smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nc(CN3CCC[C@H](CCC(=O)[O-])C3)co2)cc1 ZINC000324579260 971134957 /nfs/dbraw/zinc/13/49/57/971134957.db2.gz FTJVRBGJLANJIM-OAHLLOKOSA-N -1 1 328.412 3.727 20 0 EHADMM O=C([O-])c1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1Cl ZINC000325031062 971177792 /nfs/dbraw/zinc/17/77/92/971177792.db2.gz JDLDWQMRUPTWHC-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM Cc1cc(NCc2cccc(C(=O)[O-])c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000327106712 971367528 /nfs/dbraw/zinc/36/75/28/971367528.db2.gz YIRDOUNINNNKLC-UHFFFAOYSA-N -1 1 337.335 3.762 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000043688335 948894721 /nfs/dbraw/zinc/89/47/21/948894721.db2.gz LKSIBFIZVDVRFC-JTQLQIEISA-N -1 1 332.263 3.587 20 0 EHADMM CC(C)CC[C@H](C)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001574184098 950774555 /nfs/dbraw/zinc/77/45/55/950774555.db2.gz DHABIYSNYGKKMF-VIFPVBQESA-N -1 1 328.342 3.517 20 0 EHADMM CC(C)CC[C@H](C)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001574184098 950774574 /nfs/dbraw/zinc/77/45/74/950774574.db2.gz DHABIYSNYGKKMF-VIFPVBQESA-N -1 1 328.342 3.517 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Cl)ccc2Br)C[C@@H]1C(=O)[O-] ZINC000516867031 953542247 /nfs/dbraw/zinc/54/22/47/953542247.db2.gz FQMSUXRASPGCNP-SKDRFNHKSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(-c2ncco2)cc1F)c1ccc(F)cc1 ZINC001594844825 954128146 /nfs/dbraw/zinc/12/81/46/954128146.db2.gz XKIAFRCAZOLGLY-MRXNPFEDSA-N -1 1 344.317 3.535 20 0 EHADMM O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000392125323 972412120 /nfs/dbraw/zinc/41/21/20/972412120.db2.gz ZNSZKQXFBIDHKS-MRXNPFEDSA-N -1 1 335.325 3.889 20 0 EHADMM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cccc(C(F)(F)F)c1 ZINC000392125323 972412128 /nfs/dbraw/zinc/41/21/28/972412128.db2.gz ZNSZKQXFBIDHKS-MRXNPFEDSA-N -1 1 335.325 3.889 20 0 EHADMM O=C([O-])COc1ccccc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC001231792889 960622574 /nfs/dbraw/zinc/62/25/74/960622574.db2.gz MRVVPBQQSVGMSA-QGZVFWFLSA-N -1 1 329.371 3.626 20 0 EHADMM CC(C)c1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])nn2C)cc1 ZINC001588966831 962649685 /nfs/dbraw/zinc/64/96/85/962649685.db2.gz NBFKSTKTODZXNC-GOSISDBHSA-N -1 1 327.428 3.579 20 0 EHADMM CCOc1ccc2nc(SCc3cc(C(=O)[O-])c(C)o3)[nH]c2c1 ZINC000319578396 970549712 /nfs/dbraw/zinc/54/97/12/970549712.db2.gz IEDPARXRULLUNL-UHFFFAOYSA-N -1 1 332.381 3.854 20 0 EHADMM CCN(CC)Cc1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)o1 ZINC000396615062 972922916 /nfs/dbraw/zinc/92/29/16/972922916.db2.gz IOVQIQWNVIUDFH-ZDUSSCGKSA-N -1 1 344.411 3.562 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)[nH]n1 ZINC000538009142 1032081457 /nfs/dbraw/zinc/08/14/57/1032081457.db2.gz WQILBRVLJRBCLY-SECBINFHSA-N -1 1 327.475 3.792 20 0 EHADMM O=S(=O)([N-]c1ccc(OC2CCCC2)c(F)c1)c1ccccc1 ZINC000460829647 1032083705 /nfs/dbraw/zinc/08/37/05/1032083705.db2.gz NTHHEHYZRQXTQP-UHFFFAOYSA-N -1 1 335.400 3.948 20 0 EHADMM Cc1cc(CNCc2cc(Cl)cc3c2OCC3)ccc1C(=O)[O-] ZINC000417669364 973967405 /nfs/dbraw/zinc/96/74/05/973967405.db2.gz LUFZMXCUUKSKQN-UHFFFAOYSA-N -1 1 331.799 3.571 20 0 EHADMM Cc1ccccc1-c1cnc(CN2CCC[C@H](CCC(=O)[O-])C2)o1 ZINC000578983431 974865695 /nfs/dbraw/zinc/86/56/95/974865695.db2.gz DHYNDGSBQPKJTD-OAHLLOKOSA-N -1 1 328.412 3.727 20 0 EHADMM CSC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000601965688 975013478 /nfs/dbraw/zinc/01/34/78/975013478.db2.gz XXRBNDJBUDNGFW-CYBMUJFWSA-N -1 1 334.268 3.947 20 0 EHADMM CC(C)c1ccc(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)c(C(=O)[O-])c1 ZINC001591962785 976550347 /nfs/dbraw/zinc/55/03/47/976550347.db2.gz QYJGQPWDFNGTMD-PIGZYNQJSA-N -1 1 341.411 3.536 20 0 EHADMM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccccc1CC(=O)[O-] ZINC000846242465 979419749 /nfs/dbraw/zinc/41/97/49/979419749.db2.gz ZKRPSCWQYYBYFA-IBGZPJMESA-N -1 1 349.434 3.538 20 0 EHADMM C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000901416741 980262989 /nfs/dbraw/zinc/26/29/89/980262989.db2.gz FTBKASRWRHDXMW-JTQLQIEISA-N -1 1 338.201 3.933 20 0 EHADMM CC[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(OC)c(OC)c1 ZINC001595301132 980436909 /nfs/dbraw/zinc/43/69/09/980436909.db2.gz WOFBOSJPPRSELS-SIJIIQCFSA-N -1 1 345.395 3.636 20 0 EHADMM C[C@@H]1C[C@H]1c1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)o1 ZINC000901933182 980637524 /nfs/dbraw/zinc/63/75/24/980637524.db2.gz ZJVQLKLUIYHHJG-BXUZGUMPSA-N -1 1 346.452 3.937 20 0 EHADMM CO[C@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C(=O)[O-])C1 ZINC000902031593 980701910 /nfs/dbraw/zinc/70/19/10/980701910.db2.gz KJDUEDHTZUAOPL-HOCLYGCPSA-N -1 1 349.814 3.664 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000902110786 980739596 /nfs/dbraw/zinc/73/95/96/980739596.db2.gz FIOUUTOBYCYQAZ-SECBINFHSA-N -1 1 325.311 3.738 20 0 EHADMM COCCSc1ccc([C@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000902232027 980793169 /nfs/dbraw/zinc/79/31/69/980793169.db2.gz UNWGWANSJKFLPD-LBPRGKRZSA-N -1 1 335.425 3.567 20 0 EHADMM Cc1oc(CNCc2ccc(C)c(Br)c2)cc1C(=O)[O-] ZINC000902356741 980850474 /nfs/dbraw/zinc/85/04/74/980850474.db2.gz VGQSOYFZUGZOCS-UHFFFAOYSA-N -1 1 338.201 3.647 20 0 EHADMM CCC1(CC)CCN([C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001595375172 980892781 /nfs/dbraw/zinc/89/27/81/980892781.db2.gz VWPYOSATQRUOPC-GFCCVEGCSA-N -1 1 338.473 3.594 20 0 EHADMM O=C([O-])c1cncc(CN2CCC(Cc3c(F)cccc3F)CC2)c1 ZINC000903907489 981032947 /nfs/dbraw/zinc/03/29/47/981032947.db2.gz OETRKWWZTFREBK-UHFFFAOYSA-N -1 1 346.377 3.513 20 0 EHADMM C[C@@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1cc2ccccc2o1 ZINC000905798021 981156176 /nfs/dbraw/zinc/15/61/76/981156176.db2.gz YQLWSCANDGFDEO-DGCLKSJQSA-N -1 1 325.368 3.513 20 0 EHADMM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 ZINC001594759610 981688279 /nfs/dbraw/zinc/68/82/79/981688279.db2.gz PBJPRCZDPXCHQX-CQSZACIVSA-N -1 1 343.427 3.735 20 0 EHADMM CCCC[C@H](NC(=O)c1cc(Cl)c2ccccc2c1O)C(=O)[O-] ZINC001595636343 981915454 /nfs/dbraw/zinc/91/54/54/981915454.db2.gz NOJDZVODIINOFV-AWEZNQCLSA-N -1 1 335.787 3.572 20 0 EHADMM CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC001594859398 982129974 /nfs/dbraw/zinc/12/99/74/982129974.db2.gz PPPPUNDIBAXKKA-HXUWFJFHSA-N -1 1 345.414 3.687 20 0 EHADMM CCCCCCN(C)CC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910947800 982172535 /nfs/dbraw/zinc/17/25/35/982172535.db2.gz NJWRLBIFGWBPRT-UHFFFAOYSA-N -1 1 338.473 3.557 20 0 EHADMM CC1(C)CCCN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001120361749 983027249 /nfs/dbraw/zinc/02/72/49/983027249.db2.gz BYEYSYYNJNABFR-UHFFFAOYSA-N -1 1 326.234 3.769 20 0 EHADMM C[C@H](NCc1occc1C(=O)[O-])c1ccc(F)c(Br)c1 ZINC001599901403 984836125 /nfs/dbraw/zinc/83/61/25/984836125.db2.gz GUTRQIBSYBISGT-QMMMGPOBSA-N -1 1 342.164 3.730 20 0 EHADMM C[C@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccc(F)cc1F ZINC001599901578 984841484 /nfs/dbraw/zinc/84/14/84/984841484.db2.gz OCRRWIMJUDJASO-LBPRGKRZSA-N -1 1 331.362 3.932 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC001599942735 985474957 /nfs/dbraw/zinc/47/49/57/985474957.db2.gz BSFBEQHFTVUPNK-UGSOOPFHSA-N -1 1 340.423 3.642 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC[C@H](C3CCC3)CC2)c(C)c1C(=O)[O-] ZINC001599943601 985488078 /nfs/dbraw/zinc/48/80/78/985488078.db2.gz CKAROLLQOCWNJY-ZBFHGGJFSA-N -1 1 346.471 3.803 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001594499850 985669171 /nfs/dbraw/zinc/66/91/71/985669171.db2.gz FXPUDMZVAGNTBC-PXAZEXFGSA-N -1 1 331.799 3.749 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC001599961554 985791292 /nfs/dbraw/zinc/79/12/92/985791292.db2.gz UONXDWMSARSDSY-LBPRGKRZSA-N -1 1 336.391 3.708 20 0 EHADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc2ccccc2[nH]1 ZINC001594567351 986360685 /nfs/dbraw/zinc/36/06/85/986360685.db2.gz DTAMKBXZLZOFRR-OAHLLOKOSA-N -1 1 349.434 3.577 20 0 EHADMM CCc1[nH]c(CN2C[C@H](C)C[C@@H]2c2ccccc2F)cc1C(=O)[O-] ZINC001597384258 987587228 /nfs/dbraw/zinc/58/72/28/987587228.db2.gz ISXBXHXUZYKUDZ-KZULUSFZSA-N -1 1 330.403 3.998 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(OC)c(Cl)c1 ZINC001597761819 989193515 /nfs/dbraw/zinc/19/35/15/989193515.db2.gz XDSNJMCARWDEHH-UHFFFAOYSA-N -1 1 337.803 3.834 20 0 EHADMM CCn1cc([C@@H](C)N[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC001597882545 989713653 /nfs/dbraw/zinc/71/36/53/989713653.db2.gz QBLJRGICYIUVGY-YMTOWFKASA-N -1 1 342.226 3.686 20 0 EHADMM CN(C)Cc1ccc(NCc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC001598252139 991032364 /nfs/dbraw/zinc/03/23/64/991032364.db2.gz FCOHXHGZZCAHOU-UHFFFAOYSA-N -1 1 336.794 3.851 20 0 EHADMM CCOc1ccc([C@@H](C)NC(=O)c2ccc([O-])cc2F)cc1OCC ZINC000154626437 1015640616 /nfs/dbraw/zinc/64/06/16/1015640616.db2.gz NXDJAHFMNPJPSH-GFCCVEGCSA-N -1 1 347.386 3.820 20 0 EHADMM CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1c(Cl)cccc1C(=O)[O-] ZINC001598507125 992519499 /nfs/dbraw/zinc/51/94/99/992519499.db2.gz QABAQUOIZQHJMB-UHFFFAOYSA-N -1 1 335.835 3.691 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])cn1)C1c2ccccc2-c2ccccc21 ZINC001598515489 992612898 /nfs/dbraw/zinc/61/28/98/992612898.db2.gz JVRJRDSWOSQTIZ-UHFFFAOYSA-N -1 1 330.387 3.982 20 0 EHADMM C[N@@H+](Cc1cccc(O)c1)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001598526352 992725242 /nfs/dbraw/zinc/72/52/42/992725242.db2.gz CRKZMPHKIWFOKK-UHFFFAOYSA-N -1 1 339.313 3.741 20 0 EHADMM CN(Cc1cccc(O)c1)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001598526352 992725249 /nfs/dbraw/zinc/72/52/49/992725249.db2.gz CRKZMPHKIWFOKK-UHFFFAOYSA-N -1 1 339.313 3.741 20 0 EHADMM Cc1nc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c(C)s1 ZINC000339848063 1015749310 /nfs/dbraw/zinc/74/93/10/1015749310.db2.gz RDFANQCFKPPQLW-UHFFFAOYSA-N -1 1 338.845 3.539 20 0 EHADMM C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ccc(C(=O)[O-])o1 ZINC001593198699 994174318 /nfs/dbraw/zinc/17/43/18/994174318.db2.gz UAUBUAXOXPDHLW-VHSXEESVSA-N -1 1 325.311 3.991 20 0 EHADMM O=C(c1cncc([O-])c1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000339892878 1015841876 /nfs/dbraw/zinc/84/18/76/1015841876.db2.gz BDIUWVKXYZBGGW-HXUWFJFHSA-N -1 1 330.387 3.727 20 0 EHADMM C[C@@H](NCCOc1cccc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593271662 994605558 /nfs/dbraw/zinc/60/55/58/994605558.db2.gz KKFVAVFASOSTBX-GFCCVEGCSA-N -1 1 342.420 3.724 20 0 EHADMM C[C@H](NCCOc1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC001593272011 994607842 /nfs/dbraw/zinc/60/78/42/994607842.db2.gz ONNCMADAGTYHBT-LBPRGKRZSA-N -1 1 342.420 3.724 20 0 EHADMM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC001593303158 994731996 /nfs/dbraw/zinc/73/19/96/994731996.db2.gz DFJHHIRIBOOMSB-LLVKDONJSA-N -1 1 338.329 3.578 20 0 EHADMM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cncc([O-])c1 ZINC000339914928 1015907787 /nfs/dbraw/zinc/90/77/87/1015907787.db2.gz YHCLKBLPRKEUID-SECBINFHSA-N -1 1 337.206 3.854 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H](C)C2)c1 ZINC000016642233 1015941041 /nfs/dbraw/zinc/94/10/41/1015941041.db2.gz PCBCDLOSWXYHJW-CQSZACIVSA-N -1 1 344.484 3.565 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000339945040 1016003446 /nfs/dbraw/zinc/00/34/46/1016003446.db2.gz MQPYZWBYJKPFCU-FQEVSTJZSA-N -1 1 330.387 3.575 20 0 EHADMM C[C@@H](c1ccc(F)c(F)c1)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593693545 996145236 /nfs/dbraw/zinc/14/52/36/996145236.db2.gz NSCOJULFSQBHGS-INTQDDNPSA-N -1 1 337.288 3.611 20 0 EHADMM C[C@H](c1ccccc1Cl)N(C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001593712923 996216594 /nfs/dbraw/zinc/21/65/94/996216594.db2.gz HWZASPVKWMNWDU-GAJTVXKRSA-N -1 1 329.774 3.831 20 0 EHADMM C[C@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001593723237 996255893 /nfs/dbraw/zinc/25/58/93/996255893.db2.gz OCXDVZCEPWYJOX-LLVKDONJSA-N -1 1 349.228 3.735 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1 ZINC000180713468 1016029466 /nfs/dbraw/zinc/02/94/66/1016029466.db2.gz SGUSYAJAYLGSTL-UHFFFAOYSA-N -1 1 344.480 3.828 20 0 EHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000180743418 1016034709 /nfs/dbraw/zinc/03/47/09/1016034709.db2.gz JRGKHDLXOOZSAS-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(C/C=C/c1cccc(F)c1)CC2 ZINC001599502169 997143657 /nfs/dbraw/zinc/14/36/57/997143657.db2.gz UJYASIVNCOIIHZ-HWKANZROSA-N -1 1 341.382 3.604 20 0 EHADMM COCCN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@H](C)c1ccccc1 ZINC001599238448 997990512 /nfs/dbraw/zinc/99/05/12/997990512.db2.gz OBKKHAMVEJMFQA-AUECHBEKSA-N -1 1 329.396 3.587 20 0 EHADMM C[C@]12CCN(Cc3ccc(F)cc3C(=O)[O-])C[C@H]1C2(Cl)Cl ZINC001594088104 998023643 /nfs/dbraw/zinc/02/36/43/998023643.db2.gz OWVBLDGMLJZQGA-OCCSQVGLSA-N -1 1 332.202 3.540 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)c(C)c1 ZINC000655553676 1016209532 /nfs/dbraw/zinc/20/95/32/1016209532.db2.gz QEZSGNUOFDXTRD-UHFFFAOYSA-N -1 1 329.421 3.542 20 0 EHADMM Cc1nc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)co1 ZINC000683344844 1016284318 /nfs/dbraw/zinc/28/43/18/1016284318.db2.gz FUHINTYMZGLJTD-ZDUSSCGKSA-N -1 1 340.408 3.555 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]nc1-c1ccccc1F ZINC000182870447 1032146393 /nfs/dbraw/zinc/14/63/93/1032146393.db2.gz AFDBDDREZBWDIW-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM 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CC(C)n1cc(C2=CCCN(Cc3cccc(O)c3Cl)CC2)nn1 ZINC000449467388 1032617583 /nfs/dbraw/zinc/61/75/83/1032617583.db2.gz ATEDOOLOXPWIEP-UHFFFAOYSA-N -1 1 346.862 3.897 20 0 EHADMM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C(C)(C)C ZINC000597751030 1032650312 /nfs/dbraw/zinc/65/03/12/1032650312.db2.gz OXOCMEBHNJTWIK-LLVKDONJSA-N -1 1 343.370 3.613 20 0 EHADMM Cc1csc([C@H](C)CNC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000182609977 1017128949 /nfs/dbraw/zinc/12/89/49/1017128949.db2.gz IUKDAJUVRYZOLU-LLVKDONJSA-N -1 1 326.421 3.844 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCc2cccc(O)c21 ZINC000182918554 1017215840 /nfs/dbraw/zinc/21/58/40/1017215840.db2.gz ZVEMXEXACUPMJX-UHFFFAOYSA-N -1 1 337.297 3.710 20 0 EHADMM Cn1cnc(-c2cccc(NC(=O)c3cc4ccccc4cc3[O-])c2)n1 ZINC000183696057 1017380702 /nfs/dbraw/zinc/38/07/02/1017380702.db2.gz RQWPJNUUXVNLDC-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM Cc1ccsc1-c1nsc([N-]C(=O)c2nc(C)c(C)s2)n1 ZINC000683572591 1017442283 /nfs/dbraw/zinc/44/22/83/1017442283.db2.gz 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CCc1nnc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)s1 ZINC000345245380 1020093652 /nfs/dbraw/zinc/09/36/52/1020093652.db2.gz YNSGMGAWMWEXKU-UHFFFAOYSA-N -1 1 334.788 3.661 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3CSc4ccccc43)[nH][n-]2)s1 ZINC000345289932 1020129817 /nfs/dbraw/zinc/12/98/17/1020129817.db2.gz YINNMPRASUUJHE-LBPRGKRZSA-N -1 1 341.461 3.697 20 0 EHADMM O=C(Nc1cccc2cc[nH]c21)c1cc(Br)ccc1[O-] ZINC000548145556 1020239962 /nfs/dbraw/zinc/23/99/62/1020239962.db2.gz GWWLQXPWHXYBDJ-UHFFFAOYSA-N -1 1 331.169 3.888 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC2(CC1)C(F)(F)C2(F)F ZINC000650350186 1020855252 /nfs/dbraw/zinc/85/52/52/1020855252.db2.gz FJPDQSBJYPFCBU-UHFFFAOYSA-N -1 1 337.700 3.552 20 0 EHADMM CC(C)c1ccc2occ(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2c1 ZINC000341083850 1020960504 /nfs/dbraw/zinc/96/05/04/1020960504.db2.gz CBMMBOLFHDSGMY-UHFFFAOYSA-N -1 1 338.289 3.945 20 0 EHADMM CCCc1nc(C)c([N-]S(=O)(=O)CCc2ccccc2F)s1 ZINC000656627404 1021058614 /nfs/dbraw/zinc/05/86/14/1021058614.db2.gz 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3.539 20 0 EHADMM C[C@]1(c2ccccc2)CCCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436848246 1021291035 /nfs/dbraw/zinc/29/10/35/1021291035.db2.gz NTBDZXWVOJTELW-NRFANRHFSA-N -1 1 337.419 3.545 20 0 EHADMM CCOc1cc(-c2noc(Cc3ncccc3F)n2)cc(Cl)c1[O-] ZINC000436871694 1021313647 /nfs/dbraw/zinc/31/36/47/1021313647.db2.gz KMGNLSIHXYPQSL-UHFFFAOYSA-N -1 1 349.749 3.619 20 0 EHADMM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436911917 1021356424 /nfs/dbraw/zinc/35/64/24/1021356424.db2.gz VGYBTIZUGYMDFG-MJGOQNOKSA-N -1 1 337.419 3.651 20 0 EHADMM CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000436901035 1021365389 /nfs/dbraw/zinc/36/53/89/1021365389.db2.gz LCLADLZMMWERKC-UHFFFAOYSA-N -1 1 337.379 3.795 20 0 EHADMM C[C@@H]1CCC[C@@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000436914123 1021367590 /nfs/dbraw/zinc/36/75/90/1021367590.db2.gz KRDOTELYUUTDPB-MWLCHTKSSA-N -1 1 334.807 3.596 20 0 EHADMM C[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000436914123 1021367607 /nfs/dbraw/zinc/36/76/07/1021367607.db2.gz KRDOTELYUUTDPB-MWLCHTKSSA-N -1 1 334.807 3.596 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000436930787 1021369303 /nfs/dbraw/zinc/36/93/03/1021369303.db2.gz IKIFESAVJPBQMG-IBGZPJMESA-N -1 1 343.810 3.656 20 0 EHADMM Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c(C)c1 ZINC000436917296 1021370474 /nfs/dbraw/zinc/37/04/74/1021370474.db2.gz XDPCWCFAZYVNJF-UHFFFAOYSA-N -1 1 342.786 3.700 20 0 EHADMM Cc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c(C)c1 ZINC000436917296 1021370489 /nfs/dbraw/zinc/37/04/89/1021370489.db2.gz XDPCWCFAZYVNJF-UHFFFAOYSA-N -1 1 342.786 3.700 20 0 EHADMM O=C(CCC1CCCC1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916554 1021373931 /nfs/dbraw/zinc/37/39/31/1021373931.db2.gz UNEQOYMNLXJPTQ-UHFFFAOYSA-N -1 1 334.807 3.740 20 0 EHADMM O=C(CCC1CCCC1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916554 1021373948 /nfs/dbraw/zinc/37/39/48/1021373948.db2.gz UNEQOYMNLXJPTQ-UHFFFAOYSA-N -1 1 334.807 3.740 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000032585534 1021378094 /nfs/dbraw/zinc/37/80/94/1021378094.db2.gz GRXYWCZLRXDWSJ-UHFFFAOYSA-N -1 1 346.383 3.573 20 0 EHADMM O=C(C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21)c1ccc([O-])cc1 ZINC000436927249 1021386368 /nfs/dbraw/zinc/38/63/68/1021386368.db2.gz QMCRJHKMOOJDLX-XUVXKRRUSA-N -1 1 349.430 3.760 20 0 EHADMM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1[O-] ZINC000436942708 1021402842 /nfs/dbraw/zinc/40/28/42/1021402842.db2.gz XEYYIFVJJDOFOW-RHSMWYFYSA-N -1 1 349.789 3.835 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cnc2ccsc2c1 ZINC000439584059 1021580247 /nfs/dbraw/zinc/58/02/47/1021580247.db2.gz ZYAMMDDYIDFMMK-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM COc1cc(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)cc(Cl)c1[O-] ZINC000527487862 1033000432 /nfs/dbraw/zinc/00/04/32/1033000432.db2.gz XAJLLWUDKSRDSW-AWEZNQCLSA-N -1 1 345.826 3.992 20 0 EHADMM COc1cccc(-c2nc(C[N@@H+](CCC(=O)[O-])CC(C)C)cs2)c1 ZINC000516777944 1021733415 /nfs/dbraw/zinc/73/34/15/1021733415.db2.gz XSGNYGJXMUZLTQ-UHFFFAOYSA-N -1 1 348.468 3.751 20 0 EHADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)/C=C(/C)C(C)(C)C)CC1 ZINC000080176574 1021771582 /nfs/dbraw/zinc/77/15/82/1021771582.db2.gz UKEWKOCYUGKGHK-QXMHVHEDSA-N -1 1 336.505 3.659 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2csc(Nc3ccccc3)n2)n1 ZINC000188089367 1021813279 /nfs/dbraw/zinc/81/32/79/1021813279.db2.gz BGUPFCSOPVHQAN-UHFFFAOYSA-N -1 1 344.465 3.825 20 0 EHADMM CCc1nc(Cc2noc(-c3cc(SC)ccc3[O-])n2)cs1 ZINC000664775703 1021817928 /nfs/dbraw/zinc/81/79/28/1021817928.db2.gz WCIPZAMBCDCTBK-UHFFFAOYSA-N -1 1 333.438 3.774 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1 ZINC000073632172 1022157351 /nfs/dbraw/zinc/15/73/51/1022157351.db2.gz JKACIHJLEPTMNS-UHFFFAOYSA-N -1 1 333.453 3.931 20 0 EHADMM O=C(Nc1ccc(N2CCCCC2)cc1)c1c(F)ccc([O-])c1F ZINC000280775161 1022329202 /nfs/dbraw/zinc/32/92/02/1022329202.db2.gz NGYOTIODKZELKE-UHFFFAOYSA-N -1 1 332.350 3.913 20 0 EHADMM Cc1cc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)c(F)cc1F ZINC000473658431 1022385752 /nfs/dbraw/zinc/38/57/52/1022385752.db2.gz LRUFJYXBYISPJE-UHFFFAOYSA-N -1 1 349.287 3.616 20 0 EHADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1 ZINC000426659181 1022470487 /nfs/dbraw/zinc/47/04/87/1022470487.db2.gz CFLGBYJCDTXEBZ-GOSISDBHSA-N -1 1 334.375 3.700 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1F)Cc1ccccc1 ZINC000303705721 1022520741 /nfs/dbraw/zinc/52/07/41/1022520741.db2.gz SMTIBKADVXSMNL-UHFFFAOYSA-N -1 1 339.407 3.512 20 0 EHADMM O=c1cc(C(F)F)nc(SCc2cncn2Cc2ccccc2)[n-]1 ZINC000581972344 1022587161 /nfs/dbraw/zinc/58/71/61/1022587161.db2.gz IUQOKNPTLIPIDI-UHFFFAOYSA-N -1 1 348.378 3.657 20 0 EHADMM O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000043585515 1022715140 /nfs/dbraw/zinc/71/51/40/1022715140.db2.gz RXQVEAUZCHRWQM-GFCCVEGCSA-N -1 1 326.234 3.526 20 0 EHADMM COC(C)(C)CS(=O)(=O)[N-]c1ccccc1SC1CCCC1 ZINC000331257586 1022782717 /nfs/dbraw/zinc/78/27/17/1022782717.db2.gz DDTIJHJKEFZMLS-UHFFFAOYSA-N -1 1 343.514 3.888 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000426673752 1022891978 /nfs/dbraw/zinc/89/19/78/1022891978.db2.gz ZOBZGFZAYOOXQK-MRXNPFEDSA-N -1 1 345.443 3.646 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(F)(c2ccccn2)CC1 ZINC000579363370 1022922258 /nfs/dbraw/zinc/92/22/58/1022922258.db2.gz PMDPOEDQSSQHJH-UHFFFAOYSA-N -1 1 334.778 3.542 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000438721926 1022953017 /nfs/dbraw/zinc/95/30/17/1022953017.db2.gz KGKUVASVBIXGEZ-UHFFFAOYSA-N -1 1 339.844 3.986 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1O ZINC000438783004 1022997486 /nfs/dbraw/zinc/99/74/86/1022997486.db2.gz ZYPXDHBZQBDIKB-UHFFFAOYSA-N -1 1 345.342 3.829 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc3ccccc3o2)c1 ZINC000426780332 1023040508 /nfs/dbraw/zinc/04/05/08/1023040508.db2.gz QQNSSKNNUGIYEX-KRWDZBQOSA-N -1 1 325.364 3.747 20 0 EHADMM CCCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)cc1 ZINC000426812886 1023061904 /nfs/dbraw/zinc/06/19/04/1023061904.db2.gz SRENNXFTWWCKCM-LJQANCHMSA-N -1 1 343.423 3.790 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc3[nH]c(=O)oc32)cc(Cl)c1[O-] ZINC000426818003 1023064841 /nfs/dbraw/zinc/06/48/41/1023064841.db2.gz QTGWKWJBMSWKBA-UHFFFAOYSA-N -1 1 348.742 3.543 20 0 EHADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000506995077 1023069128 /nfs/dbraw/zinc/06/91/28/1023069128.db2.gz PDRPRJMKSVIIQE-UHFFFAOYSA-N -1 1 331.437 3.716 20 0 EHADMM CCCCOc1ccccc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000426215099 1023107822 /nfs/dbraw/zinc/10/78/22/1023107822.db2.gz IDIFOFCFECFCSL-UHFFFAOYSA-N -1 1 331.441 3.571 20 0 EHADMM O=C(Nc1cc(Br)c(F)cc1F)c1ccc([O-])cc1F ZINC000190240722 1023181387 /nfs/dbraw/zinc/18/13/87/1023181387.db2.gz QESIPKPHSIEUCJ-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c(C)s1 ZINC000295204379 1023187624 /nfs/dbraw/zinc/18/76/24/1023187624.db2.gz NXITVKKAKFZBEL-AWEZNQCLSA-N -1 1 337.466 3.670 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2Br)sc1C ZINC000091010496 1023190910 /nfs/dbraw/zinc/19/09/10/1023190910.db2.gz IYIMWMQXWJJBKK-UHFFFAOYSA-N -1 1 346.271 3.928 20 0 EHADMM COc1cccc([C@@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000507347987 1023259770 /nfs/dbraw/zinc/25/97/70/1023259770.db2.gz IZTYYDBRSLHFHD-GFCCVEGCSA-N -1 1 337.379 3.533 20 0 EHADMM O=C(NCc1ccccc1Cl)c1ccc(Br)c([O-])c1 ZINC000132858541 1023457471 /nfs/dbraw/zinc/45/74/71/1023457471.db2.gz OGNAARGGTUWEEX-UHFFFAOYSA-N -1 1 340.604 3.738 20 0 EHADMM Cc1cc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)c(C)o1 ZINC000133312929 1023485223 /nfs/dbraw/zinc/48/52/23/1023485223.db2.gz DCPRCMJUCXXTAP-VIFPVBQESA-N -1 1 338.201 3.856 20 0 EHADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(Br)c([O-])c1 ZINC000535723793 1023588124 /nfs/dbraw/zinc/58/81/24/1023588124.db2.gz TZFJZRHIZRFXQP-HNNXBMFYSA-N -1 1 346.224 3.880 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)[C@H](C)C2(C)CC2)c1 ZINC000176250633 1023921484 /nfs/dbraw/zinc/92/14/84/1023921484.db2.gz QWZDHDCMGMUIGE-CYBMUJFWSA-N -1 1 344.484 3.563 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(OCC(F)(F)F)cn1 ZINC000434359277 1023978151 /nfs/dbraw/zinc/97/81/51/1023978151.db2.gz KRKOKUIEFSTFNW-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM O=S(=O)([N-]C1CCC2(CC2(F)F)CC1)c1sccc1Cl ZINC000657195340 1023995622 /nfs/dbraw/zinc/99/56/22/1023995622.db2.gz CIRUOABBRHTLPQ-UHFFFAOYSA-N -1 1 341.832 3.648 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000172813819 1033175712 /nfs/dbraw/zinc/17/57/12/1033175712.db2.gz LFUGDDFQNLSABJ-HNNXBMFYSA-N -1 1 345.826 3.725 20 0 EHADMM O=C(Nc1ccc(Sc2nncs2)cc1)c1cc(F)ccc1[O-] ZINC000094020128 1024149186 /nfs/dbraw/zinc/14/91/86/1024149186.db2.gz PTDKSTXKDQALDO-UHFFFAOYSA-N -1 1 347.396 3.786 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)cc1 ZINC000434627534 1024227934 /nfs/dbraw/zinc/22/79/34/1024227934.db2.gz NYGZRDGXKDKSLT-UHFFFAOYSA-N -1 1 335.425 3.512 20 0 EHADMM Cc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1C ZINC000191474643 1024328704 /nfs/dbraw/zinc/32/87/04/1024328704.db2.gz FMFZPDRIEPDTAG-UHFFFAOYSA-N -1 1 330.453 3.973 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2)c1OC ZINC000277270478 1024398600 /nfs/dbraw/zinc/39/86/00/1024398600.db2.gz LKGGWONBDRZIQA-HNNXBMFYSA-N -1 1 349.814 3.663 20 0 EHADMM O=C(NCc1cccc2cc[nH]c21)c1ccc(Br)c([O-])c1 ZINC000346158629 1024460455 /nfs/dbraw/zinc/46/04/55/1024460455.db2.gz KRZBHAALRDIFLI-UHFFFAOYSA-N -1 1 345.196 3.566 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC000761279154 1033220684 /nfs/dbraw/zinc/22/06/84/1033220684.db2.gz FYOYNZUOKAAPIF-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM O=C(C[C@H]1CCc2sccc2C1=O)Nc1ccc([O-])c(F)c1F ZINC000897931329 1033229681 /nfs/dbraw/zinc/22/96/81/1033229681.db2.gz QAVOEQOZLVEPAX-MRVPVSSYSA-N -1 1 337.347 3.506 20 0 EHADMM CC[C@H](C)c1n[nH]c([C@H](C)N=c2nc(-c3ccccc3C)[n-]s2)n1 ZINC000527977123 1033230356 /nfs/dbraw/zinc/23/03/56/1033230356.db2.gz DAJBIOBLMNPZOK-JQWIXIFHSA-N -1 1 342.472 3.740 20 0 EHADMM CC[C@H](C)c1nc([C@H](C)N=c2nc(-c3ccccc3C)[n-]s2)n[nH]1 ZINC000527977123 1033230366 /nfs/dbraw/zinc/23/03/66/1033230366.db2.gz DAJBIOBLMNPZOK-JQWIXIFHSA-N -1 1 342.472 3.740 20 0 EHADMM COc1ccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)o1 ZINC001125719124 1033232289 /nfs/dbraw/zinc/23/22/89/1033232289.db2.gz IDQBHLLZASKTSJ-UHFFFAOYSA-N -1 1 335.772 3.712 20 0 EHADMM C/C=C\COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000214397656 1024829758 /nfs/dbraw/zinc/82/97/58/1024829758.db2.gz WWLYOFJJLJOAOE-ARJAWSKDSA-N -1 1 345.420 3.529 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1Cl ZINC000508031804 1024838659 /nfs/dbraw/zinc/83/86/59/1024838659.db2.gz HVKOLPOPPAFJBB-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1C ZINC000508191611 1024944872 /nfs/dbraw/zinc/94/48/72/1024944872.db2.gz CNZGPCVGAQTFKU-UHFFFAOYSA-N -1 1 341.436 3.748 20 0 EHADMM CS[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000443740010 1025040816 /nfs/dbraw/zinc/04/08/16/1025040816.db2.gz SPSORDDSOJUKHP-ZCFIWIBFSA-N -1 1 348.704 3.677 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCS[C@@H]2CCCC[C@H]21 ZINC000896892768 1025162794 /nfs/dbraw/zinc/16/27/94/1025162794.db2.gz DPJYRTHHMOJBRR-IAGOWNOFSA-N -1 1 343.448 3.751 20 0 EHADMM Cc1cc([C@H](NCc2cccc(F)c2F)C(=O)[O-])ccc1Cl ZINC000521019902 1025190939 /nfs/dbraw/zinc/19/09/39/1025190939.db2.gz QEASWBHNUPXFMH-HNNXBMFYSA-N -1 1 325.742 3.842 20 0 EHADMM Cc1cccc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)c1F ZINC000685382329 1033267504 /nfs/dbraw/zinc/26/75/04/1033267504.db2.gz OCRKUMHFKUSCFQ-UHFFFAOYSA-N -1 1 348.337 3.805 20 0 EHADMM CC[C@H](Sc1ccccc1)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505731651 1025255671 /nfs/dbraw/zinc/25/56/71/1025255671.db2.gz PUADYPBOZOWULY-INIZCTEOSA-N -1 1 345.420 3.688 20 0 EHADMM CCc1nc(SCCOc2ccc(SC)cc2)[n-]c(=O)c1C ZINC000521272684 1025307350 /nfs/dbraw/zinc/30/73/50/1025307350.db2.gz DWSWRBJEOBOKAQ-UHFFFAOYSA-N -1 1 336.482 3.946 20 0 EHADMM [O-]C(=Cc1ccsc1)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000521547835 1025466013 /nfs/dbraw/zinc/46/60/13/1025466013.db2.gz JOZBTCZXFXGNFB-UHFFFAOYSA-N -1 1 335.841 3.523 20 0 EHADMM Cc1cc(C)cc(NC(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000436241496 1025489229 /nfs/dbraw/zinc/48/92/29/1025489229.db2.gz LXJLMEMYXHZSQJ-LBPRGKRZSA-N -1 1 343.452 3.796 20 0 EHADMM CSc1n[nH]c(NC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)n1 ZINC000347138603 1025559914 /nfs/dbraw/zinc/55/99/14/1025559914.db2.gz MTELJKCVUAOIJT-QWHCGFSZSA-N -1 1 340.493 3.621 20 0 EHADMM CC(C)(C(=O)CSc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000530282844 1025594221 /nfs/dbraw/zinc/59/42/21/1025594221.db2.gz BDUNSLJGMIHQDG-UHFFFAOYSA-N -1 1 328.437 3.699 20 0 EHADMM COc1cc(C(=O)N(C)Cc2ccc(C)s2)cc(Cl)c1[O-] ZINC000442957371 1025611857 /nfs/dbraw/zinc/61/18/57/1025611857.db2.gz NMPDWNWEGFBMMR-UHFFFAOYSA-N -1 1 325.817 3.696 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000442957375 1025615427 /nfs/dbraw/zinc/61/54/27/1025615427.db2.gz NOTUUCQMMWXCJT-GXTWGEPZSA-N -1 1 325.836 3.999 20 0 EHADMM CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CCCC1 ZINC000179359160 1025673463 /nfs/dbraw/zinc/67/34/63/1025673463.db2.gz RKHODDFSJHHTTH-UHFFFAOYSA-N -1 1 334.416 3.754 20 0 EHADMM C[C@H](OCC(F)(F)F)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000896613952 1025712042 /nfs/dbraw/zinc/71/20/42/1025712042.db2.gz AKLLJBOLBCJOBI-ZETCQYMHSA-N -1 1 336.697 3.659 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000436501977 1025816865 /nfs/dbraw/zinc/81/68/65/1025816865.db2.gz CDBIZSUHSKKLPG-ZIAGYGMSSA-N -1 1 345.782 3.574 20 0 EHADMM CCOc1cc(-c2nc(-c3cccnc3OC)no2)cc(Cl)c1[O-] ZINC000443219117 1025821569 /nfs/dbraw/zinc/82/15/69/1025821569.db2.gz GIWZOAYQZZBPCO-UHFFFAOYSA-N -1 1 347.758 3.565 20 0 EHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(OC(F)F)cc1 ZINC000436525923 1025829027 /nfs/dbraw/zinc/82/90/27/1025829027.db2.gz HNUIFFGXLAWWPW-SECBINFHSA-N -1 1 325.286 3.624 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1csc2c1CCCC2 ZINC000515987477 1025837229 /nfs/dbraw/zinc/83/72/29/1025837229.db2.gz HDHHUNMFUSBYAU-UHFFFAOYSA-N -1 1 329.450 3.753 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)CSc2cc(C)ccc2C)c1 ZINC000436517383 1025848592 /nfs/dbraw/zinc/84/85/92/1025848592.db2.gz ZHBBXCRJTZQMHK-UHFFFAOYSA-N -1 1 345.420 3.526 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccco1)CC(F)(F)F ZINC000436538052 1025869560 /nfs/dbraw/zinc/86/95/60/1025869560.db2.gz IONBXDRCNFVWNP-UHFFFAOYSA-N -1 1 333.693 3.843 20 0 EHADMM COc1cc(C(=O)NC[C@@H](C)Oc2ccccc2C)cc(Cl)c1[O-] ZINC000443291206 1025886503 /nfs/dbraw/zinc/88/65/03/1025886503.db2.gz DSZAWRGWEPQLNX-GFCCVEGCSA-N -1 1 349.814 3.560 20 0 EHADMM CC(C)(NC(=O)c1cc(F)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436570788 1025899518 /nfs/dbraw/zinc/89/95/18/1025899518.db2.gz BDHSRPSAKKMILY-UHFFFAOYSA-N -1 1 348.321 3.672 20 0 EHADMM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000436568529 1025899813 /nfs/dbraw/zinc/89/98/13/1025899813.db2.gz UHTUBQLBFCZYSJ-VIFPVBQESA-N -1 1 336.722 3.536 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)c([O-])c1 ZINC000436572390 1025905207 /nfs/dbraw/zinc/90/52/07/1025905207.db2.gz FSHVPFILDJPDAF-UHFFFAOYSA-N -1 1 331.343 3.724 20 0 EHADMM CCCCn1ncc(NC(=O)c2ccc(OC)cc2[O-])c1C(C)C ZINC000436597885 1025916825 /nfs/dbraw/zinc/91/68/25/1025916825.db2.gz XHSFMZCUQMQECY-UHFFFAOYSA-N -1 1 331.416 3.773 20 0 EHADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436606557 1025938689 /nfs/dbraw/zinc/93/86/89/1025938689.db2.gz HFBWBZLEWOKSCB-UHFFFAOYSA-N -1 1 340.206 3.850 20 0 EHADMM CC(C)(C)c1nc2cc(NC(=O)C(=O)c3ccc([O-])cc3)ccc2o1 ZINC000436623357 1025974570 /nfs/dbraw/zinc/97/45/70/1025974570.db2.gz DVALGOJNPTXFIX-UHFFFAOYSA-N -1 1 338.363 3.652 20 0 EHADMM CC(C)(C)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000436672083 1026011707 /nfs/dbraw/zinc/01/17/07/1026011707.db2.gz LQEORKNZWZHRLU-KRWDZBQOSA-N -1 1 329.371 3.618 20 0 EHADMM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1c([O-])cccc1F ZINC000436678260 1026029226 /nfs/dbraw/zinc/02/92/26/1026029226.db2.gz 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COc1ccc(-c2nnc([N-]C(=O)c3ncoc3C(C)C)s2)cc1 ZINC000762644165 1121391308 /nfs/dbraw/zinc/39/13/08/1121391308.db2.gz XGNDTWLALBQOFV-UHFFFAOYSA-N -1 1 344.396 3.577 20 0 EHADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000235356306 1121398508 /nfs/dbraw/zinc/39/85/08/1121398508.db2.gz UVTMQHOCSLQZEX-GMTAPVOTSA-N -1 1 326.234 3.661 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C)c1 ZINC000055663446 1121853526 /nfs/dbraw/zinc/85/35/26/1121853526.db2.gz JGEDFCXVEXNQSD-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1F ZINC000055618948 1121854396 /nfs/dbraw/zinc/85/43/96/1121854396.db2.gz DKFUGQIEJZGGKA-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COC(C)(C)c1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000496986763 1122240576 /nfs/dbraw/zinc/24/05/76/1122240576.db2.gz QAUKPHYYNDXLKO-UHFFFAOYSA-N -1 1 349.387 3.671 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2cc(-c3ccncc3)on2)s1 ZINC000127165629 1122466228 /nfs/dbraw/zinc/46/62/28/1122466228.db2.gz MIYUZWVVIADWRX-UHFFFAOYSA-N -1 1 343.412 3.744 20 0 EHADMM O=C([O-])c1ccc2c(c1)n[nH]c2-c1nc2ccc(F)cc2n1C1CC1 ZINC000497841473 1122681036 /nfs/dbraw/zinc/68/10/36/1122681036.db2.gz OZOHAGQUIGNPRA-UHFFFAOYSA-N -1 1 336.326 3.752 20 0 EHADMM Cc1c(C(=O)Nc2cccc([O-])c2F)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000129035933 1122721112 /nfs/dbraw/zinc/72/11/12/1122721112.db2.gz OTDXPRBAIPZYLL-UHFFFAOYSA-N -1 1 330.359 3.575 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncccc1OCC(F)(F)F ZINC000129567612 1122803154 /nfs/dbraw/zinc/80/31/54/1122803154.db2.gz ISDDGRQJEKAWDG-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(OCC(F)(F)F)n1 ZINC000129591128 1122807145 /nfs/dbraw/zinc/80/71/45/1122807145.db2.gz FBVCJMVIPZGVPV-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2ccc(F)c(C(F)(F)F)c2)no1 ZINC001212481076 1129085868 /nfs/dbraw/zinc/08/58/68/1129085868.db2.gz ZATRPPCYJGZJKY-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000071415391 1122975189 /nfs/dbraw/zinc/97/51/89/1122975189.db2.gz MYDULYUTHJRPQV-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000498879329 1123097003 /nfs/dbraw/zinc/09/70/03/1123097003.db2.gz YNTJDZZJKMMOLP-IBGZPJMESA-N -1 1 333.391 3.915 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1cc(Cl)cc(Cl)c1 ZINC000132935196 1123319788 /nfs/dbraw/zinc/31/97/88/1123319788.db2.gz LXFPGVOEMONSGM-UHFFFAOYSA-N -1 1 344.219 3.824 20 0 EHADMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1c([O-])cccc1Cl ZINC000920462651 1123371490 /nfs/dbraw/zinc/37/14/90/1123371490.db2.gz GBXPEYACSWPXLZ-GFCCVEGCSA-N -1 1 338.190 3.953 20 0 EHADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)COCc1ccccc1 ZINC000920463618 1123371564 /nfs/dbraw/zinc/37/15/64/1123371564.db2.gz UKGRKTZBJWDXJT-CYBMUJFWSA-N -1 1 333.815 3.628 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)c1 ZINC000134770241 1123552496 /nfs/dbraw/zinc/55/24/96/1123552496.db2.gz BTZWWIBGFHROIL-UHFFFAOYSA-N -1 1 345.420 3.591 20 0 EHADMM CC(C)C[C@H]1CCCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000077509597 1123561019 /nfs/dbraw/zinc/56/10/19/1123561019.db2.gz SUYSGQWUGUVLHU-CQSZACIVSA-N -1 1 327.428 3.766 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)c1 ZINC000135402419 1123608889 /nfs/dbraw/zinc/60/88/89/1123608889.db2.gz CWZVOHJVNCUOHR-UHFFFAOYSA-N -1 1 345.424 3.650 20 0 EHADMM CCCc1sc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1CC ZINC000078941912 1123657290 /nfs/dbraw/zinc/65/72/90/1123657290.db2.gz CCASXTTZVSMTBP-UHFFFAOYSA-N -1 1 332.351 3.652 20 0 EHADMM O=C(Nc1ccc(Br)c2ccccc12)c1cncc([O-])c1 ZINC000136440913 1123696834 /nfs/dbraw/zinc/69/68/34/1123696834.db2.gz DKHHMAWMIUEBMH-UHFFFAOYSA-N -1 1 343.180 3.955 20 0 EHADMM CC(C)OCCOCc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080022208 1123734853 /nfs/dbraw/zinc/73/48/53/1123734853.db2.gz JTRGVMYRAGMWMQ-UHFFFAOYSA-N -1 1 347.386 3.725 20 0 EHADMM Cc1ccc(CN(CC2CC2)C(=O)c2ncc3ccccc3c2[O-])cn1 ZINC000616469045 1124006642 /nfs/dbraw/zinc/00/66/42/1124006642.db2.gz DKLUECQLPRFJNZ-UHFFFAOYSA-N -1 1 347.418 3.696 20 0 EHADMM CCCCC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(C)(C)C ZINC000734515391 1131244492 /nfs/dbraw/zinc/24/44/92/1131244492.db2.gz XVJXGUOYNMMJKO-HNNXBMFYSA-N -1 1 329.444 3.648 20 0 EHADMM C[C@H](CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000734533174 1131248519 /nfs/dbraw/zinc/24/85/19/1131248519.db2.gz PAMRNHBYVNSOHD-CQSZACIVSA-N -1 1 346.471 3.679 20 0 EHADMM O=c1cc(C(F)(F)F)nc(CNc2cccc(Cl)c2Cl)[n-]1 ZINC000090371178 1124906873 /nfs/dbraw/zinc/90/68/73/1124906873.db2.gz KPQWMGBEJREJTR-UHFFFAOYSA-N -1 1 338.116 3.708 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000618110306 1124991105 /nfs/dbraw/zinc/99/11/05/1124991105.db2.gz ZFRLMQDPFVJXJN-INIZCTEOSA-N -1 1 347.798 3.633 20 0 EHADMM COc1ccc([C@@H](NC(=O)c2cncc([O-])c2)c2ccc(C)cc2)cc1 ZINC000572545848 1125169716 /nfs/dbraw/zinc/16/97/16/1125169716.db2.gz AOTKTYMTNAPFDK-FQEVSTJZSA-N -1 1 348.402 3.624 20 0 EHADMM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C12CCC2 ZINC000619100690 1125281398 /nfs/dbraw/zinc/28/13/98/1125281398.db2.gz CIZILRGCYOATOF-CHWSQXEVSA-N -1 1 339.382 3.527 20 0 EHADMM CS[C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000619582592 1125367787 /nfs/dbraw/zinc/36/77/87/1125367787.db2.gz PCLCDAMFYHMHAY-QWRGUYRKSA-N -1 1 333.375 3.815 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCOC(C2CC2)(C2CC2)C1 ZINC000619951339 1125442863 /nfs/dbraw/zinc/44/28/63/1125442863.db2.gz GXBQAVJVCSYIPT-UHFFFAOYSA-N -1 1 337.419 3.577 20 0 EHADMM Cn1[n-]cc2c(=NC(=O)C3(c4ccccc4)CCCCCC3)ccnc1-2 ZINC001128428284 1129228666 /nfs/dbraw/zinc/22/86/66/1129228666.db2.gz OTDAHCYICNCQMO-UHFFFAOYSA-N -1 1 348.450 3.573 20 0 EHADMM O=C(/C=C/C1CCCCC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000735564694 1131361701 /nfs/dbraw/zinc/36/17/01/1131361701.db2.gz MRHDIBHWYFVXJE-RMKNXTFCSA-N -1 1 328.364 3.678 20 0 EHADMM O=S(=O)([N-]Cc1csc2ccccc12)c1sccc1F ZINC000338860063 1129559689 /nfs/dbraw/zinc/55/96/89/1129559689.db2.gz BQYOCHKPVJKFKW-UHFFFAOYSA-N -1 1 327.427 3.580 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2cc(O)ccc2Cl)CC1 ZINC000625233430 1129777823 /nfs/dbraw/zinc/77/78/23/1129777823.db2.gz VCPRIEAGQCQDRG-UHFFFAOYSA-N -1 1 345.826 3.846 20 0 EHADMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000673981859 1129931172 /nfs/dbraw/zinc/93/11/72/1129931172.db2.gz AXWRIAMBGFDMJN-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)cc1F ZINC000673982084 1129933168 /nfs/dbraw/zinc/93/31/68/1129933168.db2.gz KFLGLKWPSVPKSS-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000171329083 1130045896 /nfs/dbraw/zinc/04/58/96/1130045896.db2.gz TZGFHKNXUVRFKK-UHFFFAOYSA-N -1 1 346.235 3.941 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000171329244 1130047214 /nfs/dbraw/zinc/04/72/14/1130047214.db2.gz RZOTZWIOMHYPAY-UHFFFAOYSA-N -1 1 345.342 3.653 20 0 EHADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000674324524 1130065558 /nfs/dbraw/zinc/06/55/58/1130065558.db2.gz OBTMYWUSMBEAHM-DNVCBOLYSA-N -1 1 343.398 3.771 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)C=C[C@]2(C)CC[C@H](C)C2(C)C)n1 ZINC001128847644 1130207399 /nfs/dbraw/zinc/20/73/99/1130207399.db2.gz UCJCIDZOTCZLIN-IPNXXIGUSA-N -1 1 333.432 3.544 20 0 EHADMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc21 ZINC000728017516 1130617438 /nfs/dbraw/zinc/61/74/38/1130617438.db2.gz STXWXRBGZABKFT-UHFFFAOYSA-N -1 1 348.493 3.592 20 0 EHADMM CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360238 1130702839 /nfs/dbraw/zinc/70/28/39/1130702839.db2.gz DDOUKVOYEYSEMF-BDAKNGLRSA-N -1 1 348.226 3.549 20 0 EHADMM O=C(NC[C@H](O)c1ccc2ccccc2c1)c1c([O-])cccc1Cl ZINC000731828401 1130847136 /nfs/dbraw/zinc/84/71/36/1130847136.db2.gz LCMKIBGJYDPHLK-KRWDZBQOSA-N -1 1 341.794 3.662 20 0 EHADMM Cc1nc2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2nc1C ZINC000732309666 1130909105 /nfs/dbraw/zinc/90/91/05/1130909105.db2.gz QTHZPTJLBQTFAN-UHFFFAOYSA-N -1 1 327.771 3.858 20 0 EHADMM Cc1nonc1C(=O)[N-]c1ccccc1SCc1ccccc1 ZINC000733912980 1131170842 /nfs/dbraw/zinc/17/08/42/1131170842.db2.gz YBBYGBKEVKDDMO-UHFFFAOYSA-N -1 1 325.393 3.923 20 0 EHADMM CC(C)[C@H](NC(=O)c1cc(Br)ccc1[O-])c1ccccn1 ZINC000736508886 1131424710 /nfs/dbraw/zinc/42/47/10/1131424710.db2.gz YUBOYPIHXBBNIG-HNNXBMFYSA-N -1 1 349.228 3.677 20 0 EHADMM O=C(NC1CCC(c2ccccc2)CC1)c1cnc(C2CC2)[n-]c1=O ZINC000828198533 1131426455 /nfs/dbraw/zinc/42/64/55/1131426455.db2.gz WXDIPWBMDXUPKF-UHFFFAOYSA-N -1 1 337.423 3.516 20 0 EHADMM CCc1cc2c(COC(=O)CCC(C)(C)C)cc(=O)oc2cc1[O-] ZINC000738811320 1131484462 /nfs/dbraw/zinc/48/44/62/1131484462.db2.gz VHBGAAMYDNBAAY-UHFFFAOYSA-N -1 1 332.396 3.931 20 0 EHADMM O=C(NC[C@H](O)c1ccccc1Cl)c1cc2ccccc2cc1[O-] ZINC000740930069 1131556885 /nfs/dbraw/zinc/55/68/85/1131556885.db2.gz OONWXNWMJWSQTM-SFHVURJKSA-N -1 1 341.794 3.662 20 0 EHADMM Cc1cccc2c1CCN(c1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)C2 ZINC000742402238 1131725513 /nfs/dbraw/zinc/72/55/13/1131725513.db2.gz GUMIZLSFTJNFCQ-UHFFFAOYSA-N -1 1 346.434 3.732 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3cccc4ccncc43)no2)[n-]1 ZINC001212689445 1131899651 /nfs/dbraw/zinc/89/96/51/1131899651.db2.gz DZTICDKKHMVOTR-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3cccc4ccncc43)no2)n1 ZINC001212689445 1131899662 /nfs/dbraw/zinc/89/96/62/1131899662.db2.gz DZTICDKKHMVOTR-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1c([O-])cccc1F ZINC000743416121 1131918377 /nfs/dbraw/zinc/91/83/77/1131918377.db2.gz OCGUXXWHZVZIEW-UHFFFAOYSA-N -1 1 340.395 3.553 20 0 EHADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)Oc1cccc(Cl)c1 ZINC000743718627 1131970834 /nfs/dbraw/zinc/97/08/34/1131970834.db2.gz QGSVGABVBKOAKO-JTQLQIEISA-N -1 1 340.206 3.896 20 0 EHADMM COc1c(-c2noc(-c3ccncc3[O-])n2)cccc1C(F)(F)F ZINC001212721250 1132056006 /nfs/dbraw/zinc/05/60/06/1132056006.db2.gz FYCDXTYWADKWLT-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(c3cccc(C)c3)CC2)c1 ZINC000744846404 1132155686 /nfs/dbraw/zinc/15/56/86/1132155686.db2.gz JBUHSAFOBBKPIG-UHFFFAOYSA-N -1 1 338.403 3.721 20 0 EHADMM CSc1ccsc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744981579 1132174337 /nfs/dbraw/zinc/17/43/37/1132174337.db2.gz VDSSVQDNMKWYHO-UHFFFAOYSA-N -1 1 336.434 3.778 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)cc(Cl)c2N)c1 ZINC000745051079 1132184632 /nfs/dbraw/zinc/18/46/32/1132184632.db2.gz UZOUZKMWIAMCIW-UHFFFAOYSA-N -1 1 347.798 3.538 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)c2cccc(C)c2)c1 ZINC000745070449 1132187043 /nfs/dbraw/zinc/18/70/43/1132187043.db2.gz AFWNBQGEHQBZHU-CQSZACIVSA-N -1 1 326.392 3.793 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)c2cccc(F)c2)c1 ZINC000745364939 1132237515 /nfs/dbraw/zinc/23/75/15/1132237515.db2.gz LADHGZFDPYDRQJ-GFCCVEGCSA-N -1 1 330.355 3.623 20 0 EHADMM Cc1n[nH]cc1Nc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001174474315 1132380669 /nfs/dbraw/zinc/38/06/69/1132380669.db2.gz DIOFVQXMRNDLLT-UHFFFAOYSA-N -1 1 339.239 3.774 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccc2cc[nH]c2c1)c1ccccc1N ZINC001174754893 1132466922 /nfs/dbraw/zinc/46/69/22/1132466922.db2.gz BEBFEFNZLUXLQU-UHFFFAOYSA-N -1 1 340.408 3.529 20 0 EHADMM CC(C)(C)OCc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001174911481 1132502100 /nfs/dbraw/zinc/50/21/00/1132502100.db2.gz GNDXIPRVBIGQGL-UHFFFAOYSA-N -1 1 349.452 3.854 20 0 EHADMM Cc1[nH]nc2cc(Nc3ccc(Cl)cc3S(=O)(=O)[O-])ccc12 ZINC001175662290 1132733693 /nfs/dbraw/zinc/73/36/93/1132733693.db2.gz DFRHQXBMDCILAZ-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cc2ccccc2cc1[O-] ZINC001169581176 1132795538 /nfs/dbraw/zinc/79/55/38/1132795538.db2.gz ILFFPRRYHFDSKK-UHFFFAOYSA-N -1 1 330.343 3.639 20 0 EHADMM COC(=O)[N-]C(=S)N(c1cccc(Cl)c1)c1ccccc1N ZINC001176222406 1132879773 /nfs/dbraw/zinc/87/97/73/1132879773.db2.gz DCXPNMKEZZMIJM-UHFFFAOYSA-N -1 1 335.816 3.701 20 0 EHADMM COC(=O)Cc1ccc(Cl)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670324 1132978879 /nfs/dbraw/zinc/97/88/79/1132978879.db2.gz DOFUIFGQUQNSQB-UHFFFAOYSA-N -1 1 345.704 3.922 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ncc(F)cc2Br)c1F ZINC001176663117 1132987010 /nfs/dbraw/zinc/98/70/10/1132987010.db2.gz BKXXDVCBQCAGAC-UHFFFAOYSA-N -1 1 337.070 3.850 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCCC3CC=CC3)c2)o1 ZINC001177363096 1133060863 /nfs/dbraw/zinc/06/08/63/1133060863.db2.gz QUZWIGFADUOPQD-UHFFFAOYSA-N -1 1 325.364 3.551 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1c([O-])cccc1Cl ZINC000769651967 1133326136 /nfs/dbraw/zinc/32/61/36/1133326136.db2.gz KKVLWWRFJWOQHE-SFHVURJKSA-N -1 1 338.794 3.960 20 0 EHADMM CC(C)[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000769891218 1133364070 /nfs/dbraw/zinc/36/40/70/1133364070.db2.gz XBVBEAPZJYCWAC-HNNXBMFYSA-N -1 1 349.228 3.677 20 0 EHADMM CCOc1cc(-c2noc(-c3cccc(OC)n3)n2)cc(Cl)c1[O-] ZINC000771106963 1133511095 /nfs/dbraw/zinc/51/10/95/1133511095.db2.gz ACKYCACIBQCGPK-UHFFFAOYSA-N -1 1 347.758 3.565 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000771163683 1133513997 /nfs/dbraw/zinc/51/39/97/1133513997.db2.gz YMGHXIFSGMGLSD-UHFFFAOYSA-N -1 1 343.448 3.959 20 0 EHADMM CN(C)Cc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000772349100 1133676957 /nfs/dbraw/zinc/67/69/57/1133676957.db2.gz ZWDNHEVPASDVHO-UHFFFAOYSA-N -1 1 340.757 3.638 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(SC(F)(F)F)nc1 ZINC001183219494 1133780424 /nfs/dbraw/zinc/78/04/24/1133780424.db2.gz XKTPJGNLQLKWJN-UHFFFAOYSA-N -1 1 349.721 3.700 20 0 EHADMM Cc1cc(OS(=O)(=O)c2c[n-]nc2Cl)c(C(C)C)cc1Cl ZINC001184743169 1133986200 /nfs/dbraw/zinc/98/62/00/1133986200.db2.gz FJDVNHWPOWCJIS-UHFFFAOYSA-N -1 1 349.239 3.916 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)ncc1F)c1cc2ccccc2s1 ZINC001185425367 1134082712 /nfs/dbraw/zinc/08/27/12/1134082712.db2.gz NVGALFJCFRVNJS-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM O=C(CSc1nccc2ccccc21)Nc1nc(Cl)ccc1[O-] ZINC000788158409 1134089938 /nfs/dbraw/zinc/08/99/38/1134089938.db2.gz IOCFOCMJXQLCBH-UHFFFAOYSA-N -1 1 345.811 3.720 20 0 EHADMM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1 ZINC001185944366 1134149859 /nfs/dbraw/zinc/14/98/59/1134149859.db2.gz WFVGBDHJVMQIOQ-GFCCVEGCSA-N -1 1 329.425 3.877 20 0 EHADMM C[C@H](CCc1ccccc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC001186013776 1134158709 /nfs/dbraw/zinc/15/87/09/1134158709.db2.gz ZCRSQMNEOPHDFF-LLVKDONJSA-N -1 1 349.228 3.757 20 0 EHADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186216991 1134188504 /nfs/dbraw/zinc/18/85/04/1134188504.db2.gz GEGIFKJXEPCCIQ-UHFFFAOYSA-N -1 1 333.438 3.616 20 0 EHADMM COc1ccc(NC(=O)c2ccc([O-])cc2F)c(Br)c1 ZINC001186327577 1134196091 /nfs/dbraw/zinc/19/60/91/1134196091.db2.gz QSMCDRIBYZAJKT-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM O=C(N[C@@H]1CCc2ccc(C(F)(F)F)cc21)c1ccc([O-])cc1F ZINC001186339904 1134204471 /nfs/dbraw/zinc/20/44/71/1134204471.db2.gz RBYXSTDTQYLKJH-OAHLLOKOSA-N -1 1 339.288 3.967 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2C(F)(F)F)CCC1)c1ccco1 ZINC001186883840 1134266844 /nfs/dbraw/zinc/26/68/44/1134266844.db2.gz KHYPRJHAPWWJBX-UHFFFAOYSA-N -1 1 345.342 3.656 20 0 EHADMM Cc1oncc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1Cl ZINC001187376436 1134329054 /nfs/dbraw/zinc/32/90/54/1134329054.db2.gz NAIQRSWRQOKJOM-UHFFFAOYSA-N -1 1 341.603 3.744 20 0 EHADMM O=C(Nc1cccc(Br)c1)Nc1c([O-])cccc1F ZINC001187465496 1134337427 /nfs/dbraw/zinc/33/74/27/1134337427.db2.gz TZHRPSCIBBORMO-UHFFFAOYSA-N -1 1 325.137 3.938 20 0 EHADMM COc1ccc(NC(=O)Nc2cc(Cl)ncc2[O-])cc1Cl ZINC001188443475 1134464554 /nfs/dbraw/zinc/46/45/54/1134464554.db2.gz WMEDYLJMVMNLTA-UHFFFAOYSA-N -1 1 328.155 3.747 20 0 EHADMM Nc1ccc2c(c1)CCCN2C(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188589255 1134485377 /nfs/dbraw/zinc/48/53/77/1134485377.db2.gz OHMYHODVFMRZDG-UHFFFAOYSA-N -1 1 336.313 3.586 20 0 EHADMM CC1(C)CC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC(C)(C)C1 ZINC001188672644 1134498587 /nfs/dbraw/zinc/49/85/87/1134498587.db2.gz RICWPGBIYPTUKW-UHFFFAOYSA-N -1 1 349.418 3.987 20 0 EHADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c2ccccc21)C(F)(F)F ZINC001189406903 1134583724 /nfs/dbraw/zinc/58/37/24/1134583724.db2.gz LQJXLGQMVHGEEK-CYBMUJFWSA-N -1 1 335.322 3.598 20 0 EHADMM CCC(=C([O-])c1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1 ZINC001189567657 1134602135 /nfs/dbraw/zinc/60/21/35/1134602135.db2.gz WHLPYTXDDGRQLX-MRXNPFEDSA-N -1 1 336.840 3.916 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cc1O ZINC001189982207 1134646889 /nfs/dbraw/zinc/64/68/89/1134646889.db2.gz OABYBKBMYNDKAD-UHFFFAOYSA-N -1 1 349.305 3.659 20 0 EHADMM O=C(Nc1csc2cnccc12)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190260274 1134674454 /nfs/dbraw/zinc/67/44/54/1134674454.db2.gz ATIKBTYZEBFWIH-UHFFFAOYSA-N -1 1 348.387 3.711 20 0 EHADMM O=C([N-]c1noc2cccnc21)c1ncc(Cl)cc1C(F)(F)F ZINC001190696666 1134734664 /nfs/dbraw/zinc/73/46/64/1134734664.db2.gz LRLATNOMXIJPIM-UHFFFAOYSA-N -1 1 342.664 3.542 20 0 EHADMM O=S(=O)([N-]c1cccc(-c2ccc(F)cc2)c1)c1ccncc1 ZINC001190886975 1134763638 /nfs/dbraw/zinc/76/36/38/1134763638.db2.gz HXRHVHDYLRJCHR-UHFFFAOYSA-N -1 1 328.368 3.689 20 0 EHADMM COc1cc(C(=O)Nc2cc(C)ccc2CCCO)cc(Cl)c1[O-] ZINC001191147964 1134801925 /nfs/dbraw/zinc/80/19/25/1134801925.db2.gz CYMYGDHHMSAQSN-UHFFFAOYSA-N -1 1 349.814 3.540 20 0 EHADMM COc1cc(C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc(Cl)c1[O-] ZINC001191155250 1134802426 /nfs/dbraw/zinc/80/24/26/1134802426.db2.gz DJILLOWPVFYPIM-PWSUYJOCSA-N -1 1 325.836 3.999 20 0 EHADMM COc1cc(C(=O)N[C@@H](CC(C)C)c2ccccn2)cc(Cl)c1[O-] ZINC001191155530 1134804675 /nfs/dbraw/zinc/80/46/75/1134804675.db2.gz JWWSQXQVYWDSML-HNNXBMFYSA-N -1 1 348.830 3.966 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3=O)cc1 ZINC001191249029 1134836887 /nfs/dbraw/zinc/83/68/87/1134836887.db2.gz LLJAFJHDSHWJKX-UHFFFAOYSA-N -1 1 345.420 3.500 20 0 EHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1c(F)cc([O-])cc1F ZINC001192186096 1134975995 /nfs/dbraw/zinc/97/59/95/1134975995.db2.gz YBJSHXIQWXTYQR-UHFFFAOYSA-N -1 1 330.237 3.916 20 0 EHADMM C[C@H](O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001192361510 1135006506 /nfs/dbraw/zinc/00/65/06/1135006506.db2.gz KREOBVDBOJQQPW-VIFPVBQESA-N -1 1 325.286 3.717 20 0 EHADMM CCN(Cc1cccc(F)c1F)C(=O)c1c(F)ccc([O-])c1F ZINC001192539823 1135032339 /nfs/dbraw/zinc/03/23/39/1135032339.db2.gz JWVVDMWJQCGFAM-UHFFFAOYSA-N -1 1 327.277 3.611 20 0 EHADMM CCN(C(=O)c1cc([O-])cc(F)c1F)[C@H](C)Cc1ccc(OC)cc1 ZINC001192651225 1135040138 /nfs/dbraw/zinc/04/01/38/1135040138.db2.gz BVHNBCYASFPPEW-GFCCVEGCSA-N -1 1 349.377 3.772 20 0 EHADMM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cc([O-])cc(F)c1F ZINC001192679371 1135044568 /nfs/dbraw/zinc/04/45/68/1135044568.db2.gz SPCUQLOVXDUQBM-UHFFFAOYSA-N -1 1 337.753 3.785 20 0 EHADMM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cccnc1Oc1ccccc1 ZINC001192706578 1135050058 /nfs/dbraw/zinc/05/00/58/1135050058.db2.gz RBDANXYDOZSSTM-UHFFFAOYSA-N -1 1 346.346 3.708 20 0 EHADMM O=S(=O)([N-]c1cnccc1F)c1cccc2c(Cl)cccc21 ZINC001194412764 1135266707 /nfs/dbraw/zinc/26/67/07/1135266707.db2.gz IOOUQPJOHNCFLA-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM CC(=O)n1ccc2cc([N-]S(=O)(=O)c3c(C)cccc3C)ccc21 ZINC001194643775 1135296314 /nfs/dbraw/zinc/29/63/14/1135296314.db2.gz NHXSTIAPBNWBJX-UHFFFAOYSA-N -1 1 342.420 3.719 20 0 EHADMM O=C([N-]c1nnc(-c2ccco2)o1)c1cc(Cl)c(Cl)s1 ZINC001195168946 1135386438 /nfs/dbraw/zinc/38/64/38/1135386438.db2.gz AVXAQTYFMXNSGR-UHFFFAOYSA-N -1 1 330.152 3.950 20 0 EHADMM Cc1ccc([O-])c(C(=O)N2CCC(n3ccc4ccccc43)CC2)n1 ZINC001195323566 1135405610 /nfs/dbraw/zinc/40/56/10/1135405610.db2.gz KXDRGJXGCCAMEN-UHFFFAOYSA-N -1 1 335.407 3.528 20 0 EHADMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc([O-])cnc1Cl ZINC001195313289 1135411540 /nfs/dbraw/zinc/41/15/40/1135411540.db2.gz WTLTVQLZEPOBMA-RMHZUWNSSA-N -1 1 342.826 3.753 20 0 EHADMM O=C([N-]c1nc(F)c(F)c(Cl)c1F)c1c(F)cncc1Cl ZINC001195470641 1135430233 /nfs/dbraw/zinc/43/02/33/1135430233.db2.gz HLSVEUGTTJDERZ-UHFFFAOYSA-N -1 1 340.063 3.592 20 0 EHADMM [O-]c1c(NC(=S)NCc2ccccc2)cccc1C(F)(F)F ZINC001195635818 1135445935 /nfs/dbraw/zinc/44/59/35/1135445935.db2.gz RBJDXUPUUKTKMF-UHFFFAOYSA-N -1 1 326.343 3.898 20 0 EHADMM CCCCCCOc1cccc(/C=C/c2cc(=O)n3[n-]cnc3n2)c1 ZINC000806570612 1135463254 /nfs/dbraw/zinc/46/32/54/1135463254.db2.gz FDXYNGJZEUPBEP-MDZDMXLPSA-N -1 1 338.411 3.547 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001196451838 1135568964 /nfs/dbraw/zinc/56/89/64/1135568964.db2.gz FRIAHFMITKDWAM-UHFFFAOYSA-N -1 1 348.424 3.834 20 0 EHADMM [O-]c1cc(F)c(NC(=S)NCc2ccccc2Cl)c(F)c1 ZINC001196830752 1135615626 /nfs/dbraw/zinc/61/56/26/1135615626.db2.gz MABHOUATRLBOAA-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM CC(C)Oc1c(F)ccc(C(=O)[N-]c2noc3cccnc23)c1F ZINC001196880731 1135620921 /nfs/dbraw/zinc/62/09/21/1135620921.db2.gz LQEIUMQSHDQBGX-UHFFFAOYSA-N -1 1 333.294 3.541 20 0 EHADMM O=S(=O)(Cc1cccnc1)[N-]c1ccccc1OC1CCCCC1 ZINC001197463851 1135693928 /nfs/dbraw/zinc/69/39/28/1135693928.db2.gz GLMJKRVJBMIYKP-UHFFFAOYSA-N -1 1 346.452 3.735 20 0 EHADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cccnc1C(F)(F)F ZINC000808584084 1135696560 /nfs/dbraw/zinc/69/65/60/1135696560.db2.gz QWDATNSVUPXGJI-CLFYSBASSA-N -1 1 346.305 3.652 20 0 EHADMM Cc1nc(NC(=O)c2cc(F)cc(C(F)(F)F)c2Cl)cc(=O)[n-]1 ZINC001198139920 1135775793 /nfs/dbraw/zinc/77/57/93/1135775793.db2.gz XNABKHOYSIUUAX-UHFFFAOYSA-N -1 1 349.671 3.554 20 0 EHADMM CCOc1cc(-c2noc([C@@H]3CCO[C@H]3CC)n2)cc(Cl)c1[O-] ZINC000809466449 1135838593 /nfs/dbraw/zinc/83/85/93/1135838593.db2.gz QXBRTFVIKRVZJS-PWSUYJOCSA-N -1 1 338.791 3.777 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198870255 1135864352 /nfs/dbraw/zinc/86/43/52/1135864352.db2.gz KUYCCSHWCBBNNF-UHFFFAOYSA-N -1 1 329.377 3.826 20 0 EHADMM CN(C)c1ccc(C2CCN(C(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC000775970133 1135908510 /nfs/dbraw/zinc/90/85/10/1135908510.db2.gz AAZLOTPFAQDTQD-UHFFFAOYSA-N -1 1 342.414 3.617 20 0 EHADMM [O-]c1cc(NC(=S)Nc2ccc(-n3cccn3)cc2)c(F)cc1F ZINC001200883553 1135963252 /nfs/dbraw/zinc/96/32/52/1135963252.db2.gz IOQMCCMKGYQOLA-UHFFFAOYSA-N -1 1 346.362 3.665 20 0 EHADMM Cc1cc(C)c(Cl)c(Nc2cc(S(C)(=O)=O)ccc2[O-])c1 ZINC001201597150 1136039214 /nfs/dbraw/zinc/03/92/14/1136039214.db2.gz BLCQXGZVLMWCCI-UHFFFAOYSA-N -1 1 325.817 3.810 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnc(F)c(F)c2)c(C)c1C ZINC001201795573 1136063554 /nfs/dbraw/zinc/06/35/54/1136063554.db2.gz PTTDRHOXODBEHT-UHFFFAOYSA-N -1 1 340.395 3.703 20 0 EHADMM CCN(CCc1ccccn1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776480125 1136294092 /nfs/dbraw/zinc/29/40/92/1136294092.db2.gz PHYVVVYMAOPRHS-UHFFFAOYSA-N -1 1 338.329 3.511 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cscc2C(F)F)c1 ZINC000885595925 1136392468 /nfs/dbraw/zinc/39/24/68/1136392468.db2.gz GDRIBEYFAYDHFG-UHFFFAOYSA-N -1 1 340.347 3.993 20 0 EHADMM Cc1nn(-c2ccccc2)c(Cl)c1CN(CC(=O)[O-])CC(C)(C)C ZINC000852740170 1136482148 /nfs/dbraw/zinc/48/21/48/1136482148.db2.gz OWSRDPDDSBOMHO-UHFFFAOYSA-N -1 1 349.862 3.767 20 0 EHADMM COc1cc(NCc2cccc([O-])c2Cl)c(OC)c(C)c1OC ZINC000815140171 1136560969 /nfs/dbraw/zinc/56/09/69/1136560969.db2.gz VKNKFCMLZBHNIP-UHFFFAOYSA-N -1 1 337.803 3.992 20 0 EHADMM CCCc1nc(C)c(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)o1 ZINC000815587693 1136615625 /nfs/dbraw/zinc/61/56/25/1136615625.db2.gz QRWVTCDCEPDSFL-UHFFFAOYSA-N -1 1 346.387 3.845 20 0 EHADMM CSc1ccc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)o1 ZINC000112595133 1136639518 /nfs/dbraw/zinc/63/95/18/1136639518.db2.gz MSECZYZRMYXYFT-UHFFFAOYSA-N -1 1 335.385 3.911 20 0 EHADMM COc1ccc(-c2cc(C(=O)[N-]c3cc(C(C)(C)F)on3)no2)cc1 ZINC001135373585 1136671462 /nfs/dbraw/zinc/67/14/62/1136671462.db2.gz OTNLAKNXUOECFK-UHFFFAOYSA-N -1 1 345.330 3.795 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1nccn1C ZINC000856279864 1136772321 /nfs/dbraw/zinc/77/23/21/1136772321.db2.gz KZFVOZFVDKTGGR-QMMMGPOBSA-N -1 1 348.180 3.696 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000817105673 1136777027 /nfs/dbraw/zinc/77/70/27/1136777027.db2.gz BJQQBLPBEQFMDB-INIZCTEOSA-N -1 1 339.439 3.634 20 0 EHADMM O=C([N-][C@@H]1CCn2ccnc21)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817454031 1136807457 /nfs/dbraw/zinc/80/74/57/1136807457.db2.gz HJPCZBWIXNOJCB-LLVKDONJSA-N -1 1 346.164 3.543 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1cn[nH]c1 ZINC000857475758 1136875032 /nfs/dbraw/zinc/87/50/32/1136875032.db2.gz BVUIQCLOZFWNLE-SSDOTTSWSA-N -1 1 334.153 3.686 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000115478346 1136901339 /nfs/dbraw/zinc/90/13/39/1136901339.db2.gz CTJVZERIKARQHM-CYBMUJFWSA-N -1 1 340.537 3.860 20 0 EHADMM COc1ccc2c(=O)[n-]n(C(=O)C[C@H](C)c3cccc(OC)c3)c2c1 ZINC000819954811 1136969425 /nfs/dbraw/zinc/96/94/25/1136969425.db2.gz FNEZHNVQWIEEOP-LBPRGKRZSA-N -1 1 340.379 3.593 20 0 EHADMM Cc1cnc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c([O-])c1 ZINC001136436931 1137024108 /nfs/dbraw/zinc/02/41/08/1137024108.db2.gz PHYVBSICAFJMKE-CQSZACIVSA-N -1 1 348.349 3.504 20 0 EHADMM CC(C)COC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccco1 ZINC001136544094 1137050421 /nfs/dbraw/zinc/05/04/21/1137050421.db2.gz KLBZGFDDOJCEMX-AWEZNQCLSA-N -1 1 337.803 3.782 20 0 EHADMM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000860315622 1137054697 /nfs/dbraw/zinc/05/46/97/1137054697.db2.gz PNTRVUQHOMZHKX-SNVBAGLBSA-N -1 1 342.823 3.630 20 0 EHADMM Cc1ccc(C[C@@H](C)NC(=O)c2ncc3ccccc3c2[O-])c(C)c1 ZINC001136767532 1137110588 /nfs/dbraw/zinc/11/05/88/1137110588.db2.gz UJQPSLNNEACPRS-OAHLLOKOSA-N -1 1 334.419 3.918 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC2CC(C(F)F)C2)c1 ZINC000825011842 1137159585 /nfs/dbraw/zinc/15/95/85/1137159585.db2.gz ZPWCCKNXFGCSHD-UHFFFAOYSA-N -1 1 336.304 3.629 20 0 EHADMM CCCC[C@@H](COC)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011699 1137160142 /nfs/dbraw/zinc/16/01/42/1137160142.db2.gz UCZVYTQUGYTOHY-AWEZNQCLSA-N -1 1 346.393 3.791 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000825011154 1137161791 /nfs/dbraw/zinc/16/17/91/1137161791.db2.gz DFOMPNADSCZHNF-CABCVRRESA-N -1 1 326.362 3.774 20 0 EHADMM CSc1ccccc1[N-]C(=O)c1nc(Br)cs1 ZINC000119173866 1137163692 /nfs/dbraw/zinc/16/36/92/1137163692.db2.gz JWJHZNBPHWMYMW-UHFFFAOYSA-N -1 1 329.244 3.880 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1 ZINC001137002233 1137169712 /nfs/dbraw/zinc/16/97/12/1137169712.db2.gz IWVNXQGHNXUVNG-MAUKXSAKSA-N -1 1 337.419 3.779 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000844031719 1137193738 /nfs/dbraw/zinc/19/37/38/1137193738.db2.gz GHSDDCFBQIUKJM-HUUCEWRRSA-N -1 1 345.487 3.902 20 0 EHADMM Cc1ccncc1[C@H](C)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794571160 1137208049 /nfs/dbraw/zinc/20/80/49/1137208049.db2.gz YFHZUXWWYCONMY-NSHDSACASA-N -1 1 344.798 3.706 20 0 EHADMM COC(=O)c1csc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)c1 ZINC000865373404 1137278252 /nfs/dbraw/zinc/27/82/52/1137278252.db2.gz SVFGULUUGZWMII-UHFFFAOYSA-N -1 1 336.438 3.508 20 0 EHADMM [O-]c1cc(F)c(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c(F)c1 ZINC001144559898 1137309735 /nfs/dbraw/zinc/30/97/35/1137309735.db2.gz QKNQWVUKOYHYEX-KRWDZBQOSA-N -1 1 341.304 3.522 20 0 EHADMM Cc1ccc(CN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C2CC2)o1 ZINC000846239000 1137342878 /nfs/dbraw/zinc/34/28/78/1137342878.db2.gz OPBTUKJSUCARJE-VZUCSPMQSA-N -1 1 341.407 3.729 20 0 EHADMM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(C)c(Cl)c2)c1 ZINC001144966856 1137373952 /nfs/dbraw/zinc/37/39/52/1137373952.db2.gz MEMLDXFBWPSBCQ-UHFFFAOYSA-N -1 1 344.798 3.755 20 0 EHADMM COCc1ccc(NC(=O)c2ccccc2[O-])cc1C(F)(F)F ZINC001146304966 1137388839 /nfs/dbraw/zinc/38/88/39/1137388839.db2.gz KRAXJXXEYARQQV-UHFFFAOYSA-N -1 1 325.286 3.810 20 0 EHADMM CCCCC[C@@H](C(=O)Nc1ccc(OCc2nn[n-]n2)cc1)C(C)C ZINC001147001295 1137398010 /nfs/dbraw/zinc/39/80/10/1137398010.db2.gz ZGPQLZINNKDMBS-MRXNPFEDSA-N -1 1 345.447 3.570 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2)[n-]1 ZINC001148326521 1137422500 /nfs/dbraw/zinc/42/25/00/1137422500.db2.gz PZEZTOQKYMWTAH-UHFFFAOYSA-N -1 1 332.363 3.533 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3cccc(C(C)C)n3)cc2)[n-]1 ZINC001148326314 1137422508 /nfs/dbraw/zinc/42/25/08/1137422508.db2.gz KYCWFKLBIZHMFZ-UHFFFAOYSA-N -1 1 336.395 3.570 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)c3cc(C)cc(C)c3)cc2)[n-]1 ZINC001148340207 1137422758 /nfs/dbraw/zinc/42/27/58/1137422758.db2.gz LDKXLDOOICYQRD-MRXNPFEDSA-N -1 1 349.434 3.907 20 0 EHADMM O=C(NCCc1cc(F)ccc1F)c1ccc(C(F)(F)F)c([O-])c1 ZINC001148732317 1137432457 /nfs/dbraw/zinc/43/24/57/1137432457.db2.gz TZRLFQNKZSHHPD-UHFFFAOYSA-N -1 1 345.267 3.662 20 0 EHADMM O=C(Nc1nc2ccc(F)cc2o1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790246 1137433762 /nfs/dbraw/zinc/43/37/62/1137433762.db2.gz JPQTYPAEXRPWPS-UHFFFAOYSA-N -1 1 340.232 3.944 20 0 EHADMM O=C(NCc1n[nH]c2ccccc12)c1cccc(-c2ccccc2)c1[O-] ZINC001148870068 1137436814 /nfs/dbraw/zinc/43/68/14/1137436814.db2.gz QHDRXTLAPKQTEQ-UHFFFAOYSA-N -1 1 343.386 3.866 20 0 EHADMM CCCC1CCN(C(=O)c2cc([O-])c(Br)c(O)c2)CC1 ZINC001148989615 1137439333 /nfs/dbraw/zinc/43/93/33/1137439333.db2.gz QYIPZXFLSCTCOR-UHFFFAOYSA-N -1 1 342.233 3.513 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1cccc(C(=O)c2ccco2)c1 ZINC001171637520 1137504239 /nfs/dbraw/zinc/50/42/39/1137504239.db2.gz MXQFWJOQKQSIED-UHFFFAOYSA-N -1 1 325.295 3.608 20 0 EHADMM CC[C@@H](c1ccc(F)cc1F)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168560 1137574873 /nfs/dbraw/zinc/57/48/73/1137574873.db2.gz YASUOMPUYOVNRC-GVXVVHGQSA-N -1 1 337.288 3.611 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2C2CC2)c1 ZINC000872413965 1137579736 /nfs/dbraw/zinc/57/97/36/1137579736.db2.gz ZWMFSRRSAOZHMT-UHFFFAOYSA-N -1 1 347.436 3.520 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)NC[C@H]1CCCC(F)(F)C1 ZINC000873003081 1137587788 /nfs/dbraw/zinc/58/77/88/1137587788.db2.gz KOOWQJJDDIENDQ-NSHDSACASA-N -1 1 332.778 3.670 20 0 EHADMM CCCOc1c(CNCc2ccccc2C(=O)[O-])cccc1OCC ZINC000874045394 1137609680 /nfs/dbraw/zinc/60/96/80/1137609680.db2.gz UUHOSDGDGNGRKQ-UHFFFAOYSA-N -1 1 343.423 3.862 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N(Cc1ccccc1)CC(F)F ZINC001137077187 1137611390 /nfs/dbraw/zinc/61/13/90/1137611390.db2.gz HONITEZPLHFQRA-UHFFFAOYSA-N -1 1 342.345 3.848 20 0 EHADMM CCCNc1ccc(CNC(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC000875534575 1137634879 /nfs/dbraw/zinc/63/48/79/1137634879.db2.gz BCMTUSCDGGKOHQ-UHFFFAOYSA-N -1 1 347.846 3.867 20 0 EHADMM C[C@@H](CN(C)C(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000876394006 1137650661 /nfs/dbraw/zinc/65/06/61/1137650661.db2.gz PMXREFLDFCAETQ-ZDUSSCGKSA-N -1 1 332.831 3.991 20 0 EHADMM Cc1nc(-c2ccc(NCC(C)(C)CC(F)F)nc2)[n-]c(=O)c1C ZINC000882781991 1137834138 /nfs/dbraw/zinc/83/41/38/1137834138.db2.gz DVKCILYPBVOTAW-UHFFFAOYSA-N -1 1 336.386 3.954 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2sccc2OC(F)F)s1 ZINC000104304222 1137878135 /nfs/dbraw/zinc/87/81/35/1137878135.db2.gz HYGZWBICPQRBRP-UHFFFAOYSA-N -1 1 333.385 3.751 20 0 EHADMM Cc1cccc(NC(=O)Nc2nc(Br)ccc2[O-])c1C ZINC001202690471 1137927405 /nfs/dbraw/zinc/92/74/05/1137927405.db2.gz QNTKCKJQRVZXRZ-UHFFFAOYSA-N -1 1 336.189 3.811 20 0 EHADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@@H]1C ZINC000332037202 1137929451 /nfs/dbraw/zinc/92/94/51/1137929451.db2.gz WDILWIYQNKFINW-NXEZZACHSA-N -1 1 349.228 3.573 20 0 EHADMM CCCOc1ccc(-c2ccc(-c3noc(-c4cn[n-]n4)n3)cc2)cc1 ZINC001212799275 1137943422 /nfs/dbraw/zinc/94/34/22/1137943422.db2.gz ROTWDXHHJRNVKL-UHFFFAOYSA-N -1 1 347.378 3.978 20 0 EHADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)[C@H]1CCCC(F)(F)C1 ZINC000332667754 1137950672 /nfs/dbraw/zinc/95/06/72/1137950672.db2.gz OPUAKEQQFZIQHF-VIFPVBQESA-N -1 1 341.308 3.541 20 0 EHADMM O=C(N[C@H]1CCCc2cccnc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000885387924 1137998429 /nfs/dbraw/zinc/99/84/29/1137998429.db2.gz OGWTYGHBZWFDLD-ZDUSSCGKSA-N -1 1 336.313 3.613 20 0 EHADMM CC1(C)C[C@@H](O)c2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2O1 ZINC000885659522 1138015935 /nfs/dbraw/zinc/01/59/35/1138015935.db2.gz MIKTWECDEDYLSP-CYBMUJFWSA-N -1 1 349.333 3.517 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccnc(NC2CCC2)c1 ZINC000885679938 1138018192 /nfs/dbraw/zinc/01/81/92/1138018192.db2.gz JBXFVCDILIVLEY-UHFFFAOYSA-N -1 1 335.766 3.796 20 0 EHADMM CC(C)n1c(CNC(=O)c2ccc(Cl)c(Cl)c2)n[n-]c1=S ZINC000066639531 1138076429 /nfs/dbraw/zinc/07/64/29/1138076429.db2.gz LMRCHJUFBBMQOX-UHFFFAOYSA-N -1 1 345.255 3.758 20 0 EHADMM CC(C)n1c(CNC(=O)C[C@@H]2CCCc3ccccc32)n[n-]c1=S ZINC000066639582 1138076581 /nfs/dbraw/zinc/07/65/81/1138076581.db2.gz SKJPAYLYOPFRPX-AWEZNQCLSA-N -1 1 344.484 3.648 20 0 EHADMM CCCCOc1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066639511 1138076653 /nfs/dbraw/zinc/07/66/53/1138076653.db2.gz TXNHYBXJYDPMHZ-UHFFFAOYSA-N -1 1 348.472 3.630 20 0 EHADMM CC(C)[C@H](CC(=O)NCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000066639895 1138076801 /nfs/dbraw/zinc/07/68/01/1138076801.db2.gz HGSOKAZLXUVERT-HNNXBMFYSA-N -1 1 346.500 3.968 20 0 EHADMM CC[C@@H](CC(=O)NCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000066640429 1138076975 /nfs/dbraw/zinc/07/69/75/1138076975.db2.gz BBQPHXCTYKVKAJ-ZDUSSCGKSA-N -1 1 332.473 3.722 20 0 EHADMM COc1ccc(COCCCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000089759205 1138204870 /nfs/dbraw/zinc/20/48/70/1138204870.db2.gz QFFFOWHFZLNGNY-UHFFFAOYSA-N -1 1 349.814 3.990 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000092427999 1138228100 /nfs/dbraw/zinc/22/81/00/1138228100.db2.gz HPSPACAHLGJAJC-SJLPKXTDSA-N -1 1 337.419 3.909 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000092427994 1138228282 /nfs/dbraw/zinc/22/82/82/1138228282.db2.gz HPSPACAHLGJAJC-FUHWJXTLSA-N -1 1 337.419 3.909 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCc3c(C)cc(C)cc32)c1 ZINC000122191652 1138255631 /nfs/dbraw/zinc/25/56/31/1138255631.db2.gz JCQDIRFCCCPTPI-UHFFFAOYSA-N -1 1 338.407 3.560 20 0 EHADMM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccncc1[O-] ZINC000336888079 1138421351 /nfs/dbraw/zinc/42/13/51/1138421351.db2.gz DWCOVFUWDANMMT-UHFFFAOYSA-N -1 1 345.811 3.547 20 0 EHADMM CC(C)c1ccc(-c2nc(CN3CC[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000178896513 1139723424 /nfs/dbraw/zinc/72/34/24/1139723424.db2.gz BCFNSLAEZWQMEH-OAHLLOKOSA-N -1 1 330.453 3.840 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccccc2)CCOCC1 ZINC000179012388 1139729912 /nfs/dbraw/zinc/72/99/12/1139729912.db2.gz CWRFGPUYEZUPDN-UHFFFAOYSA-N -1 1 331.799 3.733 20 0 EHADMM CCN(CCCCC(=O)[O-])CC(=O)Nc1c(Cl)cccc1Cl ZINC000181541780 1139914065 /nfs/dbraw/zinc/91/40/65/1139914065.db2.gz HGLIKNQLACMIDP-UHFFFAOYSA-N -1 1 347.242 3.509 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2CCC[C@@H](SC)C2)cc(Cl)c1[O-] ZINC000186817597 1140223069 /nfs/dbraw/zinc/22/30/69/1140223069.db2.gz BAEZBYGSXAULJT-NWDGAFQWSA-N -1 1 343.876 3.848 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C(C)C)cc2)[n-]c1=O ZINC000188021191 1140280321 /nfs/dbraw/zinc/28/03/21/1140280321.db2.gz SPBGUBFORUBUSO-JLHYYAGUSA-N -1 1 326.396 3.631 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000267027335 1140751694 /nfs/dbraw/zinc/75/16/94/1140751694.db2.gz RAYOPYHFQONFKS-ZDUSSCGKSA-N -1 1 341.455 3.664 20 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VUOHCDXREYZUPP-UHFFFAOYSA-N -1 1 348.321 3.601 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000071977664 203156417 /nfs/dbraw/zinc/15/64/17/203156417.db2.gz AJZBBJHRWOMTQO-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM Cc1c(NCc2ccc(-c3nn[n-]n3)s2)cccc1C(F)(F)F ZINC000822121220 607311741 /nfs/dbraw/zinc/31/17/41/607311741.db2.gz BPCKOXQTNTURDV-UHFFFAOYSA-N -1 1 339.346 3.868 20 0 EHADMM CCCOc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821134022 607312456 /nfs/dbraw/zinc/31/24/56/607312456.db2.gz KQSWMQKLLJLRNO-UHFFFAOYSA-N -1 1 333.779 3.514 20 0 EHADMM CCCOc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821134022 607312457 /nfs/dbraw/zinc/31/24/57/607312457.db2.gz KQSWMQKLLJLRNO-UHFFFAOYSA-N -1 1 333.779 3.514 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(Cl)c1 ZINC000736136232 598273476 /nfs/dbraw/zinc/27/34/76/598273476.db2.gz FPIQCFXVGDBISX-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC000736136232 598273477 /nfs/dbraw/zinc/27/34/77/598273477.db2.gz FPIQCFXVGDBISX-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM CC[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736351537 598570975 /nfs/dbraw/zinc/57/09/75/598570975.db2.gz RQEVQYHPUFRPNP-NSHDSACASA-N -1 1 328.807 3.521 20 0 EHADMM CC[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736351537 598570976 /nfs/dbraw/zinc/57/09/76/598570976.db2.gz RQEVQYHPUFRPNP-NSHDSACASA-N -1 1 328.807 3.521 20 0 EHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cc(Cl)ccc1Cl ZINC000736140202 599419589 /nfs/dbraw/zinc/41/95/89/599419589.db2.gz ZTXOHPRYSCFTHB-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cc(Cl)ccc1Cl ZINC000736140202 599419593 /nfs/dbraw/zinc/41/95/93/599419593.db2.gz ZTXOHPRYSCFTHB-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM CCSc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736666904 599429811 /nfs/dbraw/zinc/42/98/11/599429811.db2.gz PGCKARUOQXUCFD-NSHDSACASA-N -1 1 326.429 3.547 20 0 EHADMM CCSc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736666904 599429814 /nfs/dbraw/zinc/42/98/14/599429814.db2.gz PGCKARUOQXUCFD-NSHDSACASA-N -1 1 326.429 3.547 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(F)cc1Br)c1ccccc1 ZINC000050510661 599759326 /nfs/dbraw/zinc/75/93/26/599759326.db2.gz IGSZXBLURHONGW-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM Cc1cc2cn[nH]c2c(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000738335256 599849628 /nfs/dbraw/zinc/84/96/28/599849628.db2.gz IFGHTEFNAIOFLM-UHFFFAOYSA-N -1 1 345.358 3.975 20 0 EHADMM Cc1c(Cl)c(CN(C[C@H](C)C(=O)[O-])C2CC2)nc2ccccc12 ZINC000738287792 599949849 /nfs/dbraw/zinc/94/98/49/599949849.db2.gz FLQCDPWTYQJEBQ-NSHDSACASA-N -1 1 332.831 3.882 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)c(OC)c1 ZINC000583757985 600049313 /nfs/dbraw/zinc/04/93/13/600049313.db2.gz OZGNCPUGYZFSGZ-KRWDZBQOSA-N -1 1 345.395 3.641 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@H](c2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738235261 600117977 /nfs/dbraw/zinc/11/79/77/600117977.db2.gz HMWSSMZXVOGDMJ-YOEHRIQHSA-N -1 1 342.439 3.888 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1cccc(C(=O)[O-])c1 ZINC000736821308 600333048 /nfs/dbraw/zinc/33/30/48/600333048.db2.gz KQUDTRSJCVOEEM-ZRGWGRIASA-N -1 1 325.408 3.735 20 0 EHADMM CC[C@](C)(NCC(=O)Nc1c(C(C)C)cccc1C(C)C)C(=O)[O-] ZINC000736864810 600560512 /nfs/dbraw/zinc/56/05/12/600560512.db2.gz YIAOLNGFBGKKSI-IBGZPJMESA-N -1 1 334.460 3.715 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000582067730 600629746 /nfs/dbraw/zinc/62/97/46/600629746.db2.gz GDPCFZUWNOQTBW-GFCCVEGCSA-N -1 1 333.359 3.721 20 0 EHADMM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000573452099 600793449 /nfs/dbraw/zinc/79/34/49/600793449.db2.gz FDRGNQMAZYMTGH-ZFWWWQNUSA-N -1 1 326.396 3.589 20 0 EHADMM Cc1ccc(-c2n[nH]c(S[C@@H](C(=O)[O-])c3ccccc3F)n2)cc1 ZINC000832907801 600835267 /nfs/dbraw/zinc/83/52/67/600835267.db2.gz MSYKRENNXVHEBQ-CQSZACIVSA-N -1 1 343.383 3.837 20 0 EHADMM Cn1cccc1[C@@H]1CCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833059797 600982767 /nfs/dbraw/zinc/98/27/67/600982767.db2.gz YAAKRSJKHVQNIY-INIZCTEOSA-N -1 1 348.830 3.593 20 0 EHADMM CC(C)(NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000087625297 600990847 /nfs/dbraw/zinc/99/08/47/600990847.db2.gz SYQIQHUTHIPAQT-UHFFFAOYSA-N -1 1 338.201 3.662 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000827134284 601506734 /nfs/dbraw/zinc/50/67/34/601506734.db2.gz PHYKKTMAMYLQTP-PBHICJAKSA-N -1 1 346.471 3.524 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(F)cc1F)c1ccccc1C(F)(F)F ZINC000833166552 601549330 /nfs/dbraw/zinc/54/93/30/601549330.db2.gz QOGRRFJAGCXZKW-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM Cc1cccc(-c2nnc([C@@H](C)N3CCC(CCC(=O)[O-])CC3)o2)c1 ZINC000832960970 601840484 /nfs/dbraw/zinc/84/04/84/601840484.db2.gz OQDHCDXJDKITNT-CQSZACIVSA-N -1 1 343.427 3.683 20 0 EHADMM CC[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000825158857 607535220 /nfs/dbraw/zinc/53/52/20/607535220.db2.gz CLPRVVWXQSTULP-OAHLLOKOSA-N -1 1 329.404 3.785 20 0 EHADMM CC[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000825158857 607535222 /nfs/dbraw/zinc/53/52/22/607535222.db2.gz CLPRVVWXQSTULP-OAHLLOKOSA-N -1 1 329.404 3.785 20 0 EHADMM COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])s2)cc1OC ZINC000563278113 601954540 /nfs/dbraw/zinc/95/45/40/601954540.db2.gz OVKNBEUNRKXMAT-AWEZNQCLSA-N -1 1 347.436 3.801 20 0 EHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000832933923 601973334 /nfs/dbraw/zinc/97/33/34/601973334.db2.gz LCFXIMXEZFRVBT-AWEZNQCLSA-N -1 1 325.195 3.612 20 0 EHADMM C[C@H]1C[C@H]1c1ccc(CNCc2ccc(CCNC(=O)[O-])cc2)o1 ZINC000739090007 602003278 /nfs/dbraw/zinc/00/32/78/602003278.db2.gz MXDCMGBFNUAHCD-SUMWQHHRSA-N -1 1 328.412 3.503 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1cc(C(=O)[O-])c(C)o1)CCC2 ZINC000563281270 602053575 /nfs/dbraw/zinc/05/35/75/602053575.db2.gz AIOQVQSMXSTQIQ-AWEZNQCLSA-N -1 1 334.441 3.815 20 0 EHADMM Cc1cc(CN2CCC[C@@H]2CC(=O)c2ccccc2)oc1C(=O)[O-] ZINC000832882716 602240655 /nfs/dbraw/zinc/24/06/55/602240655.db2.gz LYGBWGMWUPLMQR-OAHLLOKOSA-N -1 1 327.380 3.524 20 0 EHADMM COc1ccc(CN(Cc2cc(C(=O)[O-])co2)C(C)(C)C)c(OC)c1 ZINC000832313746 602326297 /nfs/dbraw/zinc/32/62/97/602326297.db2.gz ADGJAPRVRVZZMO-UHFFFAOYSA-N -1 1 347.411 3.796 20 0 EHADMM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000739032528 602730516 /nfs/dbraw/zinc/73/05/16/602730516.db2.gz ZJELDAGUVUBNIT-GFCCVEGCSA-N -1 1 334.366 3.626 20 0 EHADMM CC(C)[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1nc2ccccc2[nH]1 ZINC000824143778 603534757 /nfs/dbraw/zinc/53/47/57/603534757.db2.gz QAESDIIUCUHXFJ-MRXNPFEDSA-N -1 1 339.399 3.535 20 0 EHADMM CN(C)c1cccc([C@H]2CCCN2[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000830643392 604770385 /nfs/dbraw/zinc/77/03/85/604770385.db2.gz GCBXPYSNTNROCU-RTBURBONSA-N -1 1 342.414 3.855 20 0 EHADMM CN(C)c1cccc([C@@H]2CCCN2[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000830643388 604770631 /nfs/dbraw/zinc/77/06/31/604770631.db2.gz GCBXPYSNTNROCU-OALUTQOASA-N -1 1 342.414 3.855 20 0 EHADMM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1Cl ZINC000827716948 604985339 /nfs/dbraw/zinc/98/53/39/604985339.db2.gz CIUNMWVWOAKASX-XPTSAGLGSA-N -1 1 325.195 3.865 20 0 EHADMM CC(C)OC(=O)C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000263447277 605268433 /nfs/dbraw/zinc/26/84/33/605268433.db2.gz YFUKGWFBZXTTMR-GOSISDBHSA-N -1 1 341.407 3.557 20 0 EHADMM Clc1nsc(N[C@@H](c2ccccc2)C2CC2)c1-c1nnn[n-]1 ZINC000822591133 606445079 /nfs/dbraw/zinc/44/50/79/606445079.db2.gz RTDDSNJUNDVMCG-NSHDSACASA-N -1 1 332.820 3.540 20 0 EHADMM Clc1nsc(N[C@@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000822591133 606445080 /nfs/dbraw/zinc/44/50/80/606445080.db2.gz RTDDSNJUNDVMCG-NSHDSACASA-N -1 1 332.820 3.540 20 0 EHADMM Cc1cccc([C@@H]2CCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822299652 606458852 /nfs/dbraw/zinc/45/88/52/606458852.db2.gz QDJYJFQOPQYOJO-AWEZNQCLSA-N -1 1 340.818 3.565 20 0 EHADMM Cc1cccc([C@@H]2CCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822299652 606458854 /nfs/dbraw/zinc/45/88/54/606458854.db2.gz QDJYJFQOPQYOJO-AWEZNQCLSA-N -1 1 340.818 3.565 20 0 EHADMM COc1ccc(C)cc1CSc1cccc(F)c1-c1nn[n-]n1 ZINC000821782631 606946624 /nfs/dbraw/zinc/94/66/24/606946624.db2.gz ILWXVUKSWFLALH-UHFFFAOYSA-N -1 1 330.388 3.615 20 0 EHADMM c1cc(Oc2ccc(Sc3ccncc3)cc2)nc(-c2nnn[n-]2)c1 ZINC000826517593 607898643 /nfs/dbraw/zinc/89/86/43/607898643.db2.gz IUZPNLFKGSOTGB-UHFFFAOYSA-N -1 1 348.391 3.600 20 0 EHADMM c1cc(Oc2ccc(Sc3ccncc3)cc2)nc(-c2nn[n-]n2)c1 ZINC000826517593 607898644 /nfs/dbraw/zinc/89/86/44/607898644.db2.gz IUZPNLFKGSOTGB-UHFFFAOYSA-N -1 1 348.391 3.600 20 0 EHADMM C[C@@H]1C[C@@H]1[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000824899870 607900578 /nfs/dbraw/zinc/90/05/78/607900578.db2.gz PPVQABUWNJNGIA-AKWBHNSASA-N -1 1 340.818 3.724 20 0 EHADMM C[C@@H]1C[C@@H]1[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000824899870 607900579 /nfs/dbraw/zinc/90/05/79/607900579.db2.gz PPVQABUWNJNGIA-AKWBHNSASA-N -1 1 340.818 3.724 20 0 EHADMM CC[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825153737 608498154 /nfs/dbraw/zinc/49/81/54/608498154.db2.gz IYDUASUJZHEBRJ-ZDUSSCGKSA-N -1 1 328.397 3.545 20 0 EHADMM C(=C\[C@@H]1CCCCCN1c1cccc(-c2nnn[n-]2)n1)\c1ccccc1 ZINC001573292623 946936304 /nfs/dbraw/zinc/93/63/04/946936304.db2.gz YSYZNKMDSDKCBN-NJWFCXLTSA-N -1 1 346.438 3.724 20 0 EHADMM C(=C\[C@@H]1CCCCCN1c1cccc(-c2nn[n-]n2)n1)\c1ccccc1 ZINC001573292623 946936313 /nfs/dbraw/zinc/93/63/13/946936313.db2.gz YSYZNKMDSDKCBN-NJWFCXLTSA-N -1 1 346.438 3.724 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(F)c(Br)c2)C1 ZINC000043585417 948889890 /nfs/dbraw/zinc/88/98/90/948889890.db2.gz MDAGZTYAQMYKFE-NSHDSACASA-N -1 1 344.224 3.665 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(Br)c2)C1 ZINC000062877106 948964041 /nfs/dbraw/zinc/96/40/41/948964041.db2.gz NHETTYIYALNLTC-HNNXBMFYSA-N -1 1 344.224 3.665 20 0 EHADMM CC(=O)Nc1cccc([C@@H](C)NCc2cccc(C(=O)[O-])c2Cl)c1 ZINC000381506445 971762533 /nfs/dbraw/zinc/76/25/33/971762533.db2.gz KANFIXJQNZCXHH-LLVKDONJSA-N -1 1 346.814 3.847 20 0 EHADMM O=C([O-])c1cccc(CNCc2ccccc2OC(F)(F)F)c1 ZINC000426700223 953493465 /nfs/dbraw/zinc/49/34/65/953493465.db2.gz OYJGORGTOJDTEM-UHFFFAOYSA-N -1 1 325.286 3.573 20 0 EHADMM Cc1cc(CN(C)Cc2ccc(Br)cc2)oc1C(=O)[O-] ZINC000048882227 957468560 /nfs/dbraw/zinc/46/85/60/957468560.db2.gz SAXIYWUXEKQMTG-UHFFFAOYSA-N -1 1 338.201 3.681 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)cc1Br ZINC000126813091 958604253 /nfs/dbraw/zinc/60/42/53/958604253.db2.gz BDJVDONHAGLYDS-GFCCVEGCSA-N -1 1 346.652 3.932 20 0 EHADMM C[C@H]1CCN(Cc2ccc(Br)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000129351874 958700915 /nfs/dbraw/zinc/70/09/15/958700915.db2.gz AJEVJSHBASDCFW-ZANVPECISA-N -1 1 346.652 3.788 20 0 EHADMM O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000392125322 972411877 /nfs/dbraw/zinc/41/18/77/972411877.db2.gz ZNSZKQXFBIDHKS-INIZCTEOSA-N -1 1 335.325 3.889 20 0 EHADMM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cccc(C(F)(F)F)c1 ZINC000392125322 972411884 /nfs/dbraw/zinc/41/18/84/972411884.db2.gz ZNSZKQXFBIDHKS-INIZCTEOSA-N -1 1 335.325 3.889 20 0 EHADMM C[C@@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccc(F)cc1 ZINC001594206546 959273007 /nfs/dbraw/zinc/27/30/07/959273007.db2.gz JOMHZAFDOFGXSY-UKRRQHHQSA-N -1 1 346.402 3.571 20 0 EHADMM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000166541145 959309297 /nfs/dbraw/zinc/30/92/97/959309297.db2.gz HISAVVOKTHOOAT-UHFFFAOYSA-N -1 1 326.135 3.650 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1Br)c1ccccc1 ZINC000232424436 960266044 /nfs/dbraw/zinc/26/60/44/960266044.db2.gz DAYBKVIMIPMWQJ-LLVKDONJSA-N -1 1 334.213 3.998 20 0 EHADMM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2Br)s1 ZINC000235886558 960525269 /nfs/dbraw/zinc/52/52/69/960525269.db2.gz REKBMECGDZXCNM-UHFFFAOYSA-N -1 1 340.242 3.807 20 0 EHADMM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc(Oc2ccccc2)o1 ZINC001262157309 960789503 /nfs/dbraw/zinc/78/95/03/960789503.db2.gz ARVWXKIMUCPEDI-LBPRGKRZSA-N -1 1 329.274 3.567 20 0 EHADMM Cc1c([C@@H](C)NCc2ccc(-c3ccccc3C(=O)[O-])o2)cnn1C ZINC001332432642 961574851 /nfs/dbraw/zinc/57/48/51/961574851.db2.gz GDPXOBJUUMDSSX-GFCCVEGCSA-N -1 1 339.395 3.538 20 0 EHADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000320690415 970700075 /nfs/dbraw/zinc/70/00/75/970700075.db2.gz DOVCOAPVBDQAOM-GFCCVEGCSA-N -1 1 341.251 3.544 20 0 EHADMM Cc1cccc(CN(C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1 ZINC001605335300 973215234 /nfs/dbraw/zinc/21/52/34/973215234.db2.gz IUXXAPFWRNOJSY-QGZVFWFLSA-N -1 1 342.439 3.521 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1-c1ccccn1 ZINC000339267521 1014133031 /nfs/dbraw/zinc/13/30/31/1014133031.db2.gz AXJKMLXMLYTEFX-UHFFFAOYSA-N -1 1 338.338 3.854 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CC1 ZINC000417600340 973963341 /nfs/dbraw/zinc/96/33/41/973963341.db2.gz FZHZVQPNUFVJBZ-HNNXBMFYSA-N -1 1 339.313 3.918 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(F)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000426725863 974046272 /nfs/dbraw/zinc/04/62/72/974046272.db2.gz FQBMNAWCPOIKBY-AWEZNQCLSA-N -1 1 329.705 3.673 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc3c(c2)CCCC3)nc1C1CC1 ZINC000578489406 974855724 /nfs/dbraw/zinc/85/57/24/974855724.db2.gz WLWYRWCKCNTCLK-UHFFFAOYSA-N -1 1 336.435 3.826 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652435172 975530405 /nfs/dbraw/zinc/53/04/05/975530405.db2.gz RZAWAKWHJLVGCE-CYBMUJFWSA-N -1 1 349.814 3.847 20 0 EHADMM CCc1ccc([C@@H]2CN(Cc3ccccc3C(=O)[O-])CCO2)cc1 ZINC000652436773 975532998 /nfs/dbraw/zinc/53/29/98/975532998.db2.gz YTZJAUOCFYGLGG-IBGZPJMESA-N -1 1 325.408 3.521 20 0 EHADMM COc1cc(Cl)ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656763281 975692927 /nfs/dbraw/zinc/69/29/27/975692927.db2.gz ATJLLDLIZBIKRU-OWCLPIDISA-N -1 1 337.847 3.814 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1Cl ZINC000659802018 975892485 /nfs/dbraw/zinc/89/24/85/975892485.db2.gz NDTLSJQRFFRZBQ-OAHLLOKOSA-N -1 1 331.799 3.692 20 0 EHADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1O ZINC001591771800 975898872 /nfs/dbraw/zinc/89/88/72/975898872.db2.gz IMLVQTADFUISGN-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001591795782 976002323 /nfs/dbraw/zinc/00/23/23/976002323.db2.gz KXMUMAQDSJQYNG-KBPBESRZSA-N -1 1 328.412 3.979 20 0 EHADMM Cc1cn(-c2cccc(NCc3cccc([O-])c3Cl)c2)c(=O)[nH]1 ZINC000339379256 1014299171 /nfs/dbraw/zinc/29/91/71/1014299171.db2.gz INBDASNJHLXXNB-UHFFFAOYSA-N -1 1 329.787 3.857 20 0 EHADMM Cc1cc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc2cccnc12 ZINC000683174112 976080130 /nfs/dbraw/zinc/08/01/30/976080130.db2.gz PYICWRBNEYTLII-GOSISDBHSA-N -1 1 342.345 3.737 20 0 EHADMM CC(C)c1[nH]c(CN2CC(Cc3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC001591911299 976329557 /nfs/dbraw/zinc/32/95/57/976329557.db2.gz UDBCYUPDSJXSIO-UHFFFAOYSA-N -1 1 330.403 3.650 20 0 EHADMM CC(C)c1[nH]c(CN[C@@H]2CCOc3ccc(F)cc32)cc1C(=O)[O-] ZINC001591916828 976370480 /nfs/dbraw/zinc/37/04/80/976370480.db2.gz RYFHVAMYYYPSAE-OAHLLOKOSA-N -1 1 332.375 3.589 20 0 EHADMM CC(C)c1ccc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)c(C(=O)[O-])c1 ZINC001591962781 976550372 /nfs/dbraw/zinc/55/03/72/976550372.db2.gz QYJGQPWDFNGTMD-DIFFPNOSSA-N -1 1 341.411 3.536 20 0 EHADMM CC(C)c1ccccc1CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001591995507 976641856 /nfs/dbraw/zinc/64/18/56/976641856.db2.gz YQWPEVXGWOWLNM-UHFFFAOYSA-N -1 1 325.408 3.903 20 0 EHADMM C[C@@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc(F)cc1 ZINC001592278066 977559006 /nfs/dbraw/zinc/55/90/06/977559006.db2.gz NKJIZCSBQOGSNA-JTQLQIEISA-N -1 1 341.342 3.533 20 0 EHADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000063181285 1014481135 /nfs/dbraw/zinc/48/11/35/1014481135.db2.gz WHWGWGDCNWSMFW-UHFFFAOYSA-N -1 1 346.452 3.843 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000756350826 978699138 /nfs/dbraw/zinc/69/91/38/978699138.db2.gz QHUGKKNCMVIYOT-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM O=C([O-])CCN(Cc1ccccc1)Cc1cncc(C(F)(F)F)c1 ZINC000851706810 979573102 /nfs/dbraw/zinc/57/31/02/979573102.db2.gz ZGAAJSWJCFVAQE-UHFFFAOYSA-N -1 1 338.329 3.577 20 0 EHADMM CC[C@@H](NCC(=O)c1cc(C(=O)[O-])[nH]c1C)c1ccc(Cl)cc1 ZINC001595285965 980359859 /nfs/dbraw/zinc/35/98/59/980359859.db2.gz ARWUGUCDBCQINE-CQSZACIVSA-N -1 1 334.803 3.598 20 0 EHADMM CCCCOc1ccc(F)c([N-]c2ncn(C)n2)c1Br ZINC001211491905 1014653344 /nfs/dbraw/zinc/65/33/44/1014653344.db2.gz GYKYZJWPUAHKQM-UHFFFAOYSA-N -1 1 343.200 3.639 20 0 EHADMM CC[C@](NCc1ccc(C(F)(F)F)cn1)(C(=O)[O-])c1ccccc1 ZINC001595299586 980428600 /nfs/dbraw/zinc/42/86/00/980428600.db2.gz ZBCLJYQPPHKMEK-MRXNPFEDSA-N -1 1 338.329 3.580 20 0 EHADMM Cc1cc(CN2CCC[C@](C)(C(=O)[O-])C2)c(Br)cc1F ZINC000901697439 980453769 /nfs/dbraw/zinc/45/37/69/980453769.db2.gz FATMBQZUOIYMKH-HNNXBMFYSA-N -1 1 344.224 3.583 20 0 EHADMM COc1cccc([C@H](NCc2ccsc2C(F)(F)F)C(=O)[O-])c1 ZINC000901751305 980481439 /nfs/dbraw/zinc/48/14/39/980481439.db2.gz ICCWWWQUCHLQBW-LBPRGKRZSA-N -1 1 345.342 3.691 20 0 EHADMM Cc1ccc(-c2ccc(CN[C@H](C[C@@H]3CCCOC3)C(=O)[O-])o2)cc1 ZINC000901931678 980636416 /nfs/dbraw/zinc/63/64/16/980636416.db2.gz XJIXVWIDPTTZDA-MAUKXSAKSA-N -1 1 343.423 3.615 20 0 EHADMM CO[C@H]1CCN(Cc2ccc(-c3ccc(C)cc3)s2)[C@@H](C(=O)[O-])C1 ZINC000902032335 980703766 /nfs/dbraw/zinc/70/37/66/980703766.db2.gz LQZWXAKRKBHGJX-DOTOQJQBSA-N -1 1 345.464 3.788 20 0 EHADMM CC[C@@H](c1ccccc1)N(CC)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001595364458 980793682 /nfs/dbraw/zinc/79/36/82/980793682.db2.gz SBJXNRSCBLXJFR-SFHVURJKSA-N -1 1 340.423 3.797 20 0 EHADMM CC(C)c1ccc(CC2CCN(Cc3cc(C(=O)[O-])no3)CC2)cc1 ZINC000902364871 980854303 /nfs/dbraw/zinc/85/43/03/980854303.db2.gz UHPKMCKXPREYDZ-UHFFFAOYSA-N -1 1 342.439 3.951 20 0 EHADMM COc1ccccc1[C@@H](CC(C)C)NCc1cccc(C(=O)[O-])n1 ZINC000902388645 980867219 /nfs/dbraw/zinc/86/72/19/980867219.db2.gz WTXOSQNHQOCMGT-QGZVFWFLSA-N -1 1 328.412 3.665 20 0 EHADMM 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FTUUEOVUQDRDRB-INIZCTEOSA-N -1 1 348.468 3.656 20 0 EHADMM CC[C@](C)(C(=O)[O-])N(CC(=O)Nc1c(C)cc(C)cc1C)CC1CC1 ZINC001594778650 981779269 /nfs/dbraw/zinc/77/92/69/981779269.db2.gz XOGNBYLCRIDSLZ-HXUWFJFHSA-N -1 1 346.471 3.516 20 0 EHADMM C[C@]1(C(=O)[O-])CCN(Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)C1 ZINC000923244407 982851352 /nfs/dbraw/zinc/85/13/52/982851352.db2.gz KHMCXHLXIBETLS-SFHVURJKSA-N -1 1 336.501 3.690 20 0 EHADMM CCCN(Cc1cncc(C(=O)[O-])c1)[C@@H](C)c1ccccc1OC ZINC001595891456 982926309 /nfs/dbraw/zinc/92/63/09/982926309.db2.gz SURDSPRNXGNTBC-AWEZNQCLSA-N -1 1 328.412 3.762 20 0 EHADMM CCCc1nc(C)cc(OCc2nnc(C(C)C)s2)c1C(=O)[O-] ZINC001596089446 983412894 /nfs/dbraw/zinc/41/28/94/983412894.db2.gz GWLFRGCVPZVLIV-UHFFFAOYSA-N -1 1 335.429 3.595 20 0 EHADMM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc([O-])c(F)c1F)CCC2 ZINC000655137088 1015124381 /nfs/dbraw/zinc/12/43/81/1015124381.db2.gz KRXSNVPEBSIHCD-GFCCVEGCSA-N -1 1 333.334 3.738 20 0 EHADMM Cc1[nH]c(C(=O)CN2C[C@H](C)C[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599943895 985491193 /nfs/dbraw/zinc/49/11/93/985491193.db2.gz HEPRLZONCIFPNF-WBMJQRKESA-N -1 1 340.423 3.596 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCCC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599946171 985530541 /nfs/dbraw/zinc/53/05/41/985530541.db2.gz WPZHGKYXOCBOAG-MRXNPFEDSA-N -1 1 340.423 3.740 20 0 EHADMM O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000254976147 1015301501 /nfs/dbraw/zinc/30/15/01/1015301501.db2.gz XSLRXQOAYWAAFX-KTKRTIGZSA-N -1 1 335.404 3.619 20 0 EHADMM CC[C@@H](NCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccc(C)c(F)c1 ZINC001597291518 987378139 /nfs/dbraw/zinc/37/81/39/987378139.db2.gz JTUHYYLFDVIJIG-OAHLLOKOSA-N -1 1 346.402 3.701 20 0 EHADMM CC[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001597291650 987380390 /nfs/dbraw/zinc/38/03/90/987380390.db2.gz QIYAZBPTGDGFDV-QGZVFWFLSA-N -1 1 344.386 3.512 20 0 EHADMM CSCc1cc(F)ccc1CNCc1ccc(/C=C\C(=O)[O-])o1 ZINC001599802526 988199956 /nfs/dbraw/zinc/19/99/56/988199956.db2.gz PVNOBCCSLUOUBW-SREVYHEPSA-N -1 1 335.400 3.669 20 0 EHADMM CC(C)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CC1 ZINC000179538684 1015433727 /nfs/dbraw/zinc/43/37/27/1015433727.db2.gz HIWNLQVWIFTMDQ-UHFFFAOYSA-N -1 1 334.416 3.752 20 0 EHADMM CC(C)(C)c1ccc(CNCc2ccccc2OCC(=O)[O-])s1 ZINC001590487577 990088661 /nfs/dbraw/zinc/08/86/61/990088661.db2.gz QUNRZLCCXCBOQS-UHFFFAOYSA-N -1 1 333.453 3.799 20 0 EHADMM COc1ccccc1[C@@H](CN[C@H](C)c1cc(C(=O)[O-])co1)OC(C)C ZINC001599699449 991196363 /nfs/dbraw/zinc/19/63/63/991196363.db2.gz YRWBLJMPVNUKLY-FZKQIMNGSA-N -1 1 347.411 3.803 20 0 EHADMM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)c(Cl)c1 ZINC000426725937 1032121807 /nfs/dbraw/zinc/12/18/07/1032121807.db2.gz GCXBQIUYAAVXHB-KRWDZBQOSA-N -1 1 333.815 3.881 20 0 EHADMM CN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598517358 992633370 /nfs/dbraw/zinc/63/33/70/992633370.db2.gz FEXLVNWPVZWLML-OZMYFSDFSA-N -1 1 331.334 3.930 20 0 EHADMM CN(Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1cc(F)cc(F)c1 ZINC001598518367 992647440 /nfs/dbraw/zinc/64/74/40/992647440.db2.gz XTOLRXYHYCZKKV-UHFFFAOYSA-N -1 1 331.362 3.713 20 0 EHADMM CN(Cc1cncc(F)c1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598532756 992804306 /nfs/dbraw/zinc/80/43/06/992804306.db2.gz GGXOXKSGQYDAED-AWEZNQCLSA-N -1 1 343.185 3.785 20 0 EHADMM Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000339847289 1015741734 /nfs/dbraw/zinc/74/17/34/1015741734.db2.gz OFROSUXSCLVNLT-UHFFFAOYSA-N -1 1 333.391 3.506 20 0 EHADMM C[C@H](N[C@@H]1C[C@H](Oc2ccccc2)C1(C)C)c1ncc(C(=O)[O-])s1 ZINC001593218128 994282355 /nfs/dbraw/zinc/28/23/55/994282355.db2.gz DVTYVNPQGMGILN-GLQYFDAESA-N -1 1 346.452 3.738 20 0 EHADMM O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cncc([O-])c1 ZINC000339927968 1015963099 /nfs/dbraw/zinc/96/30/99/1015963099.db2.gz MUDKSKYGSOJPFL-UHFFFAOYSA-N -1 1 348.406 3.883 20 0 EHADMM COc1ccc(N(Cc2cccs2)C(=O)c2cncc([O-])c2)cc1 ZINC000339940354 1015993379 /nfs/dbraw/zinc/99/33/79/1015993379.db2.gz YDAFZXXGRRTUJK-UHFFFAOYSA-N -1 1 340.404 3.704 20 0 EHADMM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC001599558863 998148923 /nfs/dbraw/zinc/14/89/23/998148923.db2.gz MRBXYLYWPQSMMT-MRXNPFEDSA-N -1 1 337.778 3.745 20 0 EHADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC001594267409 999036936 /nfs/dbraw/zinc/03/69/36/999036936.db2.gz XLQXVCZLVANZDC-MDZLAQPJSA-N -1 1 334.416 3.919 20 0 EHADMM C[C@H]1CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC12CCCCC2 ZINC001594416083 999554842 /nfs/dbraw/zinc/55/48/42/999554842.db2.gz AGJHLWYBSJBCPI-HNNXBMFYSA-N -1 1 344.455 3.616 20 0 EHADMM COc1ccc2c(c1)CCN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180461334 1016899873 /nfs/dbraw/zinc/89/98/73/1016899873.db2.gz LQYUKZCCSDTICI-UHFFFAOYSA-N -1 1 337.297 3.623 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)c([O-])c1 ZINC000613598055 1016900458 /nfs/dbraw/zinc/90/04/58/1016900458.db2.gz CELKPPNJPMHHRE-UHFFFAOYSA-N -1 1 325.412 3.763 20 0 EHADMM CCc1ccc(C(=O)CCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445477123 1032243076 /nfs/dbraw/zinc/24/30/76/1032243076.db2.gz BCEZKNGYDFNAGV-UHFFFAOYSA-N -1 1 340.354 3.959 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000536901479 1032415035 /nfs/dbraw/zinc/41/50/35/1032415035.db2.gz TYFDIDGGLSTTSQ-UHFFFAOYSA-N -1 1 335.425 3.673 20 0 EHADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000151882998 1032449015 /nfs/dbraw/zinc/44/90/15/1032449015.db2.gz DYFAZUBQBQJZPE-DIFFPNOSSA-N -1 1 331.799 3.510 20 0 EHADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000172418178 1032668985 /nfs/dbraw/zinc/66/89/85/1032668985.db2.gz DECUYGSMEMGDPK-UHFFFAOYSA-N -1 1 342.823 3.678 20 0 EHADMM CCn1c(C(C)C)n[n-]c1=N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000460215107 1032681669 /nfs/dbraw/zinc/68/16/69/1032681669.db2.gz QMKGYLOHMKITEJ-DOMZBBRYSA-N -1 1 336.867 3.685 20 0 EHADMM CCc1csc(CC2CCN(C(=O)c3cc(F)ccc3[O-])CC2)n1 ZINC000655262005 1017516828 /nfs/dbraw/zinc/51/68/28/1017516828.db2.gz NZGBEWFIYMGWCH-UHFFFAOYSA-N -1 1 348.443 3.645 20 0 EHADMM COc1ccc2c(ccn2Cc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000683591785 1017553615 /nfs/dbraw/zinc/55/36/15/1017553615.db2.gz ATVZXUJCCTZNOF-UHFFFAOYSA-N -1 1 339.326 3.593 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccn(-c4cccc(F)c4)n3)n2)c(F)c1 ZINC000683591811 1017554164 /nfs/dbraw/zinc/55/41/64/1017554164.db2.gz BHNWXXJVNVORLG-UHFFFAOYSA-N -1 1 340.289 3.573 20 0 EHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000545367375 1017668918 /nfs/dbraw/zinc/66/89/18/1017668918.db2.gz JSCAWCQNAUQQHW-UHFFFAOYSA-N -1 1 349.477 3.675 20 0 EHADMM COCC1(C(=O)[O-])CCN([C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000574093654 1032716044 /nfs/dbraw/zinc/71/60/44/1032716044.db2.gz PSQWUKVNMBUJAE-LLVKDONJSA-N -1 1 346.254 3.868 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000377394520 1017747950 /nfs/dbraw/zinc/74/79/50/1017747950.db2.gz BLNKOJIJENYSEA-SECBINFHSA-N -1 1 339.288 3.578 20 0 EHADMM CCc1[nH]nc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1C ZINC000683715992 1018139241 /nfs/dbraw/zinc/13/92/41/1018139241.db2.gz AXAWCQABJKFWAQ-UHFFFAOYSA-N -1 1 348.255 3.529 20 0 EHADMM CCC[C@H](C)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000500945982 1018729670 /nfs/dbraw/zinc/72/96/70/1018729670.db2.gz FIMDFRWJDVTNJU-QMMMGPOBSA-N -1 1 342.262 3.697 20 0 EHADMM O=C(NCc1csc(Br)c1)c1c([O-])cccc1Cl ZINC000049475770 1019105882 /nfs/dbraw/zinc/10/58/82/1019105882.db2.gz ZAXWBBANDQTXQL-UHFFFAOYSA-N -1 1 346.633 3.800 20 0 EHADMM CC(F)(F)C(C)(C)[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000656186429 1019126544 /nfs/dbraw/zinc/12/65/44/1019126544.db2.gz YTHNGJHEFUQTAI-UHFFFAOYSA-N -1 1 346.226 3.847 20 0 EHADMM CC[C@@H](C)Oc1cc(C)ccc1CN=c1[n-]c(C(=O)OC)c(C)s1 ZINC000433762832 1019591458 /nfs/dbraw/zinc/59/14/58/1019591458.db2.gz BHCDAVRJNIGJQE-GFCCVEGCSA-N -1 1 348.468 3.758 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c(Cl)cc1F ZINC000760311610 1032844384 /nfs/dbraw/zinc/84/43/84/1032844384.db2.gz SGQOGURTNKDWQU-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM CCOc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1C ZINC000340728226 1019650488 /nfs/dbraw/zinc/65/04/88/1019650488.db2.gz QDQMRUDJOSLUQN-UHFFFAOYSA-N -1 1 342.420 3.743 20 0 EHADMM CCOC(=O)c1sc(/C=C\c2cc(F)c([O-])c(F)c2)nc1C ZINC000255661389 1019794606 /nfs/dbraw/zinc/79/46/06/1019794606.db2.gz IOXAUHUGTJWJAR-PLNGDYQASA-N -1 1 325.336 3.782 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CSc4ccccc43)[nH][n-]2)s1 ZINC000345289931 1020130125 /nfs/dbraw/zinc/13/01/25/1020130125.db2.gz YINNMPRASUUJHE-GFCCVEGCSA-N -1 1 341.461 3.697 20 0 EHADMM CCc1cc(=O)c2cc(NC(=O)c3cc([O-])ccc3Cl)ccc2[nH]1 ZINC000345565495 1020345230 /nfs/dbraw/zinc/34/52/30/1020345230.db2.gz HVBPHOIKJFDHPI-UHFFFAOYSA-N -1 1 342.782 3.702 20 0 EHADMM COc1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c([O-])c1 ZINC000280429644 1020392865 /nfs/dbraw/zinc/39/28/65/1020392865.db2.gz BTSXSESHNRBNKN-UHFFFAOYSA-N -1 1 337.379 3.718 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000096695252 1020570933 /nfs/dbraw/zinc/57/09/33/1020570933.db2.gz JMIIHPDKWMPAJH-UHFFFAOYSA-N -1 1 330.434 3.919 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)c3cccc(C)c3)[nH][n-]2)s1 ZINC000606931338 1032918245 /nfs/dbraw/zinc/91/82/45/1032918245.db2.gz QLUZVJIJMOULIE-ZDUSSCGKSA-N -1 1 325.437 3.919 20 0 EHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000341035797 1020894457 /nfs/dbraw/zinc/89/44/57/1020894457.db2.gz FGBTZKXLLCKWIC-ONEGZZNKSA-N -1 1 348.399 3.618 20 0 EHADMM O=C([O-])C[C@@H](NCc1cccc(OC2CC2)c1F)c1ccsc1 ZINC000656564328 1020927381 /nfs/dbraw/zinc/92/73/81/1020927381.db2.gz JORMOUAAOJZPBW-CQSZACIVSA-N -1 1 335.400 3.734 20 0 EHADMM O=C(COc1cc(Cl)ccc1Cl)Nc1c([O-])cccc1F ZINC000605440040 1021141267 /nfs/dbraw/zinc/14/12/67/1021141267.db2.gz ZWMBPSLRMSPCIJ-UHFFFAOYSA-N -1 1 330.142 3.856 20 0 EHADMM O=C(c1cc(Cl)cs1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000760441369 1032957165 /nfs/dbraw/zinc/95/71/65/1032957165.db2.gz RQLWWYOWXCQXAK-UHFFFAOYSA-N -1 1 349.839 3.842 20 0 EHADMM Cc1ccc([C@@H](NC(=O)c2ccc([O-])c(F)c2)c2ccccn2)cc1 ZINC000684339383 1021165256 /nfs/dbraw/zinc/16/52/56/1021165256.db2.gz UTVFCLDLNYDFOO-LJQANCHMSA-N -1 1 336.366 3.754 20 0 EHADMM O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc([O-])cc1 ZINC000436778222 1021206696 /nfs/dbraw/zinc/20/66/96/1021206696.db2.gz QWUCMFFUHLKLSW-UHFFFAOYSA-N -1 1 345.398 3.804 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(Cl)ccc1OC(F)F ZINC000319880217 1021229688 /nfs/dbraw/zinc/22/96/88/1021229688.db2.gz JVDIKIZHQURTGE-NXEZZACHSA-N -1 1 333.762 3.627 20 0 EHADMM Cc1cc(F)ccc1C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436795123 1021240122 /nfs/dbraw/zinc/24/01/22/1021240122.db2.gz QDUJKDUOEWFKLG-UHFFFAOYSA-N -1 1 331.362 3.999 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000436823315 1021275588 /nfs/dbraw/zinc/27/55/88/1021275588.db2.gz UEGPNZJPHHINFU-UHFFFAOYSA-N -1 1 344.773 3.795 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000656758185 1021279483 /nfs/dbraw/zinc/27/94/83/1021279483.db2.gz VMWRTQRMKBYOTC-XUJVJEKNSA-N -1 1 345.336 3.788 20 0 EHADMM CC(C)Oc1ccccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656766416 1021298816 /nfs/dbraw/zinc/29/88/16/1021298816.db2.gz RMSZUMUEXGKCIG-BZSNNMDCSA-N -1 1 331.456 3.939 20 0 EHADMM Cc1ccc2[nH]c3c(c2c1)CN(CCc1ccccc1C(=O)[O-])CC3 ZINC000656765886 1021302312 /nfs/dbraw/zinc/30/23/12/1021302312.db2.gz MFPPPXUJESMBJU-UHFFFAOYSA-N -1 1 334.419 3.775 20 0 EHADMM COc1cc(OC2CC2)ccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436880166 1021328372 /nfs/dbraw/zinc/32/83/72/1021328372.db2.gz PONPDAICGJTXTA-UHFFFAOYSA-N -1 1 342.326 3.798 20 0 EHADMM Cc1cccc(CN(CC(C)C)C(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436904158 1021349466 /nfs/dbraw/zinc/34/94/66/1021349466.db2.gz KKVVWIRTHYPRFH-UHFFFAOYSA-N -1 1 325.408 3.568 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnn(-c4ccccc4F)c3)n2)cc1F ZINC000516387670 1021379318 /nfs/dbraw/zinc/37/93/18/1021379318.db2.gz LLMOHIPEQZKXKZ-UHFFFAOYSA-N -1 1 340.289 3.573 20 0 EHADMM Cc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1ccc(Cl)cc1 ZINC000436926437 1021386697 /nfs/dbraw/zinc/38/66/97/1021386697.db2.gz LJPJGEGTJLKPBX-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2cnc(-c3ccccc3)nc2)no1 ZINC000436933671 1021397726 /nfs/dbraw/zinc/39/77/26/1021397726.db2.gz QSRUGCWFDYRVBF-UHFFFAOYSA-N -1 1 334.310 3.705 20 0 EHADMM CCCOc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1OC ZINC000436944867 1021406537 /nfs/dbraw/zinc/40/65/37/1021406537.db2.gz RRWHXESMJIAZSZ-GFCCVEGCSA-N -1 1 347.386 3.820 20 0 EHADMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436964746 1021411624 /nfs/dbraw/zinc/41/16/24/1021411624.db2.gz SFBCWXZUHOOXHE-OALUTQOASA-N -1 1 337.419 3.760 20 0 EHADMM Cc1ccc([C@H](NC(=O)c2cc(F)ccc2[O-])c2ccccn2)cc1 ZINC000437001813 1021457899 /nfs/dbraw/zinc/45/78/99/1021457899.db2.gz PEIXCJDPPRSUEP-IBGZPJMESA-N -1 1 336.366 3.754 20 0 EHADMM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccccc1[O-] ZINC000437000516 1021470778 /nfs/dbraw/zinc/47/07/78/1021470778.db2.gz IGZBPPSQSHHEJJ-UHFFFAOYSA-N -1 1 333.391 3.844 20 0 EHADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(-n2cccn2)cc1 ZINC000440813023 1021805432 /nfs/dbraw/zinc/80/54/32/1021805432.db2.gz LWJKGNUMGAMHLO-GFCCVEGCSA-N -1 1 341.798 3.722 20 0 EHADMM CCc1nc(SCc2nc3ccccc3nc2C)[n-]c(=O)c1C ZINC000516878680 1021809767 /nfs/dbraw/zinc/80/97/67/1021809767.db2.gz SONHUBMZMQRZJJ-UHFFFAOYSA-N -1 1 326.425 3.597 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2c(C)cc(C)c(C(C)=O)c2C)n1 ZINC000188120880 1021832294 /nfs/dbraw/zinc/83/22/94/1021832294.db2.gz PHUZWGAPCZVVED-UHFFFAOYSA-N -1 1 330.453 3.752 20 0 EHADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440910937 1021863952 /nfs/dbraw/zinc/86/39/52/1021863952.db2.gz FDQLFMBQGQBATA-NQCMUKECSA-N -1 1 349.858 3.855 20 0 EHADMM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000520379724 1022189842 /nfs/dbraw/zinc/18/98/42/1022189842.db2.gz LQBGSYAUWMPBFT-GOSISDBHSA-N -1 1 338.794 3.960 20 0 EHADMM O=C(Nc1ccnc(Cl)c1Cl)c1ccc2cccnc2c1[O-] ZINC001149314732 1022355897 /nfs/dbraw/zinc/35/58/97/1022355897.db2.gz MZTJZMRNHOYEDU-UHFFFAOYSA-N -1 1 334.162 3.895 20 0 EHADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1C ZINC000438231707 1022492766 /nfs/dbraw/zinc/49/27/66/1022492766.db2.gz DUFPHIKEPDVWDW-UHFFFAOYSA-N -1 1 335.473 3.670 20 0 EHADMM CC(C)[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccnc1 ZINC000438234338 1022492811 /nfs/dbraw/zinc/49/28/11/1022492811.db2.gz IETSGTWYTSHEFP-GOSISDBHSA-N -1 1 336.395 3.556 20 0 EHADMM COC1CCC(Cc2noc(-c3cc(SC)ccc3[O-])n2)CC1 ZINC000664827448 1022501649 /nfs/dbraw/zinc/50/16/49/1022501649.db2.gz LNJKQRKSSWFTOL-UHFFFAOYSA-N -1 1 334.441 3.912 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccnc(C2CC2)c1 ZINC000341602269 1022515864 /nfs/dbraw/zinc/51/58/64/1022515864.db2.gz IVAJSYZZLFEUBA-UHFFFAOYSA-N -1 1 344.827 3.738 20 0 EHADMM CCC(C)(C)c1cc(NCc2cccc([O-])c2Cl)n(CCO)n1 ZINC000293191944 1022743960 /nfs/dbraw/zinc/74/39/60/1022743960.db2.gz IAVGKQBJNZIAQO-UHFFFAOYSA-N -1 1 337.851 3.534 20 0 EHADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc2O1 ZINC000517975480 1022891275 /nfs/dbraw/zinc/89/12/75/1022891275.db2.gz NFDVGWHIFMLCKA-CYBMUJFWSA-N -1 1 339.416 3.964 20 0 EHADMM CCO[C@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)C12CCCCC2 ZINC000280783688 1022931084 /nfs/dbraw/zinc/93/10/84/1022931084.db2.gz NQDQSBCVXBHSJC-KBPBESRZSA-N -1 1 339.382 3.528 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000438792296 1023007651 /nfs/dbraw/zinc/00/76/51/1023007651.db2.gz IFHDCFCOIMOKPL-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438817535 1023015794 /nfs/dbraw/zinc/01/57/94/1023015794.db2.gz ZESOLVPZWUWHNG-UHFFFAOYSA-N -1 1 331.437 3.943 20 0 EHADMM COc1ccccc1[C@H](NCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000426773259 1023037298 /nfs/dbraw/zinc/03/72/98/1023037298.db2.gz IYPQNCVMJRJPJI-HNNXBMFYSA-N -1 1 339.313 3.630 20 0 EHADMM CCCOc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000426808087 1023046355 /nfs/dbraw/zinc/04/63/55/1023046355.db2.gz QIVVOULZHMNMTM-GOSISDBHSA-N -1 1 347.386 3.539 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(OCC(C)C)c2)o1 ZINC000426797929 1023054013 /nfs/dbraw/zinc/05/40/13/1023054013.db2.gz CNWZURIOGOFMQJ-KRWDZBQOSA-N -1 1 331.412 3.928 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(OCC3CC3)cc2)o1 ZINC000426800017 1023054914 /nfs/dbraw/zinc/05/49/14/1023054914.db2.gz NCHGJORYSUZEJF-KRWDZBQOSA-N -1 1 329.396 3.682 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(OC(F)(F)F)c2)o1 ZINC000426804912 1023056840 /nfs/dbraw/zinc/05/68/40/1023056840.db2.gz XEEQLMNULUNSGZ-ZDUSSCGKSA-N -1 1 343.301 3.792 20 0 EHADMM O=C([O-])C[C@@H](NCc1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000426804947 1023057270 /nfs/dbraw/zinc/05/72/70/1023057270.db2.gz XLULNIHHHHOKAT-OAHLLOKOSA-N -1 1 325.742 3.924 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(-c3cccnc3)c2)o1 ZINC000426803497 1023057354 /nfs/dbraw/zinc/05/73/54/1023057354.db2.gz MUUMGJMWXNJARQ-GOSISDBHSA-N -1 1 336.391 3.956 20 0 EHADMM O=C([O-])C[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccc(F)cc1F ZINC000426808326 1023059955 /nfs/dbraw/zinc/05/99/55/1023059955.db2.gz LQDWINGQLNKXEZ-KRWDZBQOSA-N -1 1 348.324 3.891 20 0 EHADMM CCCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2OC)cc1 ZINC000426812885 1023061766 /nfs/dbraw/zinc/06/17/66/1023061766.db2.gz SRENNXFTWWCKCM-IBGZPJMESA-N -1 1 343.423 3.790 20 0 EHADMM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000426837469 1023073842 /nfs/dbraw/zinc/07/38/42/1023073842.db2.gz OLQXELMRTAURAV-MEDUHNTESA-N -1 1 345.443 3.502 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cnc2ccccc2c1 ZINC000430988989 1023095552 /nfs/dbraw/zinc/09/55/52/1023095552.db2.gz QUTOYHNRJIMJFJ-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc3c(cc(C)cc3C)[nH]2)o1 ZINC000426776083 1023158012 /nfs/dbraw/zinc/15/80/12/1023158012.db2.gz FIDZEROZBQEYJU-QGZVFWFLSA-N -1 1 326.396 3.992 20 0 EHADMM C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473853374 1023191016 /nfs/dbraw/zinc/19/10/16/1023191016.db2.gz IDBWKNRFGGKPCJ-SSDOTTSWSA-N -1 1 326.220 3.599 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@]12CCc1ccccc12 ZINC000439054130 1023244770 /nfs/dbraw/zinc/24/47/70/1023244770.db2.gz DSSNVUAGIBGYOI-UTKZUKDTSA-N -1 1 345.402 3.625 20 0 EHADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CCC(C(C)(C)C)CC1 ZINC000520490014 1023255321 /nfs/dbraw/zinc/25/53/21/1023255321.db2.gz RVJNMFROJBKRLK-UHFFFAOYSA-N -1 1 341.455 3.600 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(C)c1 ZINC000096659595 1023481892 /nfs/dbraw/zinc/48/18/92/1023481892.db2.gz CDIOLXSMANKRRZ-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000133478908 1023490590 /nfs/dbraw/zinc/49/05/90/1023490590.db2.gz ROQMSFMVFDPCGP-GHMZBOCLSA-N -1 1 344.274 3.559 20 0 EHADMM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(Br)c([O-])c1 ZINC000535723799 1023588210 /nfs/dbraw/zinc/58/82/10/1023588210.db2.gz TZFJZRHIZRFXQP-OAHLLOKOSA-N -1 1 346.224 3.880 20 0 EHADMM COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1OC ZINC000277111692 1023771084 /nfs/dbraw/zinc/77/10/84/1023771084.db2.gz AKOVLRJTDKEEIB-MRXNPFEDSA-N -1 1 349.814 3.581 20 0 EHADMM CNC(=O)Nc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000029158075 1024042216 /nfs/dbraw/zinc/04/22/16/1024042216.db2.gz SSFLWQAIWAHXOU-UHFFFAOYSA-N -1 1 335.363 3.549 20 0 EHADMM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000093908194 1024098262 /nfs/dbraw/zinc/09/82/62/1024098262.db2.gz HEMVSNXZBXLZDV-NSHDSACASA-N -1 1 334.213 3.988 20 0 EHADMM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c(OC)c1 ZINC000093908350 1024100387 /nfs/dbraw/zinc/10/03/87/1024100387.db2.gz PFELJHRXHRHXQN-MRXNPFEDSA-N -1 1 345.370 3.526 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000391595806 1024187781 /nfs/dbraw/zinc/18/77/81/1024187781.db2.gz NLLRCVDNIVWEGF-UHFFFAOYSA-N -1 1 341.436 3.830 20 0 EHADMM CN(Cc1nc2ccccc2n1C)C(=O)c1cc2ccccc2cc1[O-] ZINC000109979971 1024358695 /nfs/dbraw/zinc/35/86/95/1024358695.db2.gz JRLPVJWGPRUPBZ-UHFFFAOYSA-N -1 1 345.402 3.704 20 0 EHADMM Cc1nc(-c2ccc(N3CCc4ccccc4[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000425223219 1024454238 /nfs/dbraw/zinc/45/42/38/1024454238.db2.gz BSFWQQISWXGTKD-HNNXBMFYSA-N -1 1 346.434 3.985 20 0 EHADMM O=C(Cc1ccc(Br)c(F)c1)Nc1ccc(F)cc1[O-] ZINC000505620009 1024672472 /nfs/dbraw/zinc/67/24/72/1024672472.db2.gz MQYKZBZSERQHJK-UHFFFAOYSA-N -1 1 342.139 3.614 20 0 EHADMM CN(C)c1ccc([S@@](C)(=O)=NCc2cccc([O-])c2Cl)cc1 ZINC000895730114 1024774970 /nfs/dbraw/zinc/77/49/70/1024774970.db2.gz QRNFFFLXVIHRSS-JOCHJYFZSA-N -1 1 338.860 3.769 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000277369005 1024779897 /nfs/dbraw/zinc/77/98/97/1024779897.db2.gz BDXXIYCIEXYNBD-QMMMGPOBSA-N -1 1 341.251 3.826 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCSC2(CCC2)CC1 ZINC000897969600 1033244127 /nfs/dbraw/zinc/24/41/27/1033244127.db2.gz FTBXDWMVBQSBNR-UHFFFAOYSA-N -1 1 343.448 3.753 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCCCC2)n[nH]1)c1cccs1 ZINC000474418162 1024922683 /nfs/dbraw/zinc/92/26/83/1024922683.db2.gz XOBXUAWOURVWTN-UHFFFAOYSA-N -1 1 325.459 3.710 20 0 EHADMM O=S(=O)([N-]c1ccccc1F)c1ccc(C(F)(F)F)cc1F ZINC000436011855 1025291166 /nfs/dbraw/zinc/29/11/66/1025291166.db2.gz FJUSNLQDUMOIBH-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM CCCO[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000896267577 1025303514 /nfs/dbraw/zinc/30/35/14/1025303514.db2.gz LNHKNUMFKDEUIV-INIZCTEOSA-N -1 1 343.423 3.672 20 0 EHADMM O=C(NCCCCOCc1ccccc1)c1c([O-])cccc1Cl ZINC000051442459 1025339025 /nfs/dbraw/zinc/33/90/25/1025339025.db2.gz ZZZRTEWDCHPMJJ-UHFFFAOYSA-N -1 1 333.815 3.772 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442571658 1025374938 /nfs/dbraw/zinc/37/49/38/1025374938.db2.gz VAEABHASLIRDEG-UHFFFAOYSA-N -1 1 340.141 3.738 20 0 EHADMM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000281694017 1025381794 /nfs/dbraw/zinc/38/17/94/1025381794.db2.gz GQBWAOZPVMZHLO-AWEZNQCLSA-N -1 1 333.819 3.629 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1C ZINC000436173428 1025445082 /nfs/dbraw/zinc/44/50/82/1025445082.db2.gz HAPUNYBBKDVBAV-UHFFFAOYSA-N -1 1 330.409 3.594 20 0 EHADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000442841365 1025530190 /nfs/dbraw/zinc/53/01/90/1025530190.db2.gz ZZXROENTISCYQQ-UHFFFAOYSA-N -1 1 344.392 3.582 20 0 EHADMM Cc1cc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)c(C)o1 ZINC000347142486 1025565683 /nfs/dbraw/zinc/56/56/83/1025565683.db2.gz KLOILBRFJULVGN-UHFFFAOYSA-N -1 1 334.335 3.568 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccc(COC)o1 ZINC000563282322 1025575066 /nfs/dbraw/zinc/57/50/66/1025575066.db2.gz JDSBOTOSLOJDSQ-AWEZNQCLSA-N -1 1 333.384 3.617 20 0 EHADMM COc1cc(C(=O)N(C)CC2(c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000442926216 1025601652 /nfs/dbraw/zinc/60/16/52/1025601652.db2.gz PBFIXXBSOSQJHQ-UHFFFAOYSA-N -1 1 345.826 3.858 20 0 EHADMM Cn1ccc2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2c1=O ZINC000347165440 1025602109 /nfs/dbraw/zinc/60/21/09/1025602109.db2.gz IPSHXRBXNSUWEM-UHFFFAOYSA-N -1 1 343.770 3.542 20 0 EHADMM COc1cc(C(=O)NCCc2ccc(C)cc2C)cc(Cl)c1[O-] ZINC000442953248 1025603827 /nfs/dbraw/zinc/60/38/27/1025603827.db2.gz WVDRIAQWJGJMHC-UHFFFAOYSA-N -1 1 333.815 3.644 20 0 EHADMM CCc1ccc(C(=O)N2CCCN(C)c3cc(F)ccc32)c([O-])c1 ZINC000530332860 1025646532 /nfs/dbraw/zinc/64/65/32/1025646532.db2.gz AQMJIVFPBKKZHV-UHFFFAOYSA-N -1 1 328.387 3.580 20 0 EHADMM COc1cc(-c2nc(-c3ccccc3OC)no2)cc(Cl)c1[O-] ZINC000443107219 1025718069 /nfs/dbraw/zinc/71/80/69/1025718069.db2.gz SKZVSKMTKQJDTN-UHFFFAOYSA-N -1 1 332.743 3.780 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3cc(C)c(C)cc3o2)c1 ZINC000436504091 1025796651 /nfs/dbraw/zinc/79/66/51/1025796651.db2.gz JXASKSJHEZWQGO-UHFFFAOYSA-N -1 1 339.347 3.794 20 0 EHADMM CCOc1cc(-c2nc(Cc3cscn3)no2)cc(Cl)c1[O-] ZINC000443205787 1025812431 /nfs/dbraw/zinc/81/24/31/1025812431.db2.gz UUNAKWGKKQBPRH-UHFFFAOYSA-N -1 1 337.788 3.542 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000436501976 1025818191 /nfs/dbraw/zinc/81/81/91/1025818191.db2.gz CDBIZSUHSKKLPG-UONOGXRCSA-N -1 1 345.782 3.574 20 0 EHADMM C[C@@H]1SCCN(C(=O)c2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000436533596 1025842760 /nfs/dbraw/zinc/84/27/60/1025842760.db2.gz GOVQCBBOVBMPNJ-SJCJKPOMSA-N -1 1 331.412 3.850 20 0 EHADMM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436536830 1025843989 /nfs/dbraw/zinc/84/39/89/1025843989.db2.gz CUEMSPUBQZRPHV-UHFFFAOYSA-N -1 1 344.386 3.702 20 0 EHADMM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cc(F)ccc1[O-] ZINC000436547623 1025850732 /nfs/dbraw/zinc/85/07/32/1025850732.db2.gz OQZNBVJDPLXQJO-UHFFFAOYSA-N -1 1 340.232 3.944 20 0 EHADMM C[S@@](=O)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436554944 1025858780 /nfs/dbraw/zinc/85/87/80/1025858780.db2.gz KVRKZEZPUCGOJD-HSZRJFAPSA-N -1 1 325.389 3.535 20 0 EHADMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(F)ccc1[O-] ZINC000436540663 1025870066 /nfs/dbraw/zinc/87/00/66/1025870066.db2.gz QJLKDCCCOFWPEX-JTQLQIEISA-N -1 1 330.384 3.502 20 0 EHADMM CO[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC000436562865 1025887991 /nfs/dbraw/zinc/88/79/91/1025887991.db2.gz KWYBIKCVNJRSIL-HNNXBMFYSA-N -1 1 340.206 3.817 20 0 EHADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc3ccccc3c2[O-])C1(C)C ZINC000436566240 1025896208 /nfs/dbraw/zinc/89/62/08/1025896208.db2.gz WVIUCTZIUSMIAY-SJORKVTESA-N -1 1 327.424 3.821 20 0 EHADMM CC(C)(C)c1nnc(CNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000436592123 1025907671 /nfs/dbraw/zinc/90/76/71/1025907671.db2.gz ZQTYZFGCVPINCJ-UHFFFAOYSA-N -1 1 341.436 3.624 20 0 EHADMM COc1ncccc1Cc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436595967 1025912949 /nfs/dbraw/zinc/91/29/49/1025912949.db2.gz OCNQFDQEDPRAGG-UHFFFAOYSA-N -1 1 333.347 3.590 20 0 EHADMM O=C(NCc1coc(-c2ccccc2)n1)c1ccc(Cl)cc1[O-] ZINC000436587400 1025927592 /nfs/dbraw/zinc/92/75/92/1025927592.db2.gz DXLWTLOPQPIOJH-UHFFFAOYSA-N -1 1 328.755 3.631 20 0 EHADMM CCC[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436588507 1025928091 /nfs/dbraw/zinc/92/80/91/1025928091.db2.gz MYERKBGRWDGLSW-NSHDSACASA-N -1 1 326.234 3.807 20 0 EHADMM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(F)ccc1[O-] ZINC000436606998 1025938350 /nfs/dbraw/zinc/93/83/50/1025938350.db2.gz RVOSMXMDBBRASN-UHFFFAOYSA-N -1 1 349.365 3.699 20 0 EHADMM CC(C)CCn1ncc(NC(=O)C(=O)c2ccc([O-])cc2)c1C(C)C ZINC000436616720 1025948876 /nfs/dbraw/zinc/94/88/76/1025948876.db2.gz KYWWMAHTIPBUEJ-UHFFFAOYSA-N -1 1 343.427 3.580 20 0 EHADMM CSc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1C ZINC000436630847 1025960520 /nfs/dbraw/zinc/96/05/20/1025960520.db2.gz PILQZEQYPXAMCT-UHFFFAOYSA-N -1 1 330.409 3.633 20 0 EHADMM O=C(NC[C@H]1CCOc2ccccc21)c1cc2ccccc2cc1[O-] ZINC000436639912 1025970683 /nfs/dbraw/zinc/97/06/83/1025970683.db2.gz GCMMRJPAGUNLON-MRXNPFEDSA-N -1 1 333.387 3.842 20 0 EHADMM COc1ccc(CN(C(=O)c2ccc(Cl)cc2[O-])C2CC2)cc1 ZINC000436650488 1025978400 /nfs/dbraw/zinc/97/84/00/1025978400.db2.gz WFSFABFOMRFZNJ-UHFFFAOYSA-N -1 1 331.799 3.859 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCOc2cccc(F)c2C1 ZINC000436655564 1025983000 /nfs/dbraw/zinc/98/30/00/1025983000.db2.gz JGNQMDNMOGWDFI-UHFFFAOYSA-N -1 1 337.350 3.719 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)c1 ZINC000443402723 1025998843 /nfs/dbraw/zinc/99/88/43/1025998843.db2.gz ICUFTDGBDYFTAA-ZDUSSCGKSA-N -1 1 335.425 3.594 20 0 EHADMM Cc1ccccc1-c1csc(NC(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000436664664 1026003725 /nfs/dbraw/zinc/00/37/25/1026003725.db2.gz LSFVNPRXPSGVFK-UHFFFAOYSA-N -1 1 338.388 3.646 20 0 EHADMM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436687296 1026041707 /nfs/dbraw/zinc/04/17/07/1026041707.db2.gz KQQUILLHRXFCIN-GOSISDBHSA-N -1 1 341.382 3.762 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(F)ccc1Cl ZINC000103057791 1026044622 /nfs/dbraw/zinc/04/46/22/1026044622.db2.gz PCPDKIKIAAHBTR-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436694675 1026053022 /nfs/dbraw/zinc/05/30/22/1026053022.db2.gz HTZUJYBOWSNHRZ-JTQLQIEISA-N -1 1 335.835 3.797 20 0 EHADMM O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1ccc2ccccc2c1[O-] 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Cc1cccc(CS(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000062545644 1042678857 /nfs/dbraw/zinc/67/88/57/1042678857.db2.gz XUUVAUNIZDMILR-UHFFFAOYSA-N -1 1 338.432 3.999 20 0 EHADMM O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000111668540 1042994421 /nfs/dbraw/zinc/99/44/21/1042994421.db2.gz ZQTJYUBLSOJOTE-UHFFFAOYSA-N -1 1 341.798 3.803 20 0 EHADMM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([O-])cc1F ZINC000187091399 1043792688 /nfs/dbraw/zinc/79/26/88/1043792688.db2.gz JOAWIERENFUXLY-APPDUMDISA-N -1 1 349.789 3.787 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](C)CC(F)(F)F)cc(Cl)c1[O-] ZINC000344791875 1044436751 /nfs/dbraw/zinc/43/67/51/1044436751.db2.gz LGUDIFIDDSTCHO-ZETCQYMHSA-N -1 1 325.714 3.515 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc(F)ccc1C(F)(F)F ZINC001195073611 1135363558 /nfs/dbraw/zinc/36/35/58/1135363558.db2.gz HWTLXEMCJWPMIV-UHFFFAOYSA-N -1 1 343.418 3.924 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cc(Br)ccc1F ZINC000078807039 1129199255 /nfs/dbraw/zinc/19/92/55/1129199255.db2.gz 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CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1 ZINC000032591525 1127853482 /nfs/dbraw/zinc/85/34/82/1127853482.db2.gz IWJBZISBNXFPDL-UHFFFAOYSA-N -1 1 329.425 3.562 20 0 EHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000057126249 1128037547 /nfs/dbraw/zinc/03/75/47/1128037547.db2.gz NVXGIIRPFDIXGI-ZDUSSCGKSA-N -1 1 347.436 3.867 20 0 EHADMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000060561979 1128107666 /nfs/dbraw/zinc/10/76/66/1128107666.db2.gz PBETYOHHMWTNGX-JGVFFNPUSA-N -1 1 328.286 3.912 20 0 EHADMM O=S(=O)([N-]CCSc1ccccc1)c1cc2ccccc2o1 ZINC000084936086 1128345418 /nfs/dbraw/zinc/34/54/18/1128345418.db2.gz ITWIXURVGSTBLJ-UHFFFAOYSA-N -1 1 333.434 3.503 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186290133 1128376987 /nfs/dbraw/zinc/37/69/87/1128376987.db2.gz TUWFESIQAUSMTI-UHFFFAOYSA-N -1 1 349.177 3.736 20 0 EHADMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001212390043 1128395542 /nfs/dbraw/zinc/39/55/42/1128395542.db2.gz 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1120073777 /nfs/dbraw/zinc/07/37/77/1120073777.db2.gz FUUXAPAZWUEGSN-CYBMUJFWSA-N -1 1 340.247 3.990 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)c(Cl)cc1F ZINC001670557354 1120086042 /nfs/dbraw/zinc/08/60/42/1120086042.db2.gz GUTDTDBVUURBCX-UHFFFAOYSA-N -1 1 343.798 3.747 20 0 EHADMM Cc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000110325244 1120333367 /nfs/dbraw/zinc/33/33/67/1120333367.db2.gz JXHBEOIULGRBDR-NSHDSACASA-N -1 1 334.213 3.954 20 0 EHADMM CCCCc1nnc(NC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000192169885 1120722046 /nfs/dbraw/zinc/72/20/46/1120722046.db2.gz ORHDVNOONRHVCO-UHFFFAOYSA-N -1 1 326.809 3.884 20 0 EHADMM CCCNC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000192205921 1120725349 /nfs/dbraw/zinc/72/53/49/1120725349.db2.gz XTCZOJIZZSWFNE-UHFFFAOYSA-N -1 1 347.802 3.829 20 0 EHADMM CS[C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000227384178 1120878805 /nfs/dbraw/zinc/87/88/05/1120878805.db2.gz UBZMYGUVZKKIBT-QWRGUYRKSA-N -1 1 344.274 3.559 20 0 EHADMM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-][C@H]1CCCC1(F)F ZINC000672429980 1128977932 /nfs/dbraw/zinc/97/79/32/1128977932.db2.gz XXJPAYJJERXOKI-NSHDSACASA-N -1 1 344.210 3.601 20 0 EHADMM CCc1cc2c(CNc3cnn(CC(C)C)c3)cc(=O)oc2cc1[O-] ZINC000762544681 1121347145 /nfs/dbraw/zinc/34/71/45/1121347145.db2.gz UVORREJGDRTJKV-UHFFFAOYSA-N -1 1 341.411 3.526 20 0 EHADMM Cc1ccc([C@@H](NCc2cccc(OC3CC3)c2F)C(=O)[O-])cc1 ZINC000656564288 1128982917 /nfs/dbraw/zinc/98/29/17/1128982917.db2.gz IJERNKRBHSIMBB-GOSISDBHSA-N -1 1 329.371 3.591 20 0 EHADMM COC(=O)c1cc(F)cc(F)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214494749 1129024097 /nfs/dbraw/zinc/02/40/97/1129024097.db2.gz YWAIRYKQGCDWKP-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM Cc1cnc(SCc2ccnc(NC(=O)OC(C)(C)C)c2)[n-]c1=O ZINC000496936333 1122212982 /nfs/dbraw/zinc/21/29/82/1122212982.db2.gz FBSQSXNBBRTTKV-UHFFFAOYSA-N -1 1 348.428 3.525 20 0 EHADMM CCOC(=O)c1nnsc1[N-]c1cc(F)c(F)cc1OC(C)C ZINC001212222515 1122496986 /nfs/dbraw/zinc/49/69/86/1122496986.db2.gz RXCAZZZROCERBD-UHFFFAOYSA-N -1 1 343.355 3.524 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000649067173 1122617264 /nfs/dbraw/zinc/61/72/64/1122617264.db2.gz QVDCOQUIZDCAQT-QWHCGFSZSA-N -1 1 349.500 3.501 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cnc(Br)c(C)c2)n1 ZINC000917512051 1122623193 /nfs/dbraw/zinc/62/31/93/1122623193.db2.gz ALPUDGXDBMKKEI-UHFFFAOYSA-N -1 1 340.246 3.503 20 0 EHADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccnc(Cl)c1F ZINC000154481507 1122666226 /nfs/dbraw/zinc/66/62/26/1122666226.db2.gz PDPHDCZBNNGSJJ-UHFFFAOYSA-N -1 1 340.792 3.706 20 0 EHADMM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000131316314 1123079887 /nfs/dbraw/zinc/07/98/87/1123079887.db2.gz AYCJXWKLPWWMDU-WMLDXEAASA-N -1 1 331.799 3.696 20 0 EHADMM CCN(CCCNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000920430294 1123372392 /nfs/dbraw/zinc/37/23/92/1123372392.db2.gz YACLKTWPFDBNBQ-UHFFFAOYSA-N -1 1 332.831 3.692 20 0 EHADMM COC(=O)c1c(C)cc(Nc2cc3ccc([O-])cc3oc2=O)cc1C ZINC001213123055 1123579279 /nfs/dbraw/zinc/57/92/79/1123579279.db2.gz QMVYOZGXSWSFNX-UHFFFAOYSA-N -1 1 339.347 3.646 20 0 EHADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(F)ccc3C)c2C)o1 ZINC000135405629 1123609842 /nfs/dbraw/zinc/60/98/42/1123609842.db2.gz XFOBZCOFROUXSO-UHFFFAOYSA-N -1 1 349.387 3.535 20 0 EHADMM CN(Cc1csc(Br)c1)C(=O)c1cc(F)ccc1[O-] ZINC000080004400 1123734407 /nfs/dbraw/zinc/73/44/07/1123734407.db2.gz RBCVKGFQMPVGTD-UHFFFAOYSA-N -1 1 344.205 3.628 20 0 EHADMM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1cc(Cl)sc1Cl ZINC000615299297 1123779014 /nfs/dbraw/zinc/77/90/14/1123779014.db2.gz LLZGFGRSDOQDFQ-VIFPVBQESA-N -1 1 348.276 3.673 20 0 EHADMM CCc1cc2c(COC(=O)[C@H](C)C(C)(C)C)cc(=O)oc2cc1[O-] ZINC000734626665 1131259798 /nfs/dbraw/zinc/25/97/98/1131259798.db2.gz ZSLWFDHBRPZJQU-NSHDSACASA-N -1 1 332.396 3.786 20 0 EHADMM C[C@@H](c1cc(F)ccc1F)N(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182054141 1125140413 /nfs/dbraw/zinc/14/04/13/1125140413.db2.gz ZCSDKOSITVBYAF-NSHDSACASA-N -1 1 345.345 3.970 20 0 EHADMM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000618792502 1125202481 /nfs/dbraw/zinc/20/24/81/1125202481.db2.gz GXQBMALALGLICB-QGZVFWFLSA-N -1 1 347.361 3.663 20 0 EHADMM CC(C)c1cccc(NC(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000183055322 1125429383 /nfs/dbraw/zinc/42/93/83/1125429383.db2.gz VHHLNJHTSYDBLZ-UHFFFAOYSA-N -1 1 347.802 3.636 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2ccc(O)c3nc(C)ccc23)n1 ZINC000509074879 1129722430 /nfs/dbraw/zinc/72/24/30/1129722430.db2.gz OJEYJJCMBJUCGH-UHFFFAOYSA-N -1 1 327.409 3.599 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000171329310 1130046757 /nfs/dbraw/zinc/04/67/57/1130046757.db2.gz FCTCRQLJKQLFID-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM Cc1[nH]c(=O)c(C(=O)Nc2c([O-])cccc2F)cc1-c1ccccc1 ZINC000674267168 1130050135 /nfs/dbraw/zinc/05/01/35/1130050135.db2.gz ZMFONBRSDBUBIK-UHFFFAOYSA-N -1 1 338.338 3.860 20 0 EHADMM COC(=O)c1nc[nH]c1NC(=O)c1sc2cc(C)c(C)cc2c1C ZINC001128847487 1130206854 /nfs/dbraw/zinc/20/68/54/1130206854.db2.gz PQXMVBNQYXPQPP-UHFFFAOYSA-N -1 1 343.408 3.589 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)c1 ZINC000675547643 1130426409 /nfs/dbraw/zinc/42/64/09/1130426409.db2.gz ZJVORYIMKPSNEF-UHFFFAOYSA-N -1 1 349.456 3.657 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1CC ZINC000486095308 1130440500 /nfs/dbraw/zinc/44/05/00/1130440500.db2.gz VUTYIKFTNHOWCF-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM O=S(=O)([N-][C@@H]1CCC(F)(F)C1)c1cc(Cl)sc1Cl ZINC000675637270 1130442544 /nfs/dbraw/zinc/44/25/44/1130442544.db2.gz WCZSPKJSDRBYNJ-RXMQYKEDSA-N -1 1 336.212 3.521 20 0 EHADMM CCc1cc(C)c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000676035891 1130519441 /nfs/dbraw/zinc/51/94/41/1130519441.db2.gz ZOVUZDHDUPBSPF-UHFFFAOYSA-N -1 1 341.407 3.591 20 0 EHADMM O=C(NCCc1ccc(F)cc1Cl)c1c([O-])cccc1Cl ZINC000733368170 1131031164 /nfs/dbraw/zinc/03/11/64/1131031164.db2.gz ZXTMUHVSSTUIKB-UHFFFAOYSA-N -1 1 328.170 3.811 20 0 EHADMM O=C(NCc1coc(-c2cccs2)n1)c1c([O-])cccc1Cl ZINC000144113738 1131159526 /nfs/dbraw/zinc/15/95/26/1131159526.db2.gz HGZDGDVYEQDLEH-UHFFFAOYSA-N -1 1 334.784 3.692 20 0 EHADMM Fc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c(Cl)c1 ZINC001212688720 1131895759 /nfs/dbraw/zinc/89/57/59/1131895759.db2.gz QVEBQJXNSJJFJQ-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Fc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c(Cl)c1 ZINC001212688720 1131895768 /nfs/dbraw/zinc/89/57/68/1131895768.db2.gz QVEBQJXNSJJFJQ-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM COc1c(C)cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1C ZINC001212689914 1131900744 /nfs/dbraw/zinc/90/07/44/1131900744.db2.gz SUUNMQXYUVTLQX-UHFFFAOYSA-N -1 1 338.289 3.771 20 0 EHADMM COc1c(C)cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1C ZINC001212689914 1131900750 /nfs/dbraw/zinc/90/07/50/1131900750.db2.gz SUUNMQXYUVTLQX-UHFFFAOYSA-N -1 1 338.289 3.771 20 0 EHADMM Cc1cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc(C)c1F ZINC001212690134 1131901310 /nfs/dbraw/zinc/90/13/10/1131901310.db2.gz ZHHIDGGSWFJVFF-UHFFFAOYSA-N -1 1 326.253 3.901 20 0 EHADMM Cc1cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc(C)c1F ZINC001212690134 1131901311 /nfs/dbraw/zinc/90/13/11/1131901311.db2.gz ZHHIDGGSWFJVFF-UHFFFAOYSA-N -1 1 326.253 3.901 20 0 EHADMM Cc1ncsc1-c1ccc(-c2noc(-c3ccncc3[O-])n2)cc1 ZINC001212722530 1132046105 /nfs/dbraw/zinc/04/61/05/1132046105.db2.gz MHPTUXAQZMGASE-UHFFFAOYSA-N -1 1 336.376 3.936 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2ccc(F)c(OC(F)(F)F)c2)no1 ZINC001212721388 1132055910 /nfs/dbraw/zinc/05/59/10/1132055910.db2.gz NKNUFKIADWLUJY-UHFFFAOYSA-N -1 1 341.220 3.542 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001212721246 1132056486 /nfs/dbraw/zinc/05/64/86/1132056486.db2.gz FVESKEBWCSULNO-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1c([O-])cccc1Cl ZINC000744350028 1132072838 /nfs/dbraw/zinc/07/28/38/1132072838.db2.gz QBUWRCNIHHWNOE-UHFFFAOYSA-N -1 1 343.814 3.627 20 0 EHADMM O=C1COc2ccc(Nc3cc(Cl)cc(Cl)c3[O-])cc2N1 ZINC001203184206 1132086587 /nfs/dbraw/zinc/08/65/87/1132086587.db2.gz DJXSDNTYKBRKBJ-UHFFFAOYSA-N -1 1 325.151 3.774 20 0 EHADMM CCCCOC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000744978763 1132174735 /nfs/dbraw/zinc/17/47/35/1132174735.db2.gz MXAVOMONOQQANB-MRVPVSSYSA-N -1 1 335.183 3.588 20 0 EHADMM O=C(NCc1ccco1)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174157453 1132259449 /nfs/dbraw/zinc/25/94/49/1132259449.db2.gz YCMJSHSZZUKECY-UHFFFAOYSA-N -1 1 344.317 3.937 20 0 EHADMM CSc1nc(Nc2cccc(O[C@@H]3CCCCO3)c2)cc(=O)[n-]1 ZINC001175184326 1132591333 /nfs/dbraw/zinc/59/13/33/1132591333.db2.gz UEFVQKTZMKZEAZ-OAHLLOKOSA-N -1 1 333.413 3.553 20 0 EHADMM Cc1cc2[nH]c(C(=O)Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc2c(C)c1 ZINC001168915264 1132605266 /nfs/dbraw/zinc/60/52/66/1132605266.db2.gz SXFDXLIAWACXIX-UHFFFAOYSA-N -1 1 346.390 3.928 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000766572736 1132649379 /nfs/dbraw/zinc/64/93/79/1132649379.db2.gz VKTFKRWHWREKRP-UHFFFAOYSA-N -1 1 333.453 3.931 20 0 EHADMM O=c1oc2cc([O-])ccc2cc1Nc1c(F)c(F)c(F)c(F)c1F ZINC001175384119 1132656427 /nfs/dbraw/zinc/65/64/27/1132656427.db2.gz IZVRJDOTKIBTIN-UHFFFAOYSA-N -1 1 343.207 3.938 20 0 EHADMM Cn1ncc2cccc(Nc3ccc(F)c(Br)c3[O-])c21 ZINC001175449519 1132685831 /nfs/dbraw/zinc/68/58/31/1132685831.db2.gz VBTXAWOLFBBMEA-UHFFFAOYSA-N -1 1 336.164 3.924 20 0 EHADMM Cc1[nH]nc2cc(Nc3cc(S(=O)(=O)[O-])ccc3Cl)ccc12 ZINC001175665840 1132734127 /nfs/dbraw/zinc/73/41/27/1132734127.db2.gz TVXPAGNCOFDKNH-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM Nc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c4ccccc4c3c2)c1 ZINC001175859992 1132785734 /nfs/dbraw/zinc/78/57/34/1132785734.db2.gz LCXUZEIAEDQBRO-UHFFFAOYSA-N -1 1 337.404 3.704 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1Cl ZINC001175873729 1132789912 /nfs/dbraw/zinc/78/99/12/1132789912.db2.gz RNCHMQXZAIOBAD-UHFFFAOYSA-N -1 1 340.832 3.510 20 0 EHADMM O=C(CCCOc1ccc(Cl)cc1Cl)[N-]OCC(F)(F)F ZINC000766766243 1132798717 /nfs/dbraw/zinc/79/87/17/1132798717.db2.gz BHJUKZWYONFEMW-UHFFFAOYSA-N -1 1 346.132 3.763 20 0 EHADMM 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COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc2c1O[C@H](C)C2 ZINC000771222825 1133529488 /nfs/dbraw/zinc/52/94/88/1133529488.db2.gz JCRDZNDLPPOPLA-SECBINFHSA-N -1 1 342.326 3.580 20 0 EHADMM COc1cc(C(=O)NCc2cccc(OC(C)C)c2)cc(Cl)c1[O-] ZINC000785533884 1133718093 /nfs/dbraw/zinc/71/80/93/1133718093.db2.gz GUWUZCOCWSAWDG-UHFFFAOYSA-N -1 1 349.814 3.771 20 0 EHADMM COc1cc(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)cc(Cl)c1[O-] ZINC000785607516 1133726300 /nfs/dbraw/zinc/72/63/00/1133726300.db2.gz VYEPOTNHEQGJPK-LLVKDONJSA-N -1 1 347.798 3.790 20 0 EHADMM CSc1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])ccn1 ZINC001184023900 1133886253 /nfs/dbraw/zinc/88/62/53/1133886253.db2.gz XPAKZKSZZCPFDD-UHFFFAOYSA-N -1 1 326.377 3.620 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC001185222303 1134052555 /nfs/dbraw/zinc/05/25/55/1134052555.db2.gz QLUMHVQRYIWJNN-UHFFFAOYSA-N -1 1 346.433 3.864 20 0 EHADMM C=Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185229282 1134053728 /nfs/dbraw/zinc/05/37/28/1134053728.db2.gz 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CC(C)[C@H](NC(=O)c1c([O-])cccc1Cl)[C@@H](O)c1ccccc1 ZINC000790402486 1134416971 /nfs/dbraw/zinc/41/69/71/1134416971.db2.gz PKTXHCADUDPTAY-IRXDYDNUSA-N -1 1 333.815 3.534 20 0 EHADMM O=C(Nc1cnccc1OC(F)F)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572293 1134475775 /nfs/dbraw/zinc/47/57/75/1134475775.db2.gz MBVZQTUBNXHDQR-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM COc1cc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cc(OC)c1 ZINC001188561770 1134476595 /nfs/dbraw/zinc/47/65/95/1134476595.db2.gz CCDDMILTXBBHMX-UHFFFAOYSA-N -1 1 341.285 3.681 20 0 EHADMM Cc1nc2c(NC(=O)c3ccc([O-])c(C(F)(F)F)c3)cccn2c1C ZINC001188571764 1134478056 /nfs/dbraw/zinc/47/80/56/1134478056.db2.gz CRYCCLLUKVHVDH-UHFFFAOYSA-N -1 1 349.312 3.928 20 0 EHADMM O=S(=O)([N-][C@H](c1cccc(Cl)c1)C(F)(F)F)c1ccoc1 ZINC001188624675 1134489691 /nfs/dbraw/zinc/48/96/91/1134489691.db2.gz XKTMJJFFRAJYTN-LLVKDONJSA-N -1 1 339.722 3.515 20 0 EHADMM CCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001188669799 1134497572 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MDLHWISWOQNEIJ-LJQANCHMSA-N -1 1 345.826 3.654 20 0 EHADMM O=C(Nc1cccc(F)c1)Nc1cccc([O-])c1Br ZINC001202232759 1136117351 /nfs/dbraw/zinc/11/73/51/1136117351.db2.gz XDTBXPVQTADLQW-UHFFFAOYSA-N -1 1 325.137 3.938 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc(C)c1F ZINC000811836038 1136143080 /nfs/dbraw/zinc/14/30/80/1136143080.db2.gz AVKQNHVAHGHFSJ-UHFFFAOYSA-N -1 1 328.796 3.600 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCc3cc(F)ccc32)c1 ZINC000850268739 1136228882 /nfs/dbraw/zinc/22/88/82/1136228882.db2.gz HZEMXRGHKNRQND-SFHVURJKSA-N -1 1 342.366 3.550 20 0 EHADMM C[C@@H](CN(C(=O)c1c([O-])cccc1Cl)[C@@H](C)CO)c1ccccc1 ZINC000813669754 1136355250 /nfs/dbraw/zinc/35/52/50/1136355250.db2.gz KKFQMOCTWLYAEH-KBPBESRZSA-N -1 1 347.842 3.672 20 0 EHADMM O=C(OCC[C@H]1CC1(F)F)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000851385238 1136373823 /nfs/dbraw/zinc/37/38/23/1136373823.db2.gz JLUREYRTBIHNFA-ZDUSSCGKSA-N -1 1 349.333 3.574 20 0 EHADMM CCCC[C@@H](CC)CC(=O)Nc1nc(C(=O)OCC)c(Cl)[n-]1 ZINC001134100802 1136406648 /nfs/dbraw/zinc/40/66/48/1136406648.db2.gz JMPFYGGGBOPHRJ-SNVBAGLBSA-N -1 1 329.828 3.785 20 0 EHADMM CCOC(=O)c1nc(NC(=O)[C@@H](c2ccccc2)C(C)C)[n-]c1Cl ZINC001134101532 1136406830 /nfs/dbraw/zinc/40/68/30/1136406830.db2.gz SIDPKWRGABLUJM-GFCCVEGCSA-N -1 1 349.818 3.618 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)C1=Cc2ccccc2CC1 ZINC000814285656 1136433930 /nfs/dbraw/zinc/43/39/30/1136433930.db2.gz LTOGJAGPOJVYIZ-QGZVFWFLSA-N -1 1 349.402 3.900 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCCSC[C@H]1C1CC1 ZINC000888485504 1136616615 /nfs/dbraw/zinc/61/66/15/1136616615.db2.gz LRIQXUXJPQEYFP-KRWDZBQOSA-N -1 1 343.448 3.609 20 0 EHADMM CN(C)c1ccc(C2(c3nc(-c4ccc([O-])cc4F)no3)CC2)cc1 ZINC000815685640 1136628819 /nfs/dbraw/zinc/62/88/19/1136628819.db2.gz BYNDPNZFHZZDHB-UHFFFAOYSA-N -1 1 339.370 3.727 20 0 EHADMM CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2ccc([O-])cc2F)n1 ZINC000776772004 1136659155 /nfs/dbraw/zinc/65/91/55/1136659155.db2.gz MNJNXPQDRSKRTB-CYBMUJFWSA-N -1 1 349.362 3.653 20 0 EHADMM COC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC001135566679 1136714784 /nfs/dbraw/zinc/71/47/84/1136714784.db2.gz QQJZGRUZLXMWCD-UHFFFAOYSA-N -1 1 335.359 3.893 20 0 EHADMM CCCCCCOc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1OC ZINC000816740406 1136751252 /nfs/dbraw/zinc/75/12/52/1136751252.db2.gz BMZCJYMMWPHGIR-UHFFFAOYSA-N -1 1 347.415 3.644 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1OCCc2sccc21 ZINC000817051820 1136772561 /nfs/dbraw/zinc/77/25/61/1136772561.db2.gz QOMTVFBWTGXLTI-RFAUZJTJSA-N -1 1 337.828 3.539 20 0 EHADMM O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc2ccccc2c1[O-] ZINC000817091379 1136778808 /nfs/dbraw/zinc/77/88/08/1136778808.db2.gz JJESCDTUTKWJJM-KRWDZBQOSA-N -1 1 341.794 3.662 20 0 EHADMM O=C([N-][C@H]1CCn2cncc21)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857976390 1136927026 /nfs/dbraw/zinc/92/70/26/1136927026.db2.gz CTWBNVFFXGHVNP-NSHDSACASA-N -1 1 346.164 3.543 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2nn(-c3ccccc3)cc2C)c1 ZINC001136239937 1136951796 /nfs/dbraw/zinc/95/17/96/1136951796.db2.gz SREJPESCTFUKDA-UHFFFAOYSA-N -1 1 339.420 3.861 20 0 EHADMM O=c1nc(N2CCC(Oc3ccccc3Cl)CC2)cc(Cl)[n-]1 ZINC000858457313 1136969530 /nfs/dbraw/zinc/96/95/30/1136969530.db2.gz OLLLVNRRZDOFLV-UHFFFAOYSA-N -1 1 340.210 3.537 20 0 EHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1nc2cnccc2s1 ZINC000823121001 1137087959 /nfs/dbraw/zinc/08/79/59/1137087959.db2.gz RMCRGSGYQHUASD-UHFFFAOYSA-N -1 1 345.453 3.843 20 0 EHADMM O=C(c1ccc(F)c([O-])c1)N1CCC(OCC2CCCCC2)CC1 ZINC001136782298 1137114286 /nfs/dbraw/zinc/11/42/86/1137114286.db2.gz PALVFDWZDFDDMF-UHFFFAOYSA-N -1 1 335.419 3.733 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@@H](CCF)C3)c2)o1 ZINC000825346856 1137173852 /nfs/dbraw/zinc/17/38/52/1137173852.db2.gz HXMPZGLOUOVPFN-ZDUSSCGKSA-N -1 1 345.370 3.677 20 0 EHADMM C[C@@H]1CN=C([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)S1 ZINC000843911414 1137187874 /nfs/dbraw/zinc/18/78/74/1137187874.db2.gz IQRHPMCOJJGXQL-ZCFIWIBFSA-N -1 1 339.194 3.693 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2cc3c(ccnc3Cl)o2)s1 ZINC000864969904 1137255752 /nfs/dbraw/zinc/25/57/52/1137255752.db2.gz BAFZAKQMBNDOCC-UHFFFAOYSA-N -1 1 336.804 3.883 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCc2ccc(F)cc21 ZINC001144292048 1137269705 /nfs/dbraw/zinc/26/97/05/1137269705.db2.gz ZSLGNIMPRURRNR-NSHDSACASA-N -1 1 333.790 3.987 20 0 EHADMM CCc1nc(S[C@H](CC)C(=O)Nc2ccc(C)cc2)[n-]c(=O)c1C ZINC000865369989 1137278073 /nfs/dbraw/zinc/27/80/73/1137278073.db2.gz GFTHLCFMGAOVMJ-OAHLLOKOSA-N -1 1 345.468 3.871 20 0 EHADMM C[C@H]1c2ccccc2C[C@H]1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001146542917 1137391664 /nfs/dbraw/zinc/39/16/64/1137391664.db2.gz GGNIMHUPZNAFDL-MEDUHNTESA-N -1 1 336.366 3.538 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)c2sccc2C)c1 ZINC001147113382 1137400803 /nfs/dbraw/zinc/40/08/03/1137400803.db2.gz JOPOICNQXQWPAQ-UHFFFAOYSA-N -1 1 342.214 3.786 20 0 EHADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccco2)o1 ZINC001147307100 1137404951 /nfs/dbraw/zinc/40/49/51/1137404951.db2.gz MGRFZTDDYCSDMB-UHFFFAOYSA-N -1 1 336.307 3.545 20 0 EHADMM COC1CCC(NC(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148873571 1137436137 /nfs/dbraw/zinc/43/61/37/1137436137.db2.gz YDPRTSNYHJJDGO-UHFFFAOYSA-N -1 1 325.408 3.747 20 0 EHADMM O=C(Nc1ncnc2[nH]ccc21)c1cccc(-c2ccccc2)c1[O-] ZINC001148861149 1137436443 /nfs/dbraw/zinc/43/64/43/1137436443.db2.gz NBHQKHAXNBCRQG-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM COC[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001148977079 1137439089 /nfs/dbraw/zinc/43/90/89/1137439089.db2.gz CFUKGMWKBAMJRJ-SFHVURJKSA-N -1 1 335.403 3.533 20 0 EHADMM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(F)c1[O-] ZINC001171632516 1137499831 /nfs/dbraw/zinc/49/98/31/1137499831.db2.gz DTXYJDFGEGOGBF-UHFFFAOYSA-N -1 1 343.333 3.725 20 0 EHADMM Cc1ccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000872158104 1137574168 /nfs/dbraw/zinc/57/41/68/1137574168.db2.gz ZZHLALRPVMUOBW-BEFAXECRSA-N -1 1 325.408 3.655 20 0 EHADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc(Br)ccc1[O-] ZINC001137069214 1137593422 /nfs/dbraw/zinc/59/34/22/1137593422.db2.gz UMSOUKFOVNOIJL-GXTWGEPZSA-N -1 1 338.245 3.853 20 0 EHADMM O=C(Nc1ccc([O-])c(F)c1F)C1(c2cccnc2)CC2(CCC2)C1 ZINC000880237153 1137771892 /nfs/dbraw/zinc/77/18/92/1137771892.db2.gz RIQBSDJPCXYAPY-UHFFFAOYSA-N -1 1 344.361 3.906 20 0 EHADMM Cc1noc(-c2ccccc2C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000129620647 1137826111 /nfs/dbraw/zinc/82/61/11/1137826111.db2.gz MORPCTZHKJJJDK-UHFFFAOYSA-N -1 1 329.743 3.656 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@H](C2CCOCC2)C1 ZINC000882909483 1137837754 /nfs/dbraw/zinc/83/77/54/1137837754.db2.gz VVRVEYKZXACCMK-AWEZNQCLSA-N -1 1 337.847 3.715 20 0 EHADMM CC[C@@H](C)[C@@H](C)NC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000109093439 1137891100 /nfs/dbraw/zinc/89/11/00/1137891100.db2.gz PQQRYKYMIWXFJK-GHMZBOCLSA-N -1 1 338.502 3.610 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1cccc(C(F)(F)F)n1 ZINC000800034644 1137895062 /nfs/dbraw/zinc/89/50/62/1137895062.db2.gz XQGCTMLICWBRHL-CMDGGOBGSA-N -1 1 346.305 3.652 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1cc(Cl)c(Cl)cn1 ZINC000800039085 1137895330 /nfs/dbraw/zinc/89/53/30/1137895330.db2.gz NUATXNDHMBJWLD-AATRIKPKSA-N -1 1 347.198 3.940 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCc2nc(CC(C)C)no2)cc1 ZINC000113717122 1137914478 /nfs/dbraw/zinc/91/44/78/1137914478.db2.gz ZDANKKJCCXFNPU-UHFFFAOYSA-N -1 1 343.456 3.740 20 0 EHADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000332186369 1137934987 /nfs/dbraw/zinc/93/49/87/1137934987.db2.gz FORXEPUPLGBAEL-LLVKDONJSA-N -1 1 347.358 3.737 20 0 EHADMM Cn1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000333079340 1137954735 /nfs/dbraw/zinc/95/47/35/1137954735.db2.gz QDWXWLCCSVTZPS-SFHVURJKSA-N -1 1 335.407 3.646 20 0 EHADMM O=C(N[C@H]1CCCC12CCOCC2)c1cc2ccccc2cc1[O-] ZINC000333209642 1137958274 /nfs/dbraw/zinc/95/82/74/1137958274.db2.gz BGGDGPYTOIMLQB-SFHVURJKSA-N -1 1 325.408 3.625 20 0 EHADMM COc1ccc(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(C)c1 ZINC001202727880 1137958864 /nfs/dbraw/zinc/95/88/64/1137958864.db2.gz LIXYKWUORWVVLX-UHFFFAOYSA-N -1 1 338.367 3.539 20 0 EHADMM O=C(CCCSc1ccc(Cl)cc1)[N-]OCC(F)(F)F ZINC000135227214 1137964744 /nfs/dbraw/zinc/96/47/44/1137964744.db2.gz HPXKFTOKTZQDMJ-UHFFFAOYSA-N -1 1 327.755 3.822 20 0 EHADMM O=C([N-][C@@H]1CCCc2cccnc21)C(F)(F)c1cc(F)cc(F)c1 ZINC000885359368 1137996489 /nfs/dbraw/zinc/99/64/89/1137996489.db2.gz ZAUZKCWHVSOQTN-CQSZACIVSA-N -1 1 338.304 3.645 20 0 EHADMM CC1(C)C[C@H](O)c2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2O1 ZINC000885659523 1138016035 /nfs/dbraw/zinc/01/60/35/1138016035.db2.gz MIKTWECDEDYLSP-ZDUSSCGKSA-N -1 1 349.333 3.517 20 0 EHADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885676016 1138018033 /nfs/dbraw/zinc/01/80/33/1138018033.db2.gz GXHDUGZHNLPUML-BONVTDFDSA-N -1 1 329.799 3.965 20 0 EHADMM CCOCc1nc(C)c(C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC000885678241 1138018174 /nfs/dbraw/zinc/01/81/74/1138018174.db2.gz KQAHDDJDTJLUMT-UHFFFAOYSA-N -1 1 344.795 3.738 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)s1 ZINC000057776855 1138060519 /nfs/dbraw/zinc/06/05/19/1138060519.db2.gz NRMAWIKQWASPSK-UHFFFAOYSA-N -1 1 349.218 3.974 20 0 EHADMM COc1cccc([C@H](C)CC(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC000886266540 1138062899 /nfs/dbraw/zinc/06/28/99/1138062899.db2.gz PLZSUHRVNUQSCA-GFCCVEGCSA-N -1 1 349.377 3.532 20 0 EHADMM CC(C)C(=O)c1ccc([C@H](C)C(=O)[N-]OCCC(F)(F)F)cc1 ZINC000282956023 1138065968 /nfs/dbraw/zinc/06/59/68/1138065968.db2.gz DJCSCODFCQBSDM-NSHDSACASA-N -1 1 331.334 3.629 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2c(C)cc(Cl)cc2C)[nH]nc1C1CC1 ZINC000886397535 1138073313 /nfs/dbraw/zinc/07/33/13/1138073313.db2.gz NLMRBTCKFZUCQC-UHFFFAOYSA-N -1 1 339.848 3.667 20 0 EHADMM CC(C)n1c(CNC(=O)c2ccc(Cl)cc2Cl)n[n-]c1=S ZINC000066640375 1138076829 /nfs/dbraw/zinc/07/68/29/1138076829.db2.gz JCQXFTVJKDMXNR-UHFFFAOYSA-N -1 1 345.255 3.758 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CC=CCC2)c1 ZINC000077039168 1138136641 /nfs/dbraw/zinc/13/66/41/1138136641.db2.gz ALPCOVKXDLKHFG-OAHLLOKOSA-N -1 1 342.468 3.531 20 0 EHADMM CCSc1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000081746816 1138170976 /nfs/dbraw/zinc/17/09/76/1138170976.db2.gz JHJAWDFHYHDMBQ-UHFFFAOYSA-N -1 1 345.468 3.740 20 0 EHADMM CCc1cccc(C)c1NC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000085545810 1138184679 /nfs/dbraw/zinc/18/46/79/1138184679.db2.gz ZNDPYWFUHRLSOZ-UHFFFAOYSA-N -1 1 333.461 3.714 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000333563291 1138304653 /nfs/dbraw/zinc/30/46/53/1138304653.db2.gz WVFAPJHHBPWAAI-OAHLLOKOSA-N -1 1 345.487 3.829 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c(C)c1 ZINC000333698437 1138322164 /nfs/dbraw/zinc/32/21/64/1138322164.db2.gz NNEPJIHNZNXJEA-UHFFFAOYSA-N -1 1 343.448 3.932 20 0 EHADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000129549154 1138413909 /nfs/dbraw/zinc/41/39/09/1138413909.db2.gz VPRXBEBWTTXNGB-UHFFFAOYSA-N -1 1 347.798 3.733 20 0 EHADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(C(F)F)s3)cs2)o1 ZINC000336896357 1138423238 /nfs/dbraw/zinc/42/32/38/1138423238.db2.gz RSOKVRFIGZYHTR-UHFFFAOYSA-N -1 1 342.352 3.753 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000338217060 1138791284 /nfs/dbraw/zinc/79/12/84/1138791284.db2.gz QMFFNYWFHQFVOU-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](c2ccsc2)O1 ZINC000150868251 1138988956 /nfs/dbraw/zinc/98/89/56/1138988956.db2.gz SPKZBVCNTXGLCK-BMIGLBTASA-N -1 1 337.828 3.709 20 0 EHADMM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182871477 1139998423 /nfs/dbraw/zinc/99/84/23/1139998423.db2.gz MKOMHCOKWKLOBV-UHFFFAOYSA-N -1 1 342.823 3.535 20 0 EHADMM CCc1noc([C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000185059405 1140134607 /nfs/dbraw/zinc/13/46/07/1140134607.db2.gz DEEDLKPTSMPWJX-NSHDSACASA-N -1 1 342.424 3.544 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1 ZINC000185922109 1140177245 /nfs/dbraw/zinc/17/72/45/1140177245.db2.gz UMHQZGUKLBSUIA-UHFFFAOYSA-N -1 1 330.453 3.520 20 0 EHADMM COC(=O)c1c[n-]c(SCc2c(C)cc(C)c(C(C)=O)c2C)n1 ZINC000187598956 1140263687 /nfs/dbraw/zinc/26/36/87/1140263687.db2.gz UROPBEUHCRXGSU-UHFFFAOYSA-N -1 1 332.425 3.616 20 0 EHADMM C[C@H](CCC(=O)Nc1ccc([O-])c(Cl)c1)NC(=O)OC(C)(C)C ZINC000192438616 1140532113 /nfs/dbraw/zinc/53/21/13/1140532113.db2.gz OXSWHJMBVBDTNA-SNVBAGLBSA-N -1 1 342.823 3.678 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000267027331 1140751863 /nfs/dbraw/zinc/75/18/63/1140751863.db2.gz RAYOPYHFQONFKS-CYBMUJFWSA-N -1 1 341.455 3.664 20 0 EHADMM O=C(Cc1ccccc1Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339122764 1141502942 /nfs/dbraw/zinc/50/29/42/1141502942.db2.gz NBTAWAHWVSKIKW-UHFFFAOYSA-N -1 1 327.771 3.617 20 0 EHADMM CCc1nnc(-c2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2)o1 ZINC000348630971 1141557674 /nfs/dbraw/zinc/55/76/74/1141557674.db2.gz BVYJZXKYWPKSOD-UHFFFAOYSA-N -1 1 345.305 3.535 20 0 EHADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)C ZINC000037985271 202078853 /nfs/dbraw/zinc/07/88/53/202078853.db2.gz XLHFZEMSDANJNL-GFCCVEGCSA-N -1 1 344.889 3.781 20 0 EHADMM C[C@H](Cc1cccs1)NC(=O)c1ccc(Br)cc1[O-] ZINC000070142912 202308430 /nfs/dbraw/zinc/30/84/30/202308430.db2.gz GVLUIEYVQZAHKI-SECBINFHSA-N -1 1 340.242 3.577 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(Br)cc2C)c([O-])c1 ZINC000019433891 212027140 /nfs/dbraw/zinc/02/71/40/212027140.db2.gz YCISFMVGVAEXDG-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Br ZINC000005121382 210394256 /nfs/dbraw/zinc/39/42/56/210394256.db2.gz PWNBYEVYWIOZNK-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM CC(C)(C)c1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000735652287 598954076 /nfs/dbraw/zinc/95/40/76/598954076.db2.gz FPIFTWUVGBZZSQ-UHFFFAOYSA-N -1 1 346.394 3.900 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc(COc2ccccc2)c1 ZINC000823792014 607310252 /nfs/dbraw/zinc/31/02/52/607310252.db2.gz MQMHCQINNACZLH-UHFFFAOYSA-N -1 1 347.378 3.651 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc(COc2ccccc2)c1 ZINC000823792014 607310253 /nfs/dbraw/zinc/31/02/53/607310253.db2.gz MQMHCQINNACZLH-UHFFFAOYSA-N -1 1 347.378 3.651 20 0 EHADMM COc1ccc(C(C)(C)C)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821772861 607310593 /nfs/dbraw/zinc/31/05/93/607310593.db2.gz SZFFGJLHOJINPS-UHFFFAOYSA-N -1 1 343.456 3.846 20 0 EHADMM Clc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)s1 ZINC000737575538 599270152 /nfs/dbraw/zinc/27/01/52/599270152.db2.gz MDVZPLGJHRWIHP-UHFFFAOYSA-N -1 1 342.815 3.742 20 0 EHADMM Clc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)s1 ZINC000737575538 599270154 /nfs/dbraw/zinc/27/01/54/599270154.db2.gz MDVZPLGJHRWIHP-UHFFFAOYSA-N -1 1 342.815 3.742 20 0 EHADMM c1ccc(Oc2ncccc2-c2nn[n-]n2)c(NCC2CCCC2)c1 ZINC000823792065 607371997 /nfs/dbraw/zinc/37/19/97/607371997.db2.gz ONNVRNKOULDCBR-UHFFFAOYSA-N -1 1 336.399 3.656 20 0 EHADMM COc1cc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)ccc1SC ZINC000570286102 599713966 /nfs/dbraw/zinc/71/39/66/599713966.db2.gz CMQOQGYDIWQBDV-NSHDSACASA-N -1 1 335.425 3.901 20 0 EHADMM CCC1(C)CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000736929650 599717918 /nfs/dbraw/zinc/71/79/18/599717918.db2.gz OSNHNMLVHQXCAF-AWEZNQCLSA-N -1 1 332.444 3.532 20 0 EHADMM O=C([O-])[C@H](NCc1cc(Br)ccc1F)c1ccccc1 ZINC000050507898 599786639 /nfs/dbraw/zinc/78/66/39/599786639.db2.gz JAQCKXKEYFFAPT-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000263578835 600144467 /nfs/dbraw/zinc/14/44/67/600144467.db2.gz TVMPFBHYZWSMAN-GOSISDBHSA-N -1 1 325.408 3.737 20 0 EHADMM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC000740072987 600202035 /nfs/dbraw/zinc/20/20/35/600202035.db2.gz ZRMFLOVKHPXFHN-UHFFFAOYSA-N -1 1 347.783 3.742 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1csc(-c3ccsc3)n1)CC2 ZINC000405366670 600302352 /nfs/dbraw/zinc/30/23/52/600302352.db2.gz VGDGXBKCIYUMSF-ZDUSSCGKSA-N -1 1 334.466 3.558 20 0 EHADMM CC[C@H](C)CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736879213 600324948 /nfs/dbraw/zinc/32/49/48/600324948.db2.gz BAEAPLFSWPDDQJ-VIFPVBQESA-N -1 1 347.242 3.608 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000738761770 600418346 /nfs/dbraw/zinc/41/83/46/600418346.db2.gz URIZSOJVQMUNLQ-OCCSQVGLSA-N -1 1 347.846 3.687 20 0 EHADMM Cc1oc(CN(C)Cc2cc(F)cc3cccnc32)cc1C(=O)[O-] ZINC000738967081 600430549 /nfs/dbraw/zinc/43/05/49/600430549.db2.gz MURPIZQDXPTCAJ-UHFFFAOYSA-N -1 1 328.343 3.606 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000574458790 600440806 /nfs/dbraw/zinc/44/08/06/600440806.db2.gz WRPFYQVHKPKRNI-OCCSQVGLSA-N -1 1 345.370 3.773 20 0 EHADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000738522095 600443056 /nfs/dbraw/zinc/44/30/56/600443056.db2.gz ZYXHLMLTWXVYBT-OAHLLOKOSA-N -1 1 344.455 3.676 20 0 EHADMM COc1ccc2nc(S[C@H](C(=O)[O-])c3ccccc3F)[nH]c2c1 ZINC000832510205 600832096 /nfs/dbraw/zinc/83/20/96/600832096.db2.gz GOXLTQXPDTYTMX-AWEZNQCLSA-N -1 1 332.356 3.629 20 0 EHADMM Cc1ccccc1[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000263577507 600833173 /nfs/dbraw/zinc/83/31/73/600833173.db2.gz RNFQBWMNMNOWME-HNAYVOBHSA-N -1 1 325.408 3.655 20 0 EHADMM O=C([O-])c1ccc(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)cc1 ZINC000740134868 600987621 /nfs/dbraw/zinc/98/76/21/600987621.db2.gz HQOYNEULQAQPQB-UHFFFAOYSA-N -1 1 347.346 3.740 20 0 EHADMM O=C([O-])NCCCC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000833280058 601385365 /nfs/dbraw/zinc/38/53/65/601385365.db2.gz FTLWDURGMIYSPJ-UHFFFAOYSA-N -1 1 344.415 3.597 20 0 EHADMM CCC1CCC(NCC(=O)Nc2c(C)cc(C)cc2C)(C(=O)[O-])CC1 ZINC000829101538 601494988 /nfs/dbraw/zinc/49/49/88/601494988.db2.gz QTFFDIPZLFBWDQ-UHFFFAOYSA-N -1 1 346.471 3.564 20 0 EHADMM O=C([O-])c1ccc(CN2CCSC[C@H]2c2ccccc2)cc1F ZINC000833314174 601641072 /nfs/dbraw/zinc/64/10/72/601641072.db2.gz IIOPHHZYAFNXEG-KRWDZBQOSA-N -1 1 331.412 3.814 20 0 EHADMM O=C([O-])c1ccc(CN2CCS[C@@H](c3ccccc3)C2)cc1F ZINC000833314011 601641279 /nfs/dbraw/zinc/64/12/79/601641279.db2.gz DZYSBDWUEHKJRE-QGZVFWFLSA-N -1 1 331.412 3.814 20 0 EHADMM O=C([O-])c1sccc1CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000833347820 601806305 /nfs/dbraw/zinc/80/63/05/601806305.db2.gz VEXHQOWOCARBLI-ZDUSSCGKSA-N -1 1 337.466 3.689 20 0 EHADMM O=C([O-])c1sccc1CSc1n[nH]c(CCC2CCCC2)n1 ZINC000833348436 601809243 /nfs/dbraw/zinc/80/92/43/601809243.db2.gz VGUNTNUROOCDFT-UHFFFAOYSA-N -1 1 337.470 3.980 20 0 EHADMM O=C([O-])c1sccc1CSc1nc(CCC2CCCC2)n[nH]1 ZINC000833348436 601809245 /nfs/dbraw/zinc/80/92/45/601809245.db2.gz VGUNTNUROOCDFT-UHFFFAOYSA-N -1 1 337.470 3.980 20 0 EHADMM O=C([O-])c1sccc1CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000581890081 601828572 /nfs/dbraw/zinc/82/85/72/601828572.db2.gz ZXBILXMQTJRWSF-CYBMUJFWSA-N -1 1 347.411 3.680 20 0 EHADMM Cc1nc([C@H](C)[N@H+]2CC[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000576234148 602015058 /nfs/dbraw/zinc/01/50/58/602015058.db2.gz XFRFJAPNOCHZJM-WCQYABFASA-N -1 1 334.803 3.771 20 0 EHADMM c1ccc(Oc2cccc(NCc3ccnc(-c4nnn[n-]4)c3)c2)cc1 ZINC000826522561 607546583 /nfs/dbraw/zinc/54/65/83/607546583.db2.gz GVCSQSHPZKMVIE-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM c1ccc(Oc2cccc(NCc3ccnc(-c4nn[n-]n4)c3)c2)cc1 ZINC000826522561 607546585 /nfs/dbraw/zinc/54/65/85/607546585.db2.gz GVCSQSHPZKMVIE-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000830369602 602238103 /nfs/dbraw/zinc/23/81/03/602238103.db2.gz PCUCOYZKXJRMMD-CYBMUJFWSA-N -1 1 347.436 3.839 20 0 EHADMM O=C([O-])c1ccc(-c2nc(CN3CCC4(CCC4)C3)cs2)cc1 ZINC000833308527 602240458 /nfs/dbraw/zinc/24/04/58/602240458.db2.gz RMUKLILQAKZFFY-UHFFFAOYSA-N -1 1 328.437 3.884 20 0 EHADMM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739066073 603067188 /nfs/dbraw/zinc/06/71/88/603067188.db2.gz WPJMPXAZWKKUFD-GJZGRUSLSA-N -1 1 343.427 3.724 20 0 EHADMM C[C@@H](NCC1(NC(=O)[O-])CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000825484186 603640746 /nfs/dbraw/zinc/64/07/46/603640746.db2.gz FRRIDIFFNNTSCB-CQSZACIVSA-N -1 1 343.427 3.963 20 0 EHADMM C[C@@H](NCC[C@H]1CCCN(C(=O)[O-])C1)c1ncc(-c2ccccc2)o1 ZINC000825490914 603642883 /nfs/dbraw/zinc/64/28/83/603642883.db2.gz SDHDYYGQZJUECA-HUUCEWRRSA-N -1 1 343.427 3.772 20 0 EHADMM CN(Cc1ccc(-c2nc3ccccc3s2)o1)C(C)(C)C(=O)[O-] ZINC000833693996 604627777 /nfs/dbraw/zinc/62/77/77/604627777.db2.gz DOOMNOVGAKLHFN-UHFFFAOYSA-N -1 1 330.409 3.851 20 0 EHADMM COc1ccc2c(c1)CN([C@@H](C(=O)[O-])c1cccc(Cl)c1)CC2 ZINC000832493591 604968745 /nfs/dbraw/zinc/96/87/45/604968745.db2.gz KMJHYDYOMLCLAN-QGZVFWFLSA-N -1 1 331.799 3.533 20 0 EHADMM C[C@H]1C[C@H](NCc2cccc(OCC(=O)[O-])c2)c2ccsc2S1 ZINC000833740516 605003010 /nfs/dbraw/zinc/00/30/10/605003010.db2.gz BZKJCFQAFWOLRM-NHYWBVRUSA-N -1 1 349.477 3.927 20 0 EHADMM C[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc(Cl)s1 ZINC000833410589 605057759 /nfs/dbraw/zinc/05/77/59/605057759.db2.gz DATVCCZKOUQUFI-ZETCQYMHSA-N -1 1 349.799 3.718 20 0 EHADMM CCCOc1ccc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000833652789 605076760 /nfs/dbraw/zinc/07/67/60/605076760.db2.gz ZSNOYXMBPRRULM-CYBMUJFWSA-N -1 1 347.411 3.934 20 0 EHADMM O=C([O-])Nc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cn1 ZINC000834259919 606021825 /nfs/dbraw/zinc/02/18/25/606021825.db2.gz IYUPRMGULGVLEX-AWEZNQCLSA-N -1 1 347.802 3.828 20 0 EHADMM c1ccc(Cc2ccc(Oc3ncccc3-c3nn[n-]n3)cc2)cc1 ZINC000823787351 606431635 /nfs/dbraw/zinc/43/16/35/606431635.db2.gz LNEXJDXLZHMSPG-UHFFFAOYSA-N -1 1 329.363 3.645 20 0 EHADMM CC1(C)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1c1ccccc1 ZINC000820607398 606458090 /nfs/dbraw/zinc/45/80/90/606458090.db2.gz STHVOXARKSXJJM-OAHLLOKOSA-N -1 1 340.818 3.503 20 0 EHADMM CC1(C)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC000820607398 606458091 /nfs/dbraw/zinc/45/80/91/606458091.db2.gz STHVOXARKSXJJM-OAHLLOKOSA-N -1 1 340.818 3.503 20 0 EHADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1CCC1CCCC1 ZINC000823484357 607163979 /nfs/dbraw/zinc/16/39/79/607163979.db2.gz WRHXTOFZKBYYNH-ZDUSSCGKSA-N -1 1 345.472 3.503 20 0 EHADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1CCC1CCCC1 ZINC000823484357 607163981 /nfs/dbraw/zinc/16/39/81/607163981.db2.gz WRHXTOFZKBYYNH-ZDUSSCGKSA-N -1 1 345.472 3.503 20 0 EHADMM CSc1c(F)cc(NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826229927 608134764 /nfs/dbraw/zinc/13/47/64/608134764.db2.gz WYRGCHPYXJIZTK-UHFFFAOYSA-N -1 1 339.396 3.540 20 0 EHADMM C[C@@H](c1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824773198 608413536 /nfs/dbraw/zinc/41/35/36/608413536.db2.gz ZKBZZHYKLZVVLS-ZDUSSCGKSA-N -1 1 344.378 3.601 20 0 EHADMM C[C@@H](c1ccccc1)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824773198 608413538 /nfs/dbraw/zinc/41/35/38/608413538.db2.gz ZKBZZHYKLZVVLS-ZDUSSCGKSA-N -1 1 344.378 3.601 20 0 EHADMM Cc1c(Cl)cnc(Oc2ccc(Cl)cc2F)c1-c1nn[n-]n1 ZINC000826240893 609522395 /nfs/dbraw/zinc/52/23/95/609522395.db2.gz KNLASQIASODCJI-UHFFFAOYSA-N -1 1 340.145 3.808 20 0 EHADMM Cc1ccc2c(c1)[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H](C)C2 ZINC000826294403 609570252 /nfs/dbraw/zinc/57/02/52/609570252.db2.gz QLDLGBLHJAKGGK-UFBFGSQYSA-N -1 1 346.847 3.630 20 0 EHADMM Cc1ccc2c(c1)[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H](C)C2 ZINC000826294403 609570255 /nfs/dbraw/zinc/57/02/55/609570255.db2.gz QLDLGBLHJAKGGK-UFBFGSQYSA-N -1 1 346.847 3.630 20 0 EHADMM C[C@H]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000824899747 946980958 /nfs/dbraw/zinc/98/09/58/946980958.db2.gz NSIKEJLEWSFJJN-UWVGGRQHSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@H]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899747 946980970 /nfs/dbraw/zinc/98/09/70/946980970.db2.gz NSIKEJLEWSFJJN-UWVGGRQHSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302493634 950567146 /nfs/dbraw/zinc/56/71/46/950567146.db2.gz JMYQHPXCLLSKLI-UHIISALHSA-N -1 1 326.234 3.553 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2c(F)cccc2Br)C1 ZINC000394775733 951455980 /nfs/dbraw/zinc/45/59/80/951455980.db2.gz IVSXMOCZGXBTNU-HNNXBMFYSA-N -1 1 344.224 3.665 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC001589307780 953759188 /nfs/dbraw/zinc/75/91/88/953759188.db2.gz DCGKQNNDUJPNQS-VHSXEESVSA-N -1 1 342.317 3.532 20 0 EHADMM Cn1nc(C(=O)[O-])cc1CN1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000635302862 953877074 /nfs/dbraw/zinc/87/70/74/953877074.db2.gz DUYJCLVEZKKAID-CPFIRTDXSA-N -1 1 339.439 3.576 20 0 EHADMM CC(C)CCN1Cc2cccc(NC(=O)CCCCC(=O)[O-])c2C1 ZINC001573517792 959113726 /nfs/dbraw/zinc/11/37/26/959113726.db2.gz GVDSHZWUNQRNCD-UHFFFAOYSA-N -1 1 332.444 3.632 20 0 EHADMM C[C@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)CC2(CCCCC2)O1 ZINC001327712424 961178660 /nfs/dbraw/zinc/17/86/60/961178660.db2.gz YTDICFOBFYSZDV-BBRMVZONSA-N -1 1 337.847 3.889 20 0 EHADMM Cn1nc(C(=O)[O-])cc1CN(Cc1ccc(F)cc1)C1CCCCC1 ZINC001574466861 961576793 /nfs/dbraw/zinc/57/67/93/961576793.db2.gz IVBPCDNWTUJWAP-UHFFFAOYSA-N -1 1 345.418 3.592 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(Br)ccc1Cl ZINC000300514238 963013812 /nfs/dbraw/zinc/01/38/12/963013812.db2.gz GNVCIBRSJFLCAW-GFCCVEGCSA-N -1 1 346.652 3.932 20 0 EHADMM O=C(CCc1ccoc1)Nc1c([O-])cc(Br)cc1Cl ZINC000580588526 1019703525 /nfs/dbraw/zinc/70/35/25/1019703525.db2.gz OJKFIZBYXCCGBK-UHFFFAOYSA-N -1 1 344.592 3.972 20 0 EHADMM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000663032954 968764449 /nfs/dbraw/zinc/76/44/49/968764449.db2.gz UOPIHMWCMNUJOA-AWEZNQCLSA-N -1 1 341.367 3.508 20 0 EHADMM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1OCC ZINC000426767900 974048131 /nfs/dbraw/zinc/04/81/31/974048131.db2.gz RVWFLAUBNRGWNC-GOSISDBHSA-N -1 1 347.386 3.539 20 0 EHADMM O=C([O-])CC1(CN2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000575874986 974803398 /nfs/dbraw/zinc/80/33/98/974803398.db2.gz OORCHJHVRXKXNW-AWEZNQCLSA-N -1 1 325.861 3.685 20 0 EHADMM C[C@@H](CCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC001592469955 978216473 /nfs/dbraw/zinc/21/64/73/978216473.db2.gz CQTCRNDAJYBSGA-LBPRGKRZSA-N -1 1 337.379 3.784 20 0 EHADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@@H](C)C(C)(C)C)CC2 ZINC000872159264 980043968 /nfs/dbraw/zinc/04/39/68/980043968.db2.gz CASVNDWMRXDXFW-CJNGLKHVSA-N -1 1 349.471 3.760 20 0 EHADMM O=C([O-])[C@H](CNCc1csc(C(F)(F)F)n1)CC1CCCC1 ZINC000900083379 980249808 /nfs/dbraw/zinc/24/98/08/980249808.db2.gz GIZGVLVIVROVCR-JTQLQIEISA-N -1 1 336.379 3.533 20 0 EHADMM CC[C@@H](NCCOc1ccc(/C=C\C(=O)[O-])cc1)c1nc(C)cs1 ZINC001595294347 980408372 /nfs/dbraw/zinc/40/83/72/980408372.db2.gz PRHTUPMZTXTQJX-CXOKCQFOSA-N -1 1 346.452 3.669 20 0 EHADMM C[C@@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000901622480 980410122 /nfs/dbraw/zinc/41/01/22/980410122.db2.gz NZERFQKOPHPWPD-SGTLLEGYSA-N -1 1 331.362 3.752 20 0 EHADMM CN(C)c1ccc(/C=C\CN2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000901746859 980477574 /nfs/dbraw/zinc/47/75/74/980477574.db2.gz ZSRBUZFWIDWNHN-PLNGDYQASA-N -1 1 336.435 3.522 20 0 EHADMM O=C([O-])[C@@H](CC(F)F)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901810654 980531709 /nfs/dbraw/zinc/53/17/09/980531709.db2.gz AXVGHADKQLVOJA-LLVKDONJSA-N -1 1 346.786 3.662 20 0 EHADMM O=C(NCc1cnn(-c2ccccc2)c1)c1cc2ccccc2cc1[O-] ZINC000014407404 1014675562 /nfs/dbraw/zinc/67/55/62/1014675562.db2.gz OIXMHKBOZUHIAA-UHFFFAOYSA-N -1 1 343.386 3.661 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CNCc1cc(Br)ccc1C ZINC000902362912 980853292 /nfs/dbraw/zinc/85/32/92/980853292.db2.gz GLQKJHQOXTUDOI-UHFFFAOYSA-N -1 1 338.201 3.647 20 0 EHADMM CC(C)CCO[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000902489241 980908038 /nfs/dbraw/zinc/90/80/38/980908038.db2.gz MJFXIAAQFMSNOD-CQSZACIVSA-N -1 1 325.836 3.675 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1cc(Cl)cc2c1OCC2 ZINC000904261946 981083997 /nfs/dbraw/zinc/08/39/97/981083997.db2.gz SWICLCYQACTIIB-SECBINFHSA-N -1 1 337.828 3.885 20 0 EHADMM O=C([O-])c1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)nc1 ZINC000905726070 981124808 /nfs/dbraw/zinc/12/48/08/981124808.db2.gz GELHKCPWIVHROH-GOSISDBHSA-N -1 1 328.387 3.940 20 0 EHADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccsc2Cl)cc1 ZINC000683171635 1014729020 /nfs/dbraw/zinc/72/90/20/1014729020.db2.gz NTXPBBWYHSLQRX-ZDUSSCGKSA-N -1 1 325.817 3.716 20 0 EHADMM CCSc1cccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683172791 1014737994 /nfs/dbraw/zinc/73/79/94/1014737994.db2.gz HMBRNBVHCIQQDT-INIZCTEOSA-N -1 1 337.391 3.992 20 0 EHADMM CC[C@H](C(=O)[O-])C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC001594759160 981685725 /nfs/dbraw/zinc/68/57/25/981685725.db2.gz DVRCKHFKBLKJSX-ZDUSSCGKSA-N -1 1 329.400 3.660 20 0 EHADMM CC[C@H](C)Oc1cc(-c2nc3ncc(C(=O)[O-])cc3[nH]2)ccc1OC ZINC001594997149 982904757 /nfs/dbraw/zinc/90/47/57/982904757.db2.gz ZQQHZPJRIKUUAU-JTQLQIEISA-N -1 1 341.367 3.509 20 0 EHADMM Cc1[nH]c(C(=O)CNC(C)(C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC001599946217 985532209 /nfs/dbraw/zinc/53/22/09/985532209.db2.gz BNQHFVVDZIMHAI-UHFFFAOYSA-N -1 1 348.830 3.691 20 0 EHADMM Cc1[nH]c(CNCc2ccc(Cl)cc2OC(C)C)cc1C(=O)[O-] ZINC001599963645 985849461 /nfs/dbraw/zinc/84/94/61/985849461.db2.gz PLGGTCXSJCJXHZ-UHFFFAOYSA-N -1 1 336.819 3.752 20 0 EHADMM CCc1csc(CC2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)n1 ZINC000655262969 1015276952 /nfs/dbraw/zinc/27/69/52/1015276952.db2.gz QEGNZXSXQJJTSY-UHFFFAOYSA-N -1 1 348.443 3.645 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1C ZINC000547702624 1015318062 /nfs/dbraw/zinc/31/80/62/1015318062.db2.gz CGKOAIKOUKAPSM-UHFFFAOYSA-N -1 1 344.436 3.984 20 0 EHADMM CCc1[nH]c(CN2CCC[C@@H]2Cc2cc(F)ccc2F)cc1C(=O)[O-] ZINC001597387059 987612015 /nfs/dbraw/zinc/61/20/15/987612015.db2.gz VLRYOGIPMIUKNP-OAHLLOKOSA-N -1 1 348.393 3.761 20 0 EHADMM O=S(=O)([N-]CCc1ccccc1)c1cc(Cl)sc1Cl ZINC000032548451 1015459976 /nfs/dbraw/zinc/45/99/76/1015459976.db2.gz QLIKORJEAUCCFT-UHFFFAOYSA-N -1 1 336.265 3.576 20 0 EHADMM CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001590546015 990187547 /nfs/dbraw/zinc/18/75/47/990187547.db2.gz YWWKLWKIXKBISX-UHFFFAOYSA-N -1 1 343.408 3.872 20 0 EHADMM COc1cccc2c1CN([C@H](C(=O)[O-])c1cccc(Cl)c1)CC2 ZINC001599691925 991083679 /nfs/dbraw/zinc/08/36/79/991083679.db2.gz KIGKYDASSZMNPI-KRWDZBQOSA-N -1 1 331.799 3.533 20 0 EHADMM CC(C)COc1cccc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001591401207 992471093 /nfs/dbraw/zinc/47/10/93/992471093.db2.gz FRDZHBDEADBRPF-UHFFFAOYSA-N -1 1 339.435 3.978 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)Cc1cc(F)cc(F)c1 ZINC001598508620 992537979 /nfs/dbraw/zinc/53/79/79/992537979.db2.gz RIICJLBJZBCLEQ-UHFFFAOYSA-N -1 1 325.742 3.948 20 0 EHADMM CN(c1ccccc1)C1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001598543965 992925738 /nfs/dbraw/zinc/92/57/38/992925738.db2.gz ABWHPZPQMSCRFN-UHFFFAOYSA-N -1 1 342.414 3.625 20 0 EHADMM C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(C(=O)[O-])o1 ZINC001593195818 994150625 /nfs/dbraw/zinc/15/06/25/994150625.db2.gz FZCJDCJLSQWKPE-VXGBXAGGSA-N -1 1 342.395 3.738 20 0 EHADMM C[C@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cc(C(=O)[O-])co1 ZINC001593196680 994157386 /nfs/dbraw/zinc/15/73/86/994157386.db2.gz IETOSPWPUJPJCE-STQMWFEESA-N -1 1 342.395 3.516 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(/C=C\C(=O)[O-])o1)[C@@H]2C ZINC001599626905 994162152 /nfs/dbraw/zinc/16/21/52/994162152.db2.gz OBLMZJJIGCBENB-MHVKHXTKSA-N -1 1 341.407 3.894 20 0 EHADMM C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccccc1OCC(=O)[O-] ZINC001593208414 994224981 /nfs/dbraw/zinc/22/49/81/994224981.db2.gz BUFOWPCLDUZGSF-VBKZILBWSA-N -1 1 340.423 3.737 20 0 EHADMM COc1ccc2cc(CN(C)Cc3occc3C(=O)[O-])ccc2c1 ZINC001599634987 994274412 /nfs/dbraw/zinc/27/44/12/994274412.db2.gz ISEJVNDUVNENSU-UHFFFAOYSA-N -1 1 325.364 3.772 20 0 EHADMM C[C@H](NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(C(=O)[O-])co1 ZINC001593246861 994459275 /nfs/dbraw/zinc/45/92/75/994459275.db2.gz OOTNENFHAMDGFN-UFBFGSQYSA-N -1 1 344.194 3.669 20 0 EHADMM C[C@@H](NCC1(Sc2ccccc2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593251901 994500615 /nfs/dbraw/zinc/50/06/15/994500615.db2.gz LUCQFTGRQCIUNX-LLVKDONJSA-N -1 1 334.466 3.817 20 0 EHADMM COc1cccc([C@H](N[C@@H](C)c2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC001599659179 994629812 /nfs/dbraw/zinc/62/98/12/994629812.db2.gz HPEJZEFNICUSEU-QFYYESIMSA-N -1 1 337.778 3.964 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)c1cncs1 ZINC001593295575 994692636 /nfs/dbraw/zinc/69/26/36/994692636.db2.gz GNMMMRXDJFYQGQ-MRVPVSSYSA-N -1 1 330.331 3.711 20 0 EHADMM CNc1ccccc1CN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001598679294 994900664 /nfs/dbraw/zinc/90/06/64/994900664.db2.gz CVGOXYPOWMENRF-AWEZNQCLSA-N -1 1 331.441 3.529 20 0 EHADMM C[C@H](Nc1ccc(N2CCCCCC2)cc1)c1nc(C(=O)[O-])co1 ZINC001593362076 995029288 /nfs/dbraw/zinc/02/92/88/995029288.db2.gz CPXRHNYPFBHFDQ-ZDUSSCGKSA-N -1 1 329.400 3.926 20 0 EHADMM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc([O-])cc3F)nc2c1 ZINC000154888488 1015909424 /nfs/dbraw/zinc/90/94/24/1015909424.db2.gz ZRQCSUMTNLSKFE-KRWDZBQOSA-N -1 1 339.370 3.693 20 0 EHADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc([O-])cc3F)[nH]c2c1 ZINC000154888488 1015909435 /nfs/dbraw/zinc/90/94/35/1015909435.db2.gz ZRQCSUMTNLSKFE-KRWDZBQOSA-N -1 1 339.370 3.693 20 0 EHADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001593732803 996316094 /nfs/dbraw/zinc/31/60/94/996316094.db2.gz ZPHCGESVIVCYMD-YPMHNXCESA-N -1 1 334.416 3.606 20 0 EHADMM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000339950867 1016038717 /nfs/dbraw/zinc/03/87/17/1016038717.db2.gz JCIQWMCWSLLFSO-QGZVFWFLSA-N -1 1 338.432 3.871 20 0 EHADMM COc1cc(C=CC(=O)[O-])ccc1OCc1ccc2nc(C)[nH]c2c1 ZINC001599398838 997178069 /nfs/dbraw/zinc/17/80/69/997178069.db2.gz JBGXGRANOMQHMP-YVMONPNESA-N -1 1 338.363 3.557 20 0 EHADMM COc1cc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)ccc1C ZINC001599409198 997389235 /nfs/dbraw/zinc/38/92/35/997389235.db2.gz UJZOSBJPMGEASF-ROUUACIJSA-N -1 1 325.408 3.794 20 0 EHADMM CO[C@H]1CCCC[C@@H]1NCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001599325669 997659015 /nfs/dbraw/zinc/65/90/15/997659015.db2.gz QEYYODPRBHIQKK-HOTGVXAUSA-N -1 1 346.452 3.556 20 0 EHADMM CO[C@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC001599117011 997671565 /nfs/dbraw/zinc/67/15/65/997671565.db2.gz USNQLXDCOVWUMJ-INIZCTEOSA-N -1 1 346.452 3.509 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2)cc1F ZINC001599539800 997815734 /nfs/dbraw/zinc/81/57/34/997815734.db2.gz UUUMSGVGLJOQOX-QGZVFWFLSA-N -1 1 329.371 3.870 20 0 EHADMM COc1ccc(CN(C)Cc2csc(C(=O)[O-])c2)cc1Cl ZINC001599557906 998128066 /nfs/dbraw/zinc/12/80/66/998128066.db2.gz FSCJELYXKNTGGW-UHFFFAOYSA-N -1 1 325.817 3.740 20 0 EHADMM CCc1c(C)[n-]n(-c2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1=O ZINC000634615782 1016264441 /nfs/dbraw/zinc/26/44/41/1016264441.db2.gz QZYPQFVYECUMNJ-ZDUSSCGKSA-N -1 1 348.328 3.911 20 0 EHADMM Cc1ncoc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000683344892 1016284363 /nfs/dbraw/zinc/28/43/63/1016284363.db2.gz HNWIVPAWOCNWAT-ZDUSSCGKSA-N -1 1 340.408 3.555 20 0 EHADMM O=C(NCc1ccc(Cl)s1)c1ccc(Br)c([O-])c1 ZINC000179461088 1016872090 /nfs/dbraw/zinc/87/20/90/1016872090.db2.gz VIHJWUXAJHPSRH-UHFFFAOYSA-N -1 1 346.633 3.800 20 0 EHADMM CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000180327613 1016897472 /nfs/dbraw/zinc/89/74/72/1016897472.db2.gz VRFNAFCVVCGVIP-UHFFFAOYSA-N -1 1 338.285 3.622 20 0 EHADMM Cc1cc(C(F)(F)C(=O)[N-]CC2(C(F)(F)F)CC2)cnc1Cl ZINC000935952075 1016902162 /nfs/dbraw/zinc/90/21/62/1016902162.db2.gz SZHLKTAKXYRZPT-UHFFFAOYSA-N -1 1 342.695 3.594 20 0 EHADMM COc1ccccc1CC1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000181204102 1016916363 /nfs/dbraw/zinc/91/63/63/1016916363.db2.gz LTXVYXCNFDGUNR-UHFFFAOYSA-N -1 1 343.398 3.635 20 0 EHADMM O=C(CCC(=O)Nc1ccc(F)cc1[O-])CCC(=O)c1cccs1 ZINC000340331823 1016950001 /nfs/dbraw/zinc/95/00/01/1016950001.db2.gz BZVRVCFBXUTEAL-UHFFFAOYSA-N -1 1 349.383 3.544 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1-c1nccs1 ZINC000340331857 1016953932 /nfs/dbraw/zinc/95/39/32/1016953932.db2.gz CFPRULSPQDWZMP-UHFFFAOYSA-N -1 1 331.372 3.648 20 0 EHADMM CC(C)O[C@@H](CN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000659790560 1017017269 /nfs/dbraw/zinc/01/72/69/1017017269.db2.gz ALBOPKQKYQXPSS-IBGZPJMESA-N -1 1 325.408 3.867 20 0 EHADMM Cn1ccnc1Sc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181859148 1017017883 /nfs/dbraw/zinc/01/78/83/1017017883.db2.gz GNYBBTFNLHMJAR-UHFFFAOYSA-N -1 1 343.383 3.668 20 0 EHADMM CCC(CC)n1ccc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC000659796450 1017036059 /nfs/dbraw/zinc/03/60/59/1017036059.db2.gz AHMMYGTVVVIRBZ-MOPGFXCFSA-N -1 1 341.455 3.544 20 0 EHADMM Cc1ccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(Cl)c1 ZINC000188143646 1017061196 /nfs/dbraw/zinc/06/11/96/1017061196.db2.gz JZHFZPBTKGHGBD-UHFFFAOYSA-N -1 1 349.843 3.752 20 0 EHADMM [O-]c1ccc(Cc2nc(COc3cccc(F)c3)no2)cc1Cl ZINC000904725320 1032197058 /nfs/dbraw/zinc/19/70/58/1032197058.db2.gz BKEREYZPZSDDBZ-UHFFFAOYSA-N -1 1 334.734 3.738 20 0 EHADMM CN1CCN(C(=O)c2cc3ccccc3cc2[O-])c2cc(F)ccc21 ZINC000536722389 1032211611 /nfs/dbraw/zinc/21/16/11/1032211611.db2.gz HCXLQJSMCDDPMR-UHFFFAOYSA-N -1 1 336.366 3.781 20 0 EHADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000584383417 1032310615 /nfs/dbraw/zinc/31/06/15/1032310615.db2.gz ZFJJGIKKYSYGSL-UHFFFAOYSA-N -1 1 339.844 3.904 20 0 EHADMM CC(C)c1nn(C)c(Cl)c1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000905008840 1032315879 /nfs/dbraw/zinc/31/58/79/1032315879.db2.gz JRXNLSYBFJCEEU-DZGCQCFKSA-N -1 1 347.846 3.600 20 0 EHADMM COc1ccc(Cl)cc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000905009957 1032316473 /nfs/dbraw/zinc/31/64/73/1032316473.db2.gz YWPHMLNONMVGHC-JKSUJKDBSA-N -1 1 331.799 3.751 20 0 EHADMM O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1cncc([O-])c1 ZINC000089461835 1032519629 /nfs/dbraw/zinc/51/96/29/1032519629.db2.gz HVLSEVXVYAOYEE-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM O=C(N[C@@H](c1ccncc1)C1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000890905678 1017327079 /nfs/dbraw/zinc/32/70/79/1017327079.db2.gz CURPXICOZLFKHW-OAHLLOKOSA-N -1 1 336.313 3.687 20 0 EHADMM Cc1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c1C ZINC000537415658 1032716559 /nfs/dbraw/zinc/71/65/59/1032716559.db2.gz CXGSJAOUHHFFID-CYBMUJFWSA-N -1 1 331.441 3.535 20 0 EHADMM CCS[C@H](C)c1noc(CSc2nc(CC)c(C)c(=O)[n-]2)n1 ZINC000579973963 1017927721 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COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000683889759 1019105588 /nfs/dbraw/zinc/10/55/88/1019105588.db2.gz HRUXVULZPNOZFP-HNNXBMFYSA-N -1 1 337.778 3.644 20 0 EHADMM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(C)(F)F ZINC000656186397 1019126128 /nfs/dbraw/zinc/12/61/28/1019126128.db2.gz XPSACZXVAUZBDX-UHFFFAOYSA-N -1 1 349.296 3.557 20 0 EHADMM CC[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000729078805 1019173945 /nfs/dbraw/zinc/17/39/45/1019173945.db2.gz RNQVDNVIQHHOFK-CQSZACIVSA-N -1 1 347.436 3.751 20 0 EHADMM CSc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)ccc1C ZINC001167939390 1019290287 /nfs/dbraw/zinc/29/02/87/1019290287.db2.gz UQKHUPREEBZJTL-UHFFFAOYSA-N -1 1 349.392 3.802 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000032098419 1032832391 /nfs/dbraw/zinc/83/23/91/1032832391.db2.gz VNFCWJYWUVDVNH-UHFFFAOYSA-N -1 1 347.436 3.601 20 0 EHADMM COC(=O)c1[n-]c(=N[C@@H](C)c2c(F)cccc2Cl)sc1C ZINC000433785085 1019610954 /nfs/dbraw/zinc/61/09/54/1019610954.db2.gz OZINBVFDKCJTKT-ZETCQYMHSA-N -1 1 328.796 3.626 20 0 EHADMM Cc1csc(Nc2ccc(NC(=O)c3cncc([O-])c3)cc2)n1 ZINC000126683922 1020086441 /nfs/dbraw/zinc/08/64/41/1020086441.db2.gz IVCGZPOVZGTWPU-UHFFFAOYSA-N -1 1 326.381 3.548 20 0 EHADMM Cc1ccc([C@H]2CCN(C(=O)c3c(F)ccc([O-])c3F)C2)c(C)c1 ZINC000580978432 1020329836 /nfs/dbraw/zinc/32/98/36/1020329836.db2.gz BWZQBHZQSSQFIK-ZDUSSCGKSA-N -1 1 331.362 3.917 20 0 EHADMM CCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606903255 1032896264 /nfs/dbraw/zinc/89/62/64/1032896264.db2.gz DOTAMFMPZFSVJM-QMMMGPOBSA-N -1 1 329.771 3.826 20 0 EHADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167444660 1020390632 /nfs/dbraw/zinc/39/06/32/1020390632.db2.gz KDNJWDDRGPAIIG-CHWSQXEVSA-N -1 1 341.798 3.675 20 0 EHADMM Cc1cccc(NC(=O)[C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000581100201 1020427532 /nfs/dbraw/zinc/42/75/32/1020427532.db2.gz PJNFXNIUPDBWOY-SECBINFHSA-N -1 1 339.367 3.548 20 0 EHADMM 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ZINC000111667384 1022697192 /nfs/dbraw/zinc/69/71/92/1022697192.db2.gz CPWZTVMWMAXNSG-RUDMXATFSA-N -1 1 330.771 3.656 20 0 EHADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668650 1022697428 /nfs/dbraw/zinc/69/74/28/1022697428.db2.gz UFWZUFBRORIQAY-QMMMGPOBSA-N -1 1 327.714 3.730 20 0 EHADMM Cc1ccccc1C(F)(F)CNC(=O)c1ncc2ccccc2c1[O-] ZINC001167980692 1022775944 /nfs/dbraw/zinc/77/59/44/1022775944.db2.gz RAOXXPHDUYUPLK-UHFFFAOYSA-N -1 1 342.345 3.771 20 0 EHADMM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc([O-])cc1F ZINC000188637729 1022870516 /nfs/dbraw/zinc/87/05/16/1022870516.db2.gz FEKLFVYWXPZETA-ZDUSSCGKSA-N -1 1 327.277 3.607 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3scnc3C(C)(C)C)[nH][n-]2)s1 ZINC000473829541 1022906615 /nfs/dbraw/zinc/90/66/15/1022906615.db2.gz ODVYMIHMSHCMFN-UHFFFAOYSA-N -1 1 346.481 3.875 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)ccc1F ZINC000438764376 1022989683 /nfs/dbraw/zinc/98/96/83/1022989683.db2.gz OHYQUCWBYZIPJA-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM COc1ccc(-c2ccncc2)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000426710641 1022995556 /nfs/dbraw/zinc/99/55/56/1022995556.db2.gz WVVUEQOUVVOLMA-UHFFFAOYSA-N -1 1 348.402 3.745 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438787878 1023001675 /nfs/dbraw/zinc/00/16/75/1023001675.db2.gz WWYFCNGVSRFQOW-UHFFFAOYSA-N -1 1 335.400 3.774 20 0 EHADMM Cc1ccc(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])s1 ZINC000426735652 1023003463 /nfs/dbraw/zinc/00/34/63/1023003463.db2.gz GIIAWPUFXJBIGH-INIZCTEOSA-N -1 1 335.494 3.575 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000438804794 1023008828 /nfs/dbraw/zinc/00/88/28/1023008828.db2.gz YHCRQOBLNIVOLF-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000438807022 1023018708 /nfs/dbraw/zinc/01/87/08/1023018708.db2.gz CKCNOLSRRBPDGE-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CCc1ccc([C@H](NCc2ccc(OC)cc2Cl)C(=O)[O-])cc1 ZINC000426806687 1023046523 /nfs/dbraw/zinc/04/65/23/1023046523.db2.gz 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EHADMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc3ccc(O)cc3c2[O-])no1 ZINC000895625491 1024672179 /nfs/dbraw/zinc/67/21/79/1024672179.db2.gz HBLGSSFKXFOHGD-KRWDZBQOSA-N -1 1 338.363 3.525 20 0 EHADMM O=C(COC1CCCC1)Nc1c([O-])cc(Br)cc1Cl ZINC000563195425 1024681365 /nfs/dbraw/zinc/68/13/65/1024681365.db2.gz PPSMNLSBCOYYSA-UHFFFAOYSA-N -1 1 348.624 3.706 20 0 EHADMM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)c1n[n-]c(C2CC2)n1 ZINC000507849337 1024727748 /nfs/dbraw/zinc/72/77/48/1024727748.db2.gz FDTUNNQAJWLYMI-UHFFFAOYSA-N -1 1 345.468 3.704 20 0 EHADMM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ccc(Cl)cc1O ZINC000507935221 1024771608 /nfs/dbraw/zinc/77/16/08/1024771608.db2.gz MYUPFZFNUKQHNE-UHFFFAOYSA-N -1 1 346.235 3.683 20 0 EHADMM Cc1cnc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c([O-])c1 ZINC000427763610 1024780545 /nfs/dbraw/zinc/78/05/45/1024780545.db2.gz KBLQIXXYLPLXHP-OAHLLOKOSA-N -1 1 332.350 3.741 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1 ZINC000474417320 1024920942 /nfs/dbraw/zinc/92/09/42/1024920942.db2.gz 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COc1cccc2c1[C@@H](c1nc(-c3ccc([O-])cc3F)no1)CC2 ZINC000436522428 1025825117 /nfs/dbraw/zinc/82/51/17/1025825117.db2.gz UIKXIUIINHMXNK-ZDUSSCGKSA-N -1 1 326.327 3.668 20 0 EHADMM CCOc1cc(C(=O)Nc2cc3c(cn2)CCC3)cc(Cl)c1[O-] ZINC000582320650 1025830610 /nfs/dbraw/zinc/83/06/10/1025830610.db2.gz KJONQNZEMQGLQK-UHFFFAOYSA-N -1 1 332.787 3.580 20 0 EHADMM COc1cc2nc(C)sc2cc1NC(=O)c1cc(F)ccc1[O-] ZINC000436531669 1025838228 /nfs/dbraw/zinc/83/82/28/1025838228.db2.gz DLCBKALBCWXFDO-UHFFFAOYSA-N -1 1 332.356 3.710 20 0 EHADMM Cc1ccc(S[C@H](C)C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000515986549 1025838536 /nfs/dbraw/zinc/83/85/36/1025838536.db2.gz SHEKDVQJOMDDQP-GFCCVEGCSA-N -1 1 343.477 3.988 20 0 EHADMM COc1cc(F)c(NC(=O)c2ccc(C(C)C)cc2[O-])cc1OC ZINC000436552657 1025858720 /nfs/dbraw/zinc/85/87/20/1025858720.db2.gz AMFUMOVJZYPFMG-UHFFFAOYSA-N -1 1 333.359 3.924 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000436552025 1025859359 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20 0 EHADMM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531486404 1026979338 /nfs/dbraw/zinc/97/93/38/1026979338.db2.gz HFVHNOOMQXCWNQ-ZFWWWQNUSA-N -1 1 339.482 3.775 20 0 EHADMM Cc1nsc([N-]c2cnn(-c3cccc(C(F)(F)F)c3)c2)n1 ZINC000301946104 1027003811 /nfs/dbraw/zinc/00/38/11/1027003811.db2.gz BTMGRIRUCXELTP-UHFFFAOYSA-N -1 1 325.319 3.795 20 0 EHADMM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cscn1 ZINC000075468759 1027136788 /nfs/dbraw/zinc/13/67/88/1027136788.db2.gz AFDGERAIYGVEDY-UHFFFAOYSA-N -1 1 334.451 3.539 20 0 EHADMM CC(=O)[C@@H](C)CCCCC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000419915596 1027239902 /nfs/dbraw/zinc/23/99/02/1027239902.db2.gz XURGXXDQGRSQDH-NSHDSACASA-N -1 1 349.381 3.501 20 0 EHADMM CS[C@H]1CCC[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078267280 1027594132 /nfs/dbraw/zinc/59/41/32/1027594132.db2.gz HVKKIRISKGSUMF-GJZGRUSLSA-N -1 1 344.484 3.535 20 0 EHADMM Cc1ccc([C@@H](C)CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000078294836 1027636517 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O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccccc1)CC1CCC1 ZINC000066349640 1028260273 /nfs/dbraw/zinc/26/02/73/1028260273.db2.gz DAUJCLMRICNORT-UHFFFAOYSA-N -1 1 347.418 3.778 20 0 EHADMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ncccc1[O-] ZINC000153630265 1028419584 /nfs/dbraw/zinc/41/95/84/1028419584.db2.gz YOBMSRHCSOLKHP-UHFFFAOYSA-N -1 1 325.195 3.756 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(Nc2ccc(F)cc2)CC1 ZINC000195318632 1028629164 /nfs/dbraw/zinc/62/91/64/1028629164.db2.gz SBZYDRKKOHARCS-UHFFFAOYSA-N -1 1 348.805 3.901 20 0 EHADMM CC[C@@H](C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445392815 1028748965 /nfs/dbraw/zinc/74/89/65/1028748965.db2.gz OROFMBUTSLAYND-SSDOTTSWSA-N -1 1 327.178 3.727 20 0 EHADMM CCOc1cc(-c2noc(CCOCC(C)C)n2)cc(Cl)c1[O-] ZINC000445408236 1028765608 /nfs/dbraw/zinc/76/56/08/1028765608.db2.gz BKMMQRUUFZZSAH-UHFFFAOYSA-N -1 1 340.807 3.709 20 0 EHADMM COc1ccc(-c2nc(CN3CCC(CC(=O)[O-])CC3)cs2)cc1 ZINC000583089839 1028794228 /nfs/dbraw/zinc/79/42/28/1028794228.db2.gz NZEBNQGMCTXPQK-UHFFFAOYSA-N -1 1 346.452 3.505 20 0 EHADMM Cc1cccc(OCCCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445458891 1028826692 /nfs/dbraw/zinc/82/66/92/1028826692.db2.gz VUAFUKPRRKKJSW-UHFFFAOYSA-N -1 1 328.343 3.901 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc4c(c3O)CCCC4)n2)cc1F ZINC000445478907 1028836877 /nfs/dbraw/zinc/83/68/77/1028836877.db2.gz TVXXGGATBLOCPE-UHFFFAOYSA-N -1 1 326.327 3.833 20 0 EHADMM COc1ccc2[nH]cc(Cc3nc(-c4ccc([O-])c(F)c4)no3)c2c1 ZINC000445478958 1028839941 /nfs/dbraw/zinc/83/99/41/1028839941.db2.gz IKGSXFCZZDHWLM-UHFFFAOYSA-N -1 1 339.326 3.662 20 0 EHADMM COc1ccc([C@@H](C)Cc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445480671 1028840089 /nfs/dbraw/zinc/84/00/89/1028840089.db2.gz MPWLPVGRHUTGLI-NSHDSACASA-N -1 1 328.343 3.936 20 0 EHADMM COc1cc(C(=O)Nc2ncc(C(C)C)s2)cc(Cl)c1[O-] ZINC000153902880 1028919471 /nfs/dbraw/zinc/91/94/71/1028919471.db2.gz QZZMPEJPRPSCRM-UHFFFAOYSA-N -1 1 326.805 3.886 20 0 EHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c(C)c1 ZINC000524346727 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Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(Cl)cc1F ZINC000120542213 1030044522 /nfs/dbraw/zinc/04/45/22/1030044522.db2.gz JILBVFPIUMNQOB-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000525823030 1030147090 /nfs/dbraw/zinc/14/70/90/1030147090.db2.gz PKWSQYUVWLCFBX-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM Cn1ncc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000201719878 1030234859 /nfs/dbraw/zinc/23/48/59/1030234859.db2.gz AFKXIYWYNXJTAS-UHFFFAOYSA-N -1 1 343.452 3.672 20 0 EHADMM CC(=O)Nc1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000121607466 1030305024 /nfs/dbraw/zinc/30/50/24/1030305024.db2.gz MBFVSDUSWYUKCZ-UHFFFAOYSA-N -1 1 338.338 3.895 20 0 EHADMM COc1cc(Cl)c(C)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121658459 1030325530 /nfs/dbraw/zinc/32/55/30/1030325530.db2.gz WGIVZUQTQQNZRJ-UHFFFAOYSA-N -1 1 348.786 3.573 20 0 EHADMM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cc(F)ccc1[O-] ZINC000447712261 1030447058 /nfs/dbraw/zinc/44/70/58/1030447058.db2.gz 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CCOc1cc(C(=O)N2CCC(F)(F)C[C@H]2C)cc(Cl)c1[O-] ZINC000530016833 1034866366 /nfs/dbraw/zinc/86/63/66/1034866366.db2.gz LPAOQSJUYJARNK-SECBINFHSA-N -1 1 333.762 3.704 20 0 EHADMM CN(CCc1ccccc1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000548927656 1034886251 /nfs/dbraw/zinc/88/62/51/1034886251.db2.gz KGFFOTMHZPDFPE-UHFFFAOYSA-N -1 1 340.810 3.909 20 0 EHADMM CS[C@H](C)CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000584491237 1035093565 /nfs/dbraw/zinc/09/35/65/1035093565.db2.gz CHUGKMJSFGXTAR-ZCFIWIBFSA-N -1 1 338.654 3.888 20 0 EHADMM Cc1ncoc1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000431720005 1035360668 /nfs/dbraw/zinc/36/06/68/1035360668.db2.gz UJPJLEDBPQOGAH-UHFFFAOYSA-N -1 1 332.410 3.546 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2C)n[nH]c1-c1ccccc1 ZINC000534800187 1035630981 /nfs/dbraw/zinc/63/09/81/1035630981.db2.gz ZPHAMCKIVXJWTF-UHFFFAOYSA-N -1 1 341.436 3.803 20 0 EHADMM CCOc1cc(C(=O)NCc2cc(F)cc(F)c2)cc(Cl)c1[O-] ZINC000186583500 1035662516 /nfs/dbraw/zinc/66/25/16/1035662516.db2.gz 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COc1ccc2c(ccn2CC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666070 1128879988 /nfs/dbraw/zinc/87/99/88/1128879988.db2.gz AEZCRTNCQNCQSI-UHFFFAOYSA-N -1 1 330.771 3.648 20 0 EHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000187164984 1120488025 /nfs/dbraw/zinc/48/80/25/1120488025.db2.gz JQYLTPWYHUMVHX-UHFFFAOYSA-N -1 1 348.424 3.537 20 0 EHADMM CC(C)[C@H]1CCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494362529 1120538021 /nfs/dbraw/zinc/53/80/21/1120538021.db2.gz HWVPPJBSPJFVHY-OAHLLOKOSA-N -1 1 348.443 4.000 20 0 EHADMM COc1cccc(SC)c1[N-]C(=O)c1scc2c1OCCO2 ZINC000653885103 1120738320 /nfs/dbraw/zinc/73/83/20/1120738320.db2.gz JVMMALSQGRXXHQ-UHFFFAOYSA-N -1 1 337.422 3.502 20 0 EHADMM O=C(C=Cc1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000761746204 1120865811 /nfs/dbraw/zinc/86/58/11/1120865811.db2.gz RJMNABFPWDWUIH-WDZFZDKYSA-N -1 1 335.403 3.527 20 0 EHADMM CC[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000227353773 1120877468 /nfs/dbraw/zinc/87/74/68/1120877468.db2.gz OBYIMXWHSROLPD-NSHDSACASA-N -1 1 326.234 3.807 20 0 EHADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000229426650 1120962619 /nfs/dbraw/zinc/96/26/19/1120962619.db2.gz CCISQTYHETYTON-GMTAPVOTSA-N -1 1 326.234 3.661 20 0 EHADMM Cc1ccc(C=CS(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)cc1 ZINC000761840793 1120984449 /nfs/dbraw/zinc/98/44/49/1120984449.db2.gz ALNNKWPTKKTXTL-MDZDMXLPSA-N -1 1 333.457 3.719 20 0 EHADMM CC1(C)CCCC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000231350579 1121029225 /nfs/dbraw/zinc/02/92/25/1121029225.db2.gz WBKINSMSPVQQJJ-ZDUSSCGKSA-N -1 1 326.234 3.853 20 0 EHADMM COc1cc(C(=O)Nc2ccc(N(C)C)c(C)c2)cc(Cl)c1[O-] ZINC000153564443 1121337138 /nfs/dbraw/zinc/33/71/38/1121337138.db2.gz YWSZZCPJBYZVLM-UHFFFAOYSA-N -1 1 334.803 3.681 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)[nH]n2)o1 ZINC000762999590 1121648151 /nfs/dbraw/zinc/64/81/51/1121648151.db2.gz FQXCYODDDMOAOL-UHFFFAOYSA-N -1 1 340.364 3.660 20 0 EHADMM CC1(C)CO[C@H](CCNC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001649031041 1122132775 /nfs/dbraw/zinc/13/27/75/1122132775.db2.gz LQYGLSZOLGPVJJ-GFCCVEGCSA-N -1 1 348.830 3.529 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H](c2ccccc2)C1 ZINC000125937241 1122362081 /nfs/dbraw/zinc/36/20/81/1122362081.db2.gz JNTRHPJRIPLHSL-CQSZACIVSA-N -1 1 346.224 3.784 20 0 EHADMM Cc1sc(NC(=O)C(=O)c2ccc([O-])cc2)nc1-c1ccccc1 ZINC000672712613 1129054484 /nfs/dbraw/zinc/05/44/84/1129054484.db2.gz UEXFYIIOZGAWCO-UHFFFAOYSA-N -1 1 338.388 3.646 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cc2ccccc2o1 ZINC000126816839 1122441230 /nfs/dbraw/zinc/44/12/30/1122441230.db2.gz IZZJLQKXWJJSLJ-UHFFFAOYSA-N -1 1 331.397 3.614 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(F)(F)c1ccccc1 ZINC000917113556 1122508014 /nfs/dbraw/zinc/50/80/14/1122508014.db2.gz CNFZLBUSVKWVRR-UHFFFAOYSA-N -1 1 329.306 3.513 20 0 EHADMM CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000497733378 1122653447 /nfs/dbraw/zinc/65/34/47/1122653447.db2.gz DBSUHTJPTLWGEU-HNNXBMFYSA-N -1 1 343.370 3.924 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC2(CCCCO2)CC1 ZINC000922067877 1129072977 /nfs/dbraw/zinc/07/29/77/1129072977.db2.gz DJTUGTQOBUUJBI-UHFFFAOYSA-N -1 1 343.345 3.586 20 0 EHADMM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000131315909 1123079708 /nfs/dbraw/zinc/07/97/08/1123079708.db2.gz AYCJXWKLPWWMDU-RHSMWYFYSA-N -1 1 331.799 3.696 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3c([O-])cccc3F)n[nH]2)cc1C ZINC000672910921 1129109215 /nfs/dbraw/zinc/10/92/15/1129109215.db2.gz ZUILLNFAXWBAPO-UHFFFAOYSA-N -1 1 325.343 3.791 20 0 EHADMM O=C(OC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000920126349 1123298470 /nfs/dbraw/zinc/29/84/70/1123298470.db2.gz NXTFRQLLVDPDLQ-UHFFFAOYSA-N -1 1 345.420 3.587 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)nc(C1CC1)n2C ZINC000074985881 1123353544 /nfs/dbraw/zinc/35/35/44/1123353544.db2.gz SAAOGRVFSBTGDM-UHFFFAOYSA-N -1 1 341.436 3.560 20 0 EHADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1c([O-])cccc1Cl ZINC000920428268 1123372714 /nfs/dbraw/zinc/37/27/14/1123372714.db2.gz IYGDGUHJUDTHPZ-UHFFFAOYSA-N -1 1 340.206 3.850 20 0 EHADMM CCCCOc1ncccc1CNC(=O)c1c([O-])cccc1Cl ZINC000920471289 1123377082 /nfs/dbraw/zinc/37/70/82/1123377082.db2.gz CPPWYFVVCLJBKQ-UHFFFAOYSA-N -1 1 334.803 3.550 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1Cl ZINC000135715810 1123641031 /nfs/dbraw/zinc/64/10/31/1123641031.db2.gz DEPNLTZJKMDFNO-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC[C@]1(C)CC1(F)F ZINC000657159501 1129172799 /nfs/dbraw/zinc/17/27/99/1129172799.db2.gz ITOVEAPVRXFDAK-CQSZACIVSA-N -1 1 347.358 3.594 20 0 EHADMM Cc1ccc(Cl)c(OCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000617363962 1124498459 /nfs/dbraw/zinc/49/84/59/1124498459.db2.gz BXDAWANFKQSHBZ-UHFFFAOYSA-N -1 1 347.827 3.539 20 0 EHADMM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)o1 ZINC000617365413 1124499615 /nfs/dbraw/zinc/49/96/15/1124499615.db2.gz NPDDZSNZGJUEPR-AAEUAGOBSA-N -1 1 341.436 3.848 20 0 EHADMM C[C@H]1C[C@H]1c1ccc(CCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)o1 ZINC000617365415 1124499912 /nfs/dbraw/zinc/49/99/12/1124499912.db2.gz NPDDZSNZGJUEPR-WCQYABFASA-N -1 1 341.436 3.848 20 0 EHADMM COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc(OC)c1[O-] ZINC000181303907 1124748296 /nfs/dbraw/zinc/74/82/96/1124748296.db2.gz YBIXKBFGNJPIOX-BJMVGYQFSA-N -1 1 349.795 3.914 20 0 EHADMM O=C(NCCc1c[nH]c2ccc(F)cc12)c1c([O-])cccc1Cl ZINC000735118116 1131308629 /nfs/dbraw/zinc/30/86/29/1131308629.db2.gz JMIWSILESHAGLL-UHFFFAOYSA-N -1 1 332.762 3.639 20 0 EHADMM COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1F ZINC000618393243 1125066931 /nfs/dbraw/zinc/06/69/31/1125066931.db2.gz SIXCJXSUPGWLCY-HNNXBMFYSA-N -1 1 333.334 3.656 20 0 EHADMM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1cc(F)ccc1[O-] ZINC000618981969 1125256683 /nfs/dbraw/zinc/25/66/83/1125256683.db2.gz PGRUNXRXUPMKQN-DIFFPNOSSA-N -1 1 349.789 3.787 20 0 EHADMM Cc1cc([C@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)c(O)cc1Cl ZINC000619369336 1125337308 /nfs/dbraw/zinc/33/73/08/1125337308.db2.gz AFTNNLXIESPKCM-NSHDSACASA-N -1 1 349.789 3.828 20 0 EHADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1F ZINC000543164864 1129304265 /nfs/dbraw/zinc/30/42/65/1129304265.db2.gz ZVOYOWMLZXXUTD-UHFFFAOYSA-N -1 1 347.383 3.935 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000132501090 1129359180 /nfs/dbraw/zinc/35/91/80/1129359180.db2.gz ATEJNLFIPQCOMN-HNNXBMFYSA-N -1 1 344.484 3.565 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000069118067 1129424245 /nfs/dbraw/zinc/42/42/45/1129424245.db2.gz DTGXMVZWBDCKFZ-UHFFFAOYSA-N -1 1 330.453 3.786 20 0 EHADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000735704397 1131373555 /nfs/dbraw/zinc/37/35/55/1131373555.db2.gz ZVZUXSRSVCWTTP-ABAIWWIYSA-N -1 1 325.836 3.617 20 0 EHADMM CCC1=NO[C@H](c2nc(=O)c3c4c(sc3[n-]2)C[C@H](CC)CC4)C1 ZINC000172996018 1129532601 /nfs/dbraw/zinc/53/26/01/1129532601.db2.gz GMGZNZSEWRDMJB-SKDRFNHKSA-N -1 1 331.441 3.727 20 0 EHADMM COc1cccc2c1OCC[C@H]2NC(=O)c1ccc2ccccc2c1[O-] ZINC000625032306 1129711690 /nfs/dbraw/zinc/71/16/90/1129711690.db2.gz FQCSRSKTAQJNRZ-QGZVFWFLSA-N -1 1 349.386 3.808 20 0 EHADMM C[C@H]1C[C@H](c2ccccc2)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000285501591 1130624862 /nfs/dbraw/zinc/62/48/62/1130624862.db2.gz CWDHDHHIIABOGF-SWLSCSKDSA-N -1 1 325.437 3.980 20 0 EHADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc2c1O[C@@H](C)C2 ZINC000732306557 1130909007 /nfs/dbraw/zinc/90/90/07/1130909007.db2.gz DGYZHMURUXPOCW-VIFPVBQESA-N -1 1 333.771 3.630 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001212721274 1132056364 /nfs/dbraw/zinc/05/63/64/1132056364.db2.gz HLMUFPXLCAGESH-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)c2ccccc2)c1 ZINC000744555671 1132122094 /nfs/dbraw/zinc/12/20/94/1132122094.db2.gz GRFHIVIOBQRIDU-UHFFFAOYSA-N -1 1 326.392 3.658 20 0 EHADMM CS[C@H](C(=O)OCCc1cc(C(C)=O)ccc1[O-])c1ccccc1 ZINC000745071379 1132188219 /nfs/dbraw/zinc/18/82/19/1132188219.db2.gz KQUCEBKNCHXGRO-SFHVURJKSA-N -1 1 344.432 3.785 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CSc3ccccc32)c1 ZINC000745058428 1132189014 /nfs/dbraw/zinc/18/90/14/1132189014.db2.gz YAJHVFQFETVFME-INIZCTEOSA-N -1 1 342.416 3.570 20 0 EHADMM COc1ncccc1Nc1c(Cl)ccc(Br)c1[O-] ZINC001174042966 1132224280 /nfs/dbraw/zinc/22/42/80/1132224280.db2.gz DQFPRWCMDHFEIT-UHFFFAOYSA-N -1 1 329.581 3.955 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)CCCc2ccccn2)c1 ZINC000182903878 1132305413 /nfs/dbraw/zinc/30/54/13/1132305413.db2.gz PLTXNSRZAJXNGG-UHFFFAOYSA-N -1 1 349.228 3.820 20 0 EHADMM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C)c2Cl)c(F)c1 ZINC000745979037 1132343184 /nfs/dbraw/zinc/34/31/84/1132343184.db2.gz YDFDIXQPWNBMLO-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM O=c1ccn(-c2ccc(Nc3ccc(N4CCCCC4)nc3)cc2)[n-]1 ZINC001174524758 1132401847 /nfs/dbraw/zinc/40/18/47/1132401847.db2.gz PHCCAHNRHHNFJV-UHFFFAOYSA-N -1 1 335.411 3.707 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(F)(F)F)cc2)c1 ZINC001174774709 1132461204 /nfs/dbraw/zinc/46/12/04/1132461204.db2.gz JMBXMLZEEMXZKX-UHFFFAOYSA-N -1 1 331.315 3.558 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(F)(F)F)c2)cc1N ZINC001175061625 1132538871 /nfs/dbraw/zinc/53/88/71/1132538871.db2.gz PYFWSTNZYXLIOJ-UHFFFAOYSA-N -1 1 348.321 3.536 20 0 EHADMM CC(C)Oc1cc(F)cc(Nc2nc[n-]c(=O)c2Br)c1 ZINC001175141015 1132579329 /nfs/dbraw/zinc/57/93/29/1132579329.db2.gz WFJBAIOJUWKCRI-UHFFFAOYSA-N -1 1 342.168 3.615 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1CCCC[C@@H]1C1CC1 ZINC001168921578 1132606551 /nfs/dbraw/zinc/60/65/51/1132606551.db2.gz DKELUNHNVKFFAX-SJORKVTESA-N -1 1 325.412 3.733 20 0 EHADMM C[S@](=O)c1ccccc1Nc1ccc(F)c(Br)c1[O-] ZINC001175319647 1132637348 /nfs/dbraw/zinc/63/73/48/1132637348.db2.gz YVNTUGYERCAXTQ-IBGZPJMESA-N -1 1 344.205 3.775 20 0 EHADMM CC(=O)Oc1ccc(NC(=O)c2cc(F)ccc2[O-])c2ccccc12 ZINC001169448304 1132758541 /nfs/dbraw/zinc/75/85/41/1132758541.db2.gz JSUXTHJJRYDNKD-UHFFFAOYSA-N -1 1 339.322 3.862 20 0 EHADMM O=C(CCCc1ccc(Cl)c(Cl)c1)[N-]OCC(F)(F)F ZINC000766766326 1132798695 /nfs/dbraw/zinc/79/86/95/1132798695.db2.gz FCOBPOUJLQCWQW-UHFFFAOYSA-N -1 1 330.133 3.926 20 0 EHADMM CCOC(=O)c1cc2ccc(N)cc2n1-c1ccc(Cl)c([O-])c1 ZINC001212593225 1132808764 /nfs/dbraw/zinc/80/87/64/1132808764.db2.gz GNPUXBHBFKSMNB-UHFFFAOYSA-N -1 1 330.771 3.748 20 0 EHADMM O=c1ccn(-c2ccc(Nc3cnn(Cc4cccs4)c3)cc2)[n-]1 ZINC001176163967 1132870228 /nfs/dbraw/zinc/87/02/28/1132870228.db2.gz QPDNSUKALZWPPS-UHFFFAOYSA-N -1 1 337.408 3.628 20 0 EHADMM O=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc([O-])cc1F ZINC000773578355 1132933935 /nfs/dbraw/zinc/93/39/35/1132933935.db2.gz GJNFWSYCXDUNJB-UHFFFAOYSA-N -1 1 331.274 3.682 20 0 EHADMM CCc1ccc(C(=O)Nc2cc(-c3ccccc3OC)[nH]n2)c([O-])c1 ZINC001176507044 1132952737 /nfs/dbraw/zinc/95/27/37/1132952737.db2.gz WMYIVJCSKSVJRW-UHFFFAOYSA-N -1 1 337.379 3.606 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccc3nnc(C4CCC4)n3c2)c1F ZINC001176663742 1132978615 /nfs/dbraw/zinc/97/86/15/1132978615.db2.gz LWJCYMMKDXGYIW-UHFFFAOYSA-N -1 1 334.301 3.863 20 0 EHADMM COc1cnc(Br)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176664128 1132978633 /nfs/dbraw/zinc/97/86/33/1132978633.db2.gz LKDFJADCJKYCJL-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM COc1cc(OC)c(OC)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671052 1132978766 /nfs/dbraw/zinc/97/87/66/1132978766.db2.gz RSWHJHZHMICJRY-UHFFFAOYSA-N -1 1 329.274 3.579 20 0 EHADMM COC(=O)c1cc(C)c(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176674124 1132980557 /nfs/dbraw/zinc/98/05/57/1132980557.db2.gz QSIOHPZASLPUSL-UHFFFAOYSA-N -1 1 329.249 3.787 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000767965684 1133078686 /nfs/dbraw/zinc/07/86/86/1133078686.db2.gz JHRJUTTYKFFRGV-MRXNPFEDSA-N -1 1 331.362 3.908 20 0 EHADMM CC[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(Cl)cc1 ZINC000773736799 1133155591 /nfs/dbraw/zinc/15/55/91/1133155591.db2.gz NDTBSKAHLOASOE-CYBMUJFWSA-N -1 1 346.843 3.553 20 0 EHADMM CCC1(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CCC1 ZINC000769944649 1133364085 /nfs/dbraw/zinc/36/40/85/1133364085.db2.gz CQDKTOCZOVAVDN-UHFFFAOYSA-N -1 1 334.416 3.802 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N(Cc1cccc(O)c1)CC1CC1 ZINC000769992177 1133374480 /nfs/dbraw/zinc/37/44/80/1133374480.db2.gz AVTUNZVZIBRVHV-UHFFFAOYSA-N -1 1 331.799 3.804 20 0 EHADMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc2c1O[C@@H](C)C2 ZINC000771213832 1133528844 /nfs/dbraw/zinc/52/88/44/1133528844.db2.gz WLVGOZVDRVNHSB-VIFPVBQESA-N -1 1 342.326 3.580 20 0 EHADMM CCC1(CC)C[C@H]1C(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001181881539 1133546343 /nfs/dbraw/zinc/54/63/43/1133546343.db2.gz DDVWBUYXCZMPAS-JTQLQIEISA-N -1 1 342.233 3.928 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000771760474 1133596610 /nfs/dbraw/zinc/59/66/10/1133596610.db2.gz PUNMMDGIVROSAZ-OAHLLOKOSA-N -1 1 339.439 3.766 20 0 EHADMM C[C@@H]1CCCN(Cc2cccc([O-])c2Cl)[C@H]1C(=O)OC(C)(C)C ZINC001182491073 1133694538 /nfs/dbraw/zinc/69/45/38/1133694538.db2.gz UROHENDFPAXOGC-MLGOLLRUSA-N -1 1 339.863 3.988 20 0 EHADMM O=C(Cc1ccc2c(c1)OCC2)Nc1cccc(C(F)(F)F)c1[O-] ZINC001182651458 1133716276 /nfs/dbraw/zinc/71/62/76/1133716276.db2.gz VUAXKTRGRHIYRH-UHFFFAOYSA-N -1 1 337.297 3.527 20 0 EHADMM COc1cc(C(=O)NCCCCCCSC)cc(Cl)c1[O-] ZINC000785632781 1133734988 /nfs/dbraw/zinc/73/49/88/1133734988.db2.gz NZFFFDWXXCIOAD-UHFFFAOYSA-N -1 1 331.865 3.707 20 0 EHADMM O=C(Cc1cccc(-c2ccccc2)c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC001184519704 1133948133 /nfs/dbraw/zinc/94/81/33/1133948133.db2.gz VCIOBSXSBVDCQS-UHFFFAOYSA-N -1 1 346.312 3.672 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccnc2Cl)c(Cl)cc1C ZINC001184879822 1134001853 /nfs/dbraw/zinc/00/18/53/1134001853.db2.gz DNIJYQCPKNZAAT-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc(C)c1F ZINC001185221719 1134052360 /nfs/dbraw/zinc/05/23/60/1134052360.db2.gz OBOJUOPDSSMTCY-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1ccc(F)c(F)c1F ZINC001185293830 1134065336 /nfs/dbraw/zinc/06/53/36/1134065336.db2.gz CPIJYOYWXGXHLQ-UHFFFAOYSA-N -1 1 348.284 3.639 20 0 EHADMM CCc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)s1 ZINC000788147655 1134084837 /nfs/dbraw/zinc/08/48/37/1134084837.db2.gz HEPZKEQFSDXTLJ-UHFFFAOYSA-N -1 1 348.815 3.707 20 0 EHADMM CCc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)s1 ZINC000788147655 1134084843 /nfs/dbraw/zinc/08/48/43/1134084843.db2.gz HEPZKEQFSDXTLJ-UHFFFAOYSA-N -1 1 348.815 3.707 20 0 EHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(Cl)nc1Cl ZINC000788113581 1134085695 /nfs/dbraw/zinc/08/56/95/1134085695.db2.gz YPGTVVTVHKWANV-UHFFFAOYSA-N -1 1 338.097 3.539 20 0 EHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000788210631 1134095373 /nfs/dbraw/zinc/09/53/73/1134095373.db2.gz AMINIWFISXUMRA-UHFFFAOYSA-N -1 1 347.362 3.527 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2CO)ccc1Cl ZINC001185530135 1134104538 /nfs/dbraw/zinc/10/45/38/1134104538.db2.gz UUQUOCOAXOHSPX-UHFFFAOYSA-N -1 1 346.235 3.595 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2ccc(O)cc2c1 ZINC001185824739 1134142211 /nfs/dbraw/zinc/14/22/11/1134142211.db2.gz KPTYOQHVARWYQN-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1 ZINC001185944367 1134149963 /nfs/dbraw/zinc/14/99/63/1134149963.db2.gz WFVGBDHJVMQIOQ-LBPRGKRZSA-N -1 1 329.425 3.877 20 0 EHADMM CSc1nnc(Nc2c(F)ccc([O-])c2Cl)c(SC)n1 ZINC001250228190 1134166591 /nfs/dbraw/zinc/16/65/91/1134166591.db2.gz PLZDHFOMLYMKDD-UHFFFAOYSA-N -1 1 332.813 3.557 20 0 EHADMM O=C(Nc1ncccc1OCc1ccccc1)c1ccc([O-])c(F)c1 ZINC001186202912 1134181217 /nfs/dbraw/zinc/18/12/17/1134181217.db2.gz ZSZDRQMHBWKSAV-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM O=C(NCc1ccccc1N1CCCCCC1)c1ccc([O-])c(F)c1 ZINC001186237762 1134185413 /nfs/dbraw/zinc/18/54/13/1134185413.db2.gz ZHRMUULMGLCVBN-UHFFFAOYSA-N -1 1 342.414 3.842 20 0 EHADMM Cc1ccc(O)c([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC001187065375 1134291731 /nfs/dbraw/zinc/29/17/31/1134291731.db2.gz NHFOADMAGKKPCG-UHFFFAOYSA-N -1 1 346.235 3.949 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)CCc2cccc3ccccc32)n1 ZINC001187616479 1134356562 /nfs/dbraw/zinc/35/65/62/1134356562.db2.gz BSPONUHEGHCAEU-UHFFFAOYSA-N -1 1 340.448 3.782 20 0 EHADMM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001187874567 1134397030 /nfs/dbraw/zinc/39/70/30/1134397030.db2.gz FSCFTKWQCRXBNU-JSGCOSHPSA-N -1 1 343.445 3.524 20 0 EHADMM CC[C@H](C)[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188193679 1134439126 /nfs/dbraw/zinc/43/91/26/1134439126.db2.gz HYRXYUJVOFSAIU-VIFPVBQESA-N -1 1 344.864 3.856 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189384785 1134577901 /nfs/dbraw/zinc/57/79/01/1134577901.db2.gz BXCCRXWCMRQTJT-UHFFFAOYSA-N -1 1 345.395 3.926 20 0 EHADMM Cc1cc(CO)cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189389815 1134579360 /nfs/dbraw/zinc/57/93/60/1134579360.db2.gz WEWSIJJEVXSLRQ-UHFFFAOYSA-N -1 1 345.395 3.580 20 0 EHADMM CC(=O)c1ccsc1NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189748408 1134620831 /nfs/dbraw/zinc/62/08/31/1134620831.db2.gz JJQBYEGFRQOOAQ-UHFFFAOYSA-N -1 1 345.298 3.807 20 0 EHADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(F)cc(Cl)c1 ZINC001189814415 1134629831 /nfs/dbraw/zinc/62/98/31/1134629831.db2.gz NVPZIINNSIYYPT-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCc2cccc(C(F)(F)F)c2C1 ZINC001170311817 1134744867 /nfs/dbraw/zinc/74/48/67/1134744867.db2.gz WAAJXTKEIDYOOB-UHFFFAOYSA-N -1 1 339.288 3.749 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccncc2)cc1-c1ccccc1 ZINC001190888235 1134763510 /nfs/dbraw/zinc/76/35/10/1134763510.db2.gz URHRWVCVUGQLJX-UHFFFAOYSA-N -1 1 340.404 3.558 20 0 EHADMM O=S(=O)([N-]c1cccc(Oc2ccccc2)c1)c1ccncc1 ZINC001190896752 1134764386 /nfs/dbraw/zinc/76/43/86/1134764386.db2.gz QIDKFZHGVWONGP-UHFFFAOYSA-N -1 1 326.377 3.675 20 0 EHADMM COc1cc(C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc(Cl)c1[O-] ZINC001191155252 1134803560 /nfs/dbraw/zinc/80/35/60/1134803560.db2.gz DJILLOWPVFYPIM-ZYHUDNBSSA-N -1 1 325.836 3.999 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cc(OC)ncc2C)cc1 ZINC001191232932 1134832158 /nfs/dbraw/zinc/83/21/58/1134832158.db2.gz MGXXHXPUMNAORK-UHFFFAOYSA-N -1 1 334.441 3.542 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3ncn(C)c3c2)cc1 ZINC001191248828 1134836634 /nfs/dbraw/zinc/83/66/34/1134836634.db2.gz KODLBFDXOKBBIX-UHFFFAOYSA-N -1 1 343.452 3.717 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(C)(C)C)c1O ZINC000775449188 1134843785 /nfs/dbraw/zinc/84/37/85/1134843785.db2.gz XIQWPSPUFABTSI-UHFFFAOYSA-N -1 1 343.427 3.869 20 0 EHADMM O=S(=O)(CC1CCCC1)[N-]c1cccc2c(Cl)ncc(F)c12 ZINC001191536128 1134881876 /nfs/dbraw/zinc/88/18/76/1134881876.db2.gz YHGMXGDMEXPDKW-UHFFFAOYSA-N -1 1 342.823 3.959 20 0 EHADMM COc1ccc2cc(S(=O)(=O)[N-]c3ncccc3Cl)ccc2c1 ZINC001191940844 1134944461 /nfs/dbraw/zinc/94/44/61/1134944461.db2.gz UEEJEJQLLAISCZ-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM O=C(CCCc1cc(F)ccc1F)Nc1ccc([O-])c(F)c1F ZINC001157811836 1134988657 /nfs/dbraw/zinc/98/86/57/1134988657.db2.gz UWZIFDKVYLRJIL-UHFFFAOYSA-N -1 1 327.277 3.910 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cc3n(n2)CC(C)(C)CO3)c([O-])c1 ZINC001192313320 1134997215 /nfs/dbraw/zinc/99/72/15/1134997215.db2.gz AHYPFUBKZHZPTK-UHFFFAOYSA-N -1 1 343.427 3.557 20 0 EHADMM O=C(NCC(=O)c1ccc([O-])cc1)Nc1ccc2sccc2c1 ZINC001192479693 1135020843 /nfs/dbraw/zinc/02/08/43/1135020843.db2.gz LACJFWKPUKHJCN-UHFFFAOYSA-N -1 1 326.377 3.611 20 0 EHADMM Cc1ccc(NC(=O)c2cc([O-])cc(F)c2F)cc1OC(F)F ZINC001192670918 1135043240 /nfs/dbraw/zinc/04/32/40/1135043240.db2.gz PZKAXYWWAFGAQK-UHFFFAOYSA-N -1 1 329.249 3.833 20 0 EHADMM O=C(NCCc1ccc2ccccc2c1)c1cc([O-])cc(F)c1F ZINC001192678508 1135044747 /nfs/dbraw/zinc/04/47/47/1135044747.db2.gz FHQXMLFKVIVQQI-UHFFFAOYSA-N -1 1 327.330 3.796 20 0 EHADMM O=C(Nc1c(Cl)ccc(O)c1Cl)c1ccc(F)c(F)c1[O-] ZINC001192811634 1135057660 /nfs/dbraw/zinc/05/76/60/1135057660.db2.gz USZUYTHNOSUOFX-UHFFFAOYSA-N -1 1 334.105 3.935 20 0 EHADMM CC(C)(C)c1cnc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cn1 ZINC001192792522 1135061345 /nfs/dbraw/zinc/06/13/45/1135061345.db2.gz VOMDFEDCBCZFLZ-UHFFFAOYSA-N -1 1 339.317 3.751 20 0 EHADMM O=S(=O)(CC1CCC1)[N-]c1cc2ccccc2nc1C(F)(F)F ZINC001193478844 1135141779 /nfs/dbraw/zinc/14/17/79/1135141779.db2.gz JITBKPPJJZKSKO-UHFFFAOYSA-N -1 1 344.358 3.795 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccnc(C(F)F)c1 ZINC001193654018 1135167677 /nfs/dbraw/zinc/16/76/77/1135167677.db2.gz MLYSGBSNUINYKD-UHFFFAOYSA-N -1 1 332.228 3.996 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)cc1 ZINC001194333813 1135260901 /nfs/dbraw/zinc/26/09/01/1135260901.db2.gz GKQQSLMWRBZASR-UHFFFAOYSA-N -1 1 348.811 3.703 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc2cc(F)ccc2c1 ZINC001194610057 1135286077 /nfs/dbraw/zinc/28/60/77/1135286077.db2.gz XPFAFYTWQFBBBS-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194587263 1135289107 /nfs/dbraw/zinc/28/91/07/1135289107.db2.gz ZDPNKDPDICJKNI-LLVKDONJSA-N -1 1 338.395 3.595 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2ncc(F)cc12 ZINC001194642193 1135295543 /nfs/dbraw/zinc/29/55/43/1135295543.db2.gz BDIAUPCGVIZIQO-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM COc1ncccc1S(=O)(=O)[N-]c1c(C)cc(Cl)cc1Cl ZINC001194718025 1135311523 /nfs/dbraw/zinc/31/15/23/1135311523.db2.gz AWKHGUQSVKPGGO-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1cccc(F)c1C(F)(F)F ZINC001195073581 1135363465 /nfs/dbraw/zinc/36/34/65/1135363465.db2.gz GOKGZJILGSEFEQ-UHFFFAOYSA-N -1 1 343.418 3.924 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ncc(F)cc2Cl)c1 ZINC001195120798 1135373497 /nfs/dbraw/zinc/37/34/97/1135373497.db2.gz VXEHSISRIIIQKJ-UHFFFAOYSA-N -1 1 328.796 3.798 20 0 EHADMM COc1ccccc1OC(=O)Nc1cccc([O-])c1Br ZINC001195273232 1135403630 /nfs/dbraw/zinc/40/36/30/1135403630.db2.gz RGIYCQATSGCFJV-UHFFFAOYSA-N -1 1 338.157 3.774 20 0 EHADMM Cc1ccc2[nH]cc(CN(C)C(=O)c3cc([O-])cnc3Cl)c2c1 ZINC001195305019 1135409730 /nfs/dbraw/zinc/40/97/30/1135409730.db2.gz DSNNRWMKFNCREF-UHFFFAOYSA-N -1 1 329.787 3.503 20 0 EHADMM CSc1nc(NC(=O)c2sccc2-c2ccccc2)cc(=O)[n-]1 ZINC001195709687 1135458487 /nfs/dbraw/zinc/45/84/87/1135458487.db2.gz QHAQODNBJJIXNL-UHFFFAOYSA-N -1 1 343.433 3.885 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000747388885 1135534552 /nfs/dbraw/zinc/53/45/52/1135534552.db2.gz GGOMXMSUVPFFJG-UHFFFAOYSA-N -1 1 348.406 3.928 20 0 EHADMM COc1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)c(C)c1OC ZINC000807857799 1135577754 /nfs/dbraw/zinc/57/77/54/1135577754.db2.gz ILBPHFAUZBQVFB-NSHDSACASA-N -1 1 349.814 3.862 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=S)Nc2ccc(Cl)cc2)c1 ZINC001197330803 1135680269 /nfs/dbraw/zinc/68/02/69/1135680269.db2.gz HSOYPTLYRYFIDU-UHFFFAOYSA-N -1 1 336.800 3.641 20 0 EHADMM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198104966 1135776709 /nfs/dbraw/zinc/77/67/09/1135776709.db2.gz CLLUIUBRAOGAJG-CYBMUJFWSA-N -1 1 341.436 3.944 20 0 EHADMM O=C([N-]Cc1cccnc1Oc1cccc(C(F)(F)F)c1)C(F)F ZINC001131679725 1135829082 /nfs/dbraw/zinc/82/90/82/1135829082.db2.gz PFTXHWUJNWIQIB-UHFFFAOYSA-N -1 1 346.255 3.774 20 0 EHADMM Cc1cc2cccc(C(=O)Nc3ccc(-n4ccc(=O)[n-]4)cc3)c2[nH]1 ZINC001198572689 1135831991 /nfs/dbraw/zinc/83/19/91/1135831991.db2.gz ARFCULVYQDOSFC-UHFFFAOYSA-N -1 1 332.363 3.620 20 0 EHADMM CCOc1cc(-c2noc(-c3cccnc3F)n2)cc(Cl)c1[O-] ZINC000809466482 1135838612 /nfs/dbraw/zinc/83/86/12/1135838612.db2.gz RWIHHKJROPYNSW-UHFFFAOYSA-N -1 1 335.722 3.695 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1SC ZINC001198856006 1135861349 /nfs/dbraw/zinc/86/13/49/1135861349.db2.gz LSYRDSDMAJUBHF-UHFFFAOYSA-N -1 1 349.433 3.964 20 0 EHADMM O=C(NC[C@@H]1COc2ccccc2C1)c1ccc2ccccc2c1[O-] ZINC000747579934 1135900650 /nfs/dbraw/zinc/90/06/50/1135900650.db2.gz DIPGQVGAZVMQSS-CQSZACIVSA-N -1 1 333.387 3.527 20 0 EHADMM Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000810069978 1135920212 /nfs/dbraw/zinc/92/02/12/1135920212.db2.gz NJDBXBOUNANDEW-GFCCVEGCSA-N -1 1 348.796 3.539 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cccc1N(C)C ZINC000776090838 1135952873 /nfs/dbraw/zinc/95/28/73/1135952873.db2.gz FAMFMFMLTSBKHJ-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM CCc1ccccc1NC(=S)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001201150531 1135989175 /nfs/dbraw/zinc/98/91/75/1135989175.db2.gz CHHOBIGFQFVXDW-UHFFFAOYSA-N -1 1 338.436 3.949 20 0 EHADMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201277086 1136002935 /nfs/dbraw/zinc/00/29/35/1136002935.db2.gz CIJJYVFGNDZRRC-WRWORJQWSA-N -1 1 326.220 3.599 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1Cl ZINC000005692242 1136061218 /nfs/dbraw/zinc/06/12/18/1136061218.db2.gz QPMQRZIPBJXMHO-UHFFFAOYSA-N -1 1 330.723 3.509 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001170634330 1136079787 /nfs/dbraw/zinc/07/97/87/1136079787.db2.gz CIPWCGBYDAAJFZ-TZIWHRDSSA-N -1 1 347.414 3.884 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)C1CCC2(CC2)CC1 ZINC000850265674 1136228389 /nfs/dbraw/zinc/22/83/89/1136228389.db2.gz IBTJXYSRDPKVKN-UHFFFAOYSA-N -1 1 328.364 3.512 20 0 EHADMM CN(CCc1ccccc1F)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776476045 1136282672 /nfs/dbraw/zinc/28/26/72/1136282672.db2.gz JBCBORFHTOURAC-UHFFFAOYSA-N -1 1 341.304 3.865 20 0 EHADMM Cc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(C)s1 ZINC000007763046 1136348755 /nfs/dbraw/zinc/34/87/55/1136348755.db2.gz BAPLXTGTVBGEER-UHFFFAOYSA-N -1 1 330.361 3.534 20 0 EHADMM CCOC(=O)c1nc(NC(=O)CC=Cc2ccc(C)cc2)[n-]c1Cl ZINC001133885443 1136354840 /nfs/dbraw/zinc/35/48/40/1136354840.db2.gz LQJIABNRMCZNET-PLNGDYQASA-N -1 1 347.802 3.590 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCC(F)CC1 ZINC000851824963 1136411342 /nfs/dbraw/zinc/41/13/42/1136411342.db2.gz AVFIXFLLWIIWBY-DCBWTQNWSA-N -1 1 325.405 3.628 20 0 EHADMM Cc1ccc(/C=C\S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1 ZINC000814285875 1136434004 /nfs/dbraw/zinc/43/40/04/1136434004.db2.gz QXUZLARHLRYMKJ-JNSOCZORSA-N -1 1 337.391 3.892 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCN1Cc1ccccc1 ZINC000885674201 1136599242 /nfs/dbraw/zinc/59/92/42/1136599242.db2.gz KFAAXJSNHZHBOV-MRXNPFEDSA-N -1 1 348.805 3.788 20 0 EHADMM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675845 1136604395 /nfs/dbraw/zinc/60/43/95/1136604395.db2.gz CIUDHUYFHGPLKS-UHFFFAOYSA-N -1 1 346.189 3.947 20 0 EHADMM Cc1cc(C=CC(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1C1CCCCC1 ZINC000854635742 1136633101 /nfs/dbraw/zinc/63/31/01/1136633101.db2.gz WSNIKVLTHBGZBS-MDZDMXLPSA-N -1 1 342.443 3.999 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@@H]1OCCc2sccc21 ZINC000817051819 1136772432 /nfs/dbraw/zinc/77/24/32/1136772432.db2.gz QOMTVFBWTGXLTI-PSLIRLAXSA-N -1 1 337.828 3.539 20 0 EHADMM O=C(NCCOc1cccc(Cl)c1)c1cc(Cl)ccc1[O-] ZINC001136251848 1136955729 /nfs/dbraw/zinc/95/57/29/1136955729.db2.gz RFJUQOMNNNVPMP-UHFFFAOYSA-N -1 1 326.179 3.508 20 0 EHADMM CC1(C)[C@H](Nc2cc(Cl)[n-]c(=O)n2)C[C@H]1OCc1ccccc1 ZINC000858485239 1136972147 /nfs/dbraw/zinc/97/21/47/1136972147.db2.gz AANYCSDWVAHKRQ-CHWSQXEVSA-N -1 1 333.819 3.631 20 0 EHADMM C[C@@H](c1ccccc1Cl)N(C(=O)C(=O)c1ccc([O-])cc1)C1CC1 ZINC001136369997 1137003091 /nfs/dbraw/zinc/00/30/91/1137003091.db2.gz IUHIVNVGJBMAQT-LBPRGKRZSA-N -1 1 343.810 3.981 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC001136374563 1137003798 /nfs/dbraw/zinc/00/37/98/1137003798.db2.gz GUGOFOBZSJSJAK-UHFFFAOYSA-N -1 1 327.771 3.617 20 0 EHADMM CO[C@@H]1CCC[C@H](Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)C1 ZINC000825011426 1137160208 /nfs/dbraw/zinc/16/02/08/1137160208.db2.gz JVQBPTZYNAKEPE-DZGCQCFKSA-N -1 1 344.377 3.543 20 0 EHADMM O=c1cc(CNC2(c3ccccc3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000794562392 1137203786 /nfs/dbraw/zinc/20/37/86/1137203786.db2.gz OKGKIKBIVILNKW-UHFFFAOYSA-N -1 1 341.794 3.931 20 0 EHADMM O=C([O-])CCc1cccc(CNCc2cnc(C3CCC3)s2)c1 ZINC000864518430 1137231626 /nfs/dbraw/zinc/23/16/26/1137231626.db2.gz JKWIJMUIKDWRHS-UHFFFAOYSA-N -1 1 330.453 3.718 20 0 EHADMM O=C([O-])CCc1cccc(CNCc2ccccc2OCC2CC2)c1 ZINC000864517241 1137231677 /nfs/dbraw/zinc/23/16/77/1137231677.db2.gz ATKFZDAQZULIED-UHFFFAOYSA-N -1 1 339.435 3.782 20 0 EHADMM COC(=O)c1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1F ZINC000844734196 1137251026 /nfs/dbraw/zinc/25/10/26/1137251026.db2.gz VIFKFADXKRFTEF-UHFFFAOYSA-N -1 1 339.322 3.723 20 0 EHADMM CN(Cc1cc(F)c([O-])cc1F)Cc1ncccc1C(F)(F)F ZINC001144647467 1137322389 /nfs/dbraw/zinc/32/23/89/1137322389.db2.gz GLCWQWMEVOWLTB-UHFFFAOYSA-N -1 1 332.272 3.716 20 0 EHADMM [O-]c1cc(F)c(CN(Cc2ccccn2)Cc2ccccn2)cc1F ZINC001144646941 1137322429 /nfs/dbraw/zinc/32/24/29/1137322429.db2.gz RCULOLDNNDSIOD-UHFFFAOYSA-N -1 1 341.361 3.663 20 0 EHADMM O=S(=O)([N-]CCC[C@H]1CC1(Cl)Cl)c1cc2ccccc2o1 ZINC000846022190 1137326557 /nfs/dbraw/zinc/32/65/57/1137326557.db2.gz MYYGRHFXBCYLBG-NSHDSACASA-N -1 1 348.251 3.685 20 0 EHADMM O=C(Cc1ccc(C2CC2)cc1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001144715709 1137334558 /nfs/dbraw/zinc/33/45/58/1137334558.db2.gz RQQNVUNEFSVROA-UHFFFAOYSA-N -1 1 333.391 3.637 20 0 EHADMM COc1c(C)cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)cc1C ZINC000846778688 1137365000 /nfs/dbraw/zinc/36/50/00/1137365000.db2.gz JERXKBQQLMUZHT-INIZCTEOSA-N -1 1 335.350 3.506 20 0 EHADMM Cc1sc(CC(=O)Nc2c([O-])cccc2F)nc1-c1ccco1 ZINC001146492667 1137390824 /nfs/dbraw/zinc/39/08/24/1137390824.db2.gz ORBKCAJWLDNGCU-UHFFFAOYSA-N -1 1 332.356 3.737 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001147797826 1137413053 /nfs/dbraw/zinc/41/30/53/1137413053.db2.gz ISPAWGMXGMKLMD-UHFFFAOYSA-N -1 1 336.395 3.523 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)[n-]1 ZINC001148325941 1137422473 /nfs/dbraw/zinc/42/24/73/1137422473.db2.gz BYUNFLCEPZHJGH-LJQANCHMSA-N -1 1 347.418 3.607 20 0 EHADMM CC[C@H](CNC(=O)c1c([O-])cccc1Cl)Oc1ccccc1C ZINC001148294783 1137422491 /nfs/dbraw/zinc/42/24/91/1137422491.db2.gz NCSHVDOQJDTJKL-CYBMUJFWSA-N -1 1 333.815 3.941 20 0 EHADMM O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790467 1137433695 /nfs/dbraw/zinc/43/36/95/1137433695.db2.gz LCKWBHTUDJPFLK-UHFFFAOYSA-N -1 1 347.296 3.849 20 0 EHADMM Cn1nnc2cc(NC(=O)c3cccc(-c4ccccc4)c3[O-])ccc21 ZINC001148869594 1137436660 /nfs/dbraw/zinc/43/66/60/1137436660.db2.gz KXADEDFSCRFSLH-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM CC1(C)C[C@@H](CNC(=O)c2cccc(-c3ccccc3)c2[O-])CCO1 ZINC001148873272 1137436933 /nfs/dbraw/zinc/43/69/33/1137436933.db2.gz QWLDUQPCBZIBSM-HNNXBMFYSA-N -1 1 339.435 3.994 20 0 EHADMM O=C(NCc1ccc(O)cc1F)c1cccc(-c2ccccc2)c1[O-] ZINC001148872936 1137436980 /nfs/dbraw/zinc/43/69/80/1137436980.db2.gz LTTKUGAGOCOKLA-UHFFFAOYSA-N -1 1 337.350 3.834 20 0 EHADMM O=C(NCc1cc2ccccn2n1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872054 1137437023 /nfs/dbraw/zinc/43/70/23/1137437023.db2.gz FRLVMLZWCHYWIY-UHFFFAOYSA-N -1 1 343.386 3.637 20 0 EHADMM CC1(C)CCC(NC(=O)c2cc([O-])c(Br)c(O)c2)CC1 ZINC001148996433 1137438935 /nfs/dbraw/zinc/43/89/35/1137438935.db2.gz NAMADYMJLIUAAH-UHFFFAOYSA-N -1 1 342.233 3.559 20 0 EHADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001149020082 1137439242 /nfs/dbraw/zinc/43/92/42/1137439242.db2.gz SHAXISRLKTVLDK-XJKSGUPXSA-N -1 1 329.827 3.993 20 0 EHADMM Cc1nc(C2CCN(Cc3ccc(F)cc3)CC2)sc1C(=O)[O-] ZINC000872164129 1137574701 /nfs/dbraw/zinc/57/47/01/1137574701.db2.gz DGUYADZFCLCKGR-UHFFFAOYSA-N -1 1 334.416 3.668 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000872164286 1137574750 /nfs/dbraw/zinc/57/47/50/1137574750.db2.gz RKVUXVMERZOKEU-NSHDSACASA-N -1 1 345.399 3.569 20 0 EHADMM CC[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1c(C)noc1C ZINC000872952764 1137586930 /nfs/dbraw/zinc/58/69/30/1137586930.db2.gz QTTLCJUEGBBSII-CYBMUJFWSA-N -1 1 337.807 3.601 20 0 EHADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc(Br)ccc1[O-] ZINC001137069216 1137593399 /nfs/dbraw/zinc/59/33/99/1137593399.db2.gz UMSOUKFOVNOIJL-OCCSQVGLSA-N -1 1 338.245 3.853 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCCc2sccc2C1 ZINC000876394571 1137650736 /nfs/dbraw/zinc/65/07/36/1137650736.db2.gz XVABNZULLAVVHB-UHFFFAOYSA-N -1 1 336.844 3.765 20 0 EHADMM O=c1[n-]c(CN(c2ccsc2)C2CCCCC2)nc2c1COCC2 ZINC000878521893 1137718816 /nfs/dbraw/zinc/71/88/16/1137718816.db2.gz HLOLUWKIOBOEBP-UHFFFAOYSA-N -1 1 345.468 3.656 20 0 EHADMM CCc1ccc(C(C)(C)CNC(=O)c2cc(C)cc(C=O)c2[O-])cc1 ZINC001137147033 1137761094 /nfs/dbraw/zinc/76/10/94/1137761094.db2.gz FLLMCWSAHYXMCH-UHFFFAOYSA-N -1 1 339.435 3.783 20 0 EHADMM CC1(C)C[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCS1 ZINC000888798746 1137766897 /nfs/dbraw/zinc/76/68/97/1137766897.db2.gz OKFMTPLRKBVVIM-JTQLQIEISA-N -1 1 333.375 3.815 20 0 EHADMM Cn1ccc([C@H]([N-]c2nnc(C(C)(C)C)o2)c2ccc(Cl)cc2)n1 ZINC000882189365 1137823454 /nfs/dbraw/zinc/82/34/54/1137823454.db2.gz PHRKGEXCMWZTLY-CQSZACIVSA-N -1 1 345.834 3.956 20 0 EHADMM O=S(=O)([N-]CC[C@@H]1CCCC1(F)F)c1sccc1Cl ZINC000882591061 1137830036 /nfs/dbraw/zinc/83/00/36/1137830036.db2.gz BBYOVSAMYGXZDQ-QMMMGPOBSA-N -1 1 329.821 3.505 20 0 EHADMM O=C(OCc1ccc(Cl)nc1Cl)c1c([O-])cc(F)cc1F ZINC000800154880 1137900007 /nfs/dbraw/zinc/90/00/07/1137900007.db2.gz ZBMUSYAPTUBLOH-UHFFFAOYSA-N -1 1 334.105 3.729 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000111666393 1137905121 /nfs/dbraw/zinc/90/51/21/1137905121.db2.gz QHGFRPGRRWFLEO-OAHLLOKOSA-N -1 1 347.798 3.856 20 0 EHADMM Cn1cc([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000333075373 1137954654 /nfs/dbraw/zinc/95/46/54/1137954654.db2.gz PIKUBFNWTQRXKF-GOSISDBHSA-N -1 1 335.407 3.646 20 0 EHADMM CC(C)(CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)CC(F)F ZINC000884684857 1137968091 /nfs/dbraw/zinc/96/80/91/1137968091.db2.gz RBMKWCSKHWFQNG-UHFFFAOYSA-N -1 1 340.322 3.613 20 0 EHADMM CCCn1nc(C)c(C(=O)Nc2cc(F)c([O-])cc2Cl)c1C ZINC000885676336 1138017719 /nfs/dbraw/zinc/01/77/19/1138017719.db2.gz NHCVQKHSIAXTQC-UHFFFAOYSA-N -1 1 325.771 3.660 20 0 EHADMM O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1cc(F)c([O-])cc1Cl ZINC000885680796 1138018091 /nfs/dbraw/zinc/01/80/91/1138018091.db2.gz ZJKZDQUNLAQONC-JTQLQIEISA-N -1 1 327.783 3.863 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCOC2(CCCC2)C1 ZINC000885681642 1138018376 /nfs/dbraw/zinc/01/83/76/1138018376.db2.gz FQAOJDVHGVJYAB-JTQLQIEISA-N -1 1 327.783 3.863 20 0 EHADMM CC[C@@H](CC(=O)NCCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000067078337 1138079958 /nfs/dbraw/zinc/07/99/58/1138079958.db2.gz UDIUMXDXZCNMMM-ZDUSSCGKSA-N -1 1 344.484 3.518 20 0 EHADMM CCN(CC1CC1)C(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000069971802 1138091731 /nfs/dbraw/zinc/09/17/31/1138091731.db2.gz QAPRDVMXYKEPBZ-UHFFFAOYSA-N -1 1 344.484 3.565 20 0 EHADMM CC(C)n1c(CNC(=O)Nc2cc(Cl)ccc2F)n[n-]c1=S ZINC000085551161 1138184545 /nfs/dbraw/zinc/18/45/45/1138184545.db2.gz LFKGKJUZWPTPNZ-UHFFFAOYSA-N -1 1 343.815 3.636 20 0 EHADMM CN(CCCF)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000887140267 1138221165 /nfs/dbraw/zinc/22/11/65/1138221165.db2.gz XNZWDAUGNATCDH-UHFFFAOYSA-N -1 1 349.406 3.582 20 0 EHADMM Cc1ccc(NC(=O)Nc2nc(Br)ccc2[O-])c(C)c1 ZINC001202736202 1138247627 /nfs/dbraw/zinc/24/76/27/1138247627.db2.gz SBUBQWPQFCOLCH-UHFFFAOYSA-N -1 1 336.189 3.811 20 0 EHADMM CC(C)CCCC[N-]S(=O)(=O)c1sccc1Br ZINC000096867364 1138457751 /nfs/dbraw/zinc/45/77/51/1138457751.db2.gz RSBZKDOLTWLOHN-UHFFFAOYSA-N -1 1 340.308 3.615 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cncs1 ZINC000338430292 1138910925 /nfs/dbraw/zinc/91/09/25/1138910925.db2.gz HBABFCJAHQEGKO-YFKPBYRVSA-N -1 1 343.282 3.551 20 0 EHADMM CCOc1cc(C(=O)N2CC[C@@H](O)c3ccccc32)cc(Cl)c1[O-] ZINC000889252744 1139184301 /nfs/dbraw/zinc/18/43/01/1139184301.db2.gz CTWXKVZFMQOMPE-OAHLLOKOSA-N -1 1 347.798 3.528 20 0 EHADMM CCCCCC[C@@H](CC)C(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889791285 1139268806 /nfs/dbraw/zinc/26/88/06/1139268806.db2.gz FRAHUVMWGHAREN-CABCVRRESA-N -1 1 349.475 3.851 20 0 EHADMM CCCc1nc(C)c(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)s1 ZINC000777398379 1140052510 /nfs/dbraw/zinc/05/25/10/1140052510.db2.gz CUOHYJVNFYKRRS-UHFFFAOYSA-N -1 1 334.445 3.584 20 0 EHADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000267012807 1140750808 /nfs/dbraw/zinc/75/08/08/1140750808.db2.gz NUNBRZFJPIZHHD-HNNXBMFYSA-N -1 1 339.439 3.514 20 0 EHADMM CCOc1cc(C(=O)Nc2cc(C3CC3)n(CC)n2)cc(Cl)c1[O-] ZINC000273893178 1141441701 /nfs/dbraw/zinc/44/17/01/1141441701.db2.gz VVIODLHZHJZEHS-UHFFFAOYSA-N -1 1 349.818 3.790 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000274282892 1141493192 /nfs/dbraw/zinc/49/31/92/1141493192.db2.gz KJJGYIQVGXJMQE-GFCCVEGCSA-N -1 1 349.500 3.645 20 0 EHADMM O=C(CSc1ccc(F)cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339130200 1141505691 /nfs/dbraw/zinc/50/56/91/1141505691.db2.gz XLCPJXVZHVAUJZ-UHFFFAOYSA-N -1 1 343.383 3.652 20 0 EHADMM [O-]c1cccc(CNc2cc(-c3ccccc3)nn2CCO)c1Cl ZINC000339222188 1141533035 /nfs/dbraw/zinc/53/30/35/1141533035.db2.gz QLESVDYTMBKBKW-UHFFFAOYSA-N -1 1 343.814 3.514 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1F ZINC000024578797 202118530 /nfs/dbraw/zinc/11/85/30/202118530.db2.gz LBXBONCICYWYOI-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000071977666 201172326 /nfs/dbraw/zinc/17/23/26/201172326.db2.gz UAMNOTMHUHINBS-UHFFFAOYSA-N -1 1 346.383 3.573 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC000071977969 203155834 /nfs/dbraw/zinc/15/58/34/203155834.db2.gz QTIMFCOXWPVZOB-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000119782051 204308287 /nfs/dbraw/zinc/30/82/87/204308287.db2.gz RVQZSQHWSUMJCH-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM Clc1ccc(Sc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737575579 598933486 /nfs/dbraw/zinc/93/34/86/598933486.db2.gz YAFPBTWJPYZISX-UHFFFAOYSA-N -1 1 340.799 3.615 20 0 EHADMM CCCC1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736436284 598961324 /nfs/dbraw/zinc/96/13/24/598961324.db2.gz QEVFHFQLJTWWOZ-UHFFFAOYSA-N -1 1 337.431 3.581 20 0 EHADMM CCCC1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736436284 598961326 /nfs/dbraw/zinc/96/13/26/598961326.db2.gz QEVFHFQLJTWWOZ-UHFFFAOYSA-N -1 1 337.431 3.581 20 0 EHADMM C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818075595 597087336 /nfs/dbraw/zinc/08/73/36/597087336.db2.gz BOYBBQIRSZBFOZ-NEPJUHHUSA-N -1 1 349.818 3.638 20 0 EHADMM c1ccc2c(c1)CCC[C@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000738443577 599254105 /nfs/dbraw/zinc/25/41/05/599254105.db2.gz XXSQSHGATCVSDF-MRXNPFEDSA-N -1 1 342.406 3.904 20 0 EHADMM c1ccc2c(c1)CCC[C@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000738443577 599254106 /nfs/dbraw/zinc/25/41/06/599254106.db2.gz XXSQSHGATCVSDF-MRXNPFEDSA-N -1 1 342.406 3.904 20 0 EHADMM CC(C)c1ccc(CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000735924333 598570888 /nfs/dbraw/zinc/57/08/88/598570888.db2.gz QWFYZXOYIYJBPJ-UHFFFAOYSA-N -1 1 342.834 3.675 20 0 EHADMM CC(C)c1ccc(CN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000735924333 598570889 /nfs/dbraw/zinc/57/08/89/598570889.db2.gz QWFYZXOYIYJBPJ-UHFFFAOYSA-N -1 1 342.834 3.675 20 0 EHADMM CC(C)[C@@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735748100 598756819 /nfs/dbraw/zinc/75/68/19/598756819.db2.gz HUGDQYUYGHTPGK-RKDXNWHRSA-N -1 1 326.857 3.603 20 0 EHADMM CC(C)[C@@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735748100 598756821 /nfs/dbraw/zinc/75/68/21/598756821.db2.gz HUGDQYUYGHTPGK-RKDXNWHRSA-N -1 1 326.857 3.603 20 0 EHADMM O=C([O-])c1coc(CN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000565105264 599845241 /nfs/dbraw/zinc/84/52/41/599845241.db2.gz RDBPYOJGOOKPHO-UHFFFAOYSA-N -1 1 342.420 3.967 20 0 EHADMM Cc1[nH]c(C(=O)CN(C)[C@@H](c2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738233369 600541654 /nfs/dbraw/zinc/54/16/54/600541654.db2.gz HXBYJJLOCVOYLU-LJQANCHMSA-N -1 1 342.439 3.842 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1OCC1CC1)c1ccc(F)cc1 ZINC000739505583 600599825 /nfs/dbraw/zinc/59/98/25/600599825.db2.gz SRQPPMAGKHEJDP-GOSISDBHSA-N -1 1 329.371 3.530 20 0 EHADMM O=C([O-])c1ccc(OCCNc2ccnc3cc(F)ccc32)cc1 ZINC000740167256 600638197 /nfs/dbraw/zinc/63/81/97/600638197.db2.gz ACACKZNBTXYPAE-UHFFFAOYSA-N -1 1 326.327 3.563 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1F ZINC000833170529 600745132 /nfs/dbraw/zinc/74/51/32/600745132.db2.gz XBZPZZPPLCMMAD-AWEZNQCLSA-N -1 1 327.277 3.760 20 0 EHADMM Cc1ccc(C)c([C@@H]2CN(Cc3cccc(C(=O)[O-])c3)[C@H](C)CO2)c1 ZINC000263475943 600835158 /nfs/dbraw/zinc/83/51/58/600835158.db2.gz MPHHRWRMQOUISC-UZLBHIALSA-N -1 1 339.435 3.964 20 0 EHADMM CCOC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000652394283 600990842 /nfs/dbraw/zinc/99/08/42/600990842.db2.gz UTUHDPKUIPUEIP-CQSZACIVSA-N -1 1 332.227 3.620 20 0 EHADMM CN(Cc1ccc(Cl)nc1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830825395 601006512 /nfs/dbraw/zinc/00/65/12/601006512.db2.gz UCACOSCYNQQUFQ-AWEZNQCLSA-N -1 1 325.195 3.646 20 0 EHADMM C/C(=C/CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C)C(=O)[O-] ZINC000825742090 601178893 /nfs/dbraw/zinc/17/88/93/601178893.db2.gz VYFJOEOPKKWLLP-OOXMNIKJSA-N -1 1 327.428 3.785 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000826055069 601205104 /nfs/dbraw/zinc/20/51/04/601205104.db2.gz VIHAQYWTAZMQDG-KUHUBIRLSA-N -1 1 336.391 3.893 20 0 EHADMM O=C([O-])c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1F ZINC000833314548 601615354 /nfs/dbraw/zinc/61/53/54/601615354.db2.gz LKWDYKDRDYJYML-AWEZNQCLSA-N -1 1 349.427 3.767 20 0 EHADMM O=C([O-])CCC1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000324285578 601841310 /nfs/dbraw/zinc/84/13/10/601841310.db2.gz QHNSDVFUNDUVNV-UHFFFAOYSA-N -1 1 332.375 3.558 20 0 EHADMM O=C([O-])CCC1CCN(Cc2cc3ccccc3nc2Cl)CC1 ZINC000833225902 601842626 /nfs/dbraw/zinc/84/26/26/601842626.db2.gz SQZMKWQJRGCFEW-UHFFFAOYSA-N -1 1 332.831 3.965 20 0 EHADMM Cc1ccc(C(=O)C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000521886574 601941896 /nfs/dbraw/zinc/94/18/96/601941896.db2.gz CECJPZDBDHRBMC-UHFFFAOYSA-N -1 1 343.448 3.850 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000829659252 602324607 /nfs/dbraw/zinc/32/46/07/602324607.db2.gz XMOJBCCGRRRRBK-KRWDZBQOSA-N -1 1 344.386 3.546 20 0 EHADMM Cc1c(Cl)c(CN2CC[C@H](CN(C)C(=O)[O-])C2)nc2ccccc12 ZINC000740054153 602529573 /nfs/dbraw/zinc/52/95/73/602529573.db2.gz XOTDTZZZSWWGMR-CYBMUJFWSA-N -1 1 347.846 3.628 20 0 EHADMM O=C([O-])N1CCc2cccc(CNCc3ccc4ccccc4n3)c21 ZINC000832086558 603855731 /nfs/dbraw/zinc/85/57/31/603855731.db2.gz GYRVPAINVXVBMF-UHFFFAOYSA-N -1 1 333.391 3.565 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000833206873 604337347 /nfs/dbraw/zinc/33/73/47/604337347.db2.gz BTEAFAYFWXYHKJ-LLVKDONJSA-N -1 1 342.317 3.676 20 0 EHADMM CN(Cc1cc(-c2ccc(Cl)cc2)no1)C1(C(=O)[O-])CCCC1 ZINC000830806837 604464473 /nfs/dbraw/zinc/46/44/73/604464473.db2.gz WMWLPCPDNPDJPK-UHFFFAOYSA-N -1 1 334.803 3.824 20 0 EHADMM Cc1cc([C@H](C)Sc2nc(-c3ccccc3)n[nH]2)oc1C(=O)[O-] ZINC000832872808 604704644 /nfs/dbraw/zinc/70/46/44/604704644.db2.gz AQSKCHUVNDOIFN-JTQLQIEISA-N -1 1 329.381 3.925 20 0 EHADMM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)[O-])CC1 ZINC000563276910 605062119 /nfs/dbraw/zinc/06/21/19/605062119.db2.gz HPJCJJNGCVCVAP-NSHDSACASA-N -1 1 334.803 3.853 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000833812569 605597691 /nfs/dbraw/zinc/59/76/91/605597691.db2.gz KEMHSLIKTVLFOR-OCCSQVGLSA-N -1 1 337.489 3.669 20 0 EHADMM CC(C)N(C)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000820112507 606410422 /nfs/dbraw/zinc/41/04/22/606410422.db2.gz WDYXJDAZKBSZRN-UHFFFAOYSA-N -1 1 346.435 3.524 20 0 EHADMM Cc1ccc([C@H]2CCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822233800 606449139 /nfs/dbraw/zinc/44/91/39/606449139.db2.gz VGQMXCWXUWFMAJ-CQSZACIVSA-N -1 1 340.818 3.565 20 0 EHADMM Cc1ccc([C@H]2CCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822233800 606449140 /nfs/dbraw/zinc/44/91/40/606449140.db2.gz VGQMXCWXUWFMAJ-CQSZACIVSA-N -1 1 340.818 3.565 20 0 EHADMM Cc1ccc([C@@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000822233394 606449145 /nfs/dbraw/zinc/44/91/45/606449145.db2.gz NYMLGJUZMRKGIX-NSHDSACASA-N -1 1 346.847 3.627 20 0 EHADMM Cc1ccc([C@@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000822233394 606449147 /nfs/dbraw/zinc/44/91/47/606449147.db2.gz NYMLGJUZMRKGIX-NSHDSACASA-N -1 1 346.847 3.627 20 0 EHADMM C[C@H](Sc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000820549725 606461844 /nfs/dbraw/zinc/46/18/44/606461844.db2.gz QXDBMDZAXALSGT-QMMMGPOBSA-N -1 1 335.795 3.908 20 0 EHADMM C[C@H](Sc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000820549725 606461845 /nfs/dbraw/zinc/46/18/45/606461845.db2.gz QXDBMDZAXALSGT-QMMMGPOBSA-N -1 1 335.795 3.908 20 0 EHADMM Cc1ccccc1[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000822350998 606467270 /nfs/dbraw/zinc/46/72/70/606467270.db2.gz IYRDTKMHOQWCLP-HNNXBMFYSA-N -1 1 340.818 3.787 20 0 EHADMM Cc1ccccc1[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000822350998 606467271 /nfs/dbraw/zinc/46/72/71/606467271.db2.gz IYRDTKMHOQWCLP-HNNXBMFYSA-N -1 1 340.818 3.787 20 0 EHADMM c1ccc2c(c1)[nH]c1cc(Oc3cccc(-c4nnn[n-]4)n3)ccc12 ZINC000826517928 607895028 /nfs/dbraw/zinc/89/50/28/607895028.db2.gz UUJIUYKGHYQJLP-UHFFFAOYSA-N -1 1 328.335 3.689 20 0 EHADMM c1ccc2c(c1)[nH]c1cc(Oc3cccc(-c4nn[n-]n4)n3)ccc12 ZINC000826517928 607895029 /nfs/dbraw/zinc/89/50/29/607895029.db2.gz UUJIUYKGHYQJLP-UHFFFAOYSA-N -1 1 328.335 3.689 20 0 EHADMM CCCOc1cccc(Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000825342853 608175983 /nfs/dbraw/zinc/17/59/83/608175983.db2.gz XFKNWGGJWDVRAF-UHFFFAOYSA-N -1 1 336.808 3.509 20 0 EHADMM CCCOc1cccc(Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000825342853 608175984 /nfs/dbraw/zinc/17/59/84/608175984.db2.gz XFKNWGGJWDVRAF-UHFFFAOYSA-N -1 1 336.808 3.509 20 0 EHADMM CCC(=CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)CC ZINC000825029514 608349876 /nfs/dbraw/zinc/34/98/76/608349876.db2.gz VAMFGVSTOAEDBL-UHFFFAOYSA-N -1 1 333.461 3.911 20 0 EHADMM CCC(=CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)CC ZINC000825029514 608349878 /nfs/dbraw/zinc/34/98/78/608349878.db2.gz VAMFGVSTOAEDBL-UHFFFAOYSA-N -1 1 333.461 3.911 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2sccc2Br)C1 ZINC000043676823 948895257 /nfs/dbraw/zinc/89/52/57/948895257.db2.gz GVKNFCDIHSNXKC-SNVBAGLBSA-N -1 1 332.263 3.587 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000049842242 948913838 /nfs/dbraw/zinc/91/38/38/948913838.db2.gz PWTPYPCTQZZMSZ-LBPRGKRZSA-N -1 1 326.234 3.526 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(Br)c2)C1 ZINC000062877422 948964088 /nfs/dbraw/zinc/96/40/88/948964088.db2.gz VZVJPFHHYZPTMS-CYBMUJFWSA-N -1 1 332.263 3.587 20 0 EHADMM C[C@H](c1ccccc1)c1ccc(Oc2ncncc2-c2nnn[n-]2)cc1 ZINC001575515846 949199469 /nfs/dbraw/zinc/19/94/69/949199469.db2.gz LNNNBGPFUFTUHP-CYBMUJFWSA-N -1 1 344.378 3.601 20 0 EHADMM C[C@H](c1ccccc1)c1ccc(Oc2ncncc2-c2nn[n-]n2)cc1 ZINC001575515846 949199477 /nfs/dbraw/zinc/19/94/77/949199477.db2.gz LNNNBGPFUFTUHP-CYBMUJFWSA-N -1 1 344.378 3.601 20 0 EHADMM CCCCc1nc2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2[nH]1 ZINC001589668164 949918097 /nfs/dbraw/zinc/91/80/97/949918097.db2.gz YVWIFLFSBMKLIJ-QGZVFWFLSA-N -1 1 343.427 3.735 20 0 EHADMM C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302493628 950566744 /nfs/dbraw/zinc/56/67/44/950566744.db2.gz JMYQHPXCLLSKLI-GYSYKLTISA-N -1 1 326.234 3.553 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cscc1Br ZINC000306104482 950594535 /nfs/dbraw/zinc/59/45/35/950594535.db2.gz QVQFZPXKRJIQCW-NSHDSACASA-N -1 1 332.263 3.730 20 0 EHADMM CC(C)(C)c1ccc2c(c1)CCN2Cc1csc(-c2nn[n-]n2)c1 ZINC001573881932 950759239 /nfs/dbraw/zinc/75/92/39/950759239.db2.gz KDVJRSFIJPXOQX-UHFFFAOYSA-N -1 1 339.468 3.788 20 0 EHADMM Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000652496320 954091396 /nfs/dbraw/zinc/09/13/96/954091396.db2.gz RVJSCDRHKQYMCL-HUUCEWRRSA-N -1 1 343.427 3.683 20 0 EHADMM CC[C@@H](C(=O)OC(C)(C)C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001589448035 954782741 /nfs/dbraw/zinc/78/27/41/954782741.db2.gz WCGURQUMKXNTOG-KRWDZBQOSA-N -1 1 347.455 3.685 20 0 EHADMM CN(Cc1csc(Br)c1)Cc1ccc(C(=O)[O-])cc1 ZINC000037918795 957336430 /nfs/dbraw/zinc/33/64/30/957336430.db2.gz DBJWXTINJZOUQK-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM CN(Cc1csc(Br)c1)Cc1ccccc1C(=O)[O-] ZINC000042362893 957411632 /nfs/dbraw/zinc/41/16/32/957411632.db2.gz OADKHWLJCPZLFQ-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM Cc1cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c(Br)cc1F ZINC001594303231 957930203 /nfs/dbraw/zinc/93/02/03/957930203.db2.gz OCXOLXRDGMOWAD-MNOVXSKESA-N -1 1 344.224 3.582 20 0 EHADMM CCCCc1nc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2[nH]1 ZINC000236945394 960806196 /nfs/dbraw/zinc/80/61/96/960806196.db2.gz RSFJKXFXTDYTHS-UHFFFAOYSA-N -1 1 337.379 3.856 20 0 EHADMM Cc1cc(Br)c(CN2CC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC000263498861 962682530 /nfs/dbraw/zinc/68/25/30/962682530.db2.gz KIKMFKDRAFXQOC-CQSZACIVSA-N -1 1 346.652 3.708 20 0 EHADMM C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603290028 972542752 /nfs/dbraw/zinc/54/27/52/972542752.db2.gz ARILVJBWHPRSPK-VXGBXAGGSA-N -1 1 349.431 3.592 20 0 EHADMM COc1cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])ccc1Cl ZINC001604709412 973910294 /nfs/dbraw/zinc/91/02/94/973910294.db2.gz KFKMFZSJLDSVDW-KRWDZBQOSA-N -1 1 331.799 3.533 20 0 EHADMM O=C([O-])c1ccccc1OCCNC1(c2c(F)cccc2F)CCC1 ZINC001606528993 974041091 /nfs/dbraw/zinc/04/10/91/974041091.db2.gz MJMYBLZZYURADH-UHFFFAOYSA-N -1 1 347.361 3.711 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1csc(Br)c1 ZINC000530174546 974362898 /nfs/dbraw/zinc/36/28/98/974362898.db2.gz LNJAVWHOCVZRKF-DOFRTFSJSA-N -1 1 332.263 3.584 20 0 EHADMM CCCc1nc(C)c(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])o1 ZINC000563456571 974535195 /nfs/dbraw/zinc/53/51/95/974535195.db2.gz WTDWLNUBNFYKFZ-HZPDHXFCSA-N -1 1 334.460 3.791 20 0 EHADMM COc1ccccc1CCN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000566014925 974593967 /nfs/dbraw/zinc/59/39/67/974593967.db2.gz ACPPCRWKMSXJOH-UHFFFAOYSA-N -1 1 333.815 3.721 20 0 EHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000566357762 974607274 /nfs/dbraw/zinc/60/72/74/974607274.db2.gz KVWPGHAFXVMKOJ-QGZVFWFLSA-N -1 1 334.416 3.636 20 0 EHADMM CC[C@H](CSC)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000568404574 974670296 /nfs/dbraw/zinc/67/02/96/974670296.db2.gz ZQCNKPCYUORKMO-OAHLLOKOSA-N -1 1 334.441 3.613 20 0 EHADMM COc1ccc2c(c1)C1(CC1)CN([C@H](C(=O)[O-])c1ccccc1F)C2 ZINC000572967592 974756720 /nfs/dbraw/zinc/75/67/20/974756720.db2.gz MHQISUPDTLBPTQ-SFHVURJKSA-N -1 1 341.382 3.507 20 0 EHADMM COc1ccc2c(c1)C1(CC1)CN([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC000572967591 974756975 /nfs/dbraw/zinc/75/69/75/974756975.db2.gz MHQISUPDTLBPTQ-GOSISDBHSA-N -1 1 341.382 3.507 20 0 EHADMM CO[C@@H](CN(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccc(Cl)cc1 ZINC000574047038 974776174 /nfs/dbraw/zinc/77/61/74/974776174.db2.gz QJXBUTLUQZNFQA-INIZCTEOSA-N -1 1 337.803 3.759 20 0 EHADMM CN(CCOc1ccccc1Cl)Cc1csc(C(=O)[O-])c1 ZINC000577118358 974829235 /nfs/dbraw/zinc/82/92/35/974829235.db2.gz ZLABOQSECACDSF-UHFFFAOYSA-N -1 1 325.817 3.611 20 0 EHADMM Cc1ccccc1-c1cnc(CN2CCC[C@@H](CCC(=O)[O-])C2)o1 ZINC000578983430 974865398 /nfs/dbraw/zinc/86/53/98/974865398.db2.gz DHYNDGSBQPKJTD-HNNXBMFYSA-N -1 1 328.412 3.727 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434837 975529824 /nfs/dbraw/zinc/52/98/24/975529824.db2.gz FZMRGIBOVVHPLB-ZDUSSCGKSA-N -1 1 335.787 3.593 20 0 EHADMM CC[C@H](OCCN1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000652485909 975551316 /nfs/dbraw/zinc/55/13/16/975551316.db2.gz VBSKIULHCGOGML-FQEVSTJZSA-N -1 1 339.435 3.911 20 0 EHADMM CO[C@@H](CN1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790721 975878897 /nfs/dbraw/zinc/87/88/97/975878897.db2.gz HEMIOEFMYIGWBV-KRWDZBQOSA-N -1 1 331.799 3.742 20 0 EHADMM Cc1nc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000659801898 975892113 /nfs/dbraw/zinc/89/21/13/975892113.db2.gz MFPMKNQXLKOUMM-XBXGTLAGSA-N -1 1 334.803 3.598 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2ncoc2CCC(F)(F)F)s1 ZINC001125275606 1014389701 /nfs/dbraw/zinc/38/97/01/1014389701.db2.gz WEEQUXCZYCFLAM-UHFFFAOYSA-N -1 1 348.350 3.571 20 0 EHADMM C[C@@](CC(=O)[O-])(NCc1cccc(Cl)c1Cl)c1ccncc1 ZINC001592328955 977750113 /nfs/dbraw/zinc/75/01/13/977750113.db2.gz PFTXGUSEEUYBBD-INIZCTEOSA-N -1 1 339.222 3.868 20 0 EHADMM C[C@@H](CCO)N(Cc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC001592530776 978401870 /nfs/dbraw/zinc/40/18/70/978401870.db2.gz YDTGAWUZYPEMQC-AWEZNQCLSA-N -1 1 347.842 3.811 20 0 EHADMM Cc1oc(CN2CCC(OCc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000859790470 979630941 /nfs/dbraw/zinc/63/09/41/979630941.db2.gz FTFCSNCSWZQLIW-UHFFFAOYSA-N -1 1 347.386 3.607 20 0 EHADMM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1ccc(Cl)c(Cl)c1 ZINC000900068416 980240807 /nfs/dbraw/zinc/24/08/07/980240807.db2.gz HKNBKFGORIKFBI-GFCCVEGCSA-N -1 1 340.210 3.513 20 0 EHADMM CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)[C@H](C)c1ccc(F)cc1 ZINC000901429354 980276750 /nfs/dbraw/zinc/27/67/50/980276750.db2.gz UZTNPJUKRCTPRT-CQSZACIVSA-N -1 1 347.434 3.697 20 0 EHADMM CC[C@@H](N[C@@H](CCO)c1ccccc1F)c1ccc(C(=O)[O-])cc1 ZINC001595280963 980327940 /nfs/dbraw/zinc/32/79/40/980327940.db2.gz GBTDHOZLLFSUIV-MSOLQXFVSA-N -1 1 331.387 3.688 20 0 EHADMM CC[C@@H](NCC(=O)c1cc(C(=O)[O-])[nH]c1C)c1cccc(Cl)c1 ZINC001595285978 980361064 /nfs/dbraw/zinc/36/10/64/980361064.db2.gz AVLNZWCHQWONTB-CQSZACIVSA-N -1 1 334.803 3.598 20 0 EHADMM O=C([O-])Cc1ccc(CNCc2cnc(C3CCCC3)s2)cc1 ZINC000901536549 980364360 /nfs/dbraw/zinc/36/43/60/980364360.db2.gz CSKRXMMMSJFYHK-UHFFFAOYSA-N -1 1 330.453 3.718 20 0 EHADMM CC[C@H](NCCOc1ccc(/C=C\C(=O)[O-])cc1)c1nc(C)cs1 ZINC001595294351 980408547 /nfs/dbraw/zinc/40/85/47/980408547.db2.gz PRHTUPMZTXTQJX-HWYHOQROSA-N -1 1 346.452 3.669 20 0 EHADMM CC[C@@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1nc(C)cs1 ZINC001595300673 980434701 /nfs/dbraw/zinc/43/47/01/980434701.db2.gz RQUVKONHSBWKSQ-OAHLLOKOSA-N -1 1 330.453 3.809 20 0 EHADMM CCc1oc(CN[C@@H](C)c2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000902112280 980740565 /nfs/dbraw/zinc/74/05/65/980740565.db2.gz LUJJZTQFLZXAOB-JTQLQIEISA-N -1 1 339.338 3.992 20 0 EHADMM CC[C@H](C)C(=O)Nc1cccc(CNCc2csc(C(=O)[O-])c2)c1 ZINC000902145577 980756297 /nfs/dbraw/zinc/75/62/97/980756297.db2.gz ZDPUPSVKUGLLPO-LBPRGKRZSA-N -1 1 346.452 3.721 20 0 EHADMM Cc1oc(CNCc2cccc(COC(C)(C)C)c2)cc1C(=O)[O-] ZINC000902212982 980785364 /nfs/dbraw/zinc/78/53/64/980785364.db2.gz KNFXANIWMFRYDC-UHFFFAOYSA-N -1 1 331.412 3.891 20 0 EHADMM CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cc(C(=O)[O-])c(C)o1 ZINC000902267685 980808975 /nfs/dbraw/zinc/80/89/75/980808975.db2.gz HLPIFCHDGXIXHV-MGPLVRAMSA-N -1 1 337.803 3.805 20 0 EHADMM CC[C@](C)(NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1nc(C)cs1 ZINC000902293845 980821110 /nfs/dbraw/zinc/82/11/10/980821110.db2.gz RGGJEPJHVLICMG-UGSOOPFHSA-N -1 1 348.468 3.718 20 0 EHADMM O=C([O-])c1ccc2[nH]cc(C3CCN(Cc4ccns4)CC3)c2c1 ZINC000902568140 980937298 /nfs/dbraw/zinc/93/72/98/980937298.db2.gz IEFPLLKDVNFZQM-UHFFFAOYSA-N -1 1 341.436 3.702 20 0 EHADMM O=C([O-])c1ccc2[nH]cc(C3CCN(Cc4nccs4)CC3)c2c1 ZINC000902568589 980937326 /nfs/dbraw/zinc/93/73/26/980937326.db2.gz LRKLHSYUAXUQDT-UHFFFAOYSA-N -1 1 341.436 3.702 20 0 EHADMM CC[C@H]1CCCN(Cc2oc(Br)cc2C(=O)[O-])CC1 ZINC001595458164 981130765 /nfs/dbraw/zinc/13/07/65/981130765.db2.gz BNCMJRJECRRLSM-JTQLQIEISA-N -1 1 330.222 3.752 20 0 EHADMM C[C@@H](NCCC(C)(C)C(=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 ZINC000905786475 981150050 /nfs/dbraw/zinc/15/00/50/981150050.db2.gz PZEAKZXHZNPGIF-SNVBAGLBSA-N -1 1 337.807 3.542 20 0 EHADMM CC[C@H](C)[C@H](C(=O)[O-])N1Cc2ccc(C)c(Br)c2C1 ZINC001594873282 982192877 /nfs/dbraw/zinc/19/28/77/982192877.db2.gz LXFFNVYPGJIWAH-LKFCYVNXSA-N -1 1 326.234 3.572 20 0 EHADMM CCCN(C(=O)c1cc(Cl)c2ccccc2c1O)[C@@H](C)C(=O)[O-] ZINC001595824815 982707719 /nfs/dbraw/zinc/70/77/19/982707719.db2.gz WPLRRMHENQEHID-JTQLQIEISA-N -1 1 335.787 3.524 20 0 EHADMM CC[C@@H](C)N(CCc1ccccc1F)Cc1ncc(C(=O)[O-])s1 ZINC001594985498 982804059 /nfs/dbraw/zinc/80/40/59/982804059.db2.gz RIZNMZICVHCTDO-GFCCVEGCSA-N -1 1 336.432 3.824 20 0 EHADMM CC[N@H+](Cc1ccc(Cl)cc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001596360033 983838510 /nfs/dbraw/zinc/83/85/10/983838510.db2.gz ZIHYBZHLMLYZCB-UHFFFAOYSA-N -1 1 343.814 3.868 20 0 EHADMM CCN(Cc1ccc(Cl)cc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001596360033 983838519 /nfs/dbraw/zinc/83/85/19/983838519.db2.gz ZIHYBZHLMLYZCB-UHFFFAOYSA-N -1 1 343.814 3.868 20 0 EHADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157535260 1015038938 /nfs/dbraw/zinc/03/89/38/1015038938.db2.gz FITVPASPXJMSAG-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM C[C@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC001599901894 984849353 /nfs/dbraw/zinc/84/93/53/984849353.db2.gz ULMHAGNTCHNVTB-JTQLQIEISA-N -1 1 329.787 3.765 20 0 EHADMM Cc1[nH]c(C(=O)CN(CC2CCCCC2)C2CC2)c(C)c1C(=O)[O-] ZINC001599945510 985520776 /nfs/dbraw/zinc/52/07/76/985520776.db2.gz VMFJNGGEMKLSPH-UHFFFAOYSA-N -1 1 332.444 3.557 20 0 EHADMM Cc1[nH]c(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cc1C(=O)[O-] ZINC001599964817 985882355 /nfs/dbraw/zinc/88/23/55/985882355.db2.gz WRAWGGONIXJHKU-MRXNPFEDSA-N -1 1 326.396 3.557 20 0 EHADMM CC(C)(C)[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001589720832 987885091 /nfs/dbraw/zinc/88/50/91/987885091.db2.gz TYDFKVLUPMEIES-INIZCTEOSA-N -1 1 334.366 3.935 20 0 EHADMM CCc1ccc(N2CCN([C@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)cc1 ZINC001597535111 988201981 /nfs/dbraw/zinc/20/19/81/988201981.db2.gz DTYJMCHIUMDKAY-OAHLLOKOSA-N -1 1 342.439 3.732 20 0 EHADMM CCc1oc(CN(CCOC)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC001597796134 989351088 /nfs/dbraw/zinc/35/10/88/989351088.db2.gz JAXWGMCAVNSMRE-CQSZACIVSA-N -1 1 331.412 3.750 20 0 EHADMM CCn1cc([C@@H](C)N[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC001597882543 989713384 /nfs/dbraw/zinc/71/33/84/989713384.db2.gz QBLJRGICYIUVGY-OTYXRUKQSA-N -1 1 342.226 3.686 20 0 EHADMM CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)Cc1cccc(O)c1 ZINC001598526435 992725864 /nfs/dbraw/zinc/72/58/64/992725864.db2.gz FMZKNQYPLNOGBT-UHFFFAOYSA-N -1 1 337.375 3.982 20 0 EHADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1ncoc1C1CC1 ZINC000339848422 1015749821 /nfs/dbraw/zinc/74/98/21/1015749821.db2.gz SXDJXRVGLFMWNV-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cnn(CC2CCC2)c1 ZINC000890672743 1015768306 /nfs/dbraw/zinc/76/83/06/1015768306.db2.gz ZEMMXDKRAOEWDX-NSHDSACASA-N -1 1 333.819 3.533 20 0 EHADMM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cncc([O-])c1 ZINC000339882985 1015812679 /nfs/dbraw/zinc/81/26/79/1015812679.db2.gz YRMHAKXPVPFSNG-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000339891823 1015837960 /nfs/dbraw/zinc/83/79/60/1015837960.db2.gz JTVREKQHBFNHTQ-UHFFFAOYSA-N -1 1 332.403 3.960 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1cc(C(=O)[O-])c(C)n1C)[C@@H]2C ZINC001599627355 994168461 /nfs/dbraw/zinc/16/84/61/994168461.db2.gz WDAZUQIABOQZHF-GXTWGEPZSA-N -1 1 342.439 3.548 20 0 EHADMM C[C@H](NC1(Cc2cccc(Cl)c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593209814 994240556 /nfs/dbraw/zinc/24/05/56/994240556.db2.gz LEWSREVJJXUFRN-JTQLQIEISA-N -1 1 336.844 3.921 20 0 EHADMM COc1cccc([C@@H](C(=O)[O-])N2CCc3cc(Cl)ccc3C2)c1 ZINC001599649716 994478551 /nfs/dbraw/zinc/47/85/51/994478551.db2.gz IHHSCTFFHYMGQJ-KRWDZBQOSA-N -1 1 331.799 3.533 20 0 EHADMM COc1cccc([C@@H](C)N[C@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001599657542 994606065 /nfs/dbraw/zinc/60/60/65/994606065.db2.gz NJKSKDIWOIUODB-ZIAGYGMSSA-N -1 1 329.396 3.570 20 0 EHADMM C[C@@H](NCCSc1ccc(F)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593273776 994620970 /nfs/dbraw/zinc/62/09/70/994620970.db2.gz YQKRLCNSIKQBKR-MRVPVSSYSA-N -1 1 344.408 3.562 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1C ZINC000180218869 1015883124 /nfs/dbraw/zinc/88/31/24/1015883124.db2.gz HPFGPQGZCDICQV-UHFFFAOYSA-N -1 1 343.404 3.663 20 0 EHADMM C[C@H](NCc1cccc(OC(C)(C)C)n1)c1cc(C(=O)[O-])cs1 ZINC001593305366 994762457 /nfs/dbraw/zinc/76/24/57/994762457.db2.gz YOPPKSPDIYGEMB-NSHDSACASA-N -1 1 334.441 3.869 20 0 EHADMM C[C@@H](NCc1ccccc1OC1CCC1)c1cncc(C(=O)[O-])c1 ZINC001593305638 994765806 /nfs/dbraw/zinc/76/58/06/994765806.db2.gz ZDXYVPNVBFRXDS-CYBMUJFWSA-N -1 1 326.396 3.562 20 0 EHADMM COc1ccc([C@H](C)NCc2ccccc2CC(=O)[O-])c(Cl)c1 ZINC001599507835 997242760 /nfs/dbraw/zinc/24/27/60/997242760.db2.gz BUIKEBWRWQYNDJ-LBPRGKRZSA-N -1 1 333.815 3.827 20 0 EHADMM COc1ccc([C@@H](C)NCc2ccccc2O[C@@H](C)C(=O)[O-])cc1F ZINC001599507815 997243335 /nfs/dbraw/zinc/24/33/35/997243335.db2.gz BFJCMAALECHDGR-OLZOCXBDSA-N -1 1 347.386 3.537 20 0 EHADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cn1c(-c2ccccc2)csc1=S ZINC001594168272 998650268 /nfs/dbraw/zinc/65/02/68/998650268.db2.gz VLFWHVXACZKCFZ-WCQYABFASA-N -1 1 334.466 3.699 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000177613808 1016398554 /nfs/dbraw/zinc/39/85/54/1016398554.db2.gz CGXAQTQUKJWDGW-SJLPKXTDSA-N -1 1 337.419 3.909 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC000178757815 1016764085 /nfs/dbraw/zinc/76/40/85/1016764085.db2.gz FMGRXEJUEVBLML-UHFFFAOYSA-N -1 1 342.420 3.572 20 0 EHADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000179463280 1016872354 /nfs/dbraw/zinc/87/23/54/1016872354.db2.gz MTJVXHQSUNOOSV-CMPLNLGQSA-N -1 1 326.234 3.805 20 0 EHADMM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)n1 ZINC000340327175 1016951147 /nfs/dbraw/zinc/95/11/47/1016951147.db2.gz CFDSWOOITMVIRM-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM Cc1ccc(Cc2nnc(NC(=O)c3ccc([O-])cc3F)s2)cc1 ZINC000181962066 1017038405 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C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000151883155 1032449076 /nfs/dbraw/zinc/44/90/76/1032449076.db2.gz DYFAZUBQBQJZPE-PIGZYNQJSA-N -1 1 331.799 3.510 20 0 EHADMM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)Oc1ccccc1Cl ZINC000537229809 1032570028 /nfs/dbraw/zinc/57/00/28/1032570028.db2.gz HIKCOGFVWAHDIT-SECBINFHSA-N -1 1 341.741 3.521 20 0 EHADMM CC[C@@H](C(=O)NNC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000060622096 1032587338 /nfs/dbraw/zinc/58/73/38/1032587338.db2.gz OYPSMRJCDVZWSB-QGZVFWFLSA-N -1 1 348.402 3.500 20 0 EHADMM CC(C)n1cc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)cn1 ZINC000669949075 1032661901 /nfs/dbraw/zinc/66/19/01/1032661901.db2.gz JPJRFLMFXZDFPJ-UHFFFAOYSA-N -1 1 330.775 3.624 20 0 EHADMM CCn1c(CC2CC2)n[n-]c1=N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000460188412 1032674306 /nfs/dbraw/zinc/67/43/06/1032674306.db2.gz MDDRSNRWQQGWOF-PXAZEXFGSA-N -1 1 348.878 3.514 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC000655282737 1017751191 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CCC(CC)NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000046554905 1018713396 /nfs/dbraw/zinc/71/33/96/1018713396.db2.gz JFGVGIKAXIRLTN-UHFFFAOYSA-N -1 1 332.473 3.611 20 0 EHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1 ZINC000614357643 1018846816 /nfs/dbraw/zinc/84/68/16/1018846816.db2.gz MPGXICLPEMCBFR-UHFFFAOYSA-N -1 1 329.425 3.661 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](NCc2ncccc2C(F)(F)F)c2ccccc21 ZINC000669478910 1032811488 /nfs/dbraw/zinc/81/14/88/1032811488.db2.gz DZMHLDUEYZWNPD-OCCSQVGLSA-N -1 1 336.313 3.503 20 0 EHADMM O=[P@]([O-])(O)C1(Nc2cc(Cl)ccc2F)Cc2ccccc2C1 ZINC001167935950 1019210632 /nfs/dbraw/zinc/21/06/32/1019210632.db2.gz USUBMPBSJZNZTM-UHFFFAOYSA-N -1 1 341.706 3.564 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(Oc2ccccc2F)CC1 ZINC000634696462 1019287774 /nfs/dbraw/zinc/28/77/74/1019287774.db2.gz YRQAUBNVWQJPRB-GFCCVEGCSA-N -1 1 333.359 3.721 20 0 EHADMM COC[C@@H](CC(C)(C)C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000656220927 1019385775 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CCc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1 ZINC000574265212 1032868765 /nfs/dbraw/zinc/86/87/65/1032868765.db2.gz NKOVGSMPEIHNOO-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM COC(=O)c1ccc(OC(F)F)c(-c2cc(F)c([O-])cc2F)c1 ZINC001211339774 1020036894 /nfs/dbraw/zinc/03/68/94/1020036894.db2.gz PJODKUJJAWPRQZ-UHFFFAOYSA-N -1 1 330.233 3.725 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1ccc2n[nH]nc2c1 ZINC001167439972 1020297379 /nfs/dbraw/zinc/29/73/79/1020297379.db2.gz ODUWPRCXJMRXHP-UHFFFAOYSA-N -1 1 338.754 3.722 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CC(C)(C)CC(C)(C)C3)cnc2n1 ZINC000345557482 1020358226 /nfs/dbraw/zinc/35/82/26/1020358226.db2.gz GCPAFCXNBIYGNQ-UHFFFAOYSA-N -1 1 327.428 3.542 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(C)(C)CC(C)(C)C1)c2=O ZINC000345557482 1020358240 /nfs/dbraw/zinc/35/82/40/1020358240.db2.gz GCPAFCXNBIYGNQ-UHFFFAOYSA-N -1 1 327.428 3.542 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cc(F)c[nH]c1=O ZINC001167445151 1020404395 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O=C(Nc1cccc(N2CCC2=O)c1)c1cc2ccccc2cc1[O-] ZINC000436811121 1021255422 /nfs/dbraw/zinc/25/54/22/1021255422.db2.gz ZMYGISGWHAUTMV-UHFFFAOYSA-N -1 1 332.359 3.534 20 0 EHADMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000436812773 1021258569 /nfs/dbraw/zinc/25/85/69/1021258569.db2.gz CHRMHNHAOMFDQQ-QWHCGFSZSA-N -1 1 345.361 3.735 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])Cc2ccccc2O1 ZINC000436815839 1021260747 /nfs/dbraw/zinc/26/07/47/1021260747.db2.gz MFIBZXWWBAJCCQ-CQSZACIVSA-N -1 1 333.387 3.969 20 0 EHADMM O=C1[N-]C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)S1 ZINC000007154970 1021284373 /nfs/dbraw/zinc/28/43/73/1021284373.db2.gz XPDWOCTZCZMPGT-KPKJPENVSA-N -1 1 328.374 3.880 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)cc1F ZINC000656763054 1021287979 /nfs/dbraw/zinc/28/79/79/1021287979.db2.gz KROIGLMTSGLLJM-CQSZACIVSA-N -1 1 335.400 3.931 20 0 EHADMM O=C(Nc1ccc(Cl)cc1OCC(F)F)c1ccc(O)cc1[O-] ZINC000436849871 1021294286 /nfs/dbraw/zinc/29/42/86/1021294286.db2.gz 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1021319777 /nfs/dbraw/zinc/31/97/77/1021319777.db2.gz RKGBKWHPHIUPJX-TWGQIWQCSA-N -1 1 348.337 3.937 20 0 EHADMM Cn1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(-c2cccs2)n1 ZINC000436877284 1021320746 /nfs/dbraw/zinc/32/07/46/1021320746.db2.gz FSLCAHWOHBFMMS-UHFFFAOYSA-N -1 1 342.355 3.710 20 0 EHADMM CCc1ccc([C@H](NC(=O)C(=O)c2ccc([O-])cc2)C(C)C)cc1 ZINC000436886999 1021337844 /nfs/dbraw/zinc/33/78/44/1021337844.db2.gz IJEUAPXNFHPRKG-GOSISDBHSA-N -1 1 325.408 3.651 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1Cl ZINC000507569529 1021353287 /nfs/dbraw/zinc/35/32/87/1021353287.db2.gz WPDLVMOPAGGUDD-UHFFFAOYSA-N -1 1 339.844 3.850 20 0 EHADMM Cc1ccc(F)c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000436912251 1021355208 /nfs/dbraw/zinc/35/52/08/1021355208.db2.gz HJFYAHQAYAUIBU-UHFFFAOYSA-N -1 1 346.749 3.531 20 0 EHADMM Cc1ccc(F)c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c1 ZINC000436912251 1021355227 /nfs/dbraw/zinc/35/52/27/1021355227.db2.gz HJFYAHQAYAUIBU-UHFFFAOYSA-N -1 1 346.749 3.531 20 0 EHADMM O=C(C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc([O-])cc1 ZINC000436901456 1021366753 /nfs/dbraw/zinc/36/67/53/1021366753.db2.gz MVGPKZBDWYBKTP-MRXNPFEDSA-N -1 1 329.783 3.592 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000107457719 1032976632 /nfs/dbraw/zinc/97/66/32/1032976632.db2.gz RXUKARLASLKIJG-UHFFFAOYSA-N -1 1 347.436 3.904 20 0 EHADMM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([O-])cc1F ZINC000436942245 1021404242 /nfs/dbraw/zinc/40/42/42/1021404242.db2.gz UPQQQICPRCEITC-LBPRGKRZSA-N -1 1 341.304 3.682 20 0 EHADMM O=C(NCc1ccc(OCC2CC2)nc1)c1ccc2ccccc2c1[O-] ZINC000436968163 1021414879 /nfs/dbraw/zinc/41/48/79/1021414879.db2.gz YXMIFYDBXBJMQZ-UHFFFAOYSA-N -1 1 348.402 3.659 20 0 EHADMM O=C(N[C@@H](c1nccs1)c1ccccc1)c1c([O-])cccc1F ZINC000436977248 1021431450 /nfs/dbraw/zinc/43/14/50/1021431450.db2.gz FCZJHLHTTHVELT-OAHLLOKOSA-N -1 1 328.368 3.507 20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000032599952 1021433921 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C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc([O-])c(F)c1F ZINC000562955912 1022977544 /nfs/dbraw/zinc/97/75/44/1022977544.db2.gz UIKPUXLIAADFOY-JTQLQIEISA-N -1 1 333.334 3.565 20 0 EHADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000438793580 1023010594 /nfs/dbraw/zinc/01/05/94/1023010594.db2.gz LBDONBYFNYZLAE-UHFFFAOYSA-N -1 1 337.828 3.980 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(-c3ccccn3)c2)o1 ZINC000426763773 1023017112 /nfs/dbraw/zinc/01/71/12/1023017112.db2.gz DHSNARXPQGVAKW-GOSISDBHSA-N -1 1 336.391 3.956 20 0 EHADMM Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426759310 1023029499 /nfs/dbraw/zinc/02/94/99/1023029499.db2.gz MDDKHOQLXQVUAI-OAHLLOKOSA-N -1 1 325.742 3.842 20 0 EHADMM Cc1cc([C@@H](NCc2cc(F)ccc2F)C(=O)[O-])ccc1Cl ZINC000426779397 1023041406 /nfs/dbraw/zinc/04/14/06/1023041406.db2.gz HGRFVZKNBZGYBX-OAHLLOKOSA-N -1 1 325.742 3.842 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC(F)(F)F)cc2)o1 ZINC000426769088 1023044480 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O=C([O-])Cc1ccccc1CNCc1ccc(CSC(F)F)o1 ZINC000276990015 1023670683 /nfs/dbraw/zinc/67/06/83/1023670683.db2.gz JPCGNTJOWLULOB-UHFFFAOYSA-N -1 1 341.379 3.652 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c(C)c1 ZINC000427192768 1023844688 /nfs/dbraw/zinc/84/46/88/1023844688.db2.gz OLVZUXLRKFHJMA-UHFFFAOYSA-N -1 1 348.449 3.723 20 0 EHADMM CCOCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000522597342 1024100553 /nfs/dbraw/zinc/10/05/53/1024100553.db2.gz AOCDBUCEDAPLIF-UHFFFAOYSA-N -1 1 339.844 3.986 20 0 EHADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000443914249 1024117706 /nfs/dbraw/zinc/11/77/06/1024117706.db2.gz FXZSBIHGZDMGHQ-SSDOTTSWSA-N -1 1 330.331 3.910 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-][C@H]([C@@H](C)CC)C(F)(F)F)s1 ZINC000443943888 1024140952 /nfs/dbraw/zinc/14/09/52/1024140952.db2.gz SLLQQDWHOFPWNL-GZMMTYOYSA-N -1 1 329.409 3.566 20 0 EHADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)cc1C(=O)N(C)C(C)C ZINC000192547368 1024185746 /nfs/dbraw/zinc/18/57/46/1024185746.db2.gz FREDMBVEPNSSGD-UHFFFAOYSA-N -1 1 344.386 3.572 20 0 EHADMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)on1 ZINC000684657918 1024345017 /nfs/dbraw/zinc/34/50/17/1024345017.db2.gz QXMUZSPRRSCLAB-UHFFFAOYSA-N -1 1 349.239 3.583 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)c(F)c1 ZINC000425181597 1024405432 /nfs/dbraw/zinc/40/54/32/1024405432.db2.gz YBJAVJFZZNPUGS-SECBINFHSA-N -1 1 345.333 3.673 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(CCC(C)C)CC1 ZINC000760047000 1024467279 /nfs/dbraw/zinc/46/72/79/1024467279.db2.gz FHPSEVBGMIHNJR-UHFFFAOYSA-N -1 1 333.476 3.902 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CCCc2ccccc21 ZINC000011639401 1024493516 /nfs/dbraw/zinc/49/35/16/1024493516.db2.gz IYWJRFJYFWEMAN-UHFFFAOYSA-N -1 1 332.197 3.748 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc([C@@H]2CCOC2)c1 ZINC000342255122 1024578969 /nfs/dbraw/zinc/57/89/69/1024578969.db2.gz VHRJPLVWMMKULY-MRXNPFEDSA-N -1 1 349.390 3.539 20 0 EHADMM Cc1ccc(C(=O)CCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)s1 ZINC000342272900 1024679788 /nfs/dbraw/zinc/67/97/88/1024679788.db2.gz UACYHLRKYDCQFD-UHFFFAOYSA-N -1 1 345.449 3.532 20 0 EHADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000330323535 1024780167 /nfs/dbraw/zinc/78/01/67/1024780167.db2.gz SYIJBLWQBXTULD-RCCFBDPRSA-N -1 1 336.435 3.894 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000346485689 1024794837 /nfs/dbraw/zinc/79/48/37/1024794837.db2.gz PNAAQLRTSSJBHR-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CC(C)[C@H]([N-]S(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000508205375 1024962786 /nfs/dbraw/zinc/96/27/86/1024962786.db2.gz DQRPLABVDONJPL-LBPRGKRZSA-N -1 1 337.388 3.767 20 0 EHADMM CN(CCCOc1ccc(F)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000097261576 1025049984 /nfs/dbraw/zinc/04/99/84/1025049984.db2.gz NGISFMHZCYGHCO-UHFFFAOYSA-N -1 1 337.778 3.726 20 0 EHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000515630337 1025423554 /nfs/dbraw/zinc/42/35/54/1025423554.db2.gz YWRRVGUJPQBHSQ-CYBMUJFWSA-N -1 1 341.436 3.944 20 0 EHADMM COc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)cc(Cl)c1[O-] ZINC000442850607 1025521184 /nfs/dbraw/zinc/52/11/84/1025521184.db2.gz JDDQIOUTGUVMIL-MRVPVSSYSA-N -1 1 341.741 3.823 20 0 EHADMM C[C@@H]1C[C@@H](C)CN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000563276718 1025528190 /nfs/dbraw/zinc/52/81/90/1025528190.db2.gz CEYQAVLLEGCRLL-RULNRJAQSA-N -1 1 344.224 3.692 20 0 EHADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2O1 ZINC000442843158 1025529380 /nfs/dbraw/zinc/52/93/80/1025529380.db2.gz JHLLSXHAGSWMOG-INIZCTEOSA-N -1 1 337.372 3.524 20 0 EHADMM CCCN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@@H]1CCCCO1 ZINC000563277217 1025543350 /nfs/dbraw/zinc/54/33/50/1025543350.db2.gz KXWMNRJRNRAYFK-HNNXBMFYSA-N -1 1 325.836 3.819 20 0 EHADMM CCC(CC)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000515783342 1025596732 /nfs/dbraw/zinc/59/67/32/1025596732.db2.gz AADYWYZZKAITDH-SFHVURJKSA-N -1 1 349.434 3.830 20 0 EHADMM COc1cc(C(=O)N2CCc3ccccc3[C@@H]2C)cc(Cl)c1[O-] ZINC000442968328 1025628034 /nfs/dbraw/zinc/62/80/34/1025628034.db2.gz PVJSTDPULVVWHU-NSHDSACASA-N -1 1 331.799 3.814 20 0 EHADMM COc1ccc(CN(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1C ZINC000442967068 1025628774 /nfs/dbraw/zinc/62/87/74/1025628774.db2.gz TWKZERARDHDQBI-UHFFFAOYSA-N -1 1 349.814 3.643 20 0 EHADMM COc1cc(C(=O)N2CCC[C@H](C(C)C)CC2)cc(Cl)c1[O-] ZINC000442980542 1025643826 /nfs/dbraw/zinc/64/38/26/1025643826.db2.gz HYGJHJBFCYGXSC-LBPRGKRZSA-N -1 1 325.836 3.953 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c(C)c1 ZINC000530352005 1025685406 /nfs/dbraw/zinc/68/54/06/1025685406.db2.gz JGINUDYZWRMCGH-UHFFFAOYSA-N -1 1 344.436 3.605 20 0 EHADMM COc1cccc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)c1 ZINC000443083268 1025713648 /nfs/dbraw/zinc/71/36/48/1025713648.db2.gz CCVWYQJZTHVZQS-UHFFFAOYSA-N -1 1 332.743 3.780 20 0 EHADMM C[C@H]1CCCC[C@H]1OCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000522831115 1025732281 /nfs/dbraw/zinc/73/22/81/1025732281.db2.gz JEWNBNOCBYCUEY-VHSXEESVSA-N -1 1 336.379 3.888 20 0 EHADMM C[C@H]1CCCC[C@@H]1OCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000522831114 1025732850 /nfs/dbraw/zinc/73/28/50/1025732850.db2.gz JEWNBNOCBYCUEY-UWVGGRQHSA-N -1 1 336.379 3.888 20 0 EHADMM CCCCc1ccc([C@H](NC(=O)c2cnn[nH]2)c2cccs2)cc1 ZINC000515970094 1025808558 /nfs/dbraw/zinc/80/85/58/1025808558.db2.gz AJSBGDXRGPJXJJ-KRWDZBQOSA-N -1 1 340.452 3.728 20 0 EHADMM [O-]c1ccc(-c2noc(COc3ccc(Cl)c(F)c3)n2)c(F)c1 ZINC000436521443 1025823779 /nfs/dbraw/zinc/82/37/79/1025823779.db2.gz MTDGGXMIXUQLKK-UHFFFAOYSA-N -1 1 338.697 3.953 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000436516236 1025844308 /nfs/dbraw/zinc/84/43/08/1025844308.db2.gz VGHPBLPXYGXWCW-UHFFFAOYSA-N -1 1 335.359 3.513 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(COc2ccc(Cl)c(F)c2)no1 ZINC000436562069 1025891004 /nfs/dbraw/zinc/89/10/04/1025891004.db2.gz JHHSOEAPSBHBRF-UHFFFAOYSA-N -1 1 338.697 3.953 20 0 EHADMM O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000436592572 1025908104 /nfs/dbraw/zinc/90/81/04/1025908104.db2.gz WNGSLCFUHMUGIV-DYVFJYSZSA-N -1 1 331.799 3.553 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC(OCCCc2ccccc2)C1 ZINC000436578091 1025919070 /nfs/dbraw/zinc/91/90/70/1025919070.db2.gz WDDSIWXEQTXCML-UHFFFAOYSA-N -1 1 345.826 3.519 20 0 EHADMM Cc1cccc([C@H](NC(=O)c2cc(F)ccc2[O-])c2ccccn2)c1 ZINC000436618138 1025929967 /nfs/dbraw/zinc/92/99/67/1025929967.db2.gz MSDFGXXDUFAFFR-IBGZPJMESA-N -1 1 336.366 3.754 20 0 EHADMM CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436600307 1025933487 /nfs/dbraw/zinc/93/34/87/1025933487.db2.gz GFCMNVYWTYPBNU-LLVKDONJSA-N -1 1 341.835 3.628 20 0 EHADMM COc1ccc(C[C@@H]2CCCCN2C(=O)c2ccc([O-])cc2F)cc1 ZINC000652850679 1025936037 /nfs/dbraw/zinc/93/60/37/1025936037.db2.gz JFGDSGZAIDENOQ-HNNXBMFYSA-N -1 1 343.398 3.777 20 0 EHADMM Cc1nc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)cc(C2CC2)n1 ZINC000588514646 1025938149 /nfs/dbraw/zinc/93/81/49/1025938149.db2.gz CYPCYCFYHUKBAX-FPLPWBNLSA-N -1 1 349.843 3.728 20 0 EHADMM CCOc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1OCC ZINC000436605284 1025938971 /nfs/dbraw/zinc/93/89/71/1025938971.db2.gz LCPVBRLUCNPMAQ-GFCCVEGCSA-N -1 1 347.386 3.820 20 0 EHADMM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)c1ccc([O-])cc1 ZINC000436655664 1025984759 /nfs/dbraw/zinc/98/47/59/1025984759.db2.gz DPNUMYQLNIDFRD-UHFFFAOYSA-N -1 1 329.355 3.785 20 0 EHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccc1OC(F)F ZINC000516115966 1026003152 /nfs/dbraw/zinc/00/31/52/1026003152.db2.gz ANXORGQINPPGPY-MRVPVSSYSA-N -1 1 343.276 3.763 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000443405003 1026004043 /nfs/dbraw/zinc/00/40/43/1026004043.db2.gz HYCSVLYMDFNBIQ-UHFFFAOYSA-N -1 1 349.452 3.811 20 0 EHADMM O=C(C(=O)N(C1CC1)[C@H]1CCCc2ccccc21)c1ccc([O-])cc1 ZINC000436668878 1026008066 /nfs/dbraw/zinc/00/80/66/1026008066.db2.gz ZTSSBKCGNXRLEO-IBGZPJMESA-N -1 1 335.403 3.644 20 0 EHADMM O=C(C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)c1ccc([O-])cc1 ZINC000436668879 1026009794 /nfs/dbraw/zinc/00/97/94/1026009794.db2.gz ZTSSBKCGNXRLEO-LJQANCHMSA-N -1 1 335.403 3.644 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2o1 ZINC000516109334 1026019192 /nfs/dbraw/zinc/01/91/92/1026019192.db2.gz BFOQHISQXUCUAK-UHFFFAOYSA-N -1 1 338.335 3.875 20 0 EHADMM CCc1ccc([C@@H]2CCCN(C(=O)C(=O)c3ccc([O-])cc3)C2)cc1 ZINC000436684849 1026038876 /nfs/dbraw/zinc/03/88/76/1026038876.db2.gz HQODOZKMUHHBPZ-GOSISDBHSA-N -1 1 337.419 3.544 20 0 EHADMM Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)c2ccc([O-])cc2)o1 ZINC000436697681 1026057310 /nfs/dbraw/zinc/05/73/10/1026057310.db2.gz KEYNKURTRQWMDT-MRXNPFEDSA-N -1 1 327.380 3.620 20 0 EHADMM Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)o2)c(C(=O)[O-])c1 ZINC000909504629 1026089689 /nfs/dbraw/zinc/08/96/89/1026089689.db2.gz BQIZLIIAUIYFRR-UHFFFAOYSA-N -1 1 342.395 3.524 20 0 EHADMM CCc1ccc(CN(C)C(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436734327 1026098180 /nfs/dbraw/zinc/09/81/80/1026098180.db2.gz CPMGIBANRMNDSS-UHFFFAOYSA-N -1 1 348.240 3.989 20 0 EHADMM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C(C)C)cc2O)n[nH]1 ZINC000436729344 1026120240 /nfs/dbraw/zinc/12/02/40/1026120240.db2.gz ARMNSIOYKPMWCN-NEPJUHHUSA-N -1 1 330.432 3.638 20 0 EHADMM CN(Cc1ccc(F)cc1F)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762445 1026132069 /nfs/dbraw/zinc/13/20/69/1026132069.db2.gz DSULGOQVHGPZSO-UHFFFAOYSA-N -1 1 345.267 3.961 20 0 EHADMM O=C(Nc1ccccc1N1CCCCCC1)C(=O)c1ccc([O-])cc1 ZINC000436763129 1026132358 /nfs/dbraw/zinc/13/23/58/1026132358.db2.gz FCPWGJOYOGVITJ-UHFFFAOYSA-N -1 1 338.407 3.594 20 0 EHADMM Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764131 1026132459 /nfs/dbraw/zinc/13/24/59/1026132459.db2.gz PDTNSONTISSECP-UHFFFAOYSA-N -1 1 335.285 3.848 20 0 EHADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])on1 ZINC000436762511 1026132482 /nfs/dbraw/zinc/13/24/82/1026132482.db2.gz FVAUHLXAAXPRRU-GFCCVEGCSA-N -1 1 340.301 3.685 20 0 EHADMM COc1cc(F)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762146 1026133698 /nfs/dbraw/zinc/13/36/98/1026133698.db2.gz BYLVIRCYDFEKRN-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436746854 1026135010 /nfs/dbraw/zinc/13/50/10/1026135010.db2.gz HVRXDYGLDWWEEP-APPDUMDISA-N -1 1 349.814 3.560 20 0 EHADMM CCN(Cc1cccs1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436747895 1026136279 /nfs/dbraw/zinc/13/62/79/1026136279.db2.gz COADSUWAPHESDU-UHFFFAOYSA-N -1 1 325.817 3.778 20 0 EHADMM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436747237 1026136298 /nfs/dbraw/zinc/13/62/98/1026136298.db2.gz LVXNFKAYGMGBRS-LBPRGKRZSA-N -1 1 348.805 3.536 20 0 EHADMM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000530771833 1026283244 /nfs/dbraw/zinc/28/32/44/1026283244.db2.gz MZVWCGLHKMZRPG-AWEZNQCLSA-N -1 1 329.421 3.823 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2sc3cccc(F)c3c2C)n1 ZINC000339175027 1026400326 /nfs/dbraw/zinc/40/03/26/1026400326.db2.gz VHZICKNKISHBSO-UHFFFAOYSA-N -1 1 347.371 3.501 20 0 EHADMM CCS[C@H]1CCC[C@@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301696142 1026906108 /nfs/dbraw/zinc/90/61/08/1026906108.db2.gz BENRNCXKEAGITF-GJZGRUSLSA-N -1 1 344.484 3.947 20 0 EHADMM C[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)Sc1ccccc1 ZINC000531487049 1026981869 /nfs/dbraw/zinc/98/18/69/1026981869.db2.gz WFLOFFVMSSAWJL-CYBMUJFWSA-N -1 1 347.461 3.892 20 0 EHADMM Cc1nsc([N-]c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000301993877 1027018193 /nfs/dbraw/zinc/01/81/93/1027018193.db2.gz ZNNZSYMXJJMZQA-UHFFFAOYSA-N -1 1 325.319 3.795 20 0 EHADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1=CCCC1 ZINC000123403941 1027292162 /nfs/dbraw/zinc/29/21/62/1027292162.db2.gz TXBVHYZYAGIUAX-UHFFFAOYSA-N -1 1 342.420 3.536 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c(F)c1 ZINC000614737977 1027295368 /nfs/dbraw/zinc/29/53/68/1027295368.db2.gz YXLJBSJZJVEBNG-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000342850105 1027651131 /nfs/dbraw/zinc/65/11/31/1027651131.db2.gz ZETOOLZABBGWLW-SNVBAGLBSA-N -1 1 344.362 3.579 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nc(C)cs1 ZINC000131623948 1027802698 /nfs/dbraw/zinc/80/26/98/1027802698.db2.gz FHHVIZNBLPJLPW-NSHDSACASA-N -1 1 348.852 3.674 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000134348978 1028114329 /nfs/dbraw/zinc/11/43/29/1028114329.db2.gz PQHRXVWHDJWENM-QGZVFWFLSA-N -1 1 339.416 3.821 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)CCCC(F)(F)F)[nH][n-]2)c1 ZINC000444782805 1028244249 /nfs/dbraw/zinc/24/42/49/1028244249.db2.gz RCQSYXICERWNIJ-UHFFFAOYSA-N -1 1 329.297 3.617 20 0 EHADMM O=S(=O)([N-]CCCc1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000504010231 1028303434 /nfs/dbraw/zinc/30/34/34/1028303434.db2.gz MPVAIIGUBXULDQ-UHFFFAOYSA-N -1 1 345.798 3.529 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(O)cc(OC)c2)cc1 ZINC000504044838 1028346512 /nfs/dbraw/zinc/34/65/12/1028346512.db2.gz VAFPKAXFRYIXHX-LBPRGKRZSA-N -1 1 335.425 3.715 20 0 EHADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000067033312 1028351961 /nfs/dbraw/zinc/35/19/61/1028351961.db2.gz WOKMFZYIMXIZHP-INIZCTEOSA-N -1 1 347.418 3.745 20 0 EHADMM COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])o1 ZINC000162026541 1028409333 /nfs/dbraw/zinc/40/93/33/1028409333.db2.gz FHTKYLAAMCUVNA-AWEZNQCLSA-N -1 1 335.787 3.762 20 0 EHADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343019201 1028663000 /nfs/dbraw/zinc/66/30/00/1028663000.db2.gz YPYPYYVVGYDDSL-LBPRGKRZSA-N -1 1 329.400 3.506 20 0 EHADMM Cc1cccc([C@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)c1C ZINC000075486237 1028681993 /nfs/dbraw/zinc/68/19/93/1028681993.db2.gz HGNDFWSFTMSXSQ-GOSISDBHSA-N -1 1 347.418 3.930 20 0 EHADMM O=S(=O)([N-]CC[C@H]1CCc2ccccc21)c1sccc1Cl ZINC001212020931 1028725877 /nfs/dbraw/zinc/72/58/77/1028725877.db2.gz DTLVVSQBZZQPMW-GFCCVEGCSA-N -1 1 341.885 3.800 20 0 EHADMM COc1cc(-c2noc([C@@H](C)C3CC3)n2)cc(Br)c1[O-] ZINC000445395203 1028760644 /nfs/dbraw/zinc/76/06/44/1028760644.db2.gz WNTZXFXEKKDQMX-ZETCQYMHSA-N -1 1 339.189 3.727 20 0 EHADMM CCOc1cc(-c2noc(-c3coc(CC)n3)n2)cc(Cl)c1[O-] ZINC000445423213 1028770702 /nfs/dbraw/zinc/77/07/02/1028770702.db2.gz USTIBWXCSPZUFX-UHFFFAOYSA-N -1 1 335.747 3.712 20 0 EHADMM CCCc1[nH]ccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000421800686 1028788663 /nfs/dbraw/zinc/78/86/63/1028788663.db2.gz IJYWGWSPCRQOEI-UHFFFAOYSA-N -1 1 337.217 3.996 20 0 EHADMM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000424087674 1028793087 /nfs/dbraw/zinc/79/30/87/1028793087.db2.gz RURICFAXMMREFB-UHFFFAOYSA-N -1 1 339.844 3.904 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)c(F)c1 ZINC000445460013 1028830897 /nfs/dbraw/zinc/83/08/97/1028830897.db2.gz LOJLSPSJBOFUPR-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM Cc1ccc(-c2cc(-c3nc(-c4ccc([O-])cc4F)no3)n[nH]2)o1 ZINC000445461346 1028831178 /nfs/dbraw/zinc/83/11/78/1028831178.db2.gz GKKDKZUCLSFIMO-UHFFFAOYSA-N -1 1 326.287 3.540 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc(-n4ccnc4)cc3)n2)cc1F ZINC000445479705 1028837360 /nfs/dbraw/zinc/83/73/60/1028837360.db2.gz KFWQEUUAKKYOGU-FPYGCLRLSA-N -1 1 348.337 3.937 20 0 EHADMM Cc1nc(C(F)(F)F)ccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478441 1028838632 /nfs/dbraw/zinc/83/86/32/1028838632.db2.gz HCCSSQFLLPVCCH-UHFFFAOYSA-N -1 1 339.248 3.971 20 0 EHADMM COc1cc(C(=O)N(C)[C@H](C)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000153988624 1028954498 /nfs/dbraw/zinc/95/44/98/1028954498.db2.gz HQUZYCISAAVJKG-SNVBAGLBSA-N -1 1 335.787 3.593 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1F ZINC000614881470 1029023452 /nfs/dbraw/zinc/02/34/52/1029023452.db2.gz XTXLKKRVANNEKY-UHFFFAOYSA-N -1 1 341.379 3.699 20 0 EHADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000445695934 1029058997 /nfs/dbraw/zinc/05/89/97/1029058997.db2.gz AQMBDVUAMOEGCD-JTQLQIEISA-N -1 1 347.761 3.734 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)sc1Cl ZINC000231809878 1029678711 /nfs/dbraw/zinc/67/87/11/1029678711.db2.gz UNJCZXNAEJNDPA-UHFFFAOYSA-N -1 1 333.866 3.531 20 0 EHADMM CCN(CC)[C@@H](CNc1cccc(C(=O)[O-])n1)c1ccccc1Cl ZINC000263514891 1029707670 /nfs/dbraw/zinc/70/76/70/1029707670.db2.gz OJJTVTXHPWHBJQ-INIZCTEOSA-N -1 1 347.846 3.928 20 0 EHADMM CCn1nc(C)c(S(=O)(=O)[N-]c2c(Cl)ccc(C)c2C)c1C ZINC000446964836 1029868729 /nfs/dbraw/zinc/86/87/29/1029868729.db2.gz CWUQPZNVQFUXLE-UHFFFAOYSA-N -1 1 341.864 3.591 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000033713695 1029949326 /nfs/dbraw/zinc/94/93/26/1029949326.db2.gz YVCVJUQIZPLEPG-UHFFFAOYSA-N -1 1 331.315 3.694 20 0 EHADMM COC(=O)c1cc(Cl)c(Nc2cc(F)c([O-])c(F)c2)cc1OC ZINC001213388845 1030044045 /nfs/dbraw/zinc/04/40/45/1030044045.db2.gz PLONFSOTQTULJW-UHFFFAOYSA-N -1 1 343.713 3.863 20 0 EHADMM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccccc1[O-] ZINC000525773639 1030111323 /nfs/dbraw/zinc/11/13/23/1030111323.db2.gz UWZDEHPKUXFLBF-UHFFFAOYSA-N -1 1 327.771 3.543 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1C(F)(F)F ZINC000447795800 1030482251 /nfs/dbraw/zinc/48/22/51/1030482251.db2.gz RETXPOUDQDGJLV-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM COc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3[O-])cs2)cc1 ZINC000532267184 1030514385 /nfs/dbraw/zinc/51/43/85/1030514385.db2.gz IMYHVOGXHPNZFF-UHFFFAOYSA-N -1 1 344.367 3.916 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)OCCC(C)C)c1 ZINC000482551919 1030521771 /nfs/dbraw/zinc/52/17/71/1030521771.db2.gz KYFAQSQHTAHBMQ-NSHDSACASA-N -1 1 344.249 3.853 20 0 EHADMM O=S(=O)([N-]c1cc(F)ccc1Br)c1ccccc1F ZINC000130496800 1030770246 /nfs/dbraw/zinc/77/02/46/1030770246.db2.gz JZUGSGGJVZXXEN-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000343421024 1030794843 /nfs/dbraw/zinc/79/48/43/1030794843.db2.gz MEDAFEIZKUOWEL-QWHCGFSZSA-N -1 1 331.362 3.997 20 0 EHADMM COC(=O)c1[n-]c(=NCc2ccc(F)cc2)sc1-c1ccccc1 ZINC000460491258 1030879163 /nfs/dbraw/zinc/87/91/63/1030879163.db2.gz SDLXUPPGVBFLAJ-UHFFFAOYSA-N -1 1 342.395 3.770 20 0 EHADMM COCCSc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000123238537 1031027810 /nfs/dbraw/zinc/02/78/10/1031027810.db2.gz 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ZINC000607846845 1033355695 /nfs/dbraw/zinc/35/56/95/1033355695.db2.gz IKSQOPCUKMLDFG-SFHVURJKSA-N -1 1 349.386 3.808 20 0 EHADMM CC(C)(C)OC(=O)CCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000594546034 1033411162 /nfs/dbraw/zinc/41/11/62/1033411162.db2.gz UNARYZOJRWCVEN-UHFFFAOYSA-N -1 1 336.363 3.636 20 0 EHADMM COc1cccc(-c2nc(CN3C[C@@H](C(=O)[O-])CC[C@@H]3C)cs2)c1 ZINC000647367330 1033691121 /nfs/dbraw/zinc/69/11/21/1033691121.db2.gz NXELCFFJGWBKCW-JSGCOSHPSA-N -1 1 346.452 3.504 20 0 EHADMM COc1ccccc1-c1nnc([N-]C(=O)c2conc2C(C)C)s1 ZINC000529443767 1033987934 /nfs/dbraw/zinc/98/79/34/1033987934.db2.gz FSHMMPQIXUHOLH-UHFFFAOYSA-N -1 1 344.396 3.577 20 0 EHADMM Cc1cnc(CCN(C)C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000119884870 1034266296 /nfs/dbraw/zinc/26/62/96/1034266296.db2.gz IQQGUCNXDBEENI-UHFFFAOYSA-N -1 1 326.421 3.625 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000456343749 1034337362 /nfs/dbraw/zinc/33/73/62/1034337362.db2.gz PYIYWWYEGWGWDB-DZGCQCFKSA-N -1 1 333.476 3.541 20 0 EHADMM CC(C)CC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(C)(C)C ZINC000604423074 1034373129 /nfs/dbraw/zinc/37/31/29/1034373129.db2.gz GSCDEDIANWODGQ-HNNXBMFYSA-N -1 1 329.444 3.504 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCOCC12CCCCC2 ZINC000456529795 1034519469 /nfs/dbraw/zinc/51/94/69/1034519469.db2.gz XLLLFYVIIJJBQJ-UHFFFAOYSA-N -1 1 343.345 3.586 20 0 EHADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(F)c3)cc(Cl)c2O1 ZINC000605492078 1034769017 /nfs/dbraw/zinc/76/90/17/1034769017.db2.gz ARYIQPYIBFZONO-VIFPVBQESA-N -1 1 341.791 3.603 20 0 EHADMM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000530035546 1034888977 /nfs/dbraw/zinc/88/89/77/1034888977.db2.gz BKNIFKUZLMJLRB-QGZVFWFLSA-N -1 1 341.382 3.509 20 0 EHADMM Cc1cc(Br)c(CN(C)[C@H](C)CC(=O)[O-])cc1Cl ZINC000530166512 1035015912 /nfs/dbraw/zinc/01/59/12/1035015912.db2.gz PPQXNVJPLLLYJE-SECBINFHSA-N -1 1 334.641 3.706 20 0 EHADMM O=C([O-])c1cnc(CN2CCCCC[C@@H]2/C=C/c2cccs2)cn1 ZINC000530161272 1035031558 /nfs/dbraw/zinc/03/15/58/1035031558.db2.gz ADZXRSOMOHBOIK-MVGZEHJDSA-N -1 1 343.452 3.694 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C ZINC000413999863 1035342157 /nfs/dbraw/zinc/34/21/57/1035342157.db2.gz YYXIMGAGXFRTPM-STQMWFEESA-N -1 1 333.476 3.733 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(SC)s2)[n-]c1=O ZINC000414083613 1035463323 /nfs/dbraw/zinc/46/33/23/1035463323.db2.gz WKEWXVZMKUULTM-VQHVLOKHSA-N -1 1 336.438 3.703 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000534942082 1035817586 /nfs/dbraw/zinc/81/75/86/1035817586.db2.gz OBANCSMXQKJRRX-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000540959752 1035837125 /nfs/dbraw/zinc/83/71/25/1035837125.db2.gz WLPGZKNIOZCERT-LLVKDONJSA-N -1 1 331.799 3.940 20 0 EHADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000669951279 1035839208 /nfs/dbraw/zinc/83/92/08/1035839208.db2.gz HXRPBNLRAYJORA-MRVPVSSYSA-N -1 1 345.786 3.690 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2ncc(-c3ccc(Cl)cc3)o2)n1 ZINC000188092684 1035893685 /nfs/dbraw/zinc/89/36/85/1035893685.db2.gz CUAAJVFBTFYKCA-UHFFFAOYSA-N -1 1 347.827 3.933 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)C[C@@H]3CCO[C@H](C(C)C)C3)[nH][n-]2)s1 ZINC000541025859 1035911351 /nfs/dbraw/zinc/91/13/51/1035911351.db2.gz DBCIJPUHOFXKRO-HIFRSBDPSA-N -1 1 347.484 3.648 20 0 EHADMM O=C(NC1CCC(O)(c2ccccc2)CC1)c1cc(Cl)ccc1[O-] ZINC000760708749 1036097454 /nfs/dbraw/zinc/09/74/54/1036097454.db2.gz QPZHZNNWNYUGNX-UHFFFAOYSA-N -1 1 345.826 3.606 20 0 EHADMM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl ZINC000464213496 1036225554 /nfs/dbraw/zinc/22/55/54/1036225554.db2.gz NAIQFDWKFGVVPC-UHFFFAOYSA-N -1 1 343.782 3.586 20 0 EHADMM O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)c1ccc([O-])cc1 ZINC000063927488 1036252191 /nfs/dbraw/zinc/25/21/91/1036252191.db2.gz MITPULFCXOPSQV-UHFFFAOYSA-N -1 1 349.795 3.675 20 0 EHADMM O=C(/C=C/c1ccc[nH]1)Nc1c([O-])cc(Br)cc1Cl ZINC000492782055 1036286858 /nfs/dbraw/zinc/28/68/58/1036286858.db2.gz LBMXUCURAYEARY-ONEGZZNKSA-N -1 1 341.592 3.788 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)c1 ZINC000589431896 1036425981 /nfs/dbraw/zinc/42/59/81/1036425981.db2.gz WHSGTBDQJHZCEX-UHFFFAOYSA-N -1 1 335.425 3.531 20 0 EHADMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)s1 ZINC000464406054 1036429638 /nfs/dbraw/zinc/42/96/38/1036429638.db2.gz USBVVOURDOORCY-SECBINFHSA-N -1 1 347.864 3.759 20 0 EHADMM CCOc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)cc(Cl)c1[O-] ZINC000193265309 1036586883 /nfs/dbraw/zinc/58/68/83/1036586883.db2.gz NBWPZBMNSUVUIZ-OAHLLOKOSA-N -1 1 346.814 3.817 20 0 EHADMM CSC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000590462461 1036879900 /nfs/dbraw/zinc/87/99/00/1036879900.db2.gz ILCMDPPYCOIJNW-SNVBAGLBSA-N -1 1 333.375 3.626 20 0 EHADMM Cc1ccc(-c2nnc([N-]C(=O)c3cncc(Cl)n3)s2)c(C)c1 ZINC000760810115 1037248237 /nfs/dbraw/zinc/24/82/37/1037248237.db2.gz OKDXSNUYVSTNFL-UHFFFAOYSA-N -1 1 345.815 3.518 20 0 EHADMM CCOc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)cc(Cl)c1O ZINC000591726137 1037570084 /nfs/dbraw/zinc/57/00/84/1037570084.db2.gz FMCAZXCKZNUSFR-UHFFFAOYSA-N -1 1 334.734 3.899 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1OC ZINC000172882355 1037714608 /nfs/dbraw/zinc/71/46/08/1037714608.db2.gz KCVOWXPBXNMCNS-UHFFFAOYSA-N -1 1 335.425 3.628 20 0 EHADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1C ZINC000172884129 1037719690 /nfs/dbraw/zinc/71/96/90/1037719690.db2.gz RWNHWVWRCCDXGH-UHFFFAOYSA-N -1 1 346.452 3.878 20 0 EHADMM CCn1c(C)cc(C([O-])=C[S@@](=O)Cc2cc(C)ccc2C)c1C ZINC000124790447 1038237527 /nfs/dbraw/zinc/23/75/27/1038237527.db2.gz PSNOIYNBOGJBCR-HSZRJFAPSA-N -1 1 331.481 3.873 20 0 EHADMM CCOCCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552022414 1038457397 /nfs/dbraw/zinc/45/73/97/1038457397.db2.gz RXVJHJBBHIBDBO-UHFFFAOYSA-N -1 1 336.613 3.563 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCCS1 ZINC000552022423 1038457499 /nfs/dbraw/zinc/45/74/99/1038457499.db2.gz WGLMEUGQVOBKIA-SECBINFHSA-N -1 1 336.638 3.642 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3c[nH]c4cc(F)ccc34)[nH][n-]2)s1 ZINC000538686629 1038478350 /nfs/dbraw/zinc/47/83/50/1038478350.db2.gz FTPCVVMBAHRDPZ-UHFFFAOYSA-N -1 1 340.383 3.741 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC3CCC2CC3)c([O-])c1 ZINC000378400267 1038584291 /nfs/dbraw/zinc/58/42/91/1038584291.db2.gz SVMIRMXZDFADRH-UHFFFAOYSA-N -1 1 346.427 3.754 20 0 EHADMM CCc1nc(-c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2)n[nH]1 ZINC000182869105 1038645377 /nfs/dbraw/zinc/64/53/77/1038645377.db2.gz DOOZZODPMSLXCO-UHFFFAOYSA-N -1 1 342.786 3.645 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000182880009 1038646725 /nfs/dbraw/zinc/64/67/25/1038646725.db2.gz WLAGPISWZJAYPT-UHFFFAOYSA-N -1 1 345.811 3.772 20 0 EHADMM CC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1F ZINC000416645407 1038861744 /nfs/dbraw/zinc/86/17/44/1038861744.db2.gz JWLRHLQOYGDOTC-SFHVURJKSA-N -1 1 349.427 3.558 20 0 EHADMM O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc(SC(F)F)cc1 ZINC000128116338 1038999065 /nfs/dbraw/zinc/99/90/65/1038999065.db2.gz YGUXRSMQBWZLLE-UHFFFAOYSA-N -1 1 336.323 3.632 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1cccc(OC(F)(F)F)c1 ZINC000905726009 1039061550 /nfs/dbraw/zinc/06/15/50/1039061550.db2.gz DARAMVHAHNARPU-SNVBAGLBSA-N -1 1 340.301 3.529 20 0 EHADMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000554214831 1039067747 /nfs/dbraw/zinc/06/77/47/1039067747.db2.gz UFITVOLCJDOABM-UHFFFAOYSA-N -1 1 325.408 3.531 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCC(C)(C)C)cc1 ZINC000031759931 1039167597 /nfs/dbraw/zinc/16/75/97/1039167597.db2.gz BMWPRYRTOJQYTH-UHFFFAOYSA-N -1 1 346.500 3.859 20 0 EHADMM Cn1cc(C(=O)Nc2cc(F)cc(F)c2[O-])c(C2CCCCC2)n1 ZINC000910983839 1039179341 /nfs/dbraw/zinc/17/93/41/1039179341.db2.gz KNQVXXADDBPXNR-UHFFFAOYSA-N -1 1 335.354 3.704 20 0 EHADMM O=C([N-][C@@H](c1ccccn1)C1CC1)C(F)(F)c1cc(F)cc(F)c1 ZINC000906249287 1039410448 /nfs/dbraw/zinc/41/04/48/1039410448.db2.gz OLAGMYNQLQOAFX-OAHLLOKOSA-N -1 1 338.304 3.719 20 0 EHADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000480426466 1039539733 /nfs/dbraw/zinc/53/97/33/1039539733.db2.gz JFKQCWLXCINBMP-UHFFFAOYSA-N -1 1 349.786 3.718 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)cc1C ZINC000500821543 1039545907 /nfs/dbraw/zinc/54/59/07/1039545907.db2.gz FXKDBWLJKQHASC-UHFFFAOYSA-N -1 1 348.468 3.649 20 0 EHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)s1 ZINC000554708016 1039616551 /nfs/dbraw/zinc/61/65/51/1039616551.db2.gz HUBISNBQIIEQEP-NSHDSACASA-N -1 1 341.420 3.665 20 0 EHADMM CN(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CC(C)(C)CC(C)(C)C1 ZINC000912412504 1039859632 /nfs/dbraw/zinc/85/96/32/1039859632.db2.gz CCTBMTSJPNSSSZ-UHFFFAOYSA-N -1 1 331.460 3.737 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000417571669 1040005973 /nfs/dbraw/zinc/00/59/73/1040005973.db2.gz XNYNMYGWXCGLDB-LRDDRELGSA-N -1 1 332.469 3.992 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000417571724 1040006808 /nfs/dbraw/zinc/00/68/08/1040006808.db2.gz XXAWRAUGQXDKLQ-CABZTGNLSA-N -1 1 344.358 3.714 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(C3CCC3)s2)c1 ZINC000417581479 1040030429 /nfs/dbraw/zinc/03/04/29/1040030429.db2.gz HVWANKLJMUZFQJ-MRXNPFEDSA-N -1 1 346.452 3.725 20 0 EHADMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1NC(=O)C(C)(C)C ZINC000110460291 1040058634 /nfs/dbraw/zinc/05/86/34/1040058634.db2.gz NXVZZNKUPZDLPL-UHFFFAOYSA-N -1 1 342.395 3.643 20 0 EHADMM COCc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000555017129 1040065996 /nfs/dbraw/zinc/06/59/96/1040065996.db2.gz YORDHPUKFXZAPK-UHFFFAOYSA-N -1 1 346.452 3.503 20 0 EHADMM COCc1ccc(CSc2nc(=O)cc([O-])n2C2CCCC2)cc1 ZINC000555017129 1040066008 /nfs/dbraw/zinc/06/60/08/1040066008.db2.gz YORDHPUKFXZAPK-UHFFFAOYSA-N -1 1 346.452 3.503 20 0 EHADMM COc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000417617748 1040067536 /nfs/dbraw/zinc/06/75/36/1040067536.db2.gz CKXAPPSKINDDPD-DOTOQJQBSA-N -1 1 331.799 3.751 20 0 EHADMM CC(C)Sc1cccc(Cl)c1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417621892 1040073143 /nfs/dbraw/zinc/07/31/43/1040073143.db2.gz NHHJWUMYKWWTBG-NWDGAFQWSA-N -1 1 325.861 3.959 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccnc(-c2ccccc2)c1 ZINC000479251793 1040073835 /nfs/dbraw/zinc/07/38/35/1040073835.db2.gz VGMCWHSGWDQMFM-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H](NCc2cnc(C(F)(F)F)s2)c2ccccc21 ZINC000417625217 1040104504 /nfs/dbraw/zinc/10/45/04/1040104504.db2.gz LQRAOISLLHFCJU-VXGBXAGGSA-N -1 1 342.342 3.565 20 0 EHADMM C[C@@H]1C[C@H](C)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486413509 1040115528 /nfs/dbraw/zinc/11/55/28/1040115528.db2.gz BKBHSBCJZZRWKQ-VHSXEESVSA-N -1 1 349.228 3.573 20 0 EHADMM CCCCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000908442283 1040455789 /nfs/dbraw/zinc/45/57/89/1040455789.db2.gz YYXOJZRXVOAUSU-UKRRQHHQSA-N -1 1 331.460 3.881 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(F)cc1)c1ccccc1Br ZINC000570655400 1040474073 /nfs/dbraw/zinc/47/40/73/1040474073.db2.gz OLYIGPHHQIJFKS-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM Cc1nc([C@H](NCc2cccc([O-])c2Cl)c2ccccc2F)no1 ZINC000339260613 1040514779 /nfs/dbraw/zinc/51/47/79/1040514779.db2.gz CNUANAXVASUTSN-MRXNPFEDSA-N -1 1 347.777 3.755 20 0 EHADMM CCCc1nc(C)c(C(=O)Nc2cccc([O-])c2Br)o1 ZINC000908708105 1040602373 /nfs/dbraw/zinc/60/23/73/1040602373.db2.gz PLWFNAFMEHHPMN-UHFFFAOYSA-N -1 1 339.189 3.656 20 0 EHADMM CCCCCCN(C)CC(=O)Nc1cccc(O)c1Br ZINC000908713980 1040607285 /nfs/dbraw/zinc/60/72/85/1040607285.db2.gz XVAMVFGGSPUEMW-UHFFFAOYSA-N -1 1 343.265 3.605 20 0 EHADMM CC(C)(C(=O)Nc1cccc([O-])c1Br)[C@H]1CCCCO1 ZINC000908716589 1040609043 /nfs/dbraw/zinc/60/90/43/1040609043.db2.gz HQNBHBLVCMSZIA-GFCCVEGCSA-N -1 1 342.233 3.689 20 0 EHADMM CC(C)CCO[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908716691 1040611037 /nfs/dbraw/zinc/61/10/37/1040611037.db2.gz KVYHJNDBAPSNOL-SNVBAGLBSA-N -1 1 330.222 3.544 20 0 EHADMM Cc1nnc([C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[O-])s1 ZINC000909861440 1041050667 /nfs/dbraw/zinc/05/06/67/1041050667.db2.gz YKHGGZGJLVACEF-RXMQYKEDSA-N -1 1 333.196 3.777 20 0 EHADMM Cc1ccccc1C1(C(=O)Nc2cc([O-])c(F)cc2F)CCOCC1 ZINC000909980045 1041090799 /nfs/dbraw/zinc/09/07/99/1041090799.db2.gz YBKDAZROWIFIJD-UHFFFAOYSA-N -1 1 347.361 3.666 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cc(Cl)ccc1Cl ZINC000429911769 1041154477 /nfs/dbraw/zinc/15/44/77/1041154477.db2.gz SZDQPTRPXUZVTA-QMMMGPOBSA-N -1 1 344.210 3.707 20 0 EHADMM O=C([N-]c1cc(F)c(F)cc1F)c1scnc1C(F)(F)F ZINC001125952506 1041559762 /nfs/dbraw/zinc/55/97/62/1041559762.db2.gz PYAIVCJFCWCBAE-UHFFFAOYSA-N -1 1 326.221 3.832 20 0 EHADMM Cc1ccc(OCCSc2nc(=O)cc([O-])n2C2CCCC2)cc1 ZINC000136481167 1041618898 /nfs/dbraw/zinc/61/88/98/1041618898.db2.gz KZPJNTXJIFTGMZ-UHFFFAOYSA-N -1 1 346.452 3.544 20 0 EHADMM Cc1ccc(OCCSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000136481167 1041618904 /nfs/dbraw/zinc/61/89/04/1041618904.db2.gz KZPJNTXJIFTGMZ-UHFFFAOYSA-N -1 1 346.452 3.544 20 0 EHADMM O=C(c1ccc(O)cc1[O-])N1CCc2c1cccc2-c1ccccc1 ZINC000184141928 1042170420 /nfs/dbraw/zinc/17/04/20/1042170420.db2.gz DTBIRXAZXFUBQF-UHFFFAOYSA-N -1 1 331.371 3.968 20 0 EHADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000049124530 1042444270 /nfs/dbraw/zinc/44/42/70/1042444270.db2.gz OKFMGXNPCLJGQZ-UHFFFAOYSA-N -1 1 338.237 3.864 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](CCc2ccccc2)C1 ZINC000185602032 1042636031 /nfs/dbraw/zinc/63/60/31/1042636031.db2.gz XGPMZPQCTHADEF-MRXNPFEDSA-N -1 1 345.826 3.519 20 0 EHADMM Cc1csc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000069168195 1042798706 /nfs/dbraw/zinc/79/87/06/1042798706.db2.gz YLWRNPVCEKEXQO-MRVPVSSYSA-N -1 1 327.793 3.570 20 0 EHADMM CC(C)(CC[N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1 ZINC000585789864 1043037415 /nfs/dbraw/zinc/03/74/15/1043037415.db2.gz ZONRPTLYVMUVET-UHFFFAOYSA-N -1 1 339.407 3.611 20 0 EHADMM COc1ccc(-c2nc(Cc3cccc(Cl)c3F)no2)c([O-])c1 ZINC000391168809 1043866351 /nfs/dbraw/zinc/86/63/51/1043866351.db2.gz FCITUJDZGQHKIV-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000058190493 1043912456 /nfs/dbraw/zinc/91/24/56/1043912456.db2.gz MYNANPJOYPLRRK-UHFFFAOYSA-N -1 1 345.251 3.860 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC3(CCC3)C2)c([O-])c1 ZINC000163276761 1043928684 /nfs/dbraw/zinc/92/86/84/1043928684.db2.gz CDHAHBWWTVKNAW-UHFFFAOYSA-N -1 1 346.427 3.755 20 0 EHADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc4cc[nH]c4c3)ccc2O1 ZINC000432616873 1044521227 /nfs/dbraw/zinc/52/12/27/1044521227.db2.gz LPVVCYDNAJMJOW-UHFFFAOYSA-N -1 1 342.420 3.682 20 0 EHADMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1nc(C)cs1 ZINC000153766990 1125658658 /nfs/dbraw/zinc/65/86/58/1125658658.db2.gz KYHVHVBHITYVRL-NSHDSACASA-N -1 1 340.832 3.700 20 0 EHADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1c(F)cccc1F ZINC000343847801 1126890514 /nfs/dbraw/zinc/89/05/14/1126890514.db2.gz XFCAGLZTTUFJKU-SREVYHEPSA-N -1 1 333.319 3.832 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1 ZINC000192705739 1126929658 /nfs/dbraw/zinc/92/96/58/1126929658.db2.gz XFRAHJBYWSZQNL-UHFFFAOYSA-N -1 1 338.432 3.782 20 0 EHADMM O=C(Nc1ccc(COCc2ccccc2)cc1)c1cncc([O-])c1 ZINC000176657225 1126945524 /nfs/dbraw/zinc/94/55/24/1126945524.db2.gz VSKIBPMFSDUIBX-UHFFFAOYSA-N -1 1 334.375 3.756 20 0 EHADMM O=C(c1nc[n-]c1-c1nc([C@H]2CCCCS2)no1)c1ccccc1 ZINC000350184053 1127065979 /nfs/dbraw/zinc/06/59/79/1127065979.db2.gz RXTMQXIQFKTAPA-GFCCVEGCSA-N -1 1 340.408 3.649 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c(C)o1 ZINC000182794983 1127348417 /nfs/dbraw/zinc/34/84/17/1127348417.db2.gz VAESCSOCRVMRDW-UHFFFAOYSA-N -1 1 337.294 3.855 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000764978599 1127559616 /nfs/dbraw/zinc/55/96/16/1127559616.db2.gz TVVNQOXJEDLKFQ-AWEZNQCLSA-N -1 1 341.455 3.710 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000024250322 1127704465 /nfs/dbraw/zinc/70/44/65/1127704465.db2.gz QSUCIZTZFOVOPA-UHFFFAOYSA-N -1 1 345.342 3.948 20 0 EHADMM O=S(=O)([N-]c1cc(-c2cccc(Cl)c2)n[nH]1)c1ccsc1 ZINC000671660515 1127765341 /nfs/dbraw/zinc/76/53/41/1127765341.db2.gz XOSLKGUIGHHLRP-UHFFFAOYSA-N -1 1 339.829 3.592 20 0 EHADMM CC(C)(C)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611933 1127983938 /nfs/dbraw/zinc/98/39/38/1127983938.db2.gz NXCDPTPMDXMMAA-UHFFFAOYSA-N -1 1 346.452 3.862 20 0 EHADMM CCNC(=O)Nc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000063698904 1128152279 /nfs/dbraw/zinc/15/22/79/1128152279.db2.gz XFHATYYRCROBMG-UHFFFAOYSA-N -1 1 349.390 3.939 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000063849293 1128158894 /nfs/dbraw/zinc/15/88/94/1128158894.db2.gz VGGREGIHCIKNGK-UHFFFAOYSA-N -1 1 337.416 3.860 20 0 EHADMM CCc1noc(C)c1C(=O)[N-]c1nc(-c2cccc(Cl)c2)ns1 ZINC000065813186 1128202907 /nfs/dbraw/zinc/20/29/07/1128202907.db2.gz NIFVGDAHTRGRKA-UHFFFAOYSA-N -1 1 348.815 3.970 20 0 EHADMM COc1cccc(OC(F)(F)F)c1NC(=O)c1cccc([O-])c1F ZINC001649110760 1128286695 /nfs/dbraw/zinc/28/66/95/1128286695.db2.gz LPRKSXGYSSAQNQ-UHFFFAOYSA-N -1 1 345.248 3.691 20 0 EHADMM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1c([O-])cccc1Cl ZINC000765843963 1128546839 /nfs/dbraw/zinc/54/68/39/1128546839.db2.gz UQCQMYRLPKMAEZ-XJKSGUPXSA-N -1 1 331.799 3.696 20 0 EHADMM Cc1cnc(C(=O)N[C@H](CCc2ccccc2)c2ccccn2)c([O-])c1 ZINC001648860410 1120057055 /nfs/dbraw/zinc/05/70/55/1120057055.db2.gz CMIKNIMGQIUPMH-GOSISDBHSA-N -1 1 347.418 3.595 20 0 EHADMM COC(=O)c1ccc(OC)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486412 1128890200 /nfs/dbraw/zinc/89/02/00/1128890200.db2.gz GHFUZTRJAIGNAZ-UHFFFAOYSA-N -1 1 325.723 3.724 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2cccc(O)c2)cc1)c1ccccc1 ZINC000147978859 1120121381 /nfs/dbraw/zinc/12/13/81/1120121381.db2.gz NKGBLCUBDSERMZ-UHFFFAOYSA-N -1 1 325.389 3.860 20 0 EHADMM CC(C)c1ccsc1C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074330 1120249979 /nfs/dbraw/zinc/24/99/79/1120249979.db2.gz CUQZQQMNWLBDSF-UHFFFAOYSA-N -1 1 338.502 3.679 20 0 EHADMM O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1[O-] ZINC000110325433 1120333316 /nfs/dbraw/zinc/33/33/16/1120333316.db2.gz MUJVLPXWRYCSDX-OAHLLOKOSA-N -1 1 346.224 3.962 20 0 EHADMM O=C(NCc1cccc2[nH]ccc21)c1ccc(Br)c([O-])c1 ZINC001648994612 1120338644 /nfs/dbraw/zinc/33/86/44/1120338644.db2.gz XBUABLMETCEPLD-UHFFFAOYSA-N -1 1 345.196 3.566 20 0 EHADMM COC(=O)c1c[n-]c(SCc2csc(-c3ccccc3F)n2)n1 ZINC000187598502 1120505366 /nfs/dbraw/zinc/50/53/66/1120505366.db2.gz MXKCIQPILDIPOM-UHFFFAOYSA-N -1 1 349.412 3.751 20 0 EHADMM Cc1c(=O)[n-]c(SC[C@H]2CCC(C)(C)O2)nc1-c1ccccc1 ZINC000189481352 1120588746 /nfs/dbraw/zinc/58/87/46/1120588746.db2.gz ISFUIKAPRXQKDN-CQSZACIVSA-N -1 1 330.453 3.795 20 0 EHADMM CCN(C(=O)c1csc(=NC2CC2)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000495032759 1120935122 /nfs/dbraw/zinc/93/51/22/1120935122.db2.gz VXTINFMMJHMFND-LLVKDONJSA-N -1 1 333.432 3.502 20 0 EHADMM CCN(C(=O)c1csc(=NC2CC2)[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000495032759 1120935124 /nfs/dbraw/zinc/93/51/24/1120935124.db2.gz VXTINFMMJHMFND-LLVKDONJSA-N -1 1 333.432 3.502 20 0 EHADMM COC(=O)c1cccc2nc(NC(=O)C[C@H](C)CC(C)(C)C)[nH]c21 ZINC001127330295 1121051947 /nfs/dbraw/zinc/05/19/47/1121051947.db2.gz FIQVVHYTJSCLLW-NSHDSACASA-N -1 1 331.416 3.750 20 0 EHADMM COC(=O)c1cccc2nc(NC(=O)C[C@@H](C)CC(C)(C)C)[nH]c21 ZINC001127330294 1121051990 /nfs/dbraw/zinc/05/19/90/1121051990.db2.gz FIQVVHYTJSCLLW-LLVKDONJSA-N -1 1 331.416 3.750 20 0 EHADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cc2ccccc2cc1[O-] ZINC000762681392 1121410843 /nfs/dbraw/zinc/41/08/43/1121410843.db2.gz TUFJOKWETBOVPI-DJIMGWMZSA-N -1 1 345.489 3.655 20 0 EHADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000495896677 1121562408 /nfs/dbraw/zinc/56/24/08/1121562408.db2.gz QRZLNPQZWKNUQB-FRRDWIJNSA-N -1 1 348.443 3.856 20 0 EHADMM CCN(CC)C(=O)c1ccc([N-]c2noc(C(C)(C)C)n2)c(OC)c1 ZINC001212460134 1128998467 /nfs/dbraw/zinc/99/84/67/1128998467.db2.gz SWISBSNILDMIEB-UHFFFAOYSA-N -1 1 346.431 3.601 20 0 EHADMM Cc1nc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)co1 ZINC000670230075 1121683363 /nfs/dbraw/zinc/68/33/63/1121683363.db2.gz WTGUTELILYCILT-UHFFFAOYSA-N -1 1 338.751 3.546 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1C ZINC000074842703 1121712738 /nfs/dbraw/zinc/71/27/38/1121712738.db2.gz BBKACINAZCVEBW-UHFFFAOYSA-N -1 1 330.409 3.594 20 0 EHADMM C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000496946527 1122217195 /nfs/dbraw/zinc/21/71/95/1122217195.db2.gz SALVCTRBLITBPE-GXTWGEPZSA-N -1 1 348.443 4.000 20 0 EHADMM NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccccc3[O-])cc2)c1 ZINC000068148211 1122605001 /nfs/dbraw/zinc/60/50/01/1122605001.db2.gz KALNDVQUCZXRAD-UHFFFAOYSA-N -1 1 348.358 3.536 20 0 EHADMM Cc1c(=O)[n-]c(SC[C@@H]2C[C@]23CCOC3)nc1-c1ccccc1 ZINC000917468496 1122615513 /nfs/dbraw/zinc/61/55/13/1122615513.db2.gz NEPIRRBXQOFKAU-KSSFIOAISA-N -1 1 328.437 3.676 20 0 EHADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(CC1CC1)C1CCCCC1 ZINC000069222488 1122758817 /nfs/dbraw/zinc/75/88/17/1122758817.db2.gz PBFJWJZHMIMFEQ-UHFFFAOYSA-N -1 1 325.412 3.520 20 0 EHADMM O=C(c1ccccc1)c1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212481070 1129085979 /nfs/dbraw/zinc/08/59/79/1129085979.db2.gz YVIFRGLURVUJLD-UHFFFAOYSA-N -1 1 343.342 3.735 20 0 EHADMM CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000920225029 1123341179 /nfs/dbraw/zinc/34/11/79/1123341179.db2.gz WPVOKQOIETXJGC-UHFFFAOYSA-N -1 1 344.367 3.555 20 0 EHADMM CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1c([O-])cccc1Cl ZINC000920454506 1123370672 /nfs/dbraw/zinc/37/06/72/1123370672.db2.gz MSIWQTYZIIYMDJ-CYBMUJFWSA-N -1 1 347.846 3.805 20 0 EHADMM Cc1ccccc1OCCCN(C)C(=O)c1c([O-])cccc1Cl ZINC000920458416 1123371615 /nfs/dbraw/zinc/37/16/15/1123371615.db2.gz NOYQDTUPPLYARL-UHFFFAOYSA-N -1 1 333.815 3.895 20 0 EHADMM CN(CCCCNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000920461123 1123371991 /nfs/dbraw/zinc/37/19/91/1123371991.db2.gz MPHSFSJVNRQSOB-UHFFFAOYSA-N -1 1 332.831 3.692 20 0 EHADMM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1c([O-])cccc1Cl ZINC000920459609 1123372162 /nfs/dbraw/zinc/37/21/62/1123372162.db2.gz CRYHNDSADPOJBB-CYBMUJFWSA-N -1 1 335.762 3.828 20 0 EHADMM O=C(NCc1ccccc1OC(F)(F)F)c1c([O-])cccc1Cl ZINC000920436450 1123373335 /nfs/dbraw/zinc/37/33/35/1123373335.db2.gz MHLZRWZCDUVMQF-UHFFFAOYSA-N -1 1 345.704 3.874 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1nc(C(C)(C)C)no1 ZINC000075381150 1123393522 /nfs/dbraw/zinc/39/35/22/1123393522.db2.gz DPOMVMFLZDTGNQ-NSHDSACASA-N -1 1 339.395 3.717 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2ccc(Br)cc2[O-])s1 ZINC000076465853 1123495077 /nfs/dbraw/zinc/49/50/77/1123495077.db2.gz KKRWEIPEVKLDNK-UHFFFAOYSA-N -1 1 340.242 3.797 20 0 EHADMM CC[C@H](c1ccncc1)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135129155 1123585131 /nfs/dbraw/zinc/58/51/31/1123585131.db2.gz DATCUVIHSROBAT-CQSZACIVSA-N -1 1 334.803 3.673 20 0 EHADMM Cc1cc(CN2CCC(CC(=O)[O-])CC2)c(Br)cc1F ZINC000901418505 1123729687 /nfs/dbraw/zinc/72/96/87/1123729687.db2.gz IENGCJFFPYEJRU-UHFFFAOYSA-N -1 1 344.224 3.583 20 0 EHADMM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1cc2ccccc2o1 ZINC000084938292 1124606095 /nfs/dbraw/zinc/60/60/95/1124606095.db2.gz DWLUGFPFVSNYTH-UHFFFAOYSA-N -1 1 348.449 3.637 20 0 EHADMM O=C([N-]c1nc(C2CC2)no1)c1cc2cc(Br)ccc2o1 ZINC000734879649 1131285850 /nfs/dbraw/zinc/28/58/50/1131285850.db2.gz QRCVWIUHUUPUEQ-UHFFFAOYSA-N -1 1 348.156 3.708 20 0 EHADMM Cc1ccccc1-c1nc(C(=O)[N-]c2nc(C3CC3)no2)cs1 ZINC000734879241 1131286076 /nfs/dbraw/zinc/28/60/76/1131286076.db2.gz YYQWJKKFHZJYNF-UHFFFAOYSA-N -1 1 326.381 3.631 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000182872101 1125386756 /nfs/dbraw/zinc/38/67/56/1125386756.db2.gz LCJQWKBXBDTZNP-UHFFFAOYSA-N -1 1 345.811 3.772 20 0 EHADMM COc1cc(C(=O)N[C@H](C)C2CCC(F)CC2)cc(Cl)c1[O-] ZINC000619963032 1125439900 /nfs/dbraw/zinc/43/99/00/1125439900.db2.gz UWZZNPXLZINQNX-GRZMOONWSA-N -1 1 329.799 3.701 20 0 EHADMM CCOc1ccc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000673139912 1129206716 /nfs/dbraw/zinc/20/67/16/1129206716.db2.gz VNYUDESRQFKNCF-NSHDSACASA-N -1 1 349.814 3.944 20 0 EHADMM 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1 344.382 3.797 20 0 EHADMM CS(=O)(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001173942929 1132191063 /nfs/dbraw/zinc/19/10/63/1132191063.db2.gz ARIKYTODOIUGLM-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM COc1ccc(OC)c(OC)c1Nc1cc([O-])c(Cl)cc1F ZINC001174054190 1132209267 /nfs/dbraw/zinc/20/92/67/1132209267.db2.gz HFODKXPOKHPXDH-UHFFFAOYSA-N -1 1 327.739 3.954 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cccc(N3CCCCC3)c2)c1 ZINC001174304634 1132311660 /nfs/dbraw/zinc/31/16/60/1132311660.db2.gz KHOIJHMQNCKPLT-UHFFFAOYSA-N -1 1 346.452 3.530 20 0 EHADMM COCCOc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192208623 1132468760 /nfs/dbraw/zinc/46/87/60/1132468760.db2.gz OYBPXBKYGMOVNF-UHFFFAOYSA-N -1 1 336.775 3.715 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C)c(OC)cc2C)c1 ZINC001175110869 1132556244 /nfs/dbraw/zinc/55/62/44/1132556244.db2.gz XXOLGINOFYUBPF-UHFFFAOYSA-N -1 1 335.425 3.555 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cc(C(F)(F)F)ccc2F)c1 ZINC001175077116 1132561027 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Nc1cccc(-c2cccc(Nc3c(F)cc(F)c([O-])c3F)n2)n1 ZINC001176663166 1132987319 /nfs/dbraw/zinc/98/73/19/1132987319.db2.gz CLGOKIWWOKUYKP-UHFFFAOYSA-N -1 1 332.285 3.592 20 0 EHADMM CSCc1cc(C(=O)NCc2ccc([O-])c(Cl)c2)ccc1F ZINC001176987647 1133018562 /nfs/dbraw/zinc/01/85/62/1133018562.db2.gz ALEQOOGIPTUAMT-UHFFFAOYSA-N -1 1 339.819 3.978 20 0 EHADMM O=C(C[C@@H](c1ccccc1)C(F)(F)F)[N-]Oc1ccccc1F ZINC001177109977 1133031750 /nfs/dbraw/zinc/03/17/50/1133031750.db2.gz YMFUMFJZZJVBQG-LBPRGKRZSA-N -1 1 327.277 3.972 20 0 EHADMM Cc1ccc([S@](C)(=O)=NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001179389449 1133250115 /nfs/dbraw/zinc/25/01/15/1133250115.db2.gz JHAGKIQBGRKZNT-QFIPXVFZSA-N -1 1 337.828 3.580 20 0 EHADMM O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cc(F)c([O-])cc1Cl ZINC001179660365 1133268360 /nfs/dbraw/zinc/26/83/60/1133268360.db2.gz RDLGASOOYKQGEK-CYBMUJFWSA-N -1 1 344.169 3.900 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccc(Br)n1 ZINC001179660524 1133268600 /nfs/dbraw/zinc/26/86/00/1133268600.db2.gz 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1133369062 /nfs/dbraw/zinc/36/90/62/1133369062.db2.gz XXFBDENGTQWLHV-OCCSQVGLSA-N -1 1 348.443 4.000 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2)c([O-])c1 ZINC000770000695 1133376252 /nfs/dbraw/zinc/37/62/52/1133376252.db2.gz WFRUNNOOVPRNAJ-UHFFFAOYSA-N -1 1 344.367 3.697 20 0 EHADMM CCOC(=O)Nc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000771221923 1133529268 /nfs/dbraw/zinc/52/92/68/1133529268.db2.gz KXGXXAZQRQUGRU-UHFFFAOYSA-N -1 1 343.314 3.817 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])C1(c2ccccc2)CCC1 ZINC000771574537 1133572749 /nfs/dbraw/zinc/57/27/49/1133572749.db2.gz MTNZOSJJTNDIGC-UHFFFAOYSA-N -1 1 347.212 3.610 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cncc3ccccc32)c1 ZINC000772295464 1133669398 /nfs/dbraw/zinc/66/93/98/1133669398.db2.gz FWJJKLBWIAJWSP-UHFFFAOYSA-N -1 1 335.359 3.543 20 0 EHADMM O=C([N-][C@@H](c1ncccc1F)C1CC1)C(F)(F)c1ccc(F)cc1 ZINC001182890334 1133744604 /nfs/dbraw/zinc/74/46/04/1133744604.db2.gz NCDCNAQRWFTMGE-CQSZACIVSA-N -1 1 338.304 3.719 20 0 EHADMM Cc1cc(OCC(=O)Nc2nc(Cl)ccc2[O-])ccc1C(C)C ZINC001183210787 1133782861 /nfs/dbraw/zinc/78/28/61/1133782861.db2.gz YLMKOPBMNHWWAY-UHFFFAOYSA-N -1 1 334.803 3.890 20 0 EHADMM CC(C)(C)C1CCN(NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC001183377755 1133801397 /nfs/dbraw/zinc/80/13/97/1133801397.db2.gz DPVNFQNARSXIDI-UHFFFAOYSA-N -1 1 326.440 3.948 20 0 EHADMM Cc1cccc(C(C)(C)C)c1NC(=O)Nc1ccc(C(N)=O)c([O-])c1 ZINC001184624574 1133966898 /nfs/dbraw/zinc/96/68/98/1133966898.db2.gz OBXAZYQWFFXJJM-UHFFFAOYSA-N -1 1 341.411 3.741 20 0 EHADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)c1nc2ccccc2o1 ZINC000746701228 1134021250 /nfs/dbraw/zinc/02/12/50/1134021250.db2.gz IYQUEMIFMFNYRO-SNVBAGLBSA-N -1 1 330.771 3.720 20 0 EHADMM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](CC)C(F)(F)F ZINC000787691905 1134030046 /nfs/dbraw/zinc/03/00/46/1134030046.db2.gz LPLKQIJAOXDYLM-NSHDSACASA-N -1 1 325.277 3.634 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)ccc23)ccc1Cl ZINC001185529596 1134104137 /nfs/dbraw/zinc/10/41/37/1134104137.db2.gz IBOBCGPFEJJCLW-UHFFFAOYSA-N -1 1 348.811 3.703 20 0 EHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186262990 1134189583 /nfs/dbraw/zinc/18/95/83/1134189583.db2.gz IZGZVIWIKACCNA-UHFFFAOYSA-N -1 1 347.465 3.617 20 0 EHADMM O=C(Nc1cccc(CCc2ccccn2)c1)c1ccc([O-])cc1F ZINC001186310906 1134198572 /nfs/dbraw/zinc/19/85/72/1134198572.db2.gz HUBPQYHCUVGEKZ-UHFFFAOYSA-N -1 1 336.366 3.964 20 0 EHADMM CC(C)(C)OCCCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000789080046 1134219014 /nfs/dbraw/zinc/21/90/14/1134219014.db2.gz USSVXXMXDAQLEF-UHFFFAOYSA-N -1 1 345.233 3.907 20 0 EHADMM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1ccccc1O ZINC001187064882 1134291989 /nfs/dbraw/zinc/29/19/89/1134291989.db2.gz DOUVLNBOILSGPM-UHFFFAOYSA-N -1 1 332.208 3.641 20 0 EHADMM Cc1c(Br)cccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930450 1134345348 /nfs/dbraw/zinc/34/53/48/1134345348.db2.gz NFEKICZNBRCTAI-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM CC(C)c1nn(C)c(Cl)c1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000789897594 1134347018 /nfs/dbraw/zinc/34/70/18/1134347018.db2.gz LVIKIXSLRPVKMF-NSHDSACASA-N -1 1 341.864 3.564 20 0 EHADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cn(C)c2ccccc12 ZINC000790049324 1134365691 /nfs/dbraw/zinc/36/56/91/1134365691.db2.gz YCYUJFMLKKXFNX-JTQLQIEISA-N -1 1 329.787 3.675 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccn(-c2ccc(Cl)cc2)n1 ZINC000790055787 1134366763 /nfs/dbraw/zinc/36/67/63/1134366763.db2.gz GDDPZSUZJLAWHI-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM CCC1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCC1 ZINC001187853021 1134390357 /nfs/dbraw/zinc/39/03/57/1134390357.db2.gz CQZGSPYGCHLXLE-UHFFFAOYSA-N -1 1 326.220 3.744 20 0 EHADMM COc1ccc(Cl)cc1NC(=O)Nc1cc(F)c([O-])cc1F ZINC001187928878 1134401989 /nfs/dbraw/zinc/40/19/89/1134401989.db2.gz ZJXWVEILQDWPNE-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM O=C(Nc1cccc2nccnc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188585709 1134484573 /nfs/dbraw/zinc/48/45/73/1134484573.db2.gz GXPMQXDJRIPMCB-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM Cc1cc(C(=O)CSc2nc(C)c(C)c(=O)[n-]2)c(Cl)cc1F ZINC001189062671 1134538596 /nfs/dbraw/zinc/53/85/96/1134538596.db2.gz ZYGPMMHGBHHQAG-UHFFFAOYSA-N -1 1 340.807 3.875 20 0 EHADMM CSc1cccc(NC(=O)c2nnc3ccccc3c2O)c1C ZINC000775238908 1134574601 /nfs/dbraw/zinc/57/46/01/1134574601.db2.gz UJXBWLVXTJLXJJ-UHFFFAOYSA-N -1 1 325.393 3.618 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)Cc3cccc(F)c3F)ccc2c1 ZINC001189419363 1134584972 /nfs/dbraw/zinc/58/49/72/1134584972.db2.gz AVCDXMUIWPZVLU-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2c(C)ccc3cccnc32)c(OC)c1 ZINC001190138041 1134659366 /nfs/dbraw/zinc/65/93/66/1134659366.db2.gz QXXYZBUQLMSKQT-UHFFFAOYSA-N -1 1 338.363 3.518 20 0 EHADMM COc1cc(C(=O)Nc2nc(C)nc3sccc32)cc(Cl)c1[O-] ZINC001191129368 1134798275 /nfs/dbraw/zinc/79/82/75/1134798275.db2.gz LGDIZLXXKUCFQQ-UHFFFAOYSA-N -1 1 349.799 3.620 20 0 EHADMM COc1cc(C(=O)Nc2ncnc3sc(C)cc32)cc(Cl)c1[O-] ZINC001191128764 1134798406 /nfs/dbraw/zinc/79/84/06/1134798406.db2.gz BURKEVDHHFAHAG-UHFFFAOYSA-N -1 1 349.799 3.620 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3ocnc3c2)cc1 ZINC001191249471 1134823773 /nfs/dbraw/zinc/82/37/73/1134823773.db2.gz VKOJKFCMEDKAQI-UHFFFAOYSA-N -1 1 330.409 3.971 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3ncncc3c2)cc1 ZINC001191252876 1134824525 /nfs/dbraw/zinc/82/45/25/1134824525.db2.gz HZIXSCGWGAFCPA-UHFFFAOYSA-N -1 1 341.436 3.773 20 0 EHADMM Cc1cc(C)c(NC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)cn1 ZINC001191489274 1134872351 /nfs/dbraw/zinc/87/23/51/1134872351.db2.gz QXMUDGWBIBSEAJ-UHFFFAOYSA-N -1 1 346.386 3.887 20 0 EHADMM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ncccc1C1CC1 ZINC001191872900 1134938928 /nfs/dbraw/zinc/93/89/28/1134938928.db2.gz KYGJMJNWOGREPP-UHFFFAOYSA-N -1 1 340.807 3.693 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191903691 1134941172 /nfs/dbraw/zinc/94/11/72/1134941172.db2.gz KBLZCWIKVJVBRC-UHFFFAOYSA-N -1 1 347.770 3.569 20 0 EHADMM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ncccc3F)cc2)cc1 ZINC001192063465 1134964111 /nfs/dbraw/zinc/96/41/11/1134964111.db2.gz LMQQEYLMFUNGRA-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2ccnn2CC(F)(F)F)c([O-])c1 ZINC001192315207 1134997689 /nfs/dbraw/zinc/99/76/89/1134997689.db2.gz ZEFBGTVCHHXYRJ-UHFFFAOYSA-N -1 1 341.333 3.701 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccccn3)no2)c([O-])c1 ZINC001192315142 1134998041 /nfs/dbraw/zinc/99/80/41/1134998041.db2.gz YBTKIRVFEJDOEA-UHFFFAOYSA-N -1 1 337.379 3.992 20 0 EHADMM Cc1cn(-c2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2F)cn1 ZINC001192539542 1135032475 /nfs/dbraw/zinc/03/24/75/1135032475.db2.gz LMIQPNBOTQVTPG-UHFFFAOYSA-N -1 1 347.296 3.556 20 0 EHADMM Cc1ccccc1-c1cc(NC(=O)c2cc([O-])cc(F)c2F)n(C)n1 ZINC001192661098 1135040313 /nfs/dbraw/zinc/04/03/13/1135040313.db2.gz JJILAVMBMSMCPD-UHFFFAOYSA-N -1 1 343.333 3.632 20 0 EHADMM Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192896869 1135069499 /nfs/dbraw/zinc/06/94/99/1135069499.db2.gz DIWKPTVDLBVDGB-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM CCCc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)sc1C ZINC001129757240 1135151218 /nfs/dbraw/zinc/15/12/18/1135151218.db2.gz AFAGLTDHTHJCOJ-UHFFFAOYSA-N -1 1 331.441 3.636 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc2cccc(F)c2c1 ZINC001194616142 1135300104 /nfs/dbraw/zinc/30/01/04/1135300104.db2.gz OQNCIKNTARHBTH-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CC(C)OCc1cccc(NC(=O)c2c[n-]c(C(F)(F)F)n2)c1 ZINC001194781996 1135315331 /nfs/dbraw/zinc/31/53/31/1135315331.db2.gz JSPSCBSBYPESKF-UHFFFAOYSA-N -1 1 327.306 3.606 20 0 EHADMM O=C(Nc1ncc(-c2ccccc2)s1)c1c[n-]c(C(F)(F)F)n1 ZINC001194771062 1135320749 /nfs/dbraw/zinc/32/07/49/1135320749.db2.gz ZQMQQYUROGRUGM-UHFFFAOYSA-N -1 1 338.314 3.804 20 0 EHADMM CC(C)(C)n1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cn1 ZINC001194805880 1135323167 /nfs/dbraw/zinc/32/31/67/1135323167.db2.gz VPNOLXSMARVRKN-UHFFFAOYSA-N -1 1 327.306 3.615 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC3)c1 ZINC001195154317 1135381887 /nfs/dbraw/zinc/38/18/87/1135381887.db2.gz XGVXGIBRTUNOQR-UHFFFAOYSA-N -1 1 329.421 3.740 20 0 EHADMM CCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195152552 1135382304 /nfs/dbraw/zinc/38/23/04/1135382304.db2.gz FEJPGAYBMFHJIT-UHFFFAOYSA-N -1 1 346.452 3.959 20 0 EHADMM CCn1ncc2cc([N-]S(=O)(=O)c3cccc(C(C)C)c3)ccc21 ZINC001195158739 1135384443 /nfs/dbraw/zinc/38/44/43/1135384443.db2.gz FUJUDNJPOWGVGL-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)cnc1Cl ZINC001195278097 1135404123 /nfs/dbraw/zinc/40/41/23/1135404123.db2.gz LVYJTWZJCFJQDA-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC001195310261 1135411801 /nfs/dbraw/zinc/41/18/01/1135411801.db2.gz WDCGNPIVZUMSJP-UHFFFAOYSA-N -1 1 332.208 3.808 20 0 EHADMM O=C([N-]c1cc(C(F)(F)F)no1)c1cc(-c2ccc(F)cc2)no1 ZINC001130562913 1135417056 /nfs/dbraw/zinc/41/70/56/1135417056.db2.gz DPIQORIACBFGBC-UHFFFAOYSA-N -1 1 341.220 3.740 20 0 EHADMM O=C([N-]CCCSc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000762772974 1135424208 /nfs/dbraw/zinc/42/42/08/1135424208.db2.gz NLWVLGVIXOTVSS-UHFFFAOYSA-N -1 1 346.399 3.971 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)c(OC(F)(F)F)c1 ZINC001195487289 1135431789 /nfs/dbraw/zinc/43/17/89/1135431789.db2.gz QGUNBBFNHOYXDS-UHFFFAOYSA-N -1 1 342.726 3.682 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cccc(C(F)(F)F)c1Cl ZINC001195486510 1135431920 /nfs/dbraw/zinc/43/19/20/1135431920.db2.gz HHGGULAFFMUBPZ-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2cccc(OC)c2)cc1 ZINC001195484091 1135432005 /nfs/dbraw/zinc/43/20/05/1135432005.db2.gz KAFBSFXUDXHHDD-UHFFFAOYSA-N -1 1 330.409 3.805 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(Br)ccc1Cl ZINC001195486442 1135432083 /nfs/dbraw/zinc/43/20/83/1135432083.db2.gz CWVUCUDCRQCNPI-UHFFFAOYSA-N -1 1 337.626 3.545 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCC=CCCC1)c1c(Cl)ccnc1Cl ZINC001195857789 1135475964 /nfs/dbraw/zinc/47/59/64/1135475964.db2.gz MQGWZPQRQOVLHR-LLVKDONJSA-N -1 1 349.283 3.803 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CCCCc1ccccc1 ZINC000747359388 1135495495 /nfs/dbraw/zinc/49/54/95/1135495495.db2.gz GMMXZTGVBMOJTJ-UHFFFAOYSA-N -1 1 341.455 3.709 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCCc1cccc(Cl)c1 ZINC000747371050 1135516551 /nfs/dbraw/zinc/51/65/51/1135516551.db2.gz LGDSMLGUYOCNOW-UHFFFAOYSA-N -1 1 347.846 3.630 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC001196720136 1135599741 /nfs/dbraw/zinc/59/97/41/1135599741.db2.gz YQMJVHBATCLPDM-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(NC2=CC[C@@H](C(F)(F)F)CC2)c1 ZINC001196886107 1135621679 /nfs/dbraw/zinc/62/16/79/1135621679.db2.gz CKICVNCPERZFMT-SNVBAGLBSA-N -1 1 349.374 3.844 20 0 EHADMM Cc1ccnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197494150 1135699784 /nfs/dbraw/zinc/69/97/84/1135699784.db2.gz BGGPPPRJODTWOF-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM [O-]c1c(F)cc(NC(=S)NCc2ccc(Cl)cc2)cc1F ZINC001197581063 1135703663 /nfs/dbraw/zinc/70/36/63/1135703663.db2.gz PZRLNLCURBXPND-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)n1 ZINC001197715770 1135722316 /nfs/dbraw/zinc/72/23/16/1135722316.db2.gz HFSDTTHDZATNBK-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2ccccn2)o1 ZINC001197829325 1135744844 /nfs/dbraw/zinc/74/48/44/1135744844.db2.gz QABKKALUWLARHG-UHFFFAOYSA-N -1 1 328.393 3.592 20 0 EHADMM Cc1cccc2cccc([N-]S(=O)(=O)c3ccc4nccnc4c3)c12 ZINC001198155447 1135779950 /nfs/dbraw/zinc/77/99/50/1135779950.db2.gz LLUYQVIWFSCZPF-UHFFFAOYSA-N -1 1 349.415 3.892 20 0 EHADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc2occc2c1 ZINC001198816407 1135858816 /nfs/dbraw/zinc/85/88/16/1135858816.db2.gz IOILMAZBZGTNLA-UHFFFAOYSA-N -1 1 339.319 3.835 20 0 EHADMM CC(C)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])ccn1 ZINC001199209567 1135886710 /nfs/dbraw/zinc/88/67/10/1135886710.db2.gz JZHYYQYDRNHEIG-UHFFFAOYSA-N -1 1 340.301 3.846 20 0 EHADMM COc1c(Cl)cccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000747607719 1135975525 /nfs/dbraw/zinc/97/55/25/1135975525.db2.gz BYSFVUADNYFXIH-KTKRTIGZSA-N -1 1 341.791 3.900 20 0 EHADMM Cc1c([N-]C(=O)c2cc(COC(C)(C)C)on2)noc1C(C)(C)C ZINC001132674562 1136058127 /nfs/dbraw/zinc/05/81/27/1136058127.db2.gz GHLSKQHCHFFFHO-UHFFFAOYSA-N -1 1 335.404 3.836 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1nc2ccccc2cc1Cl ZINC000811395665 1136081965 /nfs/dbraw/zinc/08/19/65/1136081965.db2.gz BPXHWUYMPTXUPU-UHFFFAOYSA-N -1 1 334.162 3.895 20 0 EHADMM Cc1cccc(C)c1NC(=O)Nc1nc(Br)ccc1[O-] ZINC001202198358 1136109484 /nfs/dbraw/zinc/10/94/84/1136109484.db2.gz CWMOIQSXDRIWQJ-UHFFFAOYSA-N -1 1 336.189 3.811 20 0 EHADMM O=C(Nc1ccc(Br)cc1)Nc1cc(Cl)ncc1[O-] ZINC001202327443 1136129852 /nfs/dbraw/zinc/12/98/52/1136129852.db2.gz XGNVMMOPSWDPJS-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM CCc1cc2c(COC(=O)[C@@H]3CC[C@H](C)C3)cc(=O)oc2cc1[O-] ZINC000776424434 1136185389 /nfs/dbraw/zinc/18/53/89/1136185389.db2.gz MITVFBDZJRFFOO-WCQYABFASA-N -1 1 330.380 3.540 20 0 EHADMM Cc1nc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)cc(C2CC2)n1 ZINC000776487937 1136305788 /nfs/dbraw/zinc/30/57/88/1136305788.db2.gz QIEVZSKTYZAZHO-HJWRWDBZSA-N -1 1 349.843 3.728 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000853063043 1136504324 /nfs/dbraw/zinc/50/43/24/1136504324.db2.gz YXTCZDNBYKSQHA-BTTYYORXSA-N -1 1 326.362 3.632 20 0 EHADMM O=C1OCCN1Cc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000815117438 1136551945 /nfs/dbraw/zinc/55/19/45/1136551945.db2.gz PVKRDEHVTVAKIY-UHFFFAOYSA-N -1 1 332.787 3.610 20 0 EHADMM Cc1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)ccn1C(C)C ZINC000815317361 1136582322 /nfs/dbraw/zinc/58/23/22/1136582322.db2.gz COJRJXNIBVDFCU-UHFFFAOYSA-N -1 1 341.363 3.546 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(C)C)nc2C)c1 ZINC000815349578 1136584210 /nfs/dbraw/zinc/58/42/10/1136584210.db2.gz MANVYRXVZMAIOM-UHFFFAOYSA-N -1 1 341.407 3.821 20 0 EHADMM CC(C)(C)c1ccc(OCCNC(=O)c2cc(F)ccc2[O-])cc1 ZINC001135588396 1136725873 /nfs/dbraw/zinc/72/58/73/1136725873.db2.gz WZUVOGURJWAQIA-UHFFFAOYSA-N -1 1 331.387 3.638 20 0 EHADMM O=C([N-][C@H]1CCn2ccnc21)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817454032 1136807689 /nfs/dbraw/zinc/80/76/89/1136807689.db2.gz HJPCZBWIXNOJCB-NSHDSACASA-N -1 1 346.164 3.543 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000817463772 1136814463 /nfs/dbraw/zinc/81/44/63/1136814463.db2.gz XEDOKTICPHMTHB-UHFFFAOYSA-N -1 1 349.381 3.656 20 0 EHADMM CC(=O)Nc1ccc(OC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001135963177 1136830724 /nfs/dbraw/zinc/83/07/24/1136830724.db2.gz YYPXUJWBZUADLD-UHFFFAOYSA-N -1 1 340.162 3.877 20 0 EHADMM COc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1F ZINC000690020119 1136845220 /nfs/dbraw/zinc/84/52/20/1136845220.db2.gz MQHBQYOGFWWOKQ-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM COc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000857591447 1136887672 /nfs/dbraw/zinc/88/76/72/1136887672.db2.gz PAEDCVPBMPIIRZ-ZDUSSCGKSA-N -1 1 337.288 3.634 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000819030485 1136905669 /nfs/dbraw/zinc/90/56/69/1136905669.db2.gz KZVPIBDZPDCUJO-UHFFFAOYSA-N -1 1 326.400 3.529 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 ZINC001136186280 1136906633 /nfs/dbraw/zinc/90/66/33/1136906633.db2.gz HPJMAQBPSQBCRC-LBPRGKRZSA-N -1 1 331.799 4.000 20 0 EHADMM O=C([N-]NC(=O)c1ccccc1Cl)c1cc2ccccc2s1 ZINC000028774206 1136923908 /nfs/dbraw/zinc/92/39/08/1136923908.db2.gz YOQYLFNKUGJXFG-UHFFFAOYSA-N -1 1 330.796 3.630 20 0 EHADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[O-])[C@@H]1C ZINC000110324934 1136961985 /nfs/dbraw/zinc/96/19/85/1136961985.db2.gz KVPUTZIOYDQZRN-BREBYQMCSA-N -1 1 326.234 3.709 20 0 EHADMM O=c1nc(N2CCC(Cc3ccc(F)c(F)c3)CC2)cc(Cl)[n-]1 ZINC000858485845 1136972038 /nfs/dbraw/zinc/97/20/38/1136972038.db2.gz HRGIMIANCYVNFG-UHFFFAOYSA-N -1 1 339.773 3.573 20 0 EHADMM CC[C@H](C)c1ccccc1OS(=O)(=O)c1c[n-]nc1C(F)(F)F ZINC000820758307 1137003601 /nfs/dbraw/zinc/00/36/01/1137003601.db2.gz XPJIHBMVDYFMQT-VIFPVBQESA-N -1 1 348.346 3.710 20 0 EHADMM O=C([N-][C@H]1CCCC(F)(F)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC000821048798 1137014205 /nfs/dbraw/zinc/01/42/05/1137014205.db2.gz DECXICJBNJKKEC-NSHDSACASA-N -1 1 325.252 3.751 20 0 EHADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000821826146 1137039368 /nfs/dbraw/zinc/03/93/68/1137039368.db2.gz DFHWHBDCLQDSNN-JTQLQIEISA-N -1 1 340.210 3.695 20 0 EHADMM CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc([O-])c(F)c3F)cc2C1 ZINC000821969362 1137045763 /nfs/dbraw/zinc/04/57/63/1137045763.db2.gz APWWMYVJZFJMQT-SECBINFHSA-N -1 1 348.349 3.538 20 0 EHADMM C[C@H]1CC(C)(C)CN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000822738406 1137072341 /nfs/dbraw/zinc/07/23/41/1137072341.db2.gz MXJXKXVRXRNTNV-LBPRGKRZSA-N -1 1 327.380 3.725 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCc2cnc(Cl)s2)[n-]1 ZINC000119330884 1137174652 /nfs/dbraw/zinc/17/46/52/1137174652.db2.gz POUIFPRHFIKPFU-UHFFFAOYSA-N -1 1 327.740 3.603 20 0 EHADMM Cc1c(=O)[n-]c(SCOC(=O)OC(C)C)nc1-c1ccccc1 ZINC000863320490 1137181049 /nfs/dbraw/zinc/18/10/49/1137181049.db2.gz APEDDSBKYSGQFN-UHFFFAOYSA-N -1 1 334.397 3.769 20 0 EHADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NC1CCCCC1 ZINC000014683951 1137190937 /nfs/dbraw/zinc/19/09/37/1137190937.db2.gz XOQBCVPOLRXQOF-UHFFFAOYSA-N -1 1 336.486 3.508 20 0 EHADMM C[C@@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000863739927 1137201641 /nfs/dbraw/zinc/20/16/41/1137201641.db2.gz BBAKNYCDGTULNA-RNCFNFMXSA-N -1 1 335.753 3.901 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2cc(F)c(C=O)cc2F)s1 ZINC000864969342 1137255801 /nfs/dbraw/zinc/25/58/01/1137255801.db2.gz NBJJWKGSEUVWDU-UHFFFAOYSA-N -1 1 339.367 3.614 20 0 EHADMM CC(C)(Br)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001144557798 1137309485 /nfs/dbraw/zinc/30/94/85/1137309485.db2.gz VAAAODXJMMXQLT-UHFFFAOYSA-N -1 1 326.112 3.523 20 0 EHADMM [O-]c1cc(F)c(CN2CCOC[C@H]2c2ccc(Cl)cc2)cc1F ZINC001144660272 1137327137 /nfs/dbraw/zinc/32/71/37/1137327137.db2.gz YWNCULNCAOWEBR-INIZCTEOSA-N -1 1 339.769 3.897 20 0 EHADMM COc1ccc([C@H]2CSCCN2Cc2sccc2C(=O)[O-])cc1 ZINC001144678054 1137328177 /nfs/dbraw/zinc/32/81/77/1137328177.db2.gz MXDZQMHHCOROCL-OAHLLOKOSA-N -1 1 349.477 3.745 20 0 EHADMM O=C(Cc1csc2ccc(Cl)cc12)[N-]O[C@@H]1CCCCO1 ZINC000120972795 1137339580 /nfs/dbraw/zinc/33/95/80/1137339580.db2.gz XXFRXEGIAPLGPV-OAHLLOKOSA-N -1 1 325.817 3.672 20 0 EHADMM CC(C)Cc1nsc(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC001146305381 1137388936 /nfs/dbraw/zinc/38/89/36/1137388936.db2.gz OJZHLJXQUNHUJD-UHFFFAOYSA-N -1 1 327.409 3.848 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)c2ccccc2O1 ZINC001147007259 1137398690 /nfs/dbraw/zinc/39/86/90/1137398690.db2.gz POOJYIBMVZZYCI-JTQLQIEISA-N -1 1 337.297 3.839 20 0 EHADMM CC(=Cc1ccccc1Cl)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000122041366 1137401657 /nfs/dbraw/zinc/40/16/57/1137401657.db2.gz MOBQPNUNTUMEGT-SREVYHEPSA-N -1 1 330.697 3.519 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)NC(C)(C)c3ccccc3C)cc2)[n-]1 ZINC001148339391 1137422798 /nfs/dbraw/zinc/42/27/98/1137422798.db2.gz BSTGBTDVHKZTES-UHFFFAOYSA-N -1 1 349.434 3.773 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(-n2cccc2)cc1 ZINC001148696814 1137431142 /nfs/dbraw/zinc/43/11/42/1137431142.db2.gz XNHUQQUETOLXAW-UHFFFAOYSA-N -1 1 344.374 3.621 20 0 EHADMM O=C(NC1CC2(C1)CC(F)(F)C2)c1ccc(C(F)(F)F)cc1[O-] ZINC001148806314 1137435256 /nfs/dbraw/zinc/43/52/56/1137435256.db2.gz PXNPAULVKYXNLB-UHFFFAOYSA-N -1 1 335.272 3.719 20 0 EHADMM O=C(Nc1ccnn1CC1CC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861063 1137436493 /nfs/dbraw/zinc/43/64/93/1137436493.db2.gz JCXNAOVINXJBRN-UHFFFAOYSA-N -1 1 333.391 3.918 20 0 EHADMM C[C@@]1(F)CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])C[C@H]1F ZINC001148866663 1137436599 /nfs/dbraw/zinc/43/65/99/1137436599.db2.gz DEWGYVUMXZMCMW-VQIMIIECSA-N -1 1 331.362 3.971 20 0 EHADMM O=C(Nc1ccc2[nH][nH]c(=O)c2c1)c1cccc(-c2ccccc2)c1[O-] ZINC001148870527 1137436623 /nfs/dbraw/zinc/43/66/23/1137436623.db2.gz YQYGGKUZJALKAJ-UHFFFAOYSA-N -1 1 345.358 3.893 20 0 EHADMM O=C(CNC(=O)c1cccc(-c2ccccc2)c1[O-])Cc1ccccc1 ZINC001148872950 1137437109 /nfs/dbraw/zinc/43/71/09/1137437109.db2.gz MPYKAVCEUBXRRE-UHFFFAOYSA-N -1 1 345.398 3.601 20 0 EHADMM CCCSc1cccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)n1 ZINC000869773213 1137465443 /nfs/dbraw/zinc/46/54/43/1137465443.db2.gz MFJHLXMKYZHMJQ-UHFFFAOYSA-N -1 1 346.456 3.763 20 0 EHADMM Cc1ccc(-c2cc([N-]S(=O)(=O)C=Cc3ccc(F)cc3)n[nH]2)o1 ZINC000773278852 1137485056 /nfs/dbraw/zinc/48/50/56/1137485056.db2.gz GCOXVAHLZBRRNQ-HJWRWDBZSA-N -1 1 347.371 3.530 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(OCc2ccccc2)cn1 ZINC001171637561 1137504052 /nfs/dbraw/zinc/50/40/52/1137504052.db2.gz NPNJTENPJMXGLA-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM C[C@H](C(=O)[N-]OCCCC(F)(F)F)c1cn(C)c2ccccc12 ZINC000871214049 1137527729 /nfs/dbraw/zinc/52/77/29/1137527729.db2.gz ARJKMTWZIUOGFZ-NSHDSACASA-N -1 1 328.334 3.672 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cncc(C(F)F)c2)c(C)c1 ZINC000872010534 1137564474 /nfs/dbraw/zinc/56/44/74/1137564474.db2.gz VRSDKQCTWJAQQM-UHFFFAOYSA-N -1 1 342.367 3.527 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000872164285 1137574684 /nfs/dbraw/zinc/57/46/84/1137574684.db2.gz RKVUXVMERZOKEU-LLVKDONJSA-N -1 1 345.399 3.569 20 0 EHADMM C[C@@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)Cc1cccs1 ZINC001137082358 1137621286 /nfs/dbraw/zinc/62/12/86/1137621286.db2.gz XEHSPUJJUQZBOA-LLVKDONJSA-N -1 1 344.411 3.750 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nc(-c3cccs3)ns2)co1 ZINC000875535863 1137634915 /nfs/dbraw/zinc/63/49/15/1137634915.db2.gz ZHHVAKZCCJYSSU-UHFFFAOYSA-N -1 1 334.426 3.804 20 0 EHADMM CS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001137092701 1137636694 /nfs/dbraw/zinc/63/66/94/1137636694.db2.gz DBKZVJKWTUGCSM-WDEREUQCSA-N -1 1 333.375 3.767 20 0 EHADMM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395901 1137650705 /nfs/dbraw/zinc/65/07/05/1137650705.db2.gz RRRUOROJVFOTSJ-GFCCVEGCSA-N -1 1 348.830 3.524 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC[C@H](c2ccccc2)C1 ZINC000876395226 1137650786 /nfs/dbraw/zinc/65/07/86/1137650786.db2.gz XSEUIIREWCTQQP-HNNXBMFYSA-N -1 1 330.815 3.745 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCSC2(CCC2)CC1 ZINC000876397210 1137650820 /nfs/dbraw/zinc/65/08/20/1137650820.db2.gz YFQWNODEMJUQBX-UHFFFAOYSA-N -1 1 340.876 3.617 20 0 EHADMM CCc1cc(C(=O)[N-]c2nnc([C@@H](CC)c3ccccc3)s2)no1 ZINC000888842849 1137791294 /nfs/dbraw/zinc/79/12/94/1137791294.db2.gz NTARIXMQYCVNTP-ZDUSSCGKSA-N -1 1 342.424 3.883 20 0 EHADMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)co1 ZINC000187245383 1137840462 /nfs/dbraw/zinc/84/04/62/1137840462.db2.gz JFFPHJDECIPVJG-CYBMUJFWSA-N -1 1 337.162 3.856 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1ccc(C(F)(F)F)cn1 ZINC000800042842 1137895560 /nfs/dbraw/zinc/89/55/60/1137895560.db2.gz URYNLWBYSUKHFL-BQYQJAHWSA-N -1 1 346.305 3.652 20 0 EHADMM O=C(CCC1CC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000115332843 1137921644 /nfs/dbraw/zinc/92/16/44/1137921644.db2.gz CLWIXSSPTSVHFR-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM Cc1csc(C[C@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)n1 ZINC000886237361 1138062028 /nfs/dbraw/zinc/06/20/28/1138062028.db2.gz BHKMGILWCUBXSF-LLVKDONJSA-N -1 1 336.844 3.515 20 0 EHADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266556 1138062886 /nfs/dbraw/zinc/06/28/86/1138062886.db2.gz PTTVUIDBCDNAON-STQMWFEESA-N -1 1 337.391 3.503 20 0 EHADMM CCCC(=CC(=O)N1CCC[C@H](c2n[n-]c(=S)n2C)C1)CCC ZINC000092414762 1138227701 /nfs/dbraw/zinc/22/77/01/1138227701.db2.gz FEMJNRUKWFOKSW-AWEZNQCLSA-N -1 1 336.505 3.710 20 0 EHADMM CC(C)(C)c1nsc([N-]C(=O)c2sccc2OC(F)F)n1 ZINC000264363780 1138489195 /nfs/dbraw/zinc/48/91/95/1138489195.db2.gz BXUHBDWAEDIXEZ-UHFFFAOYSA-N -1 1 333.385 3.751 20 0 EHADMM O=C(Nc1cccc(OCCc2ccccc2)c1)c1cncc([O-])c1 ZINC000337648646 1138633335 /nfs/dbraw/zinc/63/33/35/1138633335.db2.gz JSPXQXSRCPPDRS-UHFFFAOYSA-N -1 1 334.375 3.661 20 0 EHADMM CCOc1cc(C(=O)NC[C@@H]2CCCC(C)(C)O2)cc(Cl)c1[O-] ZINC000890140053 1139315557 /nfs/dbraw/zinc/31/55/57/1139315557.db2.gz PUIIDTGWNRYLQH-LBPRGKRZSA-N -1 1 341.835 3.522 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000890226867 1139327212 /nfs/dbraw/zinc/32/72/12/1139327212.db2.gz DBDKAZKIEGDJGY-ZDUSSCGKSA-N -1 1 338.432 3.707 20 0 EHADMM CCC[C@H](NCC(=O)Nc1c(C(C)C)cccc1C(C)C)C(=O)[O-] ZINC000185031346 1140132470 /nfs/dbraw/zinc/13/24/70/1140132470.db2.gz TTYFYCCTWYVJJK-INIZCTEOSA-N -1 1 334.460 3.715 20 0 EHADMM CCOc1cc(C(=O)N2CCC[C@@H]2c2cccn2C)cc(Cl)c1[O-] ZINC000186435783 1140203716 /nfs/dbraw/zinc/20/37/16/1140203716.db2.gz PIEVHVNSPYYLLI-OAHLLOKOSA-N -1 1 348.830 3.760 20 0 EHADMM O=C(Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1)c1ccc([O-])cc1F ZINC000191921182 1140494027 /nfs/dbraw/zinc/49/40/27/1140494027.db2.gz OFIZXUMETBIBBF-SWLSCSKDSA-N -1 1 326.371 3.772 20 0 EHADMM CC(C)n1cc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2n1 ZINC000348736354 1141573073 /nfs/dbraw/zinc/57/30/73/1141573073.db2.gz SEHNHJQNILRIBM-UHFFFAOYSA-N -1 1 331.322 3.853 20 0 EHADMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc2[nH]1 ZINC000098068703 219077346 /nfs/dbraw/zinc/07/73/46/219077346.db2.gz RNEKPMFFSYSHGC-UHFFFAOYSA-N -1 1 347.415 3.800 20 0 EHADMM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1ccc(F)cc1 ZINC000028259940 202168480 /nfs/dbraw/zinc/16/84/80/202168480.db2.gz WFCGMTFHAAJZCQ-UHFFFAOYSA-N -1 1 335.400 3.948 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000071977280 203155941 /nfs/dbraw/zinc/15/59/41/203155941.db2.gz HSZNNQSHBSTQDS-UHFFFAOYSA-N -1 1 325.817 3.928 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000071977672 203156231 /nfs/dbraw/zinc/15/62/31/203156231.db2.gz KFFAOTXZRCCURB-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM Cc1cc(C)c([C@@H](C)OC(=O)c2sccc2-c2nn[n-]n2)c(C)c1 ZINC000737244975 598845426 /nfs/dbraw/zinc/84/54/26/598845426.db2.gz AWIYGOKGTOUSTE-GFCCVEGCSA-N -1 1 342.424 3.771 20 0 EHADMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532712156 597069481 /nfs/dbraw/zinc/06/94/81/597069481.db2.gz RPYGMIPYFWELEV-JKSUJKDBSA-N -1 1 346.471 3.632 20 0 EHADMM Cc1ccccc1[C@@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737418476 599262071 /nfs/dbraw/zinc/26/20/71/599262071.db2.gz BDACBUKOWQRIHN-CYBMUJFWSA-N -1 1 330.395 3.896 20 0 EHADMM Cc1ccccc1[C@@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000737418476 599262073 /nfs/dbraw/zinc/26/20/73/599262073.db2.gz BDACBUKOWQRIHN-CYBMUJFWSA-N -1 1 330.395 3.896 20 0 EHADMM c1ccc(SCCNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000738432973 599260443 /nfs/dbraw/zinc/26/04/43/599260443.db2.gz LEERIDCQOPCDKO-UHFFFAOYSA-N -1 1 348.435 3.619 20 0 EHADMM c1ccc(SCCNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000738432973 599260446 /nfs/dbraw/zinc/26/04/46/599260446.db2.gz LEERIDCQOPCDKO-UHFFFAOYSA-N -1 1 348.435 3.619 20 0 EHADMM FC(F)(F)c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822727890 607310912 /nfs/dbraw/zinc/31/09/12/607310912.db2.gz ATJIPGLUWMOPEF-UHFFFAOYSA-N -1 1 325.319 3.559 20 0 EHADMM Fc1cc(F)c(Sc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000737644691 598241051 /nfs/dbraw/zinc/24/10/51/598241051.db2.gz KBXOOJZEZTYWNI-UHFFFAOYSA-N -1 1 326.278 3.574 20 0 EHADMM CS[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821951484 599562591 /nfs/dbraw/zinc/56/25/91/599562591.db2.gz ZDIMHYPUAATNHB-RYUDHWBXSA-N -1 1 340.456 3.501 20 0 EHADMM CS[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821951484 599562593 /nfs/dbraw/zinc/56/25/93/599562593.db2.gz ZDIMHYPUAATNHB-RYUDHWBXSA-N -1 1 340.456 3.501 20 0 EHADMM CCCN(Cc1cccc(C(=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000263488915 599713820 /nfs/dbraw/zinc/71/38/20/599713820.db2.gz QIXMRLSVSAWXMN-HNNXBMFYSA-N -1 1 340.423 3.624 20 0 EHADMM CCCN(Cc1cccc(C(=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000263488916 599714107 /nfs/dbraw/zinc/71/41/07/599714107.db2.gz QIXMRLSVSAWXMN-OAHLLOKOSA-N -1 1 340.423 3.624 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000391000491 599753922 /nfs/dbraw/zinc/75/39/22/599753922.db2.gz NLSNKUWTXJJNEO-AWEZNQCLSA-N -1 1 334.803 3.824 20 0 EHADMM C[C@H](CN(Cc1csc(-c2ccc(F)cc2)n1)C1CC1)C(=O)[O-] ZINC000565308936 599949647 /nfs/dbraw/zinc/94/96/47/599949647.db2.gz DUBWQFBHEUKGLU-LLVKDONJSA-N -1 1 334.416 3.634 20 0 EHADMM C[C@H](CN(Cc1coc(-c2cccc(Cl)c2)n1)C1CC1)C(=O)[O-] ZINC000580440798 599949744 /nfs/dbraw/zinc/94/97/44/599949744.db2.gz RMLOCPQLCKBJGL-LLVKDONJSA-N -1 1 334.803 3.680 20 0 EHADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CC1CCCCC1)CC2 ZINC000568874523 600044085 /nfs/dbraw/zinc/04/40/85/600044085.db2.gz VRRRDSSTSQNFHH-QGZVFWFLSA-N -1 1 347.455 3.658 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736820669 600174119 /nfs/dbraw/zinc/17/41/19/600174119.db2.gz FJRZUBDIPJEQGK-ZRGWGRIASA-N -1 1 325.408 3.735 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1csc(-c3ccc(F)cc3)n1)CC2 ZINC000652479511 600292216 /nfs/dbraw/zinc/29/22/16/600292216.db2.gz XTVANYFKCDRIRR-HNNXBMFYSA-N -1 1 346.427 3.636 20 0 EHADMM COc1ccc(Cl)cc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738012967 600424442 /nfs/dbraw/zinc/42/44/42/600424442.db2.gz CFRPQVRWVZWOSJ-HNNXBMFYSA-N -1 1 340.206 3.918 20 0 EHADMM O=C([O-])CCCOc1ccc(NC(=O)c2c(O)cccc2Cl)cc1 ZINC000739686321 600506623 /nfs/dbraw/zinc/50/66/23/600506623.db2.gz FDQKIIIDRFKPEV-UHFFFAOYSA-N -1 1 349.770 3.542 20 0 EHADMM O=C([O-])[C@H](NCc1csc(Br)c1)c1ccccc1F ZINC000426788882 600737813 /nfs/dbraw/zinc/73/78/13/600737813.db2.gz PYYSURANYABDTF-GFCCVEGCSA-N -1 1 344.205 3.565 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(Br)c1)c1ccccc1F ZINC000354356555 600743930 /nfs/dbraw/zinc/74/39/30/600743930.db2.gz DDTGQZCQGGMFFB-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM O=C([O-])c1cccc(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)c1 ZINC000740224786 600987542 /nfs/dbraw/zinc/98/75/42/600987542.db2.gz AYYJMWXSOSQGTF-UHFFFAOYSA-N -1 1 347.346 3.740 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccc(F)c(C)c2)c(C)c1C(=O)[O-] ZINC000832878288 601370423 /nfs/dbraw/zinc/37/04/23/601370423.db2.gz XGAGPISWJDLRLG-YPMHNXCESA-N -1 1 346.402 3.699 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccc(F)c(C)c2)c(C)c1C(=O)[O-] ZINC000832878285 601370466 /nfs/dbraw/zinc/37/04/66/601370466.db2.gz XGAGPISWJDLRLG-WCQYABFASA-N -1 1 346.402 3.699 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccc(F)c(C)c2)c(C)c1C(=O)[O-] ZINC000832878282 601370556 /nfs/dbraw/zinc/37/05/56/601370556.db2.gz XGAGPISWJDLRLG-DGCLKSJQSA-N -1 1 346.402 3.699 20 0 EHADMM COc1cc(C)c(CN(C)Cc2cc(C(=O)[O-])sc2C)cc1OC ZINC000652379722 601614490 /nfs/dbraw/zinc/61/44/90/601614490.db2.gz GSWFQQHTZZVOAY-UHFFFAOYSA-N -1 1 349.452 3.712 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1F ZINC000563453703 601628407 /nfs/dbraw/zinc/62/84/07/601628407.db2.gz MXCFIMGRYVQGPQ-MRXNPFEDSA-N -1 1 343.354 3.590 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000826055316 601651363 /nfs/dbraw/zinc/65/13/63/601651363.db2.gz YNWZMIPRXJUGNM-SJCJKPOMSA-N -1 1 343.814 3.539 20 0 EHADMM Cc1sc(C(=O)[O-])cc1CSc1nc(-c2ccccc2F)n[nH]1 ZINC000833031195 601670597 /nfs/dbraw/zinc/67/05/97/601670597.db2.gz GIWFPYIANQYLDZ-UHFFFAOYSA-N -1 1 349.412 3.971 20 0 EHADMM c1cc(CN(Cc2ccnc(-c3nnn[n-]3)c2)c2ccccc2)cs1 ZINC000826522379 607521034 /nfs/dbraw/zinc/52/10/34/607521034.db2.gz XRRUKCJGIRXSMJ-UHFFFAOYSA-N -1 1 348.435 3.530 20 0 EHADMM c1cc(CN(Cc2ccnc(-c3nn[n-]n3)c2)c2ccccc2)cs1 ZINC000826522379 607521035 /nfs/dbraw/zinc/52/10/35/607521035.db2.gz XRRUKCJGIRXSMJ-UHFFFAOYSA-N -1 1 348.435 3.530 20 0 EHADMM CN(Cc1ccsc1C(=O)[O-])Cc1ccccc1N1CCCC1 ZINC000830856073 601805781 /nfs/dbraw/zinc/80/57/81/601805781.db2.gz HGTGBGOHQSGNHB-UHFFFAOYSA-N -1 1 330.453 3.679 20 0 EHADMM Cc1ccc(C=Cc2n[nH]c(SCc3ccsc3C(=O)[O-])n2)o1 ZINC000832927734 601808917 /nfs/dbraw/zinc/80/89/17/601808917.db2.gz ATNAXXYJUFPWIC-PLNGDYQASA-N -1 1 347.421 3.929 20 0 EHADMM Cc1cccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000832967333 601972973 /nfs/dbraw/zinc/97/29/73/601972973.db2.gz ZPXVNWRWMIDJNS-CQSZACIVSA-N -1 1 325.195 3.612 20 0 EHADMM Cc1cccnc1CN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832983510 601974998 /nfs/dbraw/zinc/97/49/98/601974998.db2.gz IVNUNNZLQWDXFE-CQSZACIVSA-N -1 1 325.195 3.612 20 0 EHADMM C[C@@H](CN(Cc1ccn(C2CCCC2)n1)Cc1ccccc1)C(=O)[O-] ZINC000584118646 602016562 /nfs/dbraw/zinc/01/65/62/602016562.db2.gz FYDFTXKOTPHFIM-INIZCTEOSA-N -1 1 341.455 3.721 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1cc(C(=O)[O-])oc1C)CCC2 ZINC000568064729 602055927 /nfs/dbraw/zinc/05/59/27/602055927.db2.gz ONQDIGLTQRNYNJ-ZDUSSCGKSA-N -1 1 334.441 3.815 20 0 EHADMM O=C([O-])c1sccc1CN1CCC[C@H]1CC(=O)c1cccs1 ZINC000833097367 602238686 /nfs/dbraw/zinc/23/86/86/602238686.db2.gz LYTWLRKSMRPNSV-LBPRGKRZSA-N -1 1 335.450 3.745 20 0 EHADMM COc1ccc2c(c1)C[N@H+](C/C=C(\C)C(=O)[O-])[C@@H](c1ccccc1)C2 ZINC000832493797 602347893 /nfs/dbraw/zinc/34/78/93/602347893.db2.gz UTBNLJXTSURWJB-XMUSRXTASA-N -1 1 337.419 3.826 20 0 EHADMM COc1ccc2c(c1)CN(C/C=C(\C)C(=O)[O-])[C@@H](c1ccccc1)C2 ZINC000832493797 602347897 /nfs/dbraw/zinc/34/78/97/602347897.db2.gz UTBNLJXTSURWJB-XMUSRXTASA-N -1 1 337.419 3.826 20 0 EHADMM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000739030915 602730534 /nfs/dbraw/zinc/73/05/34/602730534.db2.gz HCFNUOJXEZMTAX-LBPRGKRZSA-N -1 1 334.366 3.626 20 0 EHADMM O=C([O-])Nc1ccc(CNCc2ccc(OC3CCCC3)cc2)cn1 ZINC000832841486 603551159 /nfs/dbraw/zinc/55/11/59/603551159.db2.gz CTDPJDDIQOJCBJ-UHFFFAOYSA-N -1 1 341.411 3.783 20 0 EHADMM CC1(C)C[C@H](NCc2ccc(NC(=O)[O-])nc2)c2ccccc2O1 ZINC000825707933 604526227 /nfs/dbraw/zinc/52/62/27/604526227.db2.gz RZBGXVPQBLHEJA-AWEZNQCLSA-N -1 1 327.384 3.564 20 0 EHADMM COc1ccccc1[C@H](C)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829592022 605119614 /nfs/dbraw/zinc/11/96/14/605119614.db2.gz KOORJLXSNBNZIQ-KGLIPLIRSA-N -1 1 328.412 3.875 20 0 EHADMM CC(C)(NCC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000833460479 605141045 /nfs/dbraw/zinc/14/10/45/605141045.db2.gz GAJVINLGAULOST-UHFFFAOYSA-N -1 1 346.814 3.502 20 0 EHADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCOc3ccc(F)cc32)c2ccccc21 ZINC000834156357 605801446 /nfs/dbraw/zinc/80/14/46/605801446.db2.gz BEESFLOWWYFNPN-IXDOHACOSA-N -1 1 342.370 3.693 20 0 EHADMM Cc1cccc([C@H]2CCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822299653 606458826 /nfs/dbraw/zinc/45/88/26/606458826.db2.gz QDJYJFQOPQYOJO-CQSZACIVSA-N -1 1 340.818 3.565 20 0 EHADMM Cc1cccc([C@H]2CCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822299653 606458828 /nfs/dbraw/zinc/45/88/28/606458828.db2.gz QDJYJFQOPQYOJO-CQSZACIVSA-N -1 1 340.818 3.565 20 0 EHADMM CCCC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC000825266904 607898994 /nfs/dbraw/zinc/89/89/94/607898994.db2.gz IISUNDDRMKBRNR-OAHLLOKOSA-N -1 1 338.415 3.614 20 0 EHADMM CCCC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC000825266904 607898995 /nfs/dbraw/zinc/89/89/95/607898995.db2.gz IISUNDDRMKBRNR-OAHLLOKOSA-N -1 1 338.415 3.614 20 0 EHADMM CSCc1cccc(Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826229172 608184581 /nfs/dbraw/zinc/18/45/81/608184581.db2.gz SFLXDFPWONSKBV-UHFFFAOYSA-N -1 1 338.849 3.583 20 0 EHADMM CSCc1cccc(Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826229172 608184583 /nfs/dbraw/zinc/18/45/83/608184583.db2.gz SFLXDFPWONSKBV-UHFFFAOYSA-N -1 1 338.849 3.583 20 0 EHADMM C[C@H](CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)C1CC1 ZINC000824385328 608349940 /nfs/dbraw/zinc/34/99/40/608349940.db2.gz QPPTZQCQQUHWAW-SECBINFHSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@H](CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)C1CC1 ZINC000824385328 608349942 /nfs/dbraw/zinc/34/99/42/608349942.db2.gz QPPTZQCQQUHWAW-SECBINFHSA-N -1 1 333.461 3.600 20 0 EHADMM CC(C)(C)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000819950276 945318834 /nfs/dbraw/zinc/31/88/34/945318834.db2.gz HKZLULVEKTXTSX-UHFFFAOYSA-N -1 1 329.429 3.718 20 0 EHADMM CC(C)c1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC001574419656 948786876 /nfs/dbraw/zinc/78/68/76/948786876.db2.gz ILWFBJXSWQIMIS-UHFFFAOYSA-N -1 1 328.807 3.651 20 0 EHADMM CC(C)c1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC001574419656 948786881 /nfs/dbraw/zinc/78/68/81/948786881.db2.gz ILWFBJXSWQIMIS-UHFFFAOYSA-N -1 1 328.807 3.651 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000043585447 948891175 /nfs/dbraw/zinc/89/11/75/948891175.db2.gz NTQNWDFOMCDRGB-JTQLQIEISA-N -1 1 332.263 3.587 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(Br)c2)C1 ZINC000062877421 948964453 /nfs/dbraw/zinc/96/44/53/948964453.db2.gz VZVJPFHHYZPTMS-ZDUSSCGKSA-N -1 1 332.263 3.587 20 0 EHADMM O=C([O-])CCCN1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000262631973 950145388 /nfs/dbraw/zinc/14/53/88/950145388.db2.gz WPHCODBRMDWQJX-ZDUSSCGKSA-N -1 1 330.197 3.590 20 0 EHADMM O=C([O-])c1ccc(CNCc2cccc(OCc3ccccc3)c2)o1 ZINC000385631593 972005982 /nfs/dbraw/zinc/00/59/82/972005982.db2.gz SLHFSLSNAIJRIF-UHFFFAOYSA-N -1 1 337.375 3.847 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC000391070908 972315617 /nfs/dbraw/zinc/31/56/17/972315617.db2.gz VNYSVGMEKFYAFG-UHFFFAOYSA-N -1 1 331.334 3.662 20 0 EHADMM CC1(C)CCCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000226731803 959900319 /nfs/dbraw/zinc/90/03/19/959900319.db2.gz CFRMVYSNXNAAPE-UHFFFAOYSA-N -1 1 326.234 3.769 20 0 EHADMM Cc1ccc([C@H](C)NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001574359523 961017362 /nfs/dbraw/zinc/01/73/62/961017362.db2.gz LSVFZCVBXZUAJU-RDJZCZTQSA-N -1 1 342.439 3.740 20 0 EHADMM COCCOc1ccc(C#N)cc1NCc1cccc(Cl)c1[O-] ZINC000183224321 1125478051 /nfs/dbraw/zinc/47/80/51/1125478051.db2.gz QMQSDRZNMJGIOZ-UHFFFAOYSA-N -1 1 332.787 3.555 20 0 EHADMM O=C([O-])[C@@H]1CN(C/C=C\c2ccc(F)cc2F)Cc2ccccc21 ZINC001574660799 962486210 /nfs/dbraw/zinc/48/62/10/962486210.db2.gz AVALEVZKKQETIC-MAVJXHJTSA-N -1 1 329.346 3.662 20 0 EHADMM Cc1ccc2nc(-c3ccccc3NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)[nH]c2c1 ZINC001349954580 962506075 /nfs/dbraw/zinc/50/60/75/962506075.db2.gz RVEJUJZKIHHLFO-BETUJISGSA-N -1 1 349.390 3.588 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000263561686 962731412 /nfs/dbraw/zinc/73/14/12/962731412.db2.gz CGUJXVNCYAVNHS-OAHLLOKOSA-N -1 1 331.799 3.692 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccsc2Br)C1 ZINC000388746229 968157996 /nfs/dbraw/zinc/15/79/96/968157996.db2.gz MCLVVJYXXVSRLN-CYBMUJFWSA-N -1 1 332.263 3.587 20 0 EHADMM C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603290026 972542795 /nfs/dbraw/zinc/54/27/95/972542795.db2.gz ARILVJBWHPRSPK-NWDGAFQWSA-N -1 1 349.431 3.592 20 0 EHADMM Cc1cccc([C@@H](NCc2cccc(F)c2OC(F)F)C(=O)[O-])c1 ZINC001605328790 973187811 /nfs/dbraw/zinc/18/78/11/973187811.db2.gz DKVHTPUBHSVSPM-CQSZACIVSA-N -1 1 339.313 3.651 20 0 EHADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1F ZINC000426752361 974046390 /nfs/dbraw/zinc/04/63/90/974046390.db2.gz CJYUZJRYAOOKQW-HNNXBMFYSA-N -1 1 341.741 3.542 20 0 EHADMM COc1ccc(-c2nc(CN3CCC[C@@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000519827782 974336353 /nfs/dbraw/zinc/33/63/53/974336353.db2.gz NNYFRMJDQRELGB-GOSISDBHSA-N -1 1 346.452 3.505 20 0 EHADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCC(C)C)CC2 ZINC000571650004 974733521 /nfs/dbraw/zinc/73/35/21/974733521.db2.gz ZXVWEERBUGADIF-MRXNPFEDSA-N -1 1 335.444 3.514 20 0 EHADMM O=C([O-])c1cnc(C2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000629368770 975086147 /nfs/dbraw/zinc/08/61/47/975086147.db2.gz UHOKJLKCLHQVEK-UHFFFAOYSA-N -1 1 336.844 3.874 20 0 EHADMM Cc1cc(CN(C)Cc2cccc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000652397933 975521009 /nfs/dbraw/zinc/52/10/09/975521009.db2.gz FMNHXCNIPIUZLA-UHFFFAOYSA-N -1 1 327.302 3.937 20 0 EHADMM CCO[C@@H](C)c1nc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000652498690 975562544 /nfs/dbraw/zinc/56/25/44/975562544.db2.gz PUZRUCCRJIGCNG-STQMWFEESA-N -1 1 340.489 3.563 20 0 EHADMM CO[C@H](CN1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790724 975878603 /nfs/dbraw/zinc/87/86/03/975878603.db2.gz HEMIOEFMYIGWBV-QGZVFWFLSA-N -1 1 331.799 3.742 20 0 EHADMM O=C([O-])c1cccc(CNCc2cc(C(F)(F)F)ccc2F)c1 ZINC000683170611 976078490 /nfs/dbraw/zinc/07/84/90/976078490.db2.gz KDFSOYDUWGHHQV-UHFFFAOYSA-N -1 1 327.277 3.833 20 0 EHADMM O=C([O-])CCCN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001595048028 979263062 /nfs/dbraw/zinc/26/30/62/979263062.db2.gz CNWKIOBKWNLFOR-MRXNPFEDSA-N -1 1 331.391 3.608 20 0 EHADMM C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC(C)(C)O1 ZINC000859783295 979630057 /nfs/dbraw/zinc/63/00/57/979630057.db2.gz PTNPHBZTINNVLL-CYBMUJFWSA-N -1 1 329.396 3.644 20 0 EHADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@H](C)C(C)(C)C)CC2 ZINC000872159262 980043010 /nfs/dbraw/zinc/04/30/10/980043010.db2.gz CASVNDWMRXDXFW-BBRMVZONSA-N -1 1 349.471 3.760 20 0 EHADMM CC[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccccc1OC ZINC001595280727 980325845 /nfs/dbraw/zinc/32/58/45/980325845.db2.gz BITUMXLEEQSFNT-RHSMWYFYSA-N -1 1 343.423 3.961 20 0 EHADMM Cc1c(CN[C@@H](C(=O)[O-])c2cccs2)sc2nc(C)nc(C)c12 ZINC000901598342 980400283 /nfs/dbraw/zinc/40/02/83/980400283.db2.gz OBVIXSWTQKKPOB-CQSZACIVSA-N -1 1 347.465 3.594 20 0 EHADMM CC[C@@](NCc1ccc(Cl)nc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595299647 980429528 /nfs/dbraw/zinc/42/95/28/980429528.db2.gz AYADXUPAGFUDQV-INIZCTEOSA-N -1 1 339.222 3.868 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CNCc1cccc(OCC(F)(F)F)c1 ZINC000902103600 980735949 /nfs/dbraw/zinc/73/59/49/980735949.db2.gz QSKWEQSYDFAIHE-UHFFFAOYSA-N -1 1 343.301 3.517 20 0 EHADMM CC[C@@H](C)C(=O)Nc1cccc(CNCc2csc(C(=O)[O-])c2)c1 ZINC000902145574 980756047 /nfs/dbraw/zinc/75/60/47/980756047.db2.gz ZDPUPSVKUGLLPO-GFCCVEGCSA-N -1 1 346.452 3.721 20 0 EHADMM O=C([O-])c1cc(CN2CCCCC[C@@H]2/C=C\c2ccccc2)on1 ZINC000902525978 980921625 /nfs/dbraw/zinc/92/16/25/980921625.db2.gz PEYDMIOZDFYKSF-BLIJAFNYSA-N -1 1 326.396 3.831 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CCc2ccc(F)cc2[C@H](C)C1 ZINC000903602039 980983478 /nfs/dbraw/zinc/98/34/78/980983478.db2.gz LZSHIRZXYDTBCP-CYBMUJFWSA-N -1 1 343.398 3.694 20 0 EHADMM Cc1cc(C)nc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000903916115 981037333 /nfs/dbraw/zinc/03/73/33/981037333.db2.gz IIFUKFLCQXVVMH-HNNXBMFYSA-N -1 1 338.329 3.633 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000909295768 981463604 /nfs/dbraw/zinc/46/36/04/981463604.db2.gz YDEHPRYNVKWVBS-GOSISDBHSA-N -1 1 340.423 3.715 20 0 EHADMM CCCCCCN(C)CC(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001595708838 982287698 /nfs/dbraw/zinc/28/76/98/982287698.db2.gz IMYGKZGUGHNGFR-UHFFFAOYSA-N -1 1 346.471 3.566 20 0 EHADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)co1 ZINC000029433311 1014840752 /nfs/dbraw/zinc/84/07/52/1014840752.db2.gz HRESMSMHAZMGAH-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCC(CC(=O)[O-])CC1 ZINC001595013238 982944877 /nfs/dbraw/zinc/94/48/77/982944877.db2.gz CSSVQOBSIOUCNF-CABCVRRESA-N -1 1 346.471 3.714 20 0 EHADMM Cc1[nH]c(C(=O)CN2CC[C@H](C)[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599944787 985507577 /nfs/dbraw/zinc/50/75/77/985507577.db2.gz PDNRMQYXDONIMB-HXPMCKFVSA-N -1 1 340.423 3.596 20 0 EHADMM Cc1ccc(CCNC(=O)c2ccc3ccc(O)cc3c2[O-])c(C)c1 ZINC001625803614 1015152038 /nfs/dbraw/zinc/15/20/38/1015152038.db2.gz XZTRCVWQSKKBJL-UHFFFAOYSA-N -1 1 335.403 3.840 20 0 EHADMM C[C@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001594499853 985669412 /nfs/dbraw/zinc/66/94/12/985669412.db2.gz FXPUDMZVAGNTBC-YVEFUNNKSA-N -1 1 331.799 3.749 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)Cc2ccccc2O1 ZINC001594501991 985689769 /nfs/dbraw/zinc/68/97/69/985689769.db2.gz QYYFJEJBRQAOHK-PXAZEXFGSA-N -1 1 331.799 3.749 20 0 EHADMM CCOCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001596963930 986163436 /nfs/dbraw/zinc/16/34/36/986163436.db2.gz AGTMPXMNUIDZKK-KRWDZBQOSA-N -1 1 333.815 3.792 20 0 EHADMM C[C@@H]1CN(Cc2oc(Br)cc2C(=O)[O-])CC(C)(C)C1 ZINC001594548598 986240310 /nfs/dbraw/zinc/24/03/10/986240310.db2.gz VDTMTTZZMNNFBE-VIFPVBQESA-N -1 1 330.222 3.608 20 0 EHADMM CC[C@@H](N[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001597291714 987381621 /nfs/dbraw/zinc/38/16/21/987381621.db2.gz SZYVVEOBZCUJTR-IUODEOHRSA-N -1 1 346.402 3.781 20 0 EHADMM C[C@@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccc(F)cc1F ZINC001599841821 988852079 /nfs/dbraw/zinc/85/20/79/988852079.db2.gz OCRRWIMJUDJASO-GFCCVEGCSA-N -1 1 331.362 3.932 20 0 EHADMM C[N@@H+](Cc1coc2ccccc12)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598523920 992694387 /nfs/dbraw/zinc/69/43/87/992694387.db2.gz MUALPYLPOFRFKR-UHFFFAOYSA-N -1 1 325.364 3.528 20 0 EHADMM C[C@@H](N[C@H](c1ccccc1)C1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001593210771 994254435 /nfs/dbraw/zinc/25/44/35/994254435.db2.gz RTQPPVGOEPBGCH-MLGOLLRUSA-N -1 1 346.452 3.660 20 0 EHADMM C[C@@H](NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593246268 994449276 /nfs/dbraw/zinc/44/92/76/994449276.db2.gz JKTGGQNXJKIAMT-OQPBUACISA-N -1 1 344.194 3.669 20 0 EHADMM Cc1ccc(CCC(=O)Nc2cc(C)cc(Br)c2[O-])o1 ZINC000182930027 1015863047 /nfs/dbraw/zinc/86/30/47/1015863047.db2.gz NNYKVNGLSGTMJB-UHFFFAOYSA-N -1 1 338.201 3.936 20 0 EHADMM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc(Cl)s1 ZINC000180291169 1015899004 /nfs/dbraw/zinc/89/90/04/1015899004.db2.gz LYANOOOZCWTQON-UHFFFAOYSA-N -1 1 343.644 3.904 20 0 EHADMM CC(C)(C)Cc1nc2cc(NC(=O)c3cncc([O-])c3)ccc2o1 ZINC000339935361 1015988981 /nfs/dbraw/zinc/98/89/81/1015988981.db2.gz RHGLEKUYQJFINS-UHFFFAOYSA-N -1 1 325.368 3.769 20 0 EHADMM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1ccc(C(=O)[O-])n1C ZINC001593694669 996152057 /nfs/dbraw/zinc/15/20/57/996152057.db2.gz YPVDGOABXBYXTJ-NSHDSACASA-N -1 1 340.345 3.935 20 0 EHADMM CC1(C)C[C@@H](N(Cc2cc(C(=O)[O-])co2)Cc2ccccc2)CO1 ZINC001593854973 996639483 /nfs/dbraw/zinc/63/94/83/996639483.db2.gz UAJZALBJQWSINQ-MRXNPFEDSA-N -1 1 329.396 3.548 20 0 EHADMM CCOc1cc(-c2nc(-c3cccc(C)n3)no2)cc(Cl)c1[O-] ZINC000443216832 1016057686 /nfs/dbraw/zinc/05/76/86/1016057686.db2.gz OHRQARZMCWMQOP-UHFFFAOYSA-N -1 1 331.759 3.865 20 0 EHADMM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2F)CC[C@H]1C(F)(F)F ZINC001593942925 996975155 /nfs/dbraw/zinc/97/51/55/996975155.db2.gz VOGMSWSFFIZXNA-CYBMUJFWSA-N -1 1 333.325 3.934 20 0 EHADMM COC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC001599186320 997032116 /nfs/dbraw/zinc/03/21/16/997032116.db2.gz IEAOPZZLSCQVJE-CQSZACIVSA-N -1 1 339.844 3.919 20 0 EHADMM CO[C@@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC001599117012 997672526 /nfs/dbraw/zinc/67/25/26/997672526.db2.gz USNQLXDCOVWUMJ-MRXNPFEDSA-N -1 1 346.452 3.509 20 0 EHADMM COc1cccc(Cc2nnc([N-]C(=O)c3sccc3F)s2)c1 ZINC000340035761 1016152636 /nfs/dbraw/zinc/15/26/36/1016152636.db2.gz QHRZAJMBINDZND-UHFFFAOYSA-N -1 1 349.412 3.590 20 0 EHADMM COc1ccc(C2CC2)cc1CN[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001599539053 997799659 /nfs/dbraw/zinc/79/96/59/997799659.db2.gz LVKMZTGRNPVKNH-GFCCVEGCSA-N -1 1 326.396 3.517 20 0 EHADMM COCCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1ccc(C)c(C)c1 ZINC001599238436 997989878 /nfs/dbraw/zinc/98/98/78/997989878.db2.gz NGMJOCZXLMAYHH-UHFFFAOYSA-N -1 1 331.412 3.552 20 0 EHADMM C[C@@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC001594426345 999593513 /nfs/dbraw/zinc/59/35/13/999593513.db2.gz JOIFHVSPWPEMFL-YJYMSZOUSA-N -1 1 335.407 3.844 20 0 EHADMM CN(Cc1ccc(Br)cc1)C(=O)c1ccc([O-])cc1F ZINC000181042025 1016913846 /nfs/dbraw/zinc/91/38/46/1016913846.db2.gz OEOBGCJZZRREGD-UHFFFAOYSA-N -1 1 338.176 3.566 20 0 EHADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)c(OC)c1 ZINC000181087088 1016912534 /nfs/dbraw/zinc/91/25/34/1016912534.db2.gz RMMBEXUQIOPIJG-KRWDZBQOSA-N -1 1 345.370 3.526 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccnc(SCC(F)(F)F)c1 ZINC000340327423 1016949432 /nfs/dbraw/zinc/94/94/32/1016949432.db2.gz LMDDNAAGQHNYMN-UHFFFAOYSA-N -1 1 346.305 3.833 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2cccc(Br)n2)n1 ZINC000311845450 1017040625 /nfs/dbraw/zinc/04/06/25/1017040625.db2.gz ROFUTZWJSZMSSV-UHFFFAOYSA-N -1 1 340.246 3.585 20 0 EHADMM CCN(C(=O)[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000188140726 1017062171 /nfs/dbraw/zinc/06/21/71/1017062171.db2.gz KZWVXYQMKDMRHH-LBPRGKRZSA-N -1 1 343.452 3.593 20 0 EHADMM CC(C)c1nocc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000528465079 1032332091 /nfs/dbraw/zinc/33/20/91/1032332091.db2.gz MCFOPLABTCJLSM-UHFFFAOYSA-N -1 1 346.387 3.632 20 0 EHADMM O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000195215338 1032389636 /nfs/dbraw/zinc/38/96/36/1032389636.db2.gz ATMYVUSWCWITQO-UHFFFAOYSA-N -1 1 348.358 3.602 20 0 EHADMM CCc1onc(C)c1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000089392965 1032527559 /nfs/dbraw/zinc/52/75/59/1032527559.db2.gz BHPLQVAKNTYEAN-UHFFFAOYSA-N -1 1 345.143 3.838 20 0 EHADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)Oc1ccc(Cl)cc1 ZINC000537211247 1032563910 /nfs/dbraw/zinc/56/39/10/1032563910.db2.gz RWSWHKIOIHGOBM-VIFPVBQESA-N -1 1 341.741 3.521 20 0 EHADMM Cc1cnc(C(=O)N(C)C2c3ccccc3-c3ccccc32)c([O-])c1 ZINC000460124629 1032602487 /nfs/dbraw/zinc/60/24/87/1032602487.db2.gz LLQKSXSMMIUKJL-UHFFFAOYSA-N -1 1 330.387 3.938 20 0 EHADMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1nccs1 ZINC000683535547 1017271022 /nfs/dbraw/zinc/27/10/22/1017271022.db2.gz XPNUAPPQIANHBF-UHFFFAOYSA-N -1 1 346.481 3.715 20 0 EHADMM CSc1ccc(-c2nsc([N-]C(=O)c3nccs3)n2)cc1 ZINC000683557388 1017354872 /nfs/dbraw/zinc/35/48/72/1017354872.db2.gz RBFMBENQACEPAH-UHFFFAOYSA-N -1 1 334.451 3.636 20 0 EHADMM Cc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)[n-]c(=O)c1C ZINC000537413709 1032714092 /nfs/dbraw/zinc/71/40/92/1032714092.db2.gz WBBCCZXYFWDNCA-UHFFFAOYSA-N -1 1 348.815 3.795 20 0 EHADMM CNC(=O)[C@@H]1CCCc2sc(/C=C\c3cccc([O-])c3Cl)nc21 ZINC000656105107 1018538393 /nfs/dbraw/zinc/53/83/93/1018538393.db2.gz JYRWVXOFCUZDNU-TYBABMIJSA-N -1 1 348.855 3.838 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000580156480 1018719183 /nfs/dbraw/zinc/71/91/83/1018719183.db2.gz HDUFJHPTQBCMNG-UHFFFAOYSA-N -1 1 329.421 3.958 20 0 EHADMM CC(C)(C)OC(=O)c1ccsc1[N-]C(=O)c1ocnc1C(F)F ZINC000602308872 1032800853 /nfs/dbraw/zinc/80/08/53/1032800853.db2.gz MWLRTKOEUVNBRS-UHFFFAOYSA-N -1 1 344.339 3.881 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000433522852 1019051851 /nfs/dbraw/zinc/05/18/51/1019051851.db2.gz WWZKXZKUAMUXNK-UHFFFAOYSA-N -1 1 345.342 3.790 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000055598515 1019269844 /nfs/dbraw/zinc/26/98/44/1019269844.db2.gz KZTDHSHTUFHUMT-UHFFFAOYSA-N -1 1 327.352 3.706 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(N2CCCC2=O)ccc1Cl ZINC000340685396 1019310454 /nfs/dbraw/zinc/31/04/54/1019310454.db2.gz WGRCDNFKEVRPNJ-UHFFFAOYSA-N -1 1 348.761 3.564 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC000171339014 1032838395 /nfs/dbraw/zinc/83/83/95/1032838395.db2.gz XXBYUQAPZCSFMA-UHFFFAOYSA-N -1 1 349.452 3.559 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2Br)C1 ZINC000062877530 1032884823 /nfs/dbraw/zinc/88/48/23/1032884823.db2.gz IAGGJKMIPYBXEA-OAHLLOKOSA-N -1 1 344.224 3.665 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1Br ZINC000263461967 1020398120 /nfs/dbraw/zinc/39/81/20/1020398120.db2.gz BYHNWWPHOIUCHQ-MWLCHTKSSA-N -1 1 346.652 3.788 20 0 EHADMM Cc1ccccc1-c1ccc(CN(Cc2n[nH]c(=O)[n-]2)C(C)C)s1 ZINC000340943040 1020654619 /nfs/dbraw/zinc/65/46/19/1020654619.db2.gz SMZXAAHPSJUDTP-UHFFFAOYSA-N -1 1 342.468 3.958 20 0 EHADMM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c(C)c1 ZINC000656573982 1020936902 /nfs/dbraw/zinc/93/69/02/1020936902.db2.gz RVIKINRASPNAHZ-SFHVURJKSA-N -1 1 349.377 3.978 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000439118622 1021164378 /nfs/dbraw/zinc/16/43/78/1021164378.db2.gz MFFCBQLWDMTKGW-ZYHUDNBSSA-N -1 1 345.374 3.581 20 0 EHADMM CC(C)(C)Oc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)nc1 ZINC000436787920 1021230206 /nfs/dbraw/zinc/23/02/06/1021230206.db2.gz RMYWIRJCUQAORA-UHFFFAOYSA-N -1 1 329.331 3.821 20 0 EHADMM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656738575 1021232823 /nfs/dbraw/zinc/23/28/23/1021232823.db2.gz ZHSANRVUNZSDGK-UHFFFAOYSA-N -1 1 342.823 3.687 20 0 EHADMM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(F)cc1[O-] ZINC000436814123 1021258594 /nfs/dbraw/zinc/25/85/94/1021258594.db2.gz ROZHMPDMLOIZDU-LLVKDONJSA-N -1 1 342.374 3.808 20 0 EHADMM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000436829755 1021261345 /nfs/dbraw/zinc/26/13/45/1021261345.db2.gz MQXVLAUBYPFRMH-PXAZEXFGSA-N -1 1 329.371 3.763 20 0 EHADMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(OC)cc1 ZINC000436823267 1021273102 /nfs/dbraw/zinc/27/31/02/1021273102.db2.gz UCCQMAAJXKJIPM-HNNXBMFYSA-N -1 1 349.814 3.944 20 0 EHADMM CCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000427283455 1021277327 /nfs/dbraw/zinc/27/73/27/1021277327.db2.gz XQYZSPLUHAZEQP-UHFFFAOYSA-N -1 1 341.782 3.827 20 0 EHADMM COc1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)c([O-])c1 ZINC000436840582 1021284892 /nfs/dbraw/zinc/28/48/92/1021284892.db2.gz PLYDDBPNCMEJMH-UHFFFAOYSA-N -1 1 326.377 3.777 20 0 EHADMM CC(C)Oc1ccccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656766418 1021300327 /nfs/dbraw/zinc/30/03/27/1021300327.db2.gz RMSZUMUEXGKCIG-OKZBNKHCSA-N -1 1 331.456 3.939 20 0 EHADMM COC(C)(C)CS(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000439256980 1021303258 /nfs/dbraw/zinc/30/32/58/1021303258.db2.gz ITTQACRODXXCFV-UHFFFAOYSA-N -1 1 325.455 3.582 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(Cc4ccccc4)[nH]n3)n2)c(F)c1 ZINC000436876049 1021319392 /nfs/dbraw/zinc/31/93/92/1021319392.db2.gz WLOWXEXOFSNYLB-UHFFFAOYSA-N -1 1 336.326 3.562 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccc(C(F)(F)F)cn2)no1 ZINC000436893439 1021325982 /nfs/dbraw/zinc/32/59/82/1021325982.db2.gz BAPOEJBBTSGUCV-UHFFFAOYSA-N -1 1 339.248 3.586 20 0 EHADMM CC(=O)Nc1ccc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436879429 1021330502 /nfs/dbraw/zinc/33/05/02/1021330502.db2.gz NLXLOBOQDPHBQV-UHFFFAOYSA-N -1 1 327.315 3.515 20 0 EHADMM [O-]c1ccc(-c2noc(C3(Cc4ccccc4F)CC3)n2)cc1F ZINC000436881846 1021332347 /nfs/dbraw/zinc/33/23/47/1021332347.db2.gz YNHCFCPJRFIMTP-UHFFFAOYSA-N -1 1 328.318 3.995 20 0 EHADMM COc1cccc(C2(c3noc(-c4ccc([O-])cc4F)n3)CC2)c1 ZINC000436887113 1021338262 /nfs/dbraw/zinc/33/82/62/1021338262.db2.gz OWFJNMPICUSAHN-UHFFFAOYSA-N -1 1 326.327 3.670 20 0 EHADMM CC(C)CCOc1ccccc1CNC(=O)c1ccc([O-])cc1F ZINC000436891046 1021343298 /nfs/dbraw/zinc/34/32/98/1021343298.db2.gz WKHSFZDZZXFCOY-UHFFFAOYSA-N -1 1 331.387 3.886 20 0 EHADMM COc1ccc(-c2nc(-c3ccccc3OC(F)F)no2)c([O-])c1 ZINC000436895906 1021357924 /nfs/dbraw/zinc/35/79/24/1021357924.db2.gz WCRHWPXPXVEXJQ-UHFFFAOYSA-N -1 1 334.278 3.719 20 0 EHADMM NC(=O)Nc1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000436895838 1021359518 /nfs/dbraw/zinc/35/95/18/1021359518.db2.gz VVWXOXKWFVRSQN-UHFFFAOYSA-N -1 1 346.346 3.753 20 0 EHADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(Cl)cc1 ZINC000436915961 1021371331 /nfs/dbraw/zinc/37/13/31/1021371331.db2.gz RBAIYEWVNMBKBV-UHFFFAOYSA-N -1 1 349.177 3.736 20 0 EHADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(Cl)cc1 ZINC000436915961 1021371346 /nfs/dbraw/zinc/37/13/46/1021371346.db2.gz RBAIYEWVNMBKBV-UHFFFAOYSA-N -1 1 349.177 3.736 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000436924245 1021382081 /nfs/dbraw/zinc/38/20/81/1021382081.db2.gz CABPMXNDNUEWLY-IBGZPJMESA-N -1 1 343.810 3.656 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(OC3CCCC3)nc2)no1 ZINC000436926603 1021387358 /nfs/dbraw/zinc/38/73/58/1021387358.db2.gz KWDJJAXVZIFPSC-UHFFFAOYSA-N -1 1 341.342 3.965 20 0 EHADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897613811 1032976221 /nfs/dbraw/zinc/97/62/21/1032976221.db2.gz RKBIPMXPEJEIRV-OTYXRUKQSA-N -1 1 339.313 3.664 20 0 EHADMM CCO[C@H]1C[C@H](NC(=O)c2ccc3ccccc3c2[O-])C12CCC2 ZINC000436940800 1021402092 /nfs/dbraw/zinc/40/20/92/1021402092.db2.gz YEJYRODDGMRMMF-IRXDYDNUSA-N -1 1 325.408 3.623 20 0 EHADMM [O-]c1c(-c2nc(Cn3cnc4ccccc43)no2)ccc2ccccc21 ZINC000436952997 1021419782 /nfs/dbraw/zinc/41/97/82/1021419782.db2.gz ZDBZRIZCYOVTGN-UHFFFAOYSA-N -1 1 342.358 3.993 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(Cl)cc2OC(F)F)c([O-])c1 ZINC000436959737 1021422666 /nfs/dbraw/zinc/42/26/66/1021422666.db2.gz NYARXXHKVUCKCD-UHFFFAOYSA-N -1 1 343.713 3.908 20 0 EHADMM COC(C)(C)c1nc(C)c(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000436957631 1021423237 /nfs/dbraw/zinc/42/32/37/1021423237.db2.gz ZEUFMHFOGFCNOE-UHFFFAOYSA-N -1 1 349.387 3.895 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2cnn(CC(C)C)c2C)c([O-])c1 ZINC000436977313 1021431739 /nfs/dbraw/zinc/43/17/39/1021431739.db2.gz DCRIDLSQMZPAFG-UHFFFAOYSA-N -1 1 345.443 3.984 20 0 EHADMM O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc(Cl)cc1[O-] ZINC000436988451 1021440813 /nfs/dbraw/zinc/44/08/13/1021440813.db2.gz LGLHHPCIMOHDAD-UHFFFAOYSA-N -1 1 332.762 3.639 20 0 EHADMM CCCN(CC(=O)OC(C)(C)C)C(=O)c1cc2ccccc2cc1[O-] ZINC000436989914 1021444288 /nfs/dbraw/zinc/44/42/88/1021444288.db2.gz NOCSKWSAOWROJJ-UHFFFAOYSA-N -1 1 343.423 3.739 20 0 EHADMM COc1ccc(C)cc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506583910 1021455851 /nfs/dbraw/zinc/45/58/51/1021455851.db2.gz MVISZFKIJUJNHT-UHFFFAOYSA-N -1 1 339.844 3.641 20 0 EHADMM Cc1ccccc1[C@H]1CN(CC[C@H](C(=O)[O-])c2ccccc2)CCO1 ZINC000581731569 1021646851 /nfs/dbraw/zinc/64/68/51/1021646851.db2.gz GLLKLFWGYLAMNC-VQTJNVASSA-N -1 1 339.435 3.627 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1 ZINC000437308840 1021732063 /nfs/dbraw/zinc/73/20/63/1021732063.db2.gz SOMMTNBKKQZSTI-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM Fc1ccc(CC2(CN=c3nc(C(F)(F)F)[n-]s3)CC2)cc1 ZINC000516884146 1021816100 /nfs/dbraw/zinc/81/61/00/1021816100.db2.gz UCDFFTKJNXYNDN-UHFFFAOYSA-N -1 1 331.338 3.553 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)c3cccnc23)n1 ZINC000188117345 1021829760 /nfs/dbraw/zinc/82/97/60/1021829760.db2.gz MEHBNRQVZSRCLU-UHFFFAOYSA-N -1 1 331.828 3.826 20 0 EHADMM O=C(c1ncccc1[O-])N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000427556956 1021983769 /nfs/dbraw/zinc/98/37/69/1021983769.db2.gz RVXFQPHWJQQYDQ-LJQANCHMSA-N -1 1 344.414 3.770 20 0 EHADMM CCc1nc(CNCc2ccc(C(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000426652656 1022148544 /nfs/dbraw/zinc/14/85/44/1022148544.db2.gz WDFIVAGOLFLIAH-UHFFFAOYSA-N -1 1 338.329 3.651 20 0 EHADMM COc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1F ZINC000048600772 1022369258 /nfs/dbraw/zinc/36/92/58/1022369258.db2.gz ROBSJHSYOFCTPR-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM Cc1ccc([C@H]2CCCCN2C(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000426659601 1022396782 /nfs/dbraw/zinc/39/67/82/1022396782.db2.gz HGWZFMAGSPHHLR-QGZVFWFLSA-N -1 1 341.480 3.815 20 0 EHADMM C[C@@H]1[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)[C@H]1c1ccccc1 ZINC000438237551 1022481960 /nfs/dbraw/zinc/48/19/60/1022481960.db2.gz NUWRJHICZRPEJJ-RQUSPXKASA-N -1 1 333.391 3.771 20 0 EHADMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000144940212 1033063081 /nfs/dbraw/zinc/06/30/81/1033063081.db2.gz VKRLCALWCIAWJU-RDTXWAMCSA-N -1 1 345.826 3.943 20 0 EHADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000144940409 1033063645 /nfs/dbraw/zinc/06/36/45/1033063645.db2.gz VKRLCALWCIAWJU-KDOFPFPSSA-N -1 1 345.826 3.943 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1 ZINC000425979448 1022546628 /nfs/dbraw/zinc/54/66/28/1022546628.db2.gz IMYCPMQYLFCFKV-UHFFFAOYSA-N -1 1 343.448 3.959 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000895049228 1022590794 /nfs/dbraw/zinc/59/07/94/1022590794.db2.gz HWKXLXAMUMMDSB-QLFBSQMISA-N -1 1 331.460 3.703 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000438725871 1022957056 /nfs/dbraw/zinc/95/70/56/1022957056.db2.gz SLJNERFVYTTYAW-UHFFFAOYSA-N -1 1 339.844 3.986 20 0 EHADMM C[C@@H]1CC[C@H](NC(=O)c2cc(Br)ccc2[O-])C[C@H]1C ZINC000300438871 1022964987 /nfs/dbraw/zinc/96/49/87/1022964987.db2.gz OEYYUNFLTCZRGJ-FOGDFJRCSA-N -1 1 326.234 3.709 20 0 EHADMM Cc1ccc(-c2ncc(CNCc3ccccc3CC(=O)[O-])s2)o1 ZINC000426676582 1022965466 /nfs/dbraw/zinc/96/54/66/1022965466.db2.gz DQBJSIISBVFKGZ-UHFFFAOYSA-N -1 1 342.420 3.628 20 0 EHADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3C)c2)o1 ZINC000438759121 1022971825 /nfs/dbraw/zinc/97/18/25/1022971825.db2.gz QUULKBCAUKDJEQ-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000438783489 1022997516 /nfs/dbraw/zinc/99/75/16/1022997516.db2.gz DDVRQHCOVFWVMQ-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM COc1ccccc1[C@H](NCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000426764371 1023016895 /nfs/dbraw/zinc/01/68/95/1023016895.db2.gz 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ZINC000093241686 1023134639 /nfs/dbraw/zinc/13/46/39/1023134639.db2.gz FPYIWTHISXJWQV-UHFFFAOYSA-N -1 1 344.386 3.518 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(Br)o1)c1ccccc1 ZINC000276938142 1023424343 /nfs/dbraw/zinc/42/43/43/1023424343.db2.gz ACVMJCUGANLOHY-YGRLFVJLSA-N -1 1 338.201 3.594 20 0 EHADMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000133577345 1023495343 /nfs/dbraw/zinc/49/53/43/1023495343.db2.gz STNKMGQXTVVJEP-YPMHNXCESA-N -1 1 344.274 3.559 20 0 EHADMM O=S(=O)([N-][C@@H]1CC[C@@H]1c1ccccc1)c1sccc1Cl ZINC000657196787 1024002962 /nfs/dbraw/zinc/00/29/62/1024002962.db2.gz YIOMKYYJBRIUHU-DGCLKSJQSA-N -1 1 327.858 3.626 20 0 EHADMM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000092760443 1024008220 /nfs/dbraw/zinc/00/82/20/1024008220.db2.gz GAWSZOBLRPVTSO-CQSZACIVSA-N -1 1 335.403 3.954 20 0 EHADMM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc(O)cc1[O-] ZINC000192492282 1024029093 /nfs/dbraw/zinc/02/90/93/1024029093.db2.gz RFVGCYQTFOBYTL-UHFFFAOYSA-N -1 1 349.390 3.550 20 0 EHADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(F)ccc1[O-] ZINC000093909822 1024100370 /nfs/dbraw/zinc/10/03/70/1024100370.db2.gz CXGHJSXQKREJPW-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1C(=O)N(C)C(C)C ZINC000192541996 1024161951 /nfs/dbraw/zinc/16/19/51/1024161951.db2.gz YRKXFUQPESFFRW-UHFFFAOYSA-N -1 1 344.386 3.572 20 0 EHADMM Clc1cnc(Cl)c([N-]c2cnc(Br)s2)n1 ZINC001216264701 1024267153 /nfs/dbraw/zinc/26/71/53/1024267153.db2.gz HDGUTDDZSBPKPC-UHFFFAOYSA-N -1 1 326.006 3.746 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1 ZINC000435184929 1024684661 /nfs/dbraw/zinc/68/46/61/1024684661.db2.gz UIXOXPVEUKOBQK-ZDUSSCGKSA-N -1 1 343.452 3.888 20 0 EHADMM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425329489 1024766377 /nfs/dbraw/zinc/76/63/77/1024766377.db2.gz ZYJHEEXFPMYHSP-INIZCTEOSA-N -1 1 349.475 3.724 20 0 EHADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(OC)c(Cl)cc1OC ZINC000514837051 1024778717 /nfs/dbraw/zinc/77/87/17/1024778717.db2.gz 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345.782 3.574 20 0 EHADMM CCN(CC)c1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436523376 1025829310 /nfs/dbraw/zinc/82/93/10/1025829310.db2.gz AUUOIBGZOHNCCV-UHFFFAOYSA-N -1 1 349.434 3.717 20 0 EHADMM COc1ccc2c(c1NC(=O)c1cc(Cl)c([O-])c(OC)c1)CCC2 ZINC000436545793 1025878706 /nfs/dbraw/zinc/87/87/06/1025878706.db2.gz OLMSVWLQTKPDBI-UHFFFAOYSA-N -1 1 347.798 3.804 20 0 EHADMM COC[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(C)o1 ZINC000436577707 1025881865 /nfs/dbraw/zinc/88/18/65/1025881865.db2.gz UYXGRLAQYKGPLI-INIZCTEOSA-N -1 1 325.364 3.564 20 0 EHADMM COc1cc(C(=O)NC[C@H](C)Oc2ccccc2C)cc(Cl)c1[O-] ZINC000443291207 1025884837 /nfs/dbraw/zinc/88/48/37/1025884837.db2.gz DSZAWRGWEPQLNX-LBPRGKRZSA-N -1 1 349.814 3.560 20 0 EHADMM COCCSc1ccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436568376 1025900587 /nfs/dbraw/zinc/90/05/87/1025900587.db2.gz SONUALGYXHZGBO-LBPRGKRZSA-N -1 1 349.427 3.761 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCOC[C@@H]1c1ccccc1 ZINC000436574510 1025907701 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Cc1ccccc1S(=O)(=O)[N-]c1ccccc1NCC(F)(F)F ZINC000589435802 1036427564 /nfs/dbraw/zinc/42/75/64/1036427564.db2.gz ZJWFTQNEVJTDFH-UHFFFAOYSA-N -1 1 344.358 3.770 20 0 EHADMM CC(=O)N1CCc2cc(NC(=O)Nc3ccc([O-])c(Cl)c3)ccc21 ZINC000192185255 1036484904 /nfs/dbraw/zinc/48/49/04/1036484904.db2.gz MOYVBZLKBMZIJO-UHFFFAOYSA-N -1 1 345.786 3.599 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007050652 1036641167 /nfs/dbraw/zinc/64/11/67/1036641167.db2.gz OFJKNAVTNQUJTE-UHFFFAOYSA-N -1 1 340.788 3.611 20 0 EHADMM COc1cc(C(=O)Nc2nc3ccsc3s2)cc(Cl)c1[O-] ZINC000442962657 1036778065 /nfs/dbraw/zinc/77/80/65/1036778065.db2.gz CSAZLKKLXRLUKL-UHFFFAOYSA-N -1 1 340.813 3.978 20 0 EHADMM COc1cccc(CCC(=O)Nc2ccc([O-])c(Cl)c2)c1OC ZINC000541887439 1036794451 /nfs/dbraw/zinc/79/44/51/1036794451.db2.gz LRZFVLCHHPXNNS-UHFFFAOYSA-N -1 1 335.787 3.634 20 0 EHADMM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000008107477 1036807064 /nfs/dbraw/zinc/80/70/64/1036807064.db2.gz 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Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000054828496 1041043033 /nfs/dbraw/zinc/04/30/33/1041043033.db2.gz QXBGHBKWZMMKMP-UHFFFAOYSA-N -1 1 340.832 3.631 20 0 EHADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000512829532 1041049715 /nfs/dbraw/zinc/04/97/15/1041049715.db2.gz VJEDYIFWGVOGIU-NSHDSACASA-N -1 1 341.379 3.943 20 0 EHADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909975400 1041086531 /nfs/dbraw/zinc/08/65/31/1041086531.db2.gz PWRFHRHDUGYGEU-JTQLQIEISA-N -1 1 333.334 3.565 20 0 EHADMM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1cc([O-])c(F)cc1F ZINC000909987622 1041120908 /nfs/dbraw/zinc/12/09/08/1041120908.db2.gz ACGZVQGWRWNIRE-CYBMUJFWSA-N -1 1 333.334 3.898 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cc(Cl)ccc1Cl ZINC000429911768 1041153507 /nfs/dbraw/zinc/15/35/07/1041153507.db2.gz SZDQPTRPXUZVTA-MRVPVSSYSA-N -1 1 344.210 3.707 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000194244411 1041240134 /nfs/dbraw/zinc/24/01/34/1041240134.db2.gz 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Cc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2N)cc1Cl ZINC000709673206 1042955668 /nfs/dbraw/zinc/95/56/68/1042955668.db2.gz VUJFLDNHWWXKJF-UHFFFAOYSA-N -1 1 331.224 3.685 20 0 EHADMM O=C(Nc1ccncc1[O-])c1sc2cc(Cl)ccc2c1Cl ZINC000512017190 1042990436 /nfs/dbraw/zinc/99/04/36/1042990436.db2.gz GZENZQFDBMOXBP-UHFFFAOYSA-N -1 1 339.203 3.983 20 0 EHADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccccc1F ZINC000111666229 1042992117 /nfs/dbraw/zinc/99/21/17/1042992117.db2.gz GINWGIJQADYERV-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667641 1042993992 /nfs/dbraw/zinc/99/39/92/1042993992.db2.gz NCHZAZAAEYLBQP-LBPRGKRZSA-N -1 1 344.798 3.575 20 0 EHADMM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000344011907 1043098484 /nfs/dbraw/zinc/09/84/84/1043098484.db2.gz DTYLQQQSKLGBQT-NSHDSACASA-N -1 1 346.224 3.914 20 0 EHADMM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([O-])cc1F ZINC000187091342 1043793399 /nfs/dbraw/zinc/79/33/99/1043793399.db2.gz 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ZINC000785421827 1120550408 /nfs/dbraw/zinc/55/04/08/1120550408.db2.gz UKJOLKNHZWDUHY-UHFFFAOYSA-N -1 1 335.787 3.937 20 0 EHADMM O=C([O-])CCC1CCN(Cc2cccc(F)c2Br)CC1 ZINC000156965299 1128942770 /nfs/dbraw/zinc/94/27/70/1128942770.db2.gz OKLIMXPKMGXRHE-UHFFFAOYSA-N -1 1 344.224 3.665 20 0 EHADMM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000672470733 1128985788 /nfs/dbraw/zinc/98/57/88/1128985788.db2.gz ZAMHBELISOIMCT-ZDUSSCGKSA-N -1 1 331.387 3.852 20 0 EHADMM Cc1sc(Cl)nc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000762897223 1121510769 /nfs/dbraw/zinc/51/07/69/1121510769.db2.gz COZKWSWTSRYJOM-UHFFFAOYSA-N -1 1 342.858 3.937 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)nc1 ZINC000670240874 1121753369 /nfs/dbraw/zinc/75/33/69/1121753369.db2.gz GOOLKBNTLQTFCV-UHFFFAOYSA-N -1 1 341.798 3.569 20 0 EHADMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ncoc1-c1ccccc1 ZINC000113428472 1129013793 /nfs/dbraw/zinc/01/37/93/1129013793.db2.gz PBYMNIOTBUQDGD-UHFFFAOYSA-N -1 1 349.325 3.518 20 0 EHADMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1c([O-])cccc1Cl ZINC000763221699 1121908506 /nfs/dbraw/zinc/90/85/06/1121908506.db2.gz DGEACTZKIIXGGB-GFCCVEGCSA-N -1 1 348.805 3.584 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c([O-])c1 ZINC000916431503 1122157725 /nfs/dbraw/zinc/15/77/25/1122157725.db2.gz KRESQLCQCINZKH-UHFFFAOYSA-N -1 1 332.375 3.637 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccc(OCC(C)C)cc2)CCC1 ZINC000615226534 1122424500 /nfs/dbraw/zinc/42/45/00/1122424500.db2.gz LEZQTKZTPWUHAP-UHFFFAOYSA-N -1 1 343.427 3.519 20 0 EHADMM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000077688162 1129056736 /nfs/dbraw/zinc/05/67/36/1129056736.db2.gz QWIBZJFZJAHZMW-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2o1 ZINC000077704485 1129058383 /nfs/dbraw/zinc/05/83/83/1129058383.db2.gz BXJZMHRXGVQSEV-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM Cc1cc(Br)cc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480942 1129083786 /nfs/dbraw/zinc/08/37/86/1129083786.db2.gz QQGQJJNTFSUDBN-UHFFFAOYSA-N -1 1 332.157 3.575 20 0 EHADMM O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cncc([O-])c1 ZINC000557049946 1123289117 /nfs/dbraw/zinc/28/91/17/1123289117.db2.gz XMPJACSEIWOFKZ-UMSPYCQHSA-N -1 1 337.206 3.770 20 0 EHADMM CCCOCc1ccccc1CNC(=O)c1c([O-])cccc1Cl ZINC000920454365 1123371096 /nfs/dbraw/zinc/37/10/96/1123371096.db2.gz RRHJUNLCBBYCQH-UHFFFAOYSA-N -1 1 333.815 3.902 20 0 EHADMM Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1C(=O)N(C)C ZINC000133635786 1123410733 /nfs/dbraw/zinc/41/07/33/1123410733.db2.gz MBENVPJJJLFGRG-UHFFFAOYSA-N -1 1 348.402 3.808 20 0 EHADMM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000921074286 1123457513 /nfs/dbraw/zinc/45/75/13/1123457513.db2.gz PAPRSFREVYEVIA-LBPRGKRZSA-N -1 1 339.370 3.739 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1F ZINC000077702195 1123574812 /nfs/dbraw/zinc/57/48/12/1123574812.db2.gz DXHIBXUQHHIJMW-UHFFFAOYSA-N -1 1 334.416 3.535 20 0 EHADMM COc1cc(C(=O)Nc2cccc(OCCF)c2)cc(Cl)c1[O-] ZINC000135177473 1123589384 /nfs/dbraw/zinc/58/93/84/1123589384.db2.gz UCWNZYJVRAMAQT-UHFFFAOYSA-N -1 1 339.750 3.655 20 0 EHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000080029856 1123735790 /nfs/dbraw/zinc/73/57/90/1123735790.db2.gz MZDGPROJWRUDTP-NSHDSACASA-N -1 1 326.327 3.677 20 0 EHADMM CCc1cnc(CN(C)C(=O)c2cc3ccccc3cc2[O-])s1 ZINC000081084015 1123774671 /nfs/dbraw/zinc/77/46/71/1123774671.db2.gz RCWXURVADUUGEP-UHFFFAOYSA-N -1 1 326.421 3.837 20 0 EHADMM C[C@H](CC(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(F)cc1 ZINC000617367390 1124501149 /nfs/dbraw/zinc/50/11/49/1124501149.db2.gz WDFNYEYHDVUDSF-LLVKDONJSA-N -1 1 329.400 3.832 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000618110032 1124988522 /nfs/dbraw/zinc/98/85/22/1124988522.db2.gz WBHANERIZWYMKC-INIZCTEOSA-N -1 1 347.798 3.633 20 0 EHADMM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1ccc([O-])cc1F ZINC000618790644 1125201186 /nfs/dbraw/zinc/20/11/86/1125201186.db2.gz GYYFJZXAJFYEDS-QGZVFWFLSA-N -1 1 347.361 3.663 20 0 EHADMM CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000618791510 1125201785 /nfs/dbraw/zinc/20/17/85/1125201785.db2.gz VJDZPYLLXTZMIL-KRWDZBQOSA-N -1 1 347.361 3.663 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000619180642 1125305695 /nfs/dbraw/zinc/30/56/95/1125305695.db2.gz KDEHRCCTJZNJRX-VQIMIIECSA-N -1 1 339.435 3.967 20 0 EHADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc12 ZINC000093909451 1125323001 /nfs/dbraw/zinc/32/30/01/1125323001.db2.gz NDQZXBZLUXGAFO-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc12 ZINC000093909451 1125323006 /nfs/dbraw/zinc/32/30/06/1125323006.db2.gz NDQZXBZLUXGAFO-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCOC(C2CC2)(C2CC2)C1 ZINC000619951129 1125442931 /nfs/dbraw/zinc/44/29/31/1125442931.db2.gz AZNBOIZKYZBRJA-UHFFFAOYSA-N -1 1 337.419 3.577 20 0 EHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000543165419 1129307487 /nfs/dbraw/zinc/30/74/87/1129307487.db2.gz BFQVOSCKBBZZQX-UHFFFAOYSA-N -1 1 345.342 3.579 20 0 EHADMM CSCCc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000067899599 1129319508 /nfs/dbraw/zinc/31/95/08/1129319508.db2.gz ULJFXQIQYUIILJ-UHFFFAOYSA-N -1 1 349.477 3.596 20 0 EHADMM CSc1ccc([C@H](CN=c2[n-]nc(C(C)C)s2)N(C)C)cc1 ZINC000338839919 1129431103 /nfs/dbraw/zinc/43/11/03/1129431103.db2.gz ZCKYBAFWOGIJNV-AWEZNQCLSA-N -1 1 336.530 3.520 20 0 EHADMM CCCCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H](C)CCC ZINC000118750719 1129521781 /nfs/dbraw/zinc/52/17/81/1129521781.db2.gz HHZJGGXAURHKMO-AWEZNQCLSA-N -1 1 329.444 3.744 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)Nc1nsc2ccccc21 ZINC001626080478 1129542582 /nfs/dbraw/zinc/54/25/82/1129542582.db2.gz LJOPHEWYOAYNMV-UHFFFAOYSA-N -1 1 349.362 3.644 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)C(F)(F)F ZINC000673576103 1129579091 /nfs/dbraw/zinc/57/90/91/1129579091.db2.gz SPNSMGZVYNDNKR-LURJTMIESA-N -1 1 343.779 3.784 20 0 EHADMM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1 ZINC000673576080 1129579118 /nfs/dbraw/zinc/57/91/18/1129579118.db2.gz JVPXLOGQFJRMET-MRVPVSSYSA-N -1 1 329.771 3.693 20 0 EHADMM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CCCC1 ZINC000674134215 1130014158 /nfs/dbraw/zinc/01/41/58/1130014158.db2.gz NFLBMYBUPNXKQO-AWEZNQCLSA-N -1 1 329.440 3.640 20 0 EHADMM O=C(c1ncccc1[O-])N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000428172550 1130143581 /nfs/dbraw/zinc/14/35/81/1130143581.db2.gz FIEGHWDVPCJWTM-CFYYFVFUSA-N -1 1 328.437 3.947 20 0 EHADMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1coc(C)c1 ZINC001128996086 1130366730 /nfs/dbraw/zinc/36/67/30/1130366730.db2.gz SIRHKYGFPMCRNS-UHFFFAOYSA-N -1 1 340.335 3.672 20 0 EHADMM COc1ccccc1[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000738554890 1131471868 /nfs/dbraw/zinc/47/18/68/1131471868.db2.gz MXXFBASHGVOQMA-LBPRGKRZSA-N -1 1 331.799 3.684 20 0 EHADMM Cc1cccc([C@@H](C)C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000740351170 1131528802 /nfs/dbraw/zinc/52/88/02/1131528802.db2.gz MACZJBYBVUZNRO-CYBMUJFWSA-N -1 1 338.359 3.654 20 0 EHADMM C[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CC1 ZINC000740924278 1131558688 /nfs/dbraw/zinc/55/86/88/1131558688.db2.gz WJDSYOWQFYMKCD-NSHDSACASA-N -1 1 334.416 3.515 20 0 EHADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)Oc1ccc(Cl)cc1 ZINC000743760005 1131973523 /nfs/dbraw/zinc/97/35/23/1131973523.db2.gz NIXDFMFMUFRGBW-SNVBAGLBSA-N -1 1 340.206 3.896 20 0 EHADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1F ZINC000743789597 1131979650 /nfs/dbraw/zinc/97/96/50/1131979650.db2.gz QSRVARQVOQFWPJ-SECBINFHSA-N -1 1 325.742 3.857 20 0 EHADMM CCc1ccc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)cc1 ZINC000743789367 1131979688 /nfs/dbraw/zinc/97/96/88/1131979688.db2.gz ZUBRNPNKLCCPCZ-UHFFFAOYSA-N -1 1 344.842 3.570 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2ccc(C)cc2)c1 ZINC000744533213 1132118445 /nfs/dbraw/zinc/11/84/45/1132118445.db2.gz WOIFULPYHSFBJG-UHFFFAOYSA-N -1 1 326.392 3.622 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CSc2ccc(F)cc2)c1 ZINC000744566338 1132119080 /nfs/dbraw/zinc/11/90/80/1132119080.db2.gz DIIZBPVCCVBKAW-UHFFFAOYSA-N -1 1 348.395 3.612 20 0 EHADMM CCc1cc2c(COC(=O)[C@H](C)c3ccco3)cc(=O)oc2cc1[O-] ZINC000745131021 1132200267 /nfs/dbraw/zinc/20/02/67/1132200267.db2.gz BZIXEQTZGYEPIH-LLVKDONJSA-N -1 1 342.347 3.501 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccc(C)cc1C)c1ccccc1N ZINC001174014120 1132203174 /nfs/dbraw/zinc/20/31/74/1132203174.db2.gz VLYPYNCKEBLVPU-UHFFFAOYSA-N -1 1 329.425 3.665 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C)cc2Cl)c1 ZINC001174043974 1132224048 /nfs/dbraw/zinc/22/40/48/1132224048.db2.gz BYLAKSXAWDRNNU-UHFFFAOYSA-N -1 1 325.817 3.891 20 0 EHADMM CC(C)c1ccccc1Nc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001174047488 1132224971 /nfs/dbraw/zinc/22/49/71/1132224971.db2.gz RGNJMXDRUIRKLB-UHFFFAOYSA-N -1 1 334.397 3.526 20 0 EHADMM [O-]c1c(Cl)cc(Br)cc1Nc1ccc2ncnn2c1 ZINC001174376453 1132341676 /nfs/dbraw/zinc/34/16/76/1132341676.db2.gz ZJIXPEYUFLSSLJ-UHFFFAOYSA-N -1 1 339.580 3.594 20 0 EHADMM CCO[C@@H](C)n1cc(Nc2ccc(F)c(Br)c2[O-])cn1 ZINC001174702404 1132446212 /nfs/dbraw/zinc/44/62/12/1132446212.db2.gz OZGIFUHAMMWMCN-QMMMGPOBSA-N -1 1 344.184 3.789 20 0 EHADMM CCOc1cc(Nc2cc(S(C)(=O)=O)ccc2[O-])ccc1Cl ZINC001212581120 1132572065 /nfs/dbraw/zinc/57/20/65/1132572065.db2.gz RGHGJDRHTFOBPO-UHFFFAOYSA-N -1 1 341.816 3.591 20 0 EHADMM Cn1cc2ccc(Nc3ccc(F)c(Br)c3[O-])cc2n1 ZINC001175618302 1132727781 /nfs/dbraw/zinc/72/77/81/1132727781.db2.gz NVBGFXIDWNIDTN-UHFFFAOYSA-N -1 1 336.164 3.924 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c3ccccc3c2c1 ZINC001175857452 1132784805 /nfs/dbraw/zinc/78/48/05/1132784805.db2.gz AATYPRFODUKTAC-UHFFFAOYSA-N -1 1 337.404 3.704 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c3ccccc23)cc1N ZINC001175956498 1132800937 /nfs/dbraw/zinc/80/09/37/1132800937.db2.gz YSNGWTJZVSQMQD-UHFFFAOYSA-N -1 1 330.384 3.670 20 0 EHADMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(F)c2ccccc12 ZINC001175955714 1132812688 /nfs/dbraw/zinc/81/26/88/1132812688.db2.gz QBXQMGYTIYXTIJ-UHFFFAOYSA-N -1 1 330.384 3.670 20 0 EHADMM CCN(CC)C(=O)c1cc(F)cc([N-]c2noc(C(C)(C)C)n2)c1 ZINC001176295280 1132893554 /nfs/dbraw/zinc/89/35/54/1132893554.db2.gz KJKTTWFFHXZSQQ-UHFFFAOYSA-N -1 1 334.395 3.732 20 0 EHADMM COc1cc(Nc2ccc(CCN3CCOCC3)cc2)ccc1[S-] ZINC001176385717 1132915968 /nfs/dbraw/zinc/91/59/68/1132915968.db2.gz GOLFXINSEWIXEY-UHFFFAOYSA-N -1 1 344.480 3.602 20 0 EHADMM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cc(OC(C)C)ncc1F ZINC001176482064 1132944308 /nfs/dbraw/zinc/94/43/08/1132944308.db2.gz YEUITUICBWXNHN-UHFFFAOYSA-N -1 1 349.362 3.794 20 0 EHADMM CCc1ccc2c(COC(=O)c3ccc([O-])cc3F)cc(=O)oc2c1 ZINC000773579137 1132947863 /nfs/dbraw/zinc/94/78/63/1132947863.db2.gz YUECZKRYCOCPHY-UHFFFAOYSA-N -1 1 342.322 3.557 20 0 EHADMM COC(=O)c1ccc(C)c(Nc2c(F)cc(F)c([O-])c2F)c1C ZINC001176670847 1132978860 /nfs/dbraw/zinc/97/88/60/1132978860.db2.gz NIKVWOYDJRXLQF-UHFFFAOYSA-N -1 1 325.286 3.957 20 0 EHADMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000767910709 1133070810 /nfs/dbraw/zinc/07/08/10/1133070810.db2.gz CCLUCQIHZBCELF-QGZVFWFLSA-N -1 1 329.371 3.690 20 0 EHADMM Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1F ZINC001178642228 1133190493 /nfs/dbraw/zinc/19/04/93/1133190493.db2.gz PBVBPZGMMSJSCT-UHFFFAOYSA-N -1 1 327.277 3.789 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)c1occc1-c1ccccc1 ZINC001178781006 1133202109 /nfs/dbraw/zinc/20/21/09/1133202109.db2.gz QXEZHRFCEZMCEE-UHFFFAOYSA-N -1 1 343.329 3.903 20 0 EHADMM CC=C(C=CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)CC ZINC000769283376 1133253948 /nfs/dbraw/zinc/25/39/48/1133253948.db2.gz VBTSHIROMKNTBA-BTPFZMTDSA-N -1 1 327.424 3.726 20 0 EHADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1nc2ccccc2[nH]1 ZINC000769759285 1133337660 /nfs/dbraw/zinc/33/76/60/1133337660.db2.gz MSXQVABFFNZZIW-NSHDSACASA-N -1 1 329.787 3.803 20 0 EHADMM CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1c([O-])cccc1Cl ZINC000769950926 1133364691 /nfs/dbraw/zinc/36/46/91/1133364691.db2.gz FOTDIMNAUXXTCR-MRXNPFEDSA-N -1 1 333.815 3.550 20 0 EHADMM CSc1ccc(F)cc1CNC(=O)c1c([O-])cccc1Cl ZINC000769933394 1133369148 /nfs/dbraw/zinc/36/91/48/1133369148.db2.gz AFDZBBHMQMCKJQ-UHFFFAOYSA-N -1 1 325.792 3.837 20 0 EHADMM O=C(NC[C@H]1C[C@H]1C1CCCC1)c1c([O-])cnc2c(F)cccc21 ZINC001181440054 1133492055 /nfs/dbraw/zinc/49/20/55/1133492055.db2.gz BXENPYSRKQSCCA-OCCSQVGLSA-N -1 1 328.387 3.636 20 0 EHADMM O=C(NC[C@@H]1C[C@@H]1C1CCCC1)c1c([O-])cnc2c(F)cccc21 ZINC001181440052 1133492264 /nfs/dbraw/zinc/49/22/64/1133492264.db2.gz BXENPYSRKQSCCA-GXTWGEPZSA-N -1 1 328.387 3.636 20 0 EHADMM CCOC(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000771200448 1133518784 /nfs/dbraw/zinc/51/87/84/1133518784.db2.gz ZYIPJQRCWGJJMG-UHFFFAOYSA-N -1 1 343.314 3.817 20 0 EHADMM [O-]c1ccc(-c2noc(-c3c(Cl)nc4ccccn43)n2)c(F)c1 ZINC000771209439 1133527755 /nfs/dbraw/zinc/52/77/55/1133527755.db2.gz FHVUYCZLPKYEQT-UHFFFAOYSA-N -1 1 330.706 3.549 20 0 EHADMM [O-]c1ccc(-c2noc(C[C@@H](O)c3ccc(Cl)cc3)n2)cc1F ZINC000771222232 1133529610 /nfs/dbraw/zinc/52/96/10/1133529610.db2.gz GAZVIOGKNWWMBC-CQSZACIVSA-N -1 1 334.734 3.511 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000151909889 1133545778 /nfs/dbraw/zinc/54/57/78/1133545778.db2.gz JSRNQIMGUFJZFD-UHFFFAOYSA-N -1 1 349.214 3.824 20 0 EHADMM CC(C)(C)SCCCC(=O)Nc1nc(Br)ccc1[O-] ZINC000771575126 1133572597 /nfs/dbraw/zinc/57/25/97/1133572597.db2.gz XAKMEERITVWYBM-UHFFFAOYSA-N -1 1 347.278 3.800 20 0 EHADMM O=S(=O)(Cc1ccc(CF)cc1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000774005821 1133583668 /nfs/dbraw/zinc/58/36/68/1133583668.db2.gz DOLONMJYEWWFHM-UHFFFAOYSA-N -1 1 348.374 3.659 20 0 EHADMM O=S(=O)(Cc1ccc(CF)cc1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000774005821 1133583674 /nfs/dbraw/zinc/58/36/74/1133583674.db2.gz DOLONMJYEWWFHM-UHFFFAOYSA-N -1 1 348.374 3.659 20 0 EHADMM COc1c(Br)cccc1Nc1ccnc(Cl)c1[O-] ZINC001250039825 1133598247 /nfs/dbraw/zinc/59/82/47/1133598247.db2.gz LJFHWLFXQSUTLK-UHFFFAOYSA-N -1 1 329.581 3.955 20 0 EHADMM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001182605662 1133710010 /nfs/dbraw/zinc/71/00/10/1133710010.db2.gz IIKCYQHORUTWQH-UHFFFAOYSA-N -1 1 335.407 3.785 20 0 EHADMM CCc1ccc(C(=O)Nc2nc3cccc(Cl)c3n2C)c([O-])c1 ZINC001183142512 1133770874 /nfs/dbraw/zinc/77/08/74/1133770874.db2.gz CUQSSXGCDYVPTE-UHFFFAOYSA-N -1 1 329.787 3.747 20 0 EHADMM Cc1cc(C(F)(F)C(=O)Nc2nc(Cl)ccc2[O-])cnc1Cl ZINC001183218861 1133780141 /nfs/dbraw/zinc/78/01/41/1133780141.db2.gz PWWJTJZTPUZKBS-UHFFFAOYSA-N -1 1 348.136 3.528 20 0 EHADMM Cc1cc(C)c2cc(C(=O)Nc3nc(Cl)ccc3[O-])sc2n1 ZINC001183219351 1133780367 /nfs/dbraw/zinc/78/03/67/1133780367.db2.gz UVHIURYDCUCLJR-UHFFFAOYSA-N -1 1 333.800 3.919 20 0 EHADMM CN1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1C(C)(C)C ZINC001183905636 1133875824 /nfs/dbraw/zinc/87/58/24/1133875824.db2.gz KOECUHAVZWTCCN-CYBMUJFWSA-N -1 1 345.270 3.501 20 0 EHADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000786881719 1133923066 /nfs/dbraw/zinc/92/30/66/1133923066.db2.gz XVHKZXVLGMFALN-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM O=S(=O)([N-][C@@H](c1cccs1)C1CC1)c1sccc1Cl ZINC001185030977 1134022269 /nfs/dbraw/zinc/02/22/69/1134022269.db2.gz RFEDCWYUAGFIFU-LLVKDONJSA-N -1 1 333.887 3.893 20 0 EHADMM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cccc(C2CCC2)n1 ZINC001185098684 1134029393 /nfs/dbraw/zinc/02/93/93/1134029393.db2.gz LEXDRDSBPHAPAW-UHFFFAOYSA-N -1 1 338.379 3.569 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)c3ccccc32)sn1 ZINC001186059100 1134167410 /nfs/dbraw/zinc/16/74/10/1134167410.db2.gz ZTVQTFRERBVIAN-AWEZNQCLSA-N -1 1 336.482 3.543 20 0 EHADMM Nc1ccc2c(c1)Cc1cc(NC(=O)c3ccc([O-])c(F)c3)ccc1-2 ZINC001186226389 1134183174 /nfs/dbraw/zinc/18/31/74/1134183174.db2.gz NJYKSNLCOYPXFR-UHFFFAOYSA-N -1 1 334.350 3.937 20 0 EHADMM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1nc(Cl)ccc1[O-] ZINC000790047300 1134364932 /nfs/dbraw/zinc/36/49/32/1134364932.db2.gz CHVUCAYNGJKLJE-UHFFFAOYSA-N -1 1 339.178 3.696 20 0 EHADMM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC001187876676 1134398109 /nfs/dbraw/zinc/39/81/09/1134398109.db2.gz XUHAGITYKWUSLI-QWRGUYRKSA-N -1 1 339.935 3.744 20 0 EHADMM COc1cc(Cl)ncc1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188571810 1134477956 /nfs/dbraw/zinc/47/79/56/1134477956.db2.gz FLXDFCIKHWOCSF-UHFFFAOYSA-N -1 1 346.692 3.720 20 0 EHADMM COc1cccc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001188804635 1134510722 /nfs/dbraw/zinc/51/07/22/1134510722.db2.gz PFFXJXDDRKYZSH-UHFFFAOYSA-N -1 1 325.286 3.980 20 0 EHADMM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1nccc2ccccc21 ZINC001189064274 1134538903 /nfs/dbraw/zinc/53/89/03/1134538903.db2.gz IXRFPYIOVLWFTB-UHFFFAOYSA-N -1 1 346.839 3.873 20 0 EHADMM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cc2ccccc2cn1 ZINC001189073026 1134541754 /nfs/dbraw/zinc/54/17/54/1134541754.db2.gz JELNFMIJZBQFOF-UHFFFAOYSA-N -1 1 346.839 3.873 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C)cc3c2)c1 ZINC001189233046 1134555041 /nfs/dbraw/zinc/55/50/41/1134555041.db2.gz YHOCTKFVWZRVCK-UHFFFAOYSA-N -1 1 329.377 3.745 20 0 EHADMM C[C@H](O)c1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189387957 1134578629 /nfs/dbraw/zinc/57/86/29/1134578629.db2.gz DNBKVRNORKDQMM-LBPRGKRZSA-N -1 1 345.395 3.833 20 0 EHADMM Cc1cnc(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)[n-]c1=O ZINC001189399466 1134582736 /nfs/dbraw/zinc/58/27/36/1134582736.db2.gz QYABBAKURXBMLQ-LBPRGKRZSA-N -1 1 339.420 3.763 20 0 EHADMM CCSCCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001189612953 1134606240 /nfs/dbraw/zinc/60/62/40/1134606240.db2.gz GPDVYIMOXSSDAN-UHFFFAOYSA-N -1 1 349.930 3.976 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)CC(C)(C)C2)sn1 ZINC001189822754 1134629750 /nfs/dbraw/zinc/62/97/50/1134629750.db2.gz SLECWPDEPDFJAL-DGCLKSJQSA-N -1 1 330.519 3.582 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(Cl)cn1 ZINC000792450087 1134687894 /nfs/dbraw/zinc/68/78/94/1134687894.db2.gz MSDIVWAJSHCUDG-SECBINFHSA-N -1 1 328.721 3.843 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1Cl)c1cc(F)cc(F)c1F ZINC001190387113 1134689145 /nfs/dbraw/zinc/68/91/45/1134689145.db2.gz CYGLXJMCTOXKCM-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccncc3)c2)cc1 ZINC001190888132 1134763459 /nfs/dbraw/zinc/76/34/59/1134763459.db2.gz SLCXBBCXYVSDMJ-UHFFFAOYSA-N -1 1 340.404 3.558 20 0 EHADMM COc1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccccc23)cc(Cl)c1[O-] ZINC001191148264 1134801695 /nfs/dbraw/zinc/80/16/95/1134801695.db2.gz ZFRPKYOALKMNCB-BETUJISGSA-N -1 1 343.810 3.781 20 0 EHADMM COc1cc(C(=O)Nc2ccc(C(F)F)cn2)cc(Cl)c1[O-] ZINC001191139248 1134810589 /nfs/dbraw/zinc/81/05/89/1134810589.db2.gz QLVHPNLPRIRXRB-UHFFFAOYSA-N -1 1 328.702 3.639 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3oncc3c2)cc1 ZINC001191249134 1134836812 /nfs/dbraw/zinc/83/68/12/1134836812.db2.gz OOZQMHIIGUVTDE-UHFFFAOYSA-N -1 1 330.409 3.971 20 0 EHADMM C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc([O-])cc2)C2(CC2)C1 ZINC001191499159 1134883474 /nfs/dbraw/zinc/88/34/74/1134883474.db2.gz YBPUBDXPYYSNDP-CQSZACIVSA-N -1 1 335.403 3.638 20 0 EHADMM CCc1cccc(O)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191905809 1134942901 /nfs/dbraw/zinc/94/29/01/1134942901.db2.gz ORQHADKQIUWUNL-UHFFFAOYSA-N -1 1 343.807 3.689 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cccnc2-n2cccn2)c([O-])c1 ZINC001192313636 1134996819 /nfs/dbraw/zinc/99/68/19/1134996819.db2.gz FVKTYLSUSVEFLG-UHFFFAOYSA-N -1 1 336.395 3.523 20 0 EHADMM Cc1cc(NC(=O)Nc2nc(Br)ccc2[O-])ccc1F ZINC001192348966 1135003320 /nfs/dbraw/zinc/00/33/20/1135003320.db2.gz NWVOSYYWRKITPH-UHFFFAOYSA-N -1 1 340.152 3.641 20 0 EHADMM COc1cccc(Cl)c1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192357755 1135005312 /nfs/dbraw/zinc/00/53/12/1135005312.db2.gz JADNXUPCWBLZSE-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM CNc1ccc(C(F)(F)F)cc1NC(=O)c1c(F)ccc([O-])c1F ZINC001192539709 1135032643 /nfs/dbraw/zinc/03/26/43/1135032643.db2.gz HXLDRLGEKDXEQO-UHFFFAOYSA-N -1 1 346.255 3.983 20 0 EHADMM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])n(C(C)(C)C)n1 ZINC001192733488 1135048505 /nfs/dbraw/zinc/04/85/05/1135048505.db2.gz WHKUYJWRKWWUKH-UHFFFAOYSA-N -1 1 341.333 3.923 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000775556038 1135078089 /nfs/dbraw/zinc/07/80/89/1135078089.db2.gz CCGGZACUMSZXMQ-UHFFFAOYSA-N -1 1 336.395 3.861 20 0 EHADMM O=S(=O)([N-]CC[C@@H]1CCCC1(F)F)c1cccc(Cl)c1F ZINC001194108526 1135227012 /nfs/dbraw/zinc/22/70/12/1135227012.db2.gz ILBSBVGLYZBQGY-VIFPVBQESA-N -1 1 341.782 3.583 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)cc1O ZINC001194490122 1135278153 /nfs/dbraw/zinc/27/81/53/1135278153.db2.gz DRJQZBSDJZFSOU-UHFFFAOYSA-N -1 1 348.811 3.703 20 0 EHADMM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586884 1135288504 /nfs/dbraw/zinc/28/85/04/1135288504.db2.gz SXYHTGQLKDTYNE-LLVKDONJSA-N -1 1 338.395 3.738 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1-n1cccc1 ZINC001194637577 1135295513 /nfs/dbraw/zinc/29/55/13/1135295513.db2.gz BHDGOXMLQYPMTI-UHFFFAOYSA-N -1 1 326.421 3.895 20 0 EHADMM O=C(Nc1ccc(C2CCOCC2)cc1)c1c[n-]c(C(F)(F)F)n1 ZINC001194782331 1135315426 /nfs/dbraw/zinc/31/54/26/1135315426.db2.gz OZNBYBWRPNBLCV-UHFFFAOYSA-N -1 1 339.317 3.575 20 0 EHADMM Cc1nc2cc(Cl)c(NC(=O)c3c[n-]c(C(F)(F)F)n3)cc2o1 ZINC001194782287 1135315509 /nfs/dbraw/zinc/31/55/09/1135315509.db2.gz OTNWUVYDIPBGLD-UHFFFAOYSA-N -1 1 344.680 3.784 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC001195310335 1135412044 /nfs/dbraw/zinc/41/20/44/1135412044.db2.gz ZTUIBPCSPBKIRD-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1ccc([O-])c(C(=O)N(C)C(c2ccccc2)c2ccccc2)n1 ZINC001195317559 1135413230 /nfs/dbraw/zinc/41/32/30/1135413230.db2.gz BMTFLKHXKJOTFL-UHFFFAOYSA-N -1 1 332.403 3.957 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(OC2CCCCC2)c(F)c1 ZINC001195490024 1135432836 /nfs/dbraw/zinc/43/28/36/1135432836.db2.gz AHPCFCGHAURCNZ-UHFFFAOYSA-N -1 1 340.420 3.980 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@@H]2CCC[C@H]12)c1c(Cl)cc(F)cc1Cl ZINC001195870440 1135484645 /nfs/dbraw/zinc/48/46/45/1135484645.db2.gz VOSDHECNMKETEU-QOSJWCAFSA-N -1 1 338.231 3.599 20 0 EHADMM Cc1cc(F)ccc1NC(=S)Nc1cc2ccc([O-])cc2oc1=O ZINC001196095122 1135516772 /nfs/dbraw/zinc/51/67/72/1135516772.db2.gz QZHXIOZUGJMNPE-UHFFFAOYSA-N -1 1 344.367 3.755 20 0 EHADMM CC1(C)CN(C(=O)c2nnc3ccccc3c2O)[C@H]1c1cccs1 ZINC000807727091 1135564773 /nfs/dbraw/zinc/56/47/73/1135564773.db2.gz NEEYKWSGRFQZDQ-INIZCTEOSA-N -1 1 339.420 3.620 20 0 EHADMM C[C@H](CCOCc1ccccc1)NC(=O)c1c([O-])cccc1Cl ZINC000807876139 1135587312 /nfs/dbraw/zinc/58/73/12/1135587312.db2.gz ZQGHBCBMWSSLCF-CYBMUJFWSA-N -1 1 333.815 3.771 20 0 EHADMM [O-]c1cc(F)ccc1NC(=S)Nc1c(F)c(F)cc(F)c1F ZINC001197393542 1135683859 /nfs/dbraw/zinc/68/38/59/1135683859.db2.gz PSUPIHZWTTXFTM-UHFFFAOYSA-N -1 1 334.269 3.897 20 0 EHADMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC001251297611 1135687688 /nfs/dbraw/zinc/68/76/88/1135687688.db2.gz NXQALJUNLUJFFN-RQJHMYQMSA-N -1 1 328.648 3.581 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)n1 ZINC000808569944 1135695968 /nfs/dbraw/zinc/69/59/68/1135695968.db2.gz LDAXKXWYLPIOOH-CMDGGOBGSA-N -1 1 340.857 3.870 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)c2ccccc12 ZINC001198152259 1135779703 /nfs/dbraw/zinc/77/97/03/1135779703.db2.gz FTULKABDYZNJEQ-UHFFFAOYSA-N -1 1 349.415 3.892 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(Cl)ncc3Cl)n2)cc1F ZINC000809470557 1135839413 /nfs/dbraw/zinc/83/94/13/1135839413.db2.gz JOHNEUHBMXXABB-UHFFFAOYSA-N -1 1 326.114 3.950 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccn1 ZINC001198825477 1135857005 /nfs/dbraw/zinc/85/70/05/1135857005.db2.gz DTFGPDRDIMJVLX-UHFFFAOYSA-N -1 1 330.409 3.926 20 0 EHADMM O=C(Nc1cc(-c2ccccc2F)no1)c1c(F)ccc([O-])c1F ZINC000809665019 1135870389 /nfs/dbraw/zinc/87/03/89/1135870389.db2.gz QBIQMNKFUBQORE-UHFFFAOYSA-N -1 1 334.253 3.717 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000104906757 1135885569 /nfs/dbraw/zinc/88/55/69/1135885569.db2.gz ZKVYRNAEBWMHPA-UHFFFAOYSA-N -1 1 328.368 3.992 20 0 EHADMM O=C(Nc1cccc(Cl)c1)Nc1cc2ccc([O-])cc2oc1=O ZINC001202239697 1136118477 /nfs/dbraw/zinc/11/84/77/1136118477.db2.gz OQSPXWWDSLKDNV-UHFFFAOYSA-N -1 1 330.727 3.796 20 0 EHADMM COc1cc(F)c(F)cc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000811712527 1136123952 /nfs/dbraw/zinc/12/39/52/1136123952.db2.gz BAMGMGDVKXRHOX-BQYQJAHWSA-N -1 1 339.363 3.694 20 0 EHADMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H](C)CC2CCCCC2)[n-]1 ZINC001133688547 1136313542 /nfs/dbraw/zinc/31/35/42/1136313542.db2.gz PYVRLXJOKMXVCI-LLVKDONJSA-N -1 1 334.416 3.549 20 0 EHADMM Cc1cc(F)c(C[N-]C(=O)C(F)(F)c2ccccc2F)c(F)c1 ZINC001134275235 1136441535 /nfs/dbraw/zinc/44/15/35/1136441535.db2.gz IUCOHVQNHDVDPH-UHFFFAOYSA-N -1 1 329.268 3.821 20 0 EHADMM COc1nc(Br)ccc1NCc1cccc([O-])c1Cl ZINC000815136504 1136560740 /nfs/dbraw/zinc/56/07/40/1136560740.db2.gz DIUOIQVYFIDPDG-UHFFFAOYSA-N -1 1 343.608 3.824 20 0 EHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000854565684 1136628261 /nfs/dbraw/zinc/62/82/61/1136628261.db2.gz QYORUWXFDUTAPH-YVEFUNNKSA-N -1 1 333.815 3.630 20 0 EHADMM Cc1cc(C=CC(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1C1CCCCC1 ZINC000854635741 1136632914 /nfs/dbraw/zinc/63/29/14/1136632914.db2.gz WSNIKVLTHBGZBS-KTKRTIGZSA-N -1 1 342.443 3.999 20 0 EHADMM Cc1nc(SCC(C)C)sc1CC(=O)[N-]OCCC1CC1 ZINC000854639755 1136633357 /nfs/dbraw/zinc/63/33/57/1136633357.db2.gz PSYKXKTZRXUTHA-UHFFFAOYSA-N -1 1 328.503 3.590 20 0 EHADMM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(F)F ZINC000854682532 1136636290 /nfs/dbraw/zinc/63/62/90/1136636290.db2.gz KQYJZWINUCGQNU-VIFPVBQESA-N -1 1 342.130 3.701 20 0 EHADMM O=c1nc(CN(CCc2ccc(F)cc2)C2CC2)[n-]c2ccsc21 ZINC000265973238 1136658298 /nfs/dbraw/zinc/65/82/98/1136658298.db2.gz ACODTLUZTDDZGH-UHFFFAOYSA-N -1 1 343.427 3.743 20 0 EHADMM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1c(F)ccc([O-])c1F ZINC000855546357 1136703948 /nfs/dbraw/zinc/70/39/48/1136703948.db2.gz LVUPYBGYJPXMMS-AWEZNQCLSA-N -1 1 333.334 3.683 20 0 EHADMM Cc1nc(SCC(=O)Nc2ccc3ccccc3c2)[n-]c(=O)c1C ZINC000776870440 1136749883 /nfs/dbraw/zinc/74/98/83/1136749883.db2.gz PRLGWIXSVJENSI-UHFFFAOYSA-N -1 1 339.420 3.683 20 0 EHADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000856348980 1136779134 /nfs/dbraw/zinc/77/91/34/1136779134.db2.gz WWSUNZCJXZTMPD-OAHLLOKOSA-N -1 1 337.419 3.869 20 0 EHADMM C[C@@H](NC(=O)c1ncccc1[O-])c1cc(F)c(Cl)cc1Cl ZINC001135828349 1136783635 /nfs/dbraw/zinc/78/36/35/1136783635.db2.gz CHNPMSBMGPGXOS-SSDOTTSWSA-N -1 1 329.158 3.724 20 0 EHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccnc(F)c2F)s1 ZINC000857251425 1136857367 /nfs/dbraw/zinc/85/73/67/1136857367.db2.gz AIHLOIGRFADZAM-UHFFFAOYSA-N -1 1 332.397 3.520 20 0 EHADMM O=C([N-]Cc1nccs1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857437617 1136870345 /nfs/dbraw/zinc/87/03/45/1136870345.db2.gz ALNCRMDOHPALEL-UHFFFAOYSA-N -1 1 337.178 3.858 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@H](C)CCC1CCCCC1 ZINC000115445851 1136900956 /nfs/dbraw/zinc/90/09/56/1136900956.db2.gz PIKNHEWFAXVGJA-CYBMUJFWSA-N -1 1 338.521 3.758 20 0 EHADMM CCSc1cccnc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001136190803 1136916518 /nfs/dbraw/zinc/91/65/18/1136916518.db2.gz PRLYLCKOZVAWFI-UHFFFAOYSA-N -1 1 340.408 3.542 20 0 EHADMM O=C([N-][C@@H]1CCn2cncc21)C(F)(F)c1cccc(Cl)c1Cl ZINC000857976934 1136926740 /nfs/dbraw/zinc/92/67/40/1136926740.db2.gz OTNUFDYVPZBLAW-SNVBAGLBSA-N -1 1 346.164 3.543 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173379096 1136928229 /nfs/dbraw/zinc/92/82/29/1136928229.db2.gz IRKFTYBTRWNNNS-CHWSQXEVSA-N -1 1 345.782 3.559 20 0 EHADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc2ccccc2cc1[O-] ZINC001136266106 1136959560 /nfs/dbraw/zinc/95/95/60/1136959560.db2.gz MQIXKDQEEWOGTI-AUUYWEPGSA-N -1 1 327.424 3.871 20 0 EHADMM CCOC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC001136408929 1137015052 /nfs/dbraw/zinc/01/50/52/1137015052.db2.gz DIPSQMFILQMYTN-UHFFFAOYSA-N -1 1 349.386 3.652 20 0 EHADMM COc1cnc(C=Cc2csc(-c3ccc(F)cc3)n2)[n-]c1=O ZINC000821008653 1137015458 /nfs/dbraw/zinc/01/54/58/1137015458.db2.gz RSISSQZVXYWVAL-VOTSOKGWSA-N -1 1 329.356 3.624 20 0 EHADMM COc1cnc(C=Cc2c(C)nn(-c3ccccc3)c2Cl)[n-]c1=O ZINC000821012431 1137015784 /nfs/dbraw/zinc/01/57/84/1137015784.db2.gz JEYNGOWGFIFGLI-CMDGGOBGSA-N -1 1 342.786 3.509 20 0 EHADMM CC(C)Oc1ccccc1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000821150632 1137019189 /nfs/dbraw/zinc/01/91/89/1137019189.db2.gz JHXFKPOCOTXSEY-UHFFFAOYSA-N -1 1 345.464 3.631 20 0 EHADMM CC(C)N(Cc1ccccc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117318918 1137050311 /nfs/dbraw/zinc/05/03/11/1137050311.db2.gz AEDVLMQSGKAKHH-UHFFFAOYSA-N -1 1 339.468 3.871 20 0 EHADMM Cc1csc([C@@H](C)NC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001136588771 1137063238 /nfs/dbraw/zinc/06/32/38/1137063238.db2.gz OGQVHLSFENOZAO-SNVBAGLBSA-N -1 1 328.393 3.507 20 0 EHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1ncnc2ccsc21 ZINC000823119683 1137088005 /nfs/dbraw/zinc/08/80/05/1137088005.db2.gz BCVNDJWPBLWJQK-UHFFFAOYSA-N -1 1 345.453 3.843 20 0 EHADMM CCCCCC[C@](C)(NC(=O)c1ccc([O-])cc1F)C(=O)OCC ZINC001136712956 1137097252 /nfs/dbraw/zinc/09/72/52/1137097252.db2.gz PWCNGZXGWSMZAI-SFHVURJKSA-N -1 1 339.407 3.553 20 0 EHADMM CC1(c2nsc([N-]C(=O)c3nc(Cl)ccc3Cl)n2)CC1 ZINC000862609164 1137152058 /nfs/dbraw/zinc/15/20/58/1137152058.db2.gz MPLUCHMANPESHB-UHFFFAOYSA-N -1 1 329.212 3.544 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000825011663 1137159976 /nfs/dbraw/zinc/15/99/76/1137159976.db2.gz RKMJPWWHJQBBKV-JYAVWHMHSA-N -1 1 344.377 3.541 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)c2ccccn2)c1 ZINC000825011263 1137160376 /nfs/dbraw/zinc/16/03/76/1137160376.db2.gz DMWVTHANFJQKMJ-LBPRGKRZSA-N -1 1 337.345 3.742 20 0 EHADMM CCC[C@@H](CC)SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000794478682 1137167635 /nfs/dbraw/zinc/16/76/35/1137167635.db2.gz RNRKTSLAAIMMCF-CYBMUJFWSA-N -1 1 345.411 3.856 20 0 EHADMM C/C(=C/CN1CCC[C@H]1c1ccc(Br)cc1C)C(=O)[O-] ZINC000863476140 1137188375 /nfs/dbraw/zinc/18/83/75/1137188375.db2.gz VLYPDSFGSMCTDG-QARUFBMTSA-N -1 1 338.245 3.925 20 0 EHADMM O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1cccc([O-])c1F ZINC001144260675 1137261136 /nfs/dbraw/zinc/26/11/36/1137261136.db2.gz SQVQVZDNUQLYJL-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM Cc1ccc(C)c(N2CCN(Cc3c(F)cc([O-])cc3F)CC2)c1 ZINC001144541839 1137307007 /nfs/dbraw/zinc/30/70/07/1137307007.db2.gz LQPSNUWFJMQZLU-UHFFFAOYSA-N -1 1 332.394 3.609 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(Oc3cccc(F)c3)CC2)c(F)c1 ZINC001144555124 1137308968 /nfs/dbraw/zinc/30/89/68/1137308968.db2.gz WELNENQYTPNZEB-UHFFFAOYSA-N -1 1 337.341 3.853 20 0 EHADMM C[C@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)[C@H]1c1ccccc1 ZINC001148193339 1137418810 /nfs/dbraw/zinc/41/88/10/1137418810.db2.gz YFLKQCUEOWVCAF-HXPMCKFVSA-N -1 1 336.366 3.913 20 0 EHADMM COc1cc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2cc1OC ZINC001148207874 1137419743 /nfs/dbraw/zinc/41/97/43/1137419743.db2.gz ISRMUYOAWYEAEB-UHFFFAOYSA-N -1 1 339.347 3.521 20 0 EHADMM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001148486296 1137426673 /nfs/dbraw/zinc/42/66/73/1137426673.db2.gz SNDIPJWWAVWVBQ-LPHOPBHVSA-N -1 1 332.403 3.862 20 0 EHADMM O=C(Nc1n[nH]c2c1CCCC2)c1cccc(-c2ccccc2)c1[O-] ZINC001148861129 1137436361 /nfs/dbraw/zinc/43/63/61/1137436361.db2.gz MPFWOBQISWOASR-UHFFFAOYSA-N -1 1 333.391 3.913 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)C2CCCCC2)c1 ZINC000017356975 1137436881 /nfs/dbraw/zinc/43/68/81/1137436881.db2.gz IPJHFXYNQXOKNW-UHFFFAOYSA-N -1 1 344.484 3.707 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2scnc2C2CCCC2)c1 ZINC000282792326 1137451825 /nfs/dbraw/zinc/45/18/25/1137451825.db2.gz NHWOIGMGRTVQAF-UHFFFAOYSA-N -1 1 346.408 3.545 20 0 EHADMM Cc1cccnc1[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C(C)C ZINC000872896820 1137586264 /nfs/dbraw/zinc/58/62/64/1137586264.db2.gz UPRGFFRLVKIWNU-MRXNPFEDSA-N -1 1 347.846 3.946 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC(c2ccccn2)CC1 ZINC000876395555 1137650681 /nfs/dbraw/zinc/65/06/81/1137650681.db2.gz LHFBBDVYGIIDBW-UHFFFAOYSA-N -1 1 345.830 3.530 20 0 EHADMM Cc1cncc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC000876399024 1137650833 /nfs/dbraw/zinc/65/08/33/1137650833.db2.gz LKZLFWJMUVJBTB-MRXNPFEDSA-N -1 1 345.830 3.796 20 0 EHADMM CCN(C(=O)NCc1ccc([O-])c(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC000876396840 1137650850 /nfs/dbraw/zinc/65/08/50/1137650850.db2.gz PSKDFJSTQHWQOI-ZDUSSCGKSA-N -1 1 340.851 3.535 20 0 EHADMM Cc1nc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc(C2CC2)n1 ZINC000127496861 1137737199 /nfs/dbraw/zinc/73/71/99/1137737199.db2.gz ISCIQCFYFIGGNO-CMDGGOBGSA-N -1 1 349.843 3.728 20 0 EHADMM Cc1noc(C2CC2)c1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000129544015 1137824424 /nfs/dbraw/zinc/82/44/24/1137824424.db2.gz LJZXCQMHFSFTKW-UHFFFAOYSA-N -1 1 344.371 3.770 20 0 EHADMM CSc1nc(CNc2nc3c(cc(C)cc3C)s2)cc(=O)[n-]1 ZINC000882569828 1137829519 /nfs/dbraw/zinc/82/95/19/1137829519.db2.gz PUJMICAIQZPYEM-UHFFFAOYSA-N -1 1 332.454 3.743 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000882909952 1137837698 /nfs/dbraw/zinc/83/76/98/1137837698.db2.gz ICHUHLAMTZMSJM-CQSZACIVSA-N -1 1 337.847 3.715 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)s1 ZINC000103384069 1137876273 /nfs/dbraw/zinc/87/62/73/1137876273.db2.gz ZISNEQGGNBJERU-UHFFFAOYSA-N -1 1 349.218 3.929 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000883955410 1137882924 /nfs/dbraw/zinc/88/29/24/1137882924.db2.gz MSAKCMSUYPRKGU-UHFFFAOYSA-N -1 1 334.445 3.620 20 0 EHADMM CCCO[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000108228553 1137888974 /nfs/dbraw/zinc/88/89/74/1137888974.db2.gz QPMRNKPUHVRASL-INIZCTEOSA-N -1 1 327.424 3.967 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1cc(C(F)(F)F)ccn1 ZINC000800041644 1137895546 /nfs/dbraw/zinc/89/55/46/1137895546.db2.gz KWELZDNJFFMSAF-SOFGYWHQSA-N -1 1 346.305 3.652 20 0 EHADMM Cc1noc(C)c1CSCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667130 1137905098 /nfs/dbraw/zinc/90/50/98/1137905098.db2.gz MKAICPMTRNOUAC-UHFFFAOYSA-N -1 1 326.805 3.522 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc2cnccc21 ZINC000884429269 1137959615 /nfs/dbraw/zinc/95/96/15/1137959615.db2.gz CFHXIDSTZUGQAI-UHFFFAOYSA-N -1 1 336.395 3.589 20 0 EHADMM COc1cc(C(=O)Nc2ccc(O)c(Cl)c2)cc(Cl)c1[O-] ZINC000135211524 1137964774 /nfs/dbraw/zinc/96/47/74/1137964774.db2.gz OMHOBLTZOBHAFX-UHFFFAOYSA-N -1 1 328.151 3.666 20 0 EHADMM O=C(N[C@@H]1CCCc2cccnc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000885362001 1137996713 /nfs/dbraw/zinc/99/67/13/1137996713.db2.gz OGWTYGHBZWFDLD-CYBMUJFWSA-N -1 1 336.313 3.613 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)[C@@H]1CCSc2ccccc21 ZINC000886264530 1138062692 /nfs/dbraw/zinc/06/26/92/1138062692.db2.gz BAMCXPTZFIMPLF-CYBMUJFWSA-N -1 1 349.402 3.609 20 0 EHADMM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000076947012 1138135974 /nfs/dbraw/zinc/13/59/74/1138135974.db2.gz FHUSWUILMHOYEK-UHFFFAOYSA-N -1 1 348.712 3.516 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCCC2(CCCCC2)C1 ZINC000081720794 1138171120 /nfs/dbraw/zinc/17/11/20/1138171120.db2.gz OENHXNAAXJTITB-UHFFFAOYSA-N -1 1 345.487 3.562 20 0 EHADMM CC(C)(C)c1ccccc1NC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000085547492 1138184569 /nfs/dbraw/zinc/18/45/69/1138184569.db2.gz OHTKTVHMLNXBIV-UHFFFAOYSA-N -1 1 345.472 3.895 20 0 EHADMM Cc1cc(C)c(NC(=O)NCc2n[n-]c(=S)n2C2CC2)c(C)c1 ZINC000085545568 1138184660 /nfs/dbraw/zinc/18/46/60/1138184660.db2.gz DMAACZJJSGHELX-UHFFFAOYSA-N -1 1 331.445 3.523 20 0 EHADMM CC(C)n1c(CNC(=O)Nc2cccc(C(F)F)c2)n[n-]c1=S ZINC000085580858 1138184876 /nfs/dbraw/zinc/18/48/76/1138184876.db2.gz ZIVTZQOXTKJYDM-UHFFFAOYSA-N -1 1 341.387 3.781 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1c1ccncc1 ZINC000093913253 1138242680 /nfs/dbraw/zinc/24/26/80/1138242680.db2.gz MVZQEFCRBBKSOC-AWEZNQCLSA-N -1 1 347.212 3.527 20 0 EHADMM CCC[C@](C)(NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000889479156 1139214564 /nfs/dbraw/zinc/21/45/64/1139214564.db2.gz ARFJJCXWVRHQAA-IBGZPJMESA-N -1 1 325.412 3.505 20 0 EHADMM O=c1cc(CSc2nnc(C3CC3)s2)c2ccc([O-])cc2o1 ZINC000173945812 1139388799 /nfs/dbraw/zinc/38/87/99/1139388799.db2.gz DLYUUQQKJQCNBF-UHFFFAOYSA-N -1 1 332.406 3.520 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCCc3occc32)cc(Cl)c1[O-] ZINC000186564689 1140210238 /nfs/dbraw/zinc/21/02/38/1140210238.db2.gz YZVLVPQNVUURJB-CYBMUJFWSA-N -1 1 335.787 3.845 20 0 EHADMM Cc1nc([C@H]2CCCN2Cc2cc(=O)oc3cc([O-])ccc23)cs1 ZINC000189820471 1140366719 /nfs/dbraw/zinc/36/67/19/1140366719.db2.gz AJKFUDXTBTVTQG-MRXNPFEDSA-N -1 1 342.420 3.601 20 0 EHADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192328665 1140522586 /nfs/dbraw/zinc/52/25/86/1140522586.db2.gz OIJRIZQXGGFQON-NXEZZACHSA-N -1 1 342.823 3.533 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(SCC)c2)[n-]c1=O ZINC000193264509 1140568150 /nfs/dbraw/zinc/56/81/50/1140568150.db2.gz OENHDLHPSNZPAM-FMIVXFBMSA-N -1 1 344.436 3.619 20 0 EHADMM CC(C)n1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cn1 ZINC000266119808 1140642921 /nfs/dbraw/zinc/64/29/21/1140642921.db2.gz YMDHKUBMLHGAIZ-UHFFFAOYSA-N -1 1 334.228 3.572 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCc3c2cccc3O)cc(Cl)c1[O-] ZINC000273981478 1141456831 /nfs/dbraw/zinc/45/68/31/1141456831.db2.gz UOWGFSREETVWNK-CQSZACIVSA-N -1 1 347.798 3.567 20 0 EHADMM c1ccc2cc(Oc3c4ccccc4nnc3-c3nn[n-]n3)ccc2c1 ZINC000738442642 598934178 /nfs/dbraw/zinc/93/41/78/598934178.db2.gz QRXWGRQCAHSORJ-UHFFFAOYSA-N -1 1 340.346 3.755 20 0 EHADMM CC[C@@H](C)c1ccc(OC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000736329770 599026551 /nfs/dbraw/zinc/02/65/51/599026551.db2.gz VCNNYTPPMCSEIA-SNVBAGLBSA-N -1 1 328.397 3.661 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000320526949 597086259 /nfs/dbraw/zinc/08/62/59/597086259.db2.gz PEXRMWXXOZTFBZ-LBPRGKRZSA-N -1 1 334.803 3.682 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000819380422 597238087 /nfs/dbraw/zinc/23/80/87/597238087.db2.gz KVKQSRUPIHNASZ-JTQLQIEISA-N -1 1 342.317 3.533 20 0 EHADMM FC(F)Sc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822736817 607310909 /nfs/dbraw/zinc/31/09/09/607310909.db2.gz KPURQVMEYDYZHT-UHFFFAOYSA-N -1 1 339.396 3.855 20 0 EHADMM Clc1ccc(NCCCSc2ccccc2)nc1-c1nnn[n-]1 ZINC000737574130 598573457 /nfs/dbraw/zinc/57/34/57/598573457.db2.gz LFPNSFAEJCQBIJ-UHFFFAOYSA-N -1 1 346.847 3.509 20 0 EHADMM Clc1ccc(NCCCSc2ccccc2)nc1-c1nn[n-]n1 ZINC000737574130 598573458 /nfs/dbraw/zinc/57/34/58/598573458.db2.gz LFPNSFAEJCQBIJ-UHFFFAOYSA-N -1 1 346.847 3.509 20 0 EHADMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(C)cc1 ZINC000820925156 599464474 /nfs/dbraw/zinc/46/44/74/599464474.db2.gz FQUAVPPMDDBZPY-ZDUSSCGKSA-N -1 1 328.807 3.787 20 0 EHADMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC000820925156 599464476 /nfs/dbraw/zinc/46/44/76/599464476.db2.gz FQUAVPPMDDBZPY-ZDUSSCGKSA-N -1 1 328.807 3.787 20 0 EHADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000820927027 599502626 /nfs/dbraw/zinc/50/26/26/599502626.db2.gz YWQYFHFSCBAICO-HNNXBMFYSA-N -1 1 330.395 3.978 20 0 EHADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000820927027 599502636 /nfs/dbraw/zinc/50/26/36/599502636.db2.gz YWQYFHFSCBAICO-HNNXBMFYSA-N -1 1 330.395 3.978 20 0 EHADMM COc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000821777408 599503285 /nfs/dbraw/zinc/50/32/85/599503285.db2.gz FAZMEHLYPWWILP-LBPRGKRZSA-N -1 1 346.394 3.597 20 0 EHADMM COc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000821777408 599503288 /nfs/dbraw/zinc/50/32/88/599503288.db2.gz FAZMEHLYPWWILP-LBPRGKRZSA-N -1 1 346.394 3.597 20 0 EHADMM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000822787307 599542989 /nfs/dbraw/zinc/54/29/89/599542989.db2.gz XRUJBWMOWMAUAX-MRXNPFEDSA-N -1 1 346.369 3.653 20 0 EHADMM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000822787307 599542991 /nfs/dbraw/zinc/54/29/91/599542991.db2.gz XRUJBWMOWMAUAX-MRXNPFEDSA-N -1 1 346.369 3.653 20 0 EHADMM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cccc2cn[nH]c21 ZINC000238017170 599849330 /nfs/dbraw/zinc/84/93/30/599849330.db2.gz JWIIIDRPAKUTIT-UHFFFAOYSA-N -1 1 331.331 3.667 20 0 EHADMM CC[C@H](NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1nc(C)cs1 ZINC000736917022 599859568 /nfs/dbraw/zinc/85/95/68/599859568.db2.gz KKWLYUBEYCSLSM-HNNXBMFYSA-N -1 1 348.468 3.773 20 0 EHADMM Cc1c(Cl)c(CN(C[C@@H](C)C(=O)[O-])C2CC2)nc2ccccc12 ZINC000738287791 599949599 /nfs/dbraw/zinc/94/95/99/599949599.db2.gz FLQCDPWTYQJEBQ-LLVKDONJSA-N -1 1 332.831 3.882 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N(C)C[C@@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738230807 600145189 /nfs/dbraw/zinc/14/51/89/600145189.db2.gz QVZABAGYIHHWQB-DOMZBBRYSA-N -1 1 342.439 3.636 20 0 EHADMM COc1ccc(F)cc1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738016525 600315330 /nfs/dbraw/zinc/31/53/30/600315330.db2.gz CNDQLNYVEPBCQJ-QLJPJBMISA-N -1 1 337.778 3.964 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000738588331 600636997 /nfs/dbraw/zinc/63/69/97/600636997.db2.gz CYCZSLSQDNEJSO-OAHLLOKOSA-N -1 1 347.846 3.516 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@H](C)c2cccc(C)c2C)c(C)c1C(=O)[O-] ZINC000738694307 600640324 /nfs/dbraw/zinc/64/03/24/600640324.db2.gz YNXHSDPCXOLJFM-HIFRSBDPSA-N -1 1 342.439 3.869 20 0 EHADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(OC(F)F)cc1 ZINC000827718593 600735495 /nfs/dbraw/zinc/73/54/95/600735495.db2.gz WMXAWSKEKMMVDM-BONVTDFDSA-N -1 1 339.313 3.904 20 0 EHADMM O=C([O-])[C@@H](NCc1csc(Br)c1)c1ccccc1F ZINC000426788883 600738144 /nfs/dbraw/zinc/73/81/44/600738144.db2.gz PYYSURANYABDTF-LBPRGKRZSA-N -1 1 344.205 3.565 20 0 EHADMM CCCOCc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000829523012 600740888 /nfs/dbraw/zinc/74/08/88/600740888.db2.gz OFVOEIDEWYYBPL-SFHVURJKSA-N -1 1 331.387 3.668 20 0 EHADMM O=C([O-])[C@H](c1ccccc1F)N1CCC(C(=O)c2ccccc2)CC1 ZINC000565102472 600984240 /nfs/dbraw/zinc/98/42/40/600984240.db2.gz IRJJWCXIFWQUSL-SFHVURJKSA-N -1 1 341.382 3.546 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832948742 601109599 /nfs/dbraw/zinc/10/95/99/601109599.db2.gz CEIYJKDCSQRKMW-UHFFFAOYSA-N -1 1 335.363 3.644 20 0 EHADMM CCn1cncc1[C@H]1CCCCN1Cc1cc(C(=O)[O-])sc1C ZINC000830429875 601625607 /nfs/dbraw/zinc/62/56/07/601625607.db2.gz WERDTGBOFRHNQB-CQSZACIVSA-N -1 1 333.457 3.698 20 0 EHADMM O=C([O-])[C@H](N[C@H]1COc2ccc(Cl)cc21)c1cccc(Cl)c1 ZINC000833168175 602305264 /nfs/dbraw/zinc/30/52/64/602305264.db2.gz VOEWZBPZNCKHMA-DZGCQCFKSA-N -1 1 338.190 3.842 20 0 EHADMM O=C([O-])[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1cccc(Cl)c1 ZINC000833168176 602305447 /nfs/dbraw/zinc/30/54/47/602305447.db2.gz VOEWZBPZNCKHMA-HIFRSBDPSA-N -1 1 338.190 3.842 20 0 EHADMM C[C@@H](c1ccccc1Br)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737720328 602536718 /nfs/dbraw/zinc/53/67/18/602536718.db2.gz HOSFFAALFUWJAW-NSHDSACASA-N -1 1 341.249 3.584 20 0 EHADMM C[C@@H](C(=O)Nc1cccc(Cl)c1O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823711935 603612812 /nfs/dbraw/zinc/61/28/12/603612812.db2.gz GPZGBZBXZHOKEM-QMTHXVAHSA-N -1 1 348.786 3.629 20 0 EHADMM Cc1cccc2c1OCC[C@@H]2NCc1cccc2c1N(C(=O)[O-])CC2 ZINC000830539627 603857355 /nfs/dbraw/zinc/85/73/55/603857355.db2.gz WFFMTTUKUWISDK-KRWDZBQOSA-N -1 1 338.407 3.649 20 0 EHADMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000825256519 604195874 /nfs/dbraw/zinc/19/58/74/604195874.db2.gz YONXMCQCBFELII-DZKIICNBSA-N -1 1 343.427 3.771 20 0 EHADMM O=C([O-])N1CCC(N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000831947905 604526681 /nfs/dbraw/zinc/52/66/81/604526681.db2.gz LZCYIRCWZMIHFL-KRWDZBQOSA-N -1 1 345.830 3.556 20 0 EHADMM C[C@@H](c1ccccn1)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833550059 604565091 /nfs/dbraw/zinc/56/50/91/604565091.db2.gz QQRHAKVLTVIOJX-LBPRGKRZSA-N -1 1 334.803 3.505 20 0 EHADMM CSC[C@@H]1CCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000567596076 604676640 /nfs/dbraw/zinc/67/66/40/604676640.db2.gz WFZIGIVILSSWJW-HNNXBMFYSA-N -1 1 348.493 3.836 20 0 EHADMM COc1ccc([C@H](N[C@H](C(=O)[O-])c2cccnc2)c2ccccc2)cc1 ZINC000832244183 604973322 /nfs/dbraw/zinc/97/33/22/604973322.db2.gz AEGRQMWRONYESQ-UXHICEINSA-N -1 1 348.402 3.595 20 0 EHADMM CC(C)COC1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000567905572 605370756 /nfs/dbraw/zinc/37/07/56/605370756.db2.gz GLCLLKIQVNCICF-MRXNPFEDSA-N -1 1 343.826 3.742 20 0 EHADMM O=C([O-])Nc1cccc(CSc2nc(-c3ccccc3O)n[nH]2)c1 ZINC000834267880 605992487 /nfs/dbraw/zinc/99/24/87/605992487.db2.gz CSBPPEPMWHVQJZ-UHFFFAOYSA-N -1 1 342.380 3.560 20 0 EHADMM O=C([O-])Nc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cn1 ZINC000834260306 606021897 /nfs/dbraw/zinc/02/18/97/606021897.db2.gz OZNPFMVMALBKIU-AWEZNQCLSA-N -1 1 347.802 3.828 20 0 EHADMM Clc1nsc(Sc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826353463 608182662 /nfs/dbraw/zinc/18/26/62/608182662.db2.gz QFCNPLNFSJVYMQ-UHFFFAOYSA-N -1 1 330.225 3.781 20 0 EHADMM Clc1nsc(Sc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826353463 608182660 /nfs/dbraw/zinc/18/26/60/608182660.db2.gz QFCNPLNFSJVYMQ-UHFFFAOYSA-N -1 1 330.225 3.781 20 0 EHADMM c1ccc([C@@H](CC2CCCCC2)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520811 608411246 /nfs/dbraw/zinc/41/12/46/608411246.db2.gz RVBCHRLDEKWYIW-QGZVFWFLSA-N -1 1 349.442 3.780 20 0 EHADMM c1ccc([C@@H](CC2CCCCC2)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520811 608411247 /nfs/dbraw/zinc/41/12/47/608411247.db2.gz RVBCHRLDEKWYIW-QGZVFWFLSA-N -1 1 349.442 3.780 20 0 EHADMM CC(C)c1ccc([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824347656 608437979 /nfs/dbraw/zinc/43/79/79/608437979.db2.gz JGBICHRSXVKNNF-QGZVFWFLSA-N -1 1 349.442 3.512 20 0 EHADMM CC(C)c1ccc([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824347656 608437981 /nfs/dbraw/zinc/43/79/81/608437981.db2.gz JGBICHRSXVKNNF-QGZVFWFLSA-N -1 1 349.442 3.512 20 0 EHADMM CC(C)c1ccc(CSCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001574418166 948772116 /nfs/dbraw/zinc/77/21/16/948772116.db2.gz UKUAXTMQKLKVPP-UHFFFAOYSA-N -1 1 331.470 3.880 20 0 EHADMM CC(C)c1ccc(CSCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001574418166 948772126 /nfs/dbraw/zinc/77/21/26/948772126.db2.gz UKUAXTMQKLKVPP-UHFFFAOYSA-N -1 1 331.470 3.880 20 0 EHADMM O=C([O-])c1ccccc1CNCc1ccc2ccc(F)c(F)c2n1 ZINC001595255069 949588848 /nfs/dbraw/zinc/58/88/48/949588848.db2.gz FZDHGVATUKLBCP-UHFFFAOYSA-N -1 1 328.318 3.501 20 0 EHADMM CC(C)CCCSc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001574195283 950984372 /nfs/dbraw/zinc/98/43/72/950984372.db2.gz MGFSJFABQBWESC-UHFFFAOYSA-N -1 1 331.367 3.809 20 0 EHADMM CC(C)CCCSc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001574195283 950984393 /nfs/dbraw/zinc/98/43/93/950984393.db2.gz MGFSJFABQBWESC-UHFFFAOYSA-N -1 1 331.367 3.809 20 0 EHADMM O=C([O-])[C@H]1C[C@@H](NCc2conc2Cc2ccccc2)c2ccccc21 ZINC001594899176 954602990 /nfs/dbraw/zinc/60/29/90/954602990.db2.gz BOKFBMJOLGMIRU-AZUAARDMSA-N -1 1 348.402 3.668 20 0 EHADMM Cc1oc(CN[C@H](C)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000235185463 960394709 /nfs/dbraw/zinc/39/47/09/960394709.db2.gz CZCQIBRTMNJMDY-SECBINFHSA-N -1 1 338.201 3.900 20 0 EHADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC000263400883 962563510 /nfs/dbraw/zinc/56/35/10/962563510.db2.gz GMVQFUYSYVGPBT-QGZVFWFLSA-N -1 1 349.390 3.547 20 0 EHADMM C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315832963 963940191 /nfs/dbraw/zinc/94/01/91/963940191.db2.gz BWZKVLHSOSWECA-ISVAXAHUSA-N -1 1 339.716 3.879 20 0 EHADMM COc1cc(Cl)c(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263308484 967869147 /nfs/dbraw/zinc/86/91/47/967869147.db2.gz HQQADHQFVNOMIJ-VHSXEESVSA-N -1 1 332.227 3.687 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(F)c(Br)c1 ZINC000438790474 1022991727 /nfs/dbraw/zinc/99/17/27/1022991727.db2.gz DORYFHMVQIOHAI-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC[C@@H](CCC(=O)[O-])C3)cs2)o1 ZINC000420281072 973970258 /nfs/dbraw/zinc/97/02/58/973970258.db2.gz ZHNUDOHPILRIDG-ZDUSSCGKSA-N -1 1 334.441 3.788 20 0 EHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(Br)s1 ZINC000530180264 974364661 /nfs/dbraw/zinc/36/46/61/974364661.db2.gz WADXRPJLSRJDCG-RKDXNWHRSA-N -1 1 332.263 3.584 20 0 EHADMM CC(C)C1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000563283185 974526837 /nfs/dbraw/zinc/52/68/37/974526837.db2.gz QEGFEJWOXUGESE-UHFFFAOYSA-N -1 1 328.412 3.908 20 0 EHADMM CC[N@@H+](Cc1ccc(C(=O)[O-])cc1F)[C@@H](COC)Cc1ccccc1 ZINC000567905869 974648180 /nfs/dbraw/zinc/64/81/80/974648180.db2.gz UXTNOOMIKZZURW-GOSISDBHSA-N -1 1 345.414 3.604 20 0 EHADMM O=C([O-])c1cccc(OCCN(Cc2ccccc2F)C2CC2)c1 ZINC000582551970 974928166 /nfs/dbraw/zinc/92/81/66/974928166.db2.gz SXUAKKBUSZLXGS-UHFFFAOYSA-N -1 1 329.371 3.567 20 0 EHADMM Cc1cc(Br)c(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000629363312 975084000 /nfs/dbraw/zinc/08/40/00/975084000.db2.gz IGLVPPNXIQXDLH-JGZJWPJOSA-N -1 1 346.652 3.706 20 0 EHADMM Cc1ccc(-c2nc(CN3CC[C@@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000579711670 1014247829 /nfs/dbraw/zinc/24/78/29/1014247829.db2.gz HMDJYJGLGZKUME-CZUORRHYSA-N -1 1 330.453 3.661 20 0 EHADMM CC1(C)C[C@H](NCc2ccc(C(=O)[O-])cc2)c2cc(F)ccc2O1 ZINC000650795936 975452758 /nfs/dbraw/zinc/45/27/58/975452758.db2.gz HGOWXQRPVBPQLP-INIZCTEOSA-N -1 1 329.371 3.916 20 0 EHADMM CC(C)c1ccc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c(C(=O)[O-])c1 ZINC001591962783 976550385 /nfs/dbraw/zinc/55/03/85/976550385.db2.gz QYJGQPWDFNGTMD-GTNSWQLSSA-N -1 1 341.411 3.536 20 0 EHADMM C[C@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)Oc1ccccc1Cl ZINC001592705028 979166490 /nfs/dbraw/zinc/16/64/90/979166490.db2.gz COAXUHDAZCECMZ-NXEZZACHSA-N -1 1 340.832 3.613 20 0 EHADMM C[C@H](NCCC(C)(C)C(=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000859799555 979634395 /nfs/dbraw/zinc/63/43/95/979634395.db2.gz VAJAWJSSNBRAOW-JTQLQIEISA-N -1 1 337.807 3.542 20 0 EHADMM COc1ccc([C@@H](NCc2cc(C)ccc2OC)C(=O)[O-])cc1Cl ZINC000901848074 980572059 /nfs/dbraw/zinc/57/20/59/980572059.db2.gz KTOZRJGKCJQYSE-QGZVFWFLSA-N -1 1 349.814 3.581 20 0 EHADMM O=C([O-])CN(Cc1ccc(-c2ccccc2Cl)o1)C1CCOCC1 ZINC000901985198 980666469 /nfs/dbraw/zinc/66/64/69/980666469.db2.gz ZSLOQSSUEMHKCG-UHFFFAOYSA-N -1 1 349.814 3.666 20 0 EHADMM C[C@H](NCc1csc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC000902107328 980738078 /nfs/dbraw/zinc/73/80/78/980738078.db2.gz RBGKPXHFRPRHMA-VIFPVBQESA-N -1 1 327.352 3.899 20 0 EHADMM Cc1ccc(CNCc2ccoc2C(=O)[O-])c(OCC(F)(F)F)c1 ZINC000902344153 980843008 /nfs/dbraw/zinc/84/30/08/980843008.db2.gz DVGZCJGCOYNURS-UHFFFAOYSA-N -1 1 343.301 3.517 20 0 EHADMM CC1(C)Cc2nc(CN3CCC[C@H]3CC(=O)[O-])sc2C(C)(C)C1 ZINC000903902012 981029120 /nfs/dbraw/zinc/02/91/20/981029120.db2.gz SOVXIAGJZZESPM-LBPRGKRZSA-N -1 1 336.501 3.832 20 0 EHADMM O=C([O-])c1cnc([C@@H]2CCN(Cc3c(F)cccc3Cl)C2)s1 ZINC000903928527 981047656 /nfs/dbraw/zinc/04/76/56/981047656.db2.gz SMQJAPAGWIZPRM-SECBINFHSA-N -1 1 340.807 3.623 20 0 EHADMM C[C@@H]1CSCCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000903958300 981074417 /nfs/dbraw/zinc/07/44/17/981074417.db2.gz YTVXMIXYSOHCRV-GFCCVEGCSA-N -1 1 348.493 3.836 20 0 EHADMM Cc1cc(C)cc([C@@H](NCc2ccc(C(F)(F)F)cn2)C(=O)[O-])c1 ZINC000905386255 981105272 /nfs/dbraw/zinc/10/52/72/981105272.db2.gz AHWACFQBGJDMQU-OAHLLOKOSA-N -1 1 338.329 3.633 20 0 EHADMM CC(C)COc1ccc(C(C)(C)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC000905723336 981123711 /nfs/dbraw/zinc/12/37/11/981123711.db2.gz DQCVANNIWPPUFV-UHFFFAOYSA-N -1 1 342.439 3.840 20 0 EHADMM CC[C@@H]1CN(Cc2ncc(C(=O)[O-])s2)CC[C@H]1c1ccccc1 ZINC001595491050 981245509 /nfs/dbraw/zinc/24/55/09/981245509.db2.gz LELQHHHSDLKXKJ-UKRRQHHQSA-N -1 1 330.453 3.857 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(OCC2CC2)cc1)c1cc(F)ccc1F ZINC000683172985 1014738634 /nfs/dbraw/zinc/73/86/34/1014738634.db2.gz IWUWVOCEVKUEOH-GOSISDBHSA-N -1 1 347.361 3.669 20 0 EHADMM C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000910360001 981890827 /nfs/dbraw/zinc/89/08/27/981890827.db2.gz RNBKMNGZACWJCC-PIGZYNQJSA-N -1 1 349.390 3.566 20 0 EHADMM CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccsc2C(=O)[O-])c1 ZINC001594866088 982173781 /nfs/dbraw/zinc/17/37/81/982173781.db2.gz PISZHOOXQWMUSH-GFCCVEGCSA-N -1 1 346.452 3.721 20 0 EHADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000610194292 1014834854 /nfs/dbraw/zinc/83/48/54/1014834854.db2.gz XFPVOUJHZJGQFG-UHFFFAOYSA-N -1 1 325.430 3.880 20 0 EHADMM CCCc1ccc(CN2CCc3c(C(=O)[O-])ccc(OC)c3C2)s1 ZINC001596062902 983373719 /nfs/dbraw/zinc/37/37/19/983373719.db2.gz MGMFRYYRPNXTHH-UHFFFAOYSA-N -1 1 345.464 3.966 20 0 EHADMM CCN(Cc1cc(C(=O)[O-])no1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001596356210 983824410 /nfs/dbraw/zinc/82/44/10/983824410.db2.gz LMVYFQRQTGDHAJ-SNVBAGLBSA-N -1 1 342.317 3.975 20 0 EHADMM CCOC(OCC)[C@@H](C)NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001596790368 985265320 /nfs/dbraw/zinc/26/53/20/985265320.db2.gz MHVUZJUQEKKDLO-CYBMUJFWSA-N -1 1 347.411 3.522 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599941037 985454684 /nfs/dbraw/zinc/45/46/84/985454684.db2.gz FAXFVZYUYZQMCK-UHFFFAOYSA-N -1 1 342.395 3.575 20 0 EHADMM Cc1[nH]c(C(=O)CN2CC[C@H](C(C)(C)C)C[C@H]2C)c(C)c1C(=O)[O-] ZINC001599944164 985496107 /nfs/dbraw/zinc/49/61/07/985496107.db2.gz JKTWLWCYCNCEKB-RISCZKNCSA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC001599962020 985802224 /nfs/dbraw/zinc/80/22/24/985802224.db2.gz YKZNNANJASXYHW-QGZVFWFLSA-N -1 1 328.412 3.581 20 0 EHADMM Cc1ccc(-c2nc(CN3C[C@H](C(=O)[O-])CC[C@H]3C)cs2)cc1 ZINC000263521903 1125495923 /nfs/dbraw/zinc/49/59/23/1125495923.db2.gz RIMQPPSANQHSJR-UKRRQHHQSA-N -1 1 330.453 3.804 20 0 EHADMM CCOc1ccc(Cl)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC001597106322 986747654 /nfs/dbraw/zinc/74/76/54/986747654.db2.gz NORNGOINQWLPPJ-UHFFFAOYSA-N -1 1 325.836 3.816 20 0 EHADMM CCOc1ccc2nc(SC[C@H]3CCCC[C@H]3C(=O)[O-])[nH]c2c1 ZINC001597145971 986909008 /nfs/dbraw/zinc/90/90/08/986909008.db2.gz QCFCXUOAOUCVJN-DGCLKSJQSA-N -1 1 334.441 3.945 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000655276120 1015300262 /nfs/dbraw/zinc/30/02/62/1015300262.db2.gz CAXSGMIHVGFRSO-INIZCTEOSA-N -1 1 325.408 3.719 20 0 EHADMM CCc1c2ccccc2oc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001597413004 987709527 /nfs/dbraw/zinc/70/95/27/987709527.db2.gz UYOMUIWVNAWFCT-UHFFFAOYSA-N -1 1 349.346 3.822 20 0 EHADMM CCc1cc(C(=O)[O-])ccc1NC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC001597465458 987904567 /nfs/dbraw/zinc/90/45/67/987904567.db2.gz GXRCFRNSBPADHV-UHFFFAOYSA-N -1 1 349.390 3.898 20 0 EHADMM CSCc1ccc(CN2CCOc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001599802784 988204636 /nfs/dbraw/zinc/20/46/36/988204636.db2.gz SPARQXWUAHFNMU-UHFFFAOYSA-N -1 1 343.448 3.642 20 0 EHADMM CCc1ccc2ccccc2c1CNCc1ncc(C(=O)[O-])s1 ZINC001597570361 988341340 /nfs/dbraw/zinc/34/13/40/988341340.db2.gz FMSDOEARHUGVJW-UHFFFAOYSA-N -1 1 326.421 3.847 20 0 EHADMM CSc1ccc([C@H](C)NCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001599821378 988519383 /nfs/dbraw/zinc/51/93/83/988519383.db2.gz YLVNWVJKZMMJLK-NSHDSACASA-N -1 1 346.452 3.585 20 0 EHADMM CN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccc(OC(F)F)cc1 ZINC001598520257 992671095 /nfs/dbraw/zinc/67/10/95/992671095.db2.gz SBLTWZLZNVGOHA-CMDGGOBGSA-N -1 1 337.322 3.611 20 0 EHADMM C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ccc(C(=O)[O-])o1 ZINC001593198698 994174346 /nfs/dbraw/zinc/17/43/46/994174346.db2.gz UAUBUAXOXPDHLW-UWVGGRQHSA-N -1 1 325.311 3.991 20 0 EHADMM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1cncc([O-])c1 ZINC000339894111 1015843162 /nfs/dbraw/zinc/84/31/62/1015843162.db2.gz YCZQTBHKOMUGMV-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM COc1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])cc1F)CCC2 ZINC001599631289 994222513 /nfs/dbraw/zinc/22/25/13/994222513.db2.gz DDDIESYZZPHIRA-GOSISDBHSA-N -1 1 329.371 3.700 20 0 EHADMM C[C@@H](NC1(c2ccc(F)cc2)CC1)c1ccccc1OCC(=O)[O-] ZINC001593208358 994224047 /nfs/dbraw/zinc/22/40/47/994224047.db2.gz BHHLNCWKJRKARN-CYBMUJFWSA-N -1 1 329.371 3.629 20 0 EHADMM C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1ncc(C(=O)[O-])s1 ZINC001593219165 994297105 /nfs/dbraw/zinc/29/71/05/994297105.db2.gz KPVQUSKZXQGGSA-CYZMBNFOSA-N -1 1 338.473 3.618 20 0 EHADMM C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccc1OCC(=O)[O-] ZINC001593232270 994382981 /nfs/dbraw/zinc/38/29/81/994382981.db2.gz NETRIMFINGXGPU-SJKOYZFVSA-N -1 1 329.371 3.627 20 0 EHADMM C[C@@](NCc1cc2ccccc2nc1Cl)(C(=O)[O-])c1ccccc1 ZINC001593292155 994674755 /nfs/dbraw/zinc/67/47/55/994674755.db2.gz IRJASXBDHIVHDA-IBGZPJMESA-N -1 1 340.810 3.978 20 0 EHADMM C[C@H](NCc1cccc(C(F)(F)F)n1)c1cc(C(=O)[O-])cs1 ZINC001593303693 994737994 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C[C@H](Oc1ccccc1CNCc1coc2ccccc12)C(=O)[O-] ZINC001593648297 995996277 /nfs/dbraw/zinc/99/62/77/995996277.db2.gz HVXCOKPAXSSAFD-ZDUSSCGKSA-N -1 1 325.364 3.575 20 0 EHADMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001593694301 996149934 /nfs/dbraw/zinc/14/99/34/996149934.db2.gz WLUMDKDNPCFCRY-INNHCVQGSA-N -1 1 338.181 3.952 20 0 EHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CC[C@@H](CSc2ccccc2)C1 ZINC001593726024 996286000 /nfs/dbraw/zinc/28/60/00/996286000.db2.gz XWKBUXBDIPONGO-QWHCGFSZSA-N -1 1 332.425 3.548 20 0 EHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC001593728136 996288455 /nfs/dbraw/zinc/28/84/55/996288455.db2.gz CADSEDYYOQFBRV-JLTOFOAXSA-N -1 1 340.423 3.804 20 0 EHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC001593728137 996288721 /nfs/dbraw/zinc/28/87/21/996288721.db2.gz CADSEDYYOQFBRV-VBKZILBWSA-N -1 1 340.423 3.804 20 0 EHADMM CC1(C)C[C@@H](N(Cc2ccoc2C(=O)[O-])Cc2ccccc2)CO1 ZINC001593853255 996630717 /nfs/dbraw/zinc/63/07/17/996630717.db2.gz CEPJBTLXVZKKJI-MRXNPFEDSA-N -1 1 329.396 3.548 20 0 EHADMM CC1(C)C[C@H](N(Cc2cc(C(=O)[O-])co2)Cc2ccccc2)CO1 ZINC001593854972 996639291 /nfs/dbraw/zinc/63/92/91/996639291.db2.gz UAJZALBJQWSINQ-INIZCTEOSA-N -1 1 329.396 3.548 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccccc1OC ZINC001599500261 997104790 /nfs/dbraw/zinc/10/47/90/997104790.db2.gz NXASDTSYYHMFLR-KRWDZBQOSA-N -1 1 341.407 3.739 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC001599501963 997139263 /nfs/dbraw/zinc/13/92/63/997139263.db2.gz YXEXNYFGJUIALL-UHFFFAOYSA-N -1 1 335.350 3.697 20 0 EHADMM C[C@]12CCN(Cc3[nH]cc(C(=O)[O-])c3C3CC3)C[C@H]1C2(Cl)Cl ZINC001594087574 998018597 /nfs/dbraw/zinc/01/85/97/998018597.db2.gz IYQIZYJEOVHPFM-DOMZBBRYSA-N -1 1 343.254 3.606 20 0 EHADMM Cn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(-c2ccccc2)n1 ZINC000182874329 1032146186 /nfs/dbraw/zinc/14/61/86/1032146186.db2.gz NKOPFLBTGCHOHK-UHFFFAOYSA-N -1 1 327.771 3.698 20 0 EHADMM C[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC001594426343 999593605 /nfs/dbraw/zinc/59/36/05/999593605.db2.gz JOIFHVSPWPEMFL-ORAYPTAESA-N -1 1 335.407 3.844 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000177613821 1016398612 /nfs/dbraw/zinc/39/86/12/1016398612.db2.gz CGXAQTQUKJWDGW-AEFFLSMTSA-N -1 1 337.419 3.909 20 0 EHADMM CC[C@H]1CC[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000552026178 1016544433 /nfs/dbraw/zinc/54/44/33/1016544433.db2.gz AAUZANBSLDWPLG-GZMMTYOYSA-N -1 1 348.624 3.704 20 0 EHADMM O=C(NCC1(c2ccccc2)CCCC1)c1c[nH]c2ccccc2c1=O ZINC000032918489 1016799213 /nfs/dbraw/zinc/79/92/13/1016799213.db2.gz OBEILRRTBDZATN-UHFFFAOYSA-N -1 1 346.430 3.770 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000179374142 1016867888 /nfs/dbraw/zinc/86/78/88/1016867888.db2.gz KCYXSNMQNUYTCD-FZMZJTMJSA-N -1 1 338.245 3.950 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cnn(-c2cccc(Cl)c2)c1 ZINC000340331163 1016956096 /nfs/dbraw/zinc/95/60/96/1016956096.db2.gz YJAKEZPVIDRMPP-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000340331089 1016956545 /nfs/dbraw/zinc/95/65/45/1016956545.db2.gz YIGVFAZYNHIDRQ-UHFFFAOYSA-N -1 1 339.370 3.515 20 0 EHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000538297297 1032279372 /nfs/dbraw/zinc/27/93/72/1032279372.db2.gz WFGBVJRGJOYUBO-UHFFFAOYSA-N -1 1 329.393 3.796 20 0 EHADMM COc1cc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)cc(Cl)c1[O-] ZINC000460185670 1032656623 /nfs/dbraw/zinc/65/66/23/1032656623.db2.gz KWSLYWMCOWKWDB-UHFFFAOYSA-N -1 1 349.858 3.951 20 0 EHADMM Cc1csc([C@@H](C)CNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000182617051 1017128268 /nfs/dbraw/zinc/12/82/68/1017128268.db2.gz UUWIOXDLOJGAKS-NSHDSACASA-N -1 1 326.421 3.844 20 0 EHADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1coc(C2CCC2)n1 ZINC000683444209 1017147657 /nfs/dbraw/zinc/14/76/57/1017147657.db2.gz YQCICDRJBIVRDO-UHFFFAOYSA-N -1 1 332.410 3.774 20 0 EHADMM C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1ccc([O-])c(F)c1 ZINC001167291079 1017336191 /nfs/dbraw/zinc/33/61/91/1017336191.db2.gz SSQOYRMHLLZWPY-APPDUMDISA-N -1 1 349.789 3.787 20 0 EHADMM Cc1ccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)c1 ZINC000613667151 1017679115 /nfs/dbraw/zinc/67/91/15/1017679115.db2.gz JSKLWOAIMJBTGX-UHFFFAOYSA-N -1 1 335.407 3.970 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H]3CCCN3c3ccccc3)n2)cc1F ZINC000377475379 1017873278 /nfs/dbraw/zinc/87/32/78/1017873278.db2.gz OLYKQQWNQKJPNY-HNNXBMFYSA-N -1 1 325.343 3.923 20 0 EHADMM COC[C@H](C)Nc1ccccc1NC(=O)c1cc(SC)ccc1[O-] ZINC000614373278 1018887957 /nfs/dbraw/zinc/88/79/57/1018887957.db2.gz JUUWWBBYOSJYLA-LBPRGKRZSA-N -1 1 346.452 3.813 20 0 EHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3ccncc32)c(C)c1 ZINC000576459225 1019039510 /nfs/dbraw/zinc/03/95/10/1019039510.db2.gz IKLRHIUIYZUYFF-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM COc1ccc2nccc(Nc3cc(Cl)c([O-])c(Cl)c3)c2n1 ZINC001210926603 1019057731 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O=C([O-])c1sccc1CN1CCC(Oc2ccccc2F)CC1 ZINC000634696197 1019277778 /nfs/dbraw/zinc/27/77/78/1019277778.db2.gz NIAUKWSWFZNWNW-UHFFFAOYSA-N -1 1 335.400 3.629 20 0 EHADMM O=[P@]([O-])(O)C1(Nc2ccccc2C2CC2)Cc2ccccc2C1 ZINC001167939024 1019286881 /nfs/dbraw/zinc/28/68/81/1019286881.db2.gz NAEYFZJQFGHSJK-UHFFFAOYSA-N -1 1 329.336 3.649 20 0 EHADMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)c(C)cc1C ZINC000471581284 1019440034 /nfs/dbraw/zinc/44/00/34/1019440034.db2.gz OCEOSCJCZCXXMY-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1 ZINC000513365002 1019573412 /nfs/dbraw/zinc/57/34/12/1019573412.db2.gz PQJREIRXPSOGDW-UHFFFAOYSA-N -1 1 341.379 3.960 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c(Cl)c1C ZINC000647134923 1020139024 /nfs/dbraw/zinc/13/90/24/1020139024.db2.gz PEMQUSOVZVIUIZ-UHFFFAOYSA-N -1 1 327.837 3.535 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cn2c(n1)CCCC2 ZINC001167444659 1020391435 /nfs/dbraw/zinc/39/14/35/1020391435.db2.gz 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CC(C)c1csc(NC(=O)c2cc(Br)ccc2[O-])n1 ZINC000010637764 1023995639 /nfs/dbraw/zinc/99/56/39/1023995639.db2.gz BFTONYZTHZVXCF-UHFFFAOYSA-N -1 1 341.230 3.987 20 0 EHADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000443943721 1024141498 /nfs/dbraw/zinc/14/14/98/1024141498.db2.gz LWVBLZBBADQOSN-LDYMZIIASA-N -1 1 329.771 3.595 20 0 EHADMM CCC[C@@H](OCC)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000528980311 1033189650 /nfs/dbraw/zinc/18/96/50/1033189650.db2.gz VWSSHZWEKUSUGZ-GFCCVEGCSA-N -1 1 330.222 3.607 20 0 EHADMM COc1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)c([O-])c1 ZINC000094068091 1024183434 /nfs/dbraw/zinc/18/34/34/1024183434.db2.gz MJKGCNYMBIDDKU-UHFFFAOYSA-N -1 1 340.301 3.627 20 0 EHADMM Cc1cc(Cl)cc(C)c1CN=c1[n-]ncn1Cc1ccccc1 ZINC000548616600 1024762869 /nfs/dbraw/zinc/76/28/69/1024762869.db2.gz NKJWWUQESNJRGI-UHFFFAOYSA-N -1 1 326.831 3.631 20 0 EHADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc2c(c1)CCCO2 ZINC001167510108 1024802595 /nfs/dbraw/zinc/80/25/95/1024802595.db2.gz WHSDFIXOVYURMS-LLVKDONJSA-N -1 1 331.799 3.862 20 0 EHADMM Cc1ccc(CS(=O)(=O)[N-]C2(C(F)F)CCCCC2)cc1F ZINC000508095126 1024895905 /nfs/dbraw/zinc/89/59/05/1024895905.db2.gz NDDWFUIUOXCMMI-UHFFFAOYSA-N -1 1 335.391 3.522 20 0 EHADMM Cc1ccc(-c2csc(NC(=O)c3cncc([O-])c3)n2)cc1C ZINC000346578776 1024917562 /nfs/dbraw/zinc/91/75/62/1024917562.db2.gz MRJHCAPWPLGZGS-UHFFFAOYSA-N -1 1 325.393 3.780 20 0 EHADMM O=S(=O)([N-]c1nc2ccc(F)cc2[nH]1)c1csc2ccccc21 ZINC000508190702 1024942206 /nfs/dbraw/zinc/94/22/06/1024942206.db2.gz MIJXGGLAIOANDH-UHFFFAOYSA-N -1 1 347.396 3.718 20 0 EHADMM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n[nH]1 ZINC000474433127 1024964248 /nfs/dbraw/zinc/96/42/48/1024964248.db2.gz NWFLYXONTQNKQL-UHFFFAOYSA-N -1 1 348.255 3.716 20 0 EHADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000097094534 1024995066 /nfs/dbraw/zinc/99/50/66/1024995066.db2.gz NCSDSMLAORBSLO-AWEZNQCLSA-N -1 1 347.418 3.776 20 0 EHADMM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccccc1[O-] ZINC000191812265 1025135135 /nfs/dbraw/zinc/13/51/35/1025135135.db2.gz GTFZJZSKUWBHHK-NSHDSACASA-N -1 1 335.787 3.712 20 0 EHADMM O=c1cc(C(F)(F)F)nc(CNc2cc(Cl)cc(F)c2F)[n-]1 ZINC000442103779 1025169033 /nfs/dbraw/zinc/16/90/33/1025169033.db2.gz BGKURSBVUOAPPF-UHFFFAOYSA-N -1 1 339.651 3.745 20 0 EHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000436167054 1025429306 /nfs/dbraw/zinc/42/93/06/1025429306.db2.gz AGESBLDPEBKXDT-UHFFFAOYSA-N -1 1 342.420 3.602 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000474811175 1025491051 /nfs/dbraw/zinc/49/10/51/1025491051.db2.gz NHQHUHHOBKNIDC-JSGCOSHPSA-N -1 1 333.476 3.734 20 0 EHADMM COc1cc(C(=O)N2CC[C@@H](c3ccccc3C)C2)cc(Cl)c1[O-] ZINC000442955355 1025606782 /nfs/dbraw/zinc/60/67/82/1025606782.db2.gz KRKSZLZNHXQTCJ-CYBMUJFWSA-N -1 1 345.826 3.992 20 0 EHADMM COc1cc(-c2nc(COc3ccccc3)no2)cc(Cl)c1[O-] ZINC000443094074 1025725716 /nfs/dbraw/zinc/72/57/16/1025725716.db2.gz BLACWJRVOINOSH-UHFFFAOYSA-N -1 1 332.743 3.683 20 0 EHADMM O=S(=O)([N-][C@H]1CCCc2ccc(F)cc21)c1cc2ccccc2o1 ZINC000530380456 1025734834 /nfs/dbraw/zinc/73/48/34/1025734834.db2.gz BXMGBZCOSJVNOM-INIZCTEOSA-N -1 1 345.395 3.928 20 0 EHADMM CCOc1cc(-c2nc(-c3nc(C)cs3)no2)cc(Cl)c1[O-] ZINC000443192583 1025791882 /nfs/dbraw/zinc/79/18/82/1025791882.db2.gz DBKATCOUZLLQLT-UHFFFAOYSA-N -1 1 337.788 3.926 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CCc2ccccc2F)c1 ZINC000436515781 1025813028 /nfs/dbraw/zinc/81/30/28/1025813028.db2.gz SXXVKTHQOOYQRK-LBPRGKRZSA-N -1 1 345.370 3.525 20 0 EHADMM Cc1nc(CC2CC2)sc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000582326904 1025851202 /nfs/dbraw/zinc/85/12/02/1025851202.db2.gz AHKPOLSXSJRTIK-UHFFFAOYSA-N -1 1 331.372 3.966 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)C1(C2CCC2)CCC1 ZINC000840583394 1025864377 /nfs/dbraw/zinc/86/43/77/1025864377.db2.gz YWRFNIBDBVSHQU-UHFFFAOYSA-N -1 1 328.364 3.512 20 0 EHADMM COc1ccc(N(CC(C)C)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436538675 1025865198 /nfs/dbraw/zinc/86/51/98/1025865198.db2.gz IQSNSHNSQAPYMA-UHFFFAOYSA-N -1 1 329.396 3.712 20 0 EHADMM Cn1cc([C@H](NC(=O)c2cc3ccccc3cc2[O-])C(C)(C)C)cn1 ZINC000436577593 1025881053 /nfs/dbraw/zinc/88/10/53/1025881053.db2.gz TXYASGAHPLLEQJ-SFHVURJKSA-N -1 1 337.423 3.796 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)cc(Cl)c1[O-] ZINC000443289011 1025883739 /nfs/dbraw/zinc/88/37/39/1025883739.db2.gz CCLGNQGJUYVEDG-MFKMUULPSA-N -1 1 325.836 3.999 20 0 EHADMM CN1CCN(C(=O)c2ccc3ccccc3c2[O-])Cc2ccccc21 ZINC000436564614 1025894981 /nfs/dbraw/zinc/89/49/81/1025894981.db2.gz QLAUCXIMOYPXIB-UHFFFAOYSA-N -1 1 332.403 3.638 20 0 EHADMM COc1cc(C(=O)Nc2ccc3ccn(C)c3c2)cc(Cl)c1[O-] ZINC000443332494 1025908561 /nfs/dbraw/zinc/90/85/61/1025908561.db2.gz HWUZLHKMPZGWLC-UHFFFAOYSA-N -1 1 330.771 3.798 20 0 EHADMM O=C(NCc1csc(-c2ccco2)n1)c1cc(Cl)ccc1[O-] ZINC000436596805 1025913824 /nfs/dbraw/zinc/91/38/24/1025913824.db2.gz NQCPQXYKTIZBCM-UHFFFAOYSA-N -1 1 334.784 3.692 20 0 EHADMM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436586643 1025927492 /nfs/dbraw/zinc/92/74/92/1025927492.db2.gz BZKCCBQYMHDUPZ-BCLQGDPASA-N -1 1 335.419 3.731 20 0 EHADMM CCCCCCO[C@@H](C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000840595971 1025953269 /nfs/dbraw/zinc/95/32/69/1025953269.db2.gz JNPSZMUKBAJICY-ZDUSSCGKSA-N -1 1 348.395 3.527 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@H](C)CC(C)(C)C ZINC000443388463 1025977825 /nfs/dbraw/zinc/97/78/25/1025977825.db2.gz LJTMOVBVLFXLKJ-LBPRGKRZSA-N -1 1 335.492 3.980 20 0 EHADMM C[C@H]1CCCc2cc(-c3noc(-c4ccc([O-])cc4F)n3)c(=O)[nH]c21 ZINC000896769233 1025989027 /nfs/dbraw/zinc/98/90/27/1025989027.db2.gz HKXMYHIVVWEULO-VIFPVBQESA-N -1 1 341.342 3.789 20 0 EHADMM Cc1csc(-c2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)n1 ZINC000436663375 1026002063 /nfs/dbraw/zinc/00/20/63/1026002063.db2.gz GDHMGRKZSIMCKO-UHFFFAOYSA-N -1 1 338.388 3.646 20 0 EHADMM O=C(NCC(c1ccccc1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436666305 1026004395 /nfs/dbraw/zinc/00/43/95/1026004395.db2.gz UJCNPKGADKTPRO-UHFFFAOYSA-N -1 1 345.398 3.523 20 0 EHADMM CC(C)c1nc(=NCCCc2ccc(Br)cc2F)o[n-]1 ZINC000522966187 1026011170 /nfs/dbraw/zinc/01/11/70/1026011170.db2.gz DPYVENGXDPTJCP-UHFFFAOYSA-N -1 1 342.212 3.561 20 0 EHADMM COC(=O)CCc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436681095 1026032488 /nfs/dbraw/zinc/03/24/88/1026032488.db2.gz QQESVVGLZZPQEG-UHFFFAOYSA-N -1 1 341.407 3.874 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])Cc2ccccc2O1 ZINC000436689317 1026047335 /nfs/dbraw/zinc/04/73/35/1026047335.db2.gz QGRRAZMEMOKFNW-CQSZACIVSA-N -1 1 333.387 3.969 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000045095885 1026060482 /nfs/dbraw/zinc/06/04/82/1026060482.db2.gz IGYJAIKGLCXTTO-UHFFFAOYSA-N -1 1 333.800 3.531 20 0 EHADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(Br)ccc3[O-])C2)C1 ZINC000436705506 1026067238 /nfs/dbraw/zinc/06/72/38/1026067238.db2.gz OUOGUBQAMYRUHH-BDJLRTHQSA-N -1 1 338.245 3.807 20 0 EHADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(Br)cc3[O-])C2)C1 ZINC000436726528 1026076094 /nfs/dbraw/zinc/07/60/94/1026076094.db2.gz YRVQBOFQBNMRFS-MEDUHNTESA-N -1 1 338.245 3.807 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)c([O-])c1 ZINC000436714675 1026082762 /nfs/dbraw/zinc/08/27/62/1026082762.db2.gz MYLKPKLXCCSEEK-UHFFFAOYSA-N -1 1 340.408 3.681 20 0 EHADMM COC1(c2ccccc2)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436721040 1026090867 /nfs/dbraw/zinc/09/08/67/1026090867.db2.gz KZEJCMBCLCQITG-UHFFFAOYSA-N -1 1 333.387 3.543 20 0 EHADMM O=C(NCc1coc(-c2cccs2)n1)c1ccc(Cl)cc1[O-] ZINC000436757846 1026127892 /nfs/dbraw/zinc/12/78/92/1026127892.db2.gz VJFNGEAWJPOPJP-UHFFFAOYSA-N -1 1 334.784 3.692 20 0 EHADMM O=C(NCCc1nc2ccccc2s1)c1cc(Cl)ccc1[O-] ZINC000436759504 1026130637 /nfs/dbraw/zinc/13/06/37/1026130637.db2.gz YVMZOSCIHCRSHY-UHFFFAOYSA-N -1 1 332.812 3.628 20 0 EHADMM COc1ccc2cc(CN(C)C(=O)c3cc(F)ccc3[O-])ccc2c1 ZINC000436749808 1026138451 /nfs/dbraw/zinc/13/84/51/1026138451.db2.gz CIEVPIZIWCDZQI-UHFFFAOYSA-N -1 1 339.366 3.965 20 0 EHADMM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000436751657 1026139708 /nfs/dbraw/zinc/13/97/08/1026139708.db2.gz UJKIZTXPRKFWMD-GUYCJALGSA-N -1 1 331.799 3.553 20 0 EHADMM CCCCOc1ccc(OC)cc1NC(=O)c1ccc(OC)cc1[O-] ZINC000436757074 1026146172 /nfs/dbraw/zinc/14/61/72/1026146172.db2.gz GINWEPGUXPVDDY-UHFFFAOYSA-N -1 1 345.395 3.841 20 0 EHADMM CCCCc1nnc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000684874956 1026285687 /nfs/dbraw/zinc/28/56/87/1026285687.db2.gz ZFIVMCXZVZZJHT-UHFFFAOYSA-N -1 1 345.346 3.857 20 0 EHADMM Cc1noc(C2CC2)c1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877829 1026297090 /nfs/dbraw/zinc/29/70/90/1026297090.db2.gz ZEUKAELATGGEKM-UHFFFAOYSA-N -1 1 326.274 3.837 20 0 EHADMM O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(O)cc1[O-] ZINC000192656163 1026317846 /nfs/dbraw/zinc/31/78/46/1026317846.db2.gz MYIZHNQARAZNDY-UHFFFAOYSA-N -1 1 345.358 3.893 20 0 EHADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ccccc1OC(F)F ZINC000176675994 1026401917 /nfs/dbraw/zinc/40/19/17/1026401917.db2.gz QZDVABNKSYHPRE-MDZDMXLPSA-N -1 1 343.326 3.840 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3cccc(C)c3C)cnc2n1 ZINC000451947194 1026407826 /nfs/dbraw/zinc/40/78/26/1026407826.db2.gz OVZHTYABSOQSTM-UHFFFAOYSA-N -1 1 335.407 3.533 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)Cc1cccc(C)c1C)c2=O ZINC000451947194 1026407831 /nfs/dbraw/zinc/40/78/31/1026407831.db2.gz OVZHTYABSOQSTM-UHFFFAOYSA-N -1 1 335.407 3.533 20 0 EHADMM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1cnc(C2CC2)o1 ZINC001125612705 1026862859 /nfs/dbraw/zinc/86/28/59/1026862859.db2.gz UTACIQMWCWUGEY-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM Cc1nc(-c2ccc(N3CC[C@]4(CC[C@@H](C)C4)C3)nc2)[n-]c(=O)c1C ZINC000302036861 1027030817 /nfs/dbraw/zinc/03/08/17/1027030817.db2.gz FVHKFJMGAMYNLV-XCLFUZPHSA-N -1 1 338.455 3.878 20 0 EHADMM O=C([N-]c1nnc(-c2ccco2)s1)c1coc(-c2ccccc2)n1 ZINC000078050134 1027489551 /nfs/dbraw/zinc/48/95/51/1027489551.db2.gz SSFGXTOFBYTLRR-UHFFFAOYSA-N -1 1 338.348 3.705 20 0 EHADMM Cc1nc(C2CC2)oc1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000273717519 1027577862 /nfs/dbraw/zinc/57/78/62/1027577862.db2.gz REHVZEQFBIOQST-UHFFFAOYSA-N -1 1 340.408 3.555 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)n1 ZINC000414460412 1027624912 /nfs/dbraw/zinc/62/49/12/1027624912.db2.gz QKBMGUFBBFVIJS-UHFFFAOYSA-N -1 1 344.358 3.826 20 0 EHADMM CC(C)Cc1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000134823989 1028151110 /nfs/dbraw/zinc/15/11/10/1028151110.db2.gz IPGYRYCPTOBEMT-UHFFFAOYSA-N -1 1 346.387 3.783 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1F ZINC000614843613 1028169409 /nfs/dbraw/zinc/16/94/09/1028169409.db2.gz CJGNYJGSDCZYDS-UHFFFAOYSA-N -1 1 337.416 3.970 20 0 EHADMM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cc(C2CC2)ccn1 ZINC000582899534 1028197082 /nfs/dbraw/zinc/19/70/82/1028197082.db2.gz ZCQCFBIWJXOWKJ-UHFFFAOYSA-N -1 1 336.844 3.597 20 0 EHADMM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000614852276 1028210574 /nfs/dbraw/zinc/21/05/74/1028210574.db2.gz KNYCLUXLAPJAAA-UHFFFAOYSA-N -1 1 349.452 3.820 20 0 EHADMM CCOc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1OC ZINC000055631854 1028281735 /nfs/dbraw/zinc/28/17/35/1028281735.db2.gz OCQNATLQJUULRV-UHFFFAOYSA-N -1 1 341.816 3.548 20 0 EHADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000067033310 1028352031 /nfs/dbraw/zinc/35/20/31/1028352031.db2.gz WOKMFZYIMXIZHP-MRXNPFEDSA-N -1 1 347.418 3.745 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000614863562 1028359825 /nfs/dbraw/zinc/35/98/25/1028359825.db2.gz BJRCHQRVPFHDSL-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2C1 ZINC000069164701 1028421209 /nfs/dbraw/zinc/42/12/09/1028421209.db2.gz UKSAXRWAKKMWBX-CQSZACIVSA-N -1 1 346.471 3.876 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(Cc2ccccc2)CC1 ZINC000343010798 1028626789 /nfs/dbraw/zinc/62/67/89/1028626789.db2.gz XOSDRZLVRHIXAR-UHFFFAOYSA-N -1 1 333.391 3.744 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc21 ZINC000195328432 1028630063 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CC(=O)c1cccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445447450 1028805902 /nfs/dbraw/zinc/80/59/02/1028805902.db2.gz HNYJFFWFBVWOKB-UHFFFAOYSA-N -1 1 344.754 3.877 20 0 EHADMM CC(C)C[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CC(=O)N1 ZINC000445446681 1028807297 /nfs/dbraw/zinc/80/72/97/1028807297.db2.gz FJCSPFVVYPVTKO-MNOVXSKESA-N -1 1 349.818 3.504 20 0 EHADMM CCN(c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cn1)C(C)C ZINC000445470227 1028816696 /nfs/dbraw/zinc/81/66/96/1028816696.db2.gz DMNRVZDMCTUUGD-UHFFFAOYSA-N -1 1 342.374 3.878 20 0 EHADMM O=C(CCc1nc(-c2ccc([O-])c(F)c2)no1)c1cccc(F)c1 ZINC000445472263 1028819466 /nfs/dbraw/zinc/81/94/66/1028819466.db2.gz JSTSFWUAYQCZKP-UHFFFAOYSA-N -1 1 330.290 3.536 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc(-c4ccccn4)s3)n2)c(F)c1 ZINC000445455485 1028822982 /nfs/dbraw/zinc/82/29/82/1028822982.db2.gz KTFOWVLBBFLBTE-UHFFFAOYSA-N -1 1 340.339 3.767 20 0 EHADMM COc1ccc([C@@H](C)Cc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457341 1028826803 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COC(=O)c1c[n-]c(SCc2csc(C3CCCCC3)n2)n1 ZINC000187583443 1035844436 /nfs/dbraw/zinc/84/44/36/1035844436.db2.gz GROVHNLUTSZYKE-UHFFFAOYSA-N -1 1 337.470 3.993 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2ncc(-c3cccc(Cl)c3)o2)n1 ZINC000188092778 1035893504 /nfs/dbraw/zinc/89/35/04/1035893504.db2.gz GXJJQPFQSRAXSN-UHFFFAOYSA-N -1 1 347.827 3.933 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2snnc2C(C)(C)C)s1 ZINC000188992815 1036000675 /nfs/dbraw/zinc/00/06/75/1036000675.db2.gz LCLRTAKMCSIWAH-UHFFFAOYSA-N -1 1 339.490 3.843 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000175287629 1036301715 /nfs/dbraw/zinc/30/17/15/1036301715.db2.gz IMYDHIZNZHZXAL-MRXNPFEDSA-N -1 1 345.826 3.519 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000376376502 1036377830 /nfs/dbraw/zinc/37/78/30/1036377830.db2.gz LIMVLWVBLPHHKB-OAHLLOKOSA-N -1 1 340.826 3.920 20 0 EHADMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)s1 ZINC000464406055 1036429594 /nfs/dbraw/zinc/42/95/94/1036429594.db2.gz USBVVOURDOORCY-VIFPVBQESA-N -1 1 347.864 3.759 20 0 EHADMM CC[C@H](C)c1n[n-]c(=N[C@H](C)[C@H](OC)c2ccccc2Cl)n1C ZINC000572889031 1036529884 /nfs/dbraw/zinc/52/98/84/1036529884.db2.gz VXHRWAFTSIEFMF-ZOWXZIJZSA-N -1 1 336.867 3.592 20 0 EHADMM COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000302635442 1036661791 /nfs/dbraw/zinc/66/17/91/1036661791.db2.gz IGOPRQNGCQZFGB-SNVBAGLBSA-N -1 1 335.787 3.554 20 0 EHADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000176725162 1036683030 /nfs/dbraw/zinc/68/30/30/1036683030.db2.gz UZBQYKQOLOGSDW-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC000888135879 1036692070 /nfs/dbraw/zinc/69/20/70/1036692070.db2.gz TUGBKUOPVWHSKN-LBPRGKRZSA-N -1 1 339.439 3.548 20 0 EHADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc(F)c(F)c1F ZINC000177202655 1036788044 /nfs/dbraw/zinc/78/80/44/1036788044.db2.gz SVJJALDHGODTFD-UHFFFAOYSA-N -1 1 349.337 3.799 20 0 EHADMM CC(C)(C)CCOc1cnccc1CNCc1cccc(C(=O)[O-])c1 ZINC000263440133 1036921327 /nfs/dbraw/zinc/92/13/27/1036921327.db2.gz WEHNEXKXKANDFP-UHFFFAOYSA-N -1 1 342.439 3.885 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1Cl ZINC000542094497 1037066044 /nfs/dbraw/zinc/06/60/44/1037066044.db2.gz VMJYWUDPLLYPMZ-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM COc1ccc2c(c1)CCCN(C(=O)c1cc(Cl)ccc1[O-])C2 ZINC000590815733 1037088691 /nfs/dbraw/zinc/08/86/91/1037088691.db2.gz KWLRHNVJZHFRHA-UHFFFAOYSA-N -1 1 331.799 3.643 20 0 EHADMM O=C(CCn1c2ccccc2nc1C1CC1)Nc1ccc(F)cc1[O-] ZINC000539864263 1037301343 /nfs/dbraw/zinc/30/13/43/1037301343.db2.gz OICVBJSJQHGLJS-UHFFFAOYSA-N -1 1 339.370 3.787 20 0 EHADMM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(Br)c1 ZINC000299928262 1037386313 /nfs/dbraw/zinc/38/63/13/1037386313.db2.gz FIIYUVNJMAEBNQ-XHDPSFHLSA-N -1 1 338.245 3.912 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@H]3CCC[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000462836666 1037461469 /nfs/dbraw/zinc/46/14/69/1037461469.db2.gz FTLAITAKBHKEFD-CZUORRHYSA-N -1 1 340.471 3.911 20 0 EHADMM COc1cccc(CO[C@@H](C)c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445464825 1037525318 /nfs/dbraw/zinc/52/53/18/1037525318.db2.gz ORRDJNCWIXOQJQ-NSHDSACASA-N -1 1 344.342 3.868 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)ccc1F ZINC000591795391 1037605751 /nfs/dbraw/zinc/60/57/51/1037605751.db2.gz HPSBBJYSIPSCJV-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCO[C@@H](c2ccccc2)C1 ZINC000591796353 1037606273 /nfs/dbraw/zinc/60/62/73/1037606273.db2.gz YRUYYHFKVIHVRY-QGZVFWFLSA-N -1 1 331.799 3.649 20 0 EHADMM O=C(CCSc1ccc2c(c1)OCCCO2)c1ccc([O-])cc1O ZINC000573816165 1037756492 /nfs/dbraw/zinc/75/64/92/1037756492.db2.gz ZOLUFHWRNBEDOD-UHFFFAOYSA-N -1 1 346.404 3.624 20 0 EHADMM CCc1nc(S[C@@H](C)C(=O)c2cc(F)ccc2F)[n-]c(=O)c1C ZINC000573817631 1037760343 /nfs/dbraw/zinc/76/03/43/1037760343.db2.gz YMIZKXORIHCGCW-VIFPVBQESA-N -1 1 338.379 3.695 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1C ZINC000540292010 1037785548 /nfs/dbraw/zinc/78/55/48/1037785548.db2.gz KSXMYWRSWRGTQK-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1)c1cccc(-c2ccccc2)c1 ZINC000506548297 1037963023 /nfs/dbraw/zinc/96/30/23/1037963023.db2.gz UXXVDAKOUJUCNG-UHFFFAOYSA-N -1 1 325.389 3.860 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc2ncccc21 ZINC000339117810 1038341525 /nfs/dbraw/zinc/34/15/25/1038341525.db2.gz FDZHDMHSMIPPTF-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000461436615 1038436861 /nfs/dbraw/zinc/43/68/61/1038436861.db2.gz PKMHEXIBBVZCGR-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000488255206 1039011217 /nfs/dbraw/zinc/01/12/17/1039011217.db2.gz WHJRHCCXGNMBHD-UHFFFAOYSA-N -1 1 333.453 3.975 20 0 EHADMM CCc1[n-][nH]c(=NC(=O)[C@@H](C)CC2CCCCC2)c1Br ZINC000479998821 1039018335 /nfs/dbraw/zinc/01/83/35/1039018335.db2.gz VZYBORRJKRLWLN-JTQLQIEISA-N -1 1 342.281 3.702 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000108785649 1039140901 /nfs/dbraw/zinc/14/09/01/1039140901.db2.gz WRZOOXITEUMZEI-QWHCGFSZSA-N -1 1 346.312 3.719 20 0 EHADMM CSc1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1C(=O)[O-] ZINC000910947043 1039167789 /nfs/dbraw/zinc/16/77/89/1039167789.db2.gz ZZKPHAPYQIWPQC-UHFFFAOYSA-N -1 1 333.413 3.514 20 0 EHADMM CO[C@H](C)C(=O)Nc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000339201196 1039211990 /nfs/dbraw/zinc/21/19/90/1039211990.db2.gz LITLJSRZEJNUEQ-LLVKDONJSA-N -1 1 334.803 3.631 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000912039144 1039641338 /nfs/dbraw/zinc/64/13/38/1039641338.db2.gz CKYBWSWCNHAXCF-MRXNPFEDSA-N -1 1 328.799 3.808 20 0 EHADMM CC(/C=C/c1cc(=O)n2[n-]cnc2n1)=C/c1cccc(C(F)(F)F)c1 ZINC000486143584 1039918243 /nfs/dbraw/zinc/91/82/43/1039918243.db2.gz HEBNGICFPFLDIF-VLHCFCLRSA-N -1 1 346.312 3.553 20 0 EHADMM CO[C@H](CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000554896195 1039920171 /nfs/dbraw/zinc/92/01/71/1039920171.db2.gz GCJUGNZKNPZGDP-SNVBAGLBSA-N -1 1 330.331 3.681 20 0 EHADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000479128070 1039977197 /nfs/dbraw/zinc/97/71/97/1039977197.db2.gz JDPROCDOYHDBQF-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM CC(C)(C)n1cc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000417582054 1040029941 /nfs/dbraw/zinc/02/99/41/1040029941.db2.gz IVZUDXJGYHBSGS-HNNXBMFYSA-N -1 1 335.835 3.597 20 0 EHADMM CC[C@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000417584690 1040033923 /nfs/dbraw/zinc/03/39/23/1040033923.db2.gz YCOYCZVBGVWCKQ-ZDUSSCGKSA-N -1 1 338.201 3.662 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)c2cccnc12 ZINC000486617658 1040284502 /nfs/dbraw/zinc/28/45/02/1040284502.db2.gz SQUAEKHDDGSVJC-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM O=S(=O)([N-]CC[C@H]1CCC(F)(F)C1)c1sccc1Cl ZINC000908066998 1040286178 /nfs/dbraw/zinc/28/61/78/1040286178.db2.gz DPVPXJODPCGOIU-MRVPVSSYSA-N -1 1 329.821 3.505 20 0 EHADMM C[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CCCO1 ZINC000908155019 1040302479 /nfs/dbraw/zinc/30/24/79/1040302479.db2.gz GLFJLLSJPDMSIE-CPCISQLKSA-N -1 1 348.624 3.562 20 0 EHADMM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(-c2cncc(Cl)n2)c1=O ZINC000899347141 1040352519 /nfs/dbraw/zinc/35/25/19/1040352519.db2.gz JZVVAPPJXGVKCQ-AWEZNQCLSA-N -1 1 349.221 3.807 20 0 EHADMM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(-c2ncc(Cl)cn2)c1=O ZINC000899351441 1040374938 /nfs/dbraw/zinc/37/49/38/1040374938.db2.gz KIQFXGJXMAJVNS-ZDUSSCGKSA-N -1 1 349.221 3.807 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1F ZINC000479557252 1040378650 /nfs/dbraw/zinc/37/86/50/1040378650.db2.gz KOFIPBFCAQCDMG-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM CC[C@H]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000479623085 1040456333 /nfs/dbraw/zinc/45/63/33/1040456333.db2.gz UHDVUGCVCZQGSF-UMSPYCQHSA-N -1 1 326.234 3.853 20 0 EHADMM CCCCCCOCC(=O)Nc1cccc([O-])c1Br ZINC000908713172 1040606644 /nfs/dbraw/zinc/60/66/44/1040606644.db2.gz QMFVVYJPHRILKM-UHFFFAOYSA-N -1 1 330.222 3.690 20 0 EHADMM CCCCCCC(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000029557238 1040711330 /nfs/dbraw/zinc/71/13/30/1040711330.db2.gz XQQQCFZYHLDTNX-UHFFFAOYSA-N -1 1 345.468 3.850 20 0 EHADMM C[C@@H]1C[N@@H+](Cc2cccc(O)c2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000600195982 1040808789 /nfs/dbraw/zinc/80/87/89/1040808789.db2.gz LJTKGHCTARXRLP-TZMCWYRMSA-N -1 1 339.863 3.845 20 0 EHADMM CC1(C)C[C@H](C(=O)Nc2cc([O-])c(F)cc2F)c2ccccc2O1 ZINC000909987762 1041122380 /nfs/dbraw/zinc/12/23/80/1041122380.db2.gz GDPLWYDINIDNDE-NSHDSACASA-N -1 1 333.334 3.954 20 0 EHADMM O=C(/C=C\C1CCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000843819358 1041141234 /nfs/dbraw/zinc/14/12/34/1041141234.db2.gz AQBDRFBJUQECOC-YHYXMXQVSA-N -1 1 327.424 3.560 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000614319053 1041162200 /nfs/dbraw/zinc/16/22/00/1041162200.db2.gz RQVFDNBBXQZZMJ-FVQBIDKESA-N -1 1 337.847 3.591 20 0 EHADMM CC(C)(C)OC(=O)[C@]1(C(=O)Nc2cccc(F)c2[O-])CC=CCC1 ZINC000600445912 1041216401 /nfs/dbraw/zinc/21/64/01/1041216401.db2.gz NOWRQUDEUXKEEC-GOSISDBHSA-N -1 1 335.375 3.538 20 0 EHADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000432050220 1041483222 /nfs/dbraw/zinc/48/32/22/1041483222.db2.gz PMDDMQNGDBHVDZ-UHFFFAOYSA-N -1 1 329.830 3.713 20 0 EHADMM Cc1cnc([C@@H](C)CNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000184775944 1042618352 /nfs/dbraw/zinc/61/83/52/1042618352.db2.gz BOQLMCZCGOABPS-NSHDSACASA-N -1 1 326.421 3.844 20 0 EHADMM CCOc1ccc(NC(=O)c2ccc([O-])cc2F)c2ncccc12 ZINC000185684669 1042637566 /nfs/dbraw/zinc/63/75/66/1042637566.db2.gz AZNOTGRHLSPKNL-UHFFFAOYSA-N -1 1 326.327 3.731 20 0 EHADMM C[C@]1(C(=O)[O-])CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000062877058 1042682513 /nfs/dbraw/zinc/68/25/13/1042682513.db2.gz IKPPXCDQTATNDZ-HNNXBMFYSA-N -1 1 332.227 3.559 20 0 EHADMM O=C(CCC(=O)c1ccc(F)cc1F)Nc1ccc([O-])c(Cl)c1 ZINC000111666406 1042992153 /nfs/dbraw/zinc/99/21/53/1042992153.db2.gz KIGYZESGHOOJET-UHFFFAOYSA-N -1 1 339.725 3.925 20 0 EHADMM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531487013 1043770187 /nfs/dbraw/zinc/77/01/87/1043770187.db2.gz UHIXMPQUZNQPMS-CQSZACIVSA-N -1 1 329.421 3.651 20 0 EHADMM Cc1nc(Cl)ccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000228673835 1044056180 /nfs/dbraw/zinc/05/61/80/1044056180.db2.gz KIZMDHRZNPCRQP-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM COC(=O)c1c[n-]c(SCCOc2ccc3ccccc3c2)n1 ZINC000432655273 1044627721 /nfs/dbraw/zinc/62/77/21/1044627721.db2.gz MVYKMZHQOOQGCN-UHFFFAOYSA-N -1 1 328.393 3.521 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCC(C2CCC2)CC1 ZINC000620472548 1125580116 /nfs/dbraw/zinc/58/01/16/1125580116.db2.gz MXXNPGZTHKYEJD-UHFFFAOYSA-N -1 1 345.487 3.877 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N(CCC1CC1)CC1CC1 ZINC000620628783 1125616200 /nfs/dbraw/zinc/61/62/00/1125616200.db2.gz OETLWEUJVWFODA-UHFFFAOYSA-N -1 1 338.245 3.807 20 0 EHADMM CSc1nc(CNC(=O)C=C[C@]2(C)CC[C@H](C)C2(C)C)cc(=O)[n-]1 ZINC000824952199 1131233900 /nfs/dbraw/zinc/23/39/00/1131233900.db2.gz LTADXQHKCYFWTR-SKGQRGOXSA-N -1 1 349.500 3.539 20 0 EHADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC(OC(C)(C)C)C1 ZINC000622728135 1126753017 /nfs/dbraw/zinc/75/30/17/1126753017.db2.gz RXTAKBIMKQTSDQ-UHFFFAOYSA-N -1 1 345.361 3.829 20 0 EHADMM CCOCc1nc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000351105884 1127141316 /nfs/dbraw/zinc/14/13/16/1127141316.db2.gz OTTIRAGYNWUART-UHFFFAOYSA-N -1 1 335.360 3.550 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CSC)cc1C ZINC000184028402 1127392973 /nfs/dbraw/zinc/39/29/73/1127392973.db2.gz QLPKNRSPWXTEMC-UHFFFAOYSA-N -1 1 337.466 3.667 20 0 EHADMM Cc1ccc(-c2cc(C(=O)OCc3nccn3-c3ccccc3)[nH]n2)o1 ZINC000764378189 1127487683 /nfs/dbraw/zinc/48/76/83/1127487683.db2.gz RTJQTKXQALQMBL-UHFFFAOYSA-N -1 1 348.362 3.521 20 0 EHADMM CC1(C)CN(C(=O)c2ccc(Br)c([O-])c2)[C@H]2CCC[C@@H]21 ZINC000382171508 1127503140 /nfs/dbraw/zinc/50/31/40/1127503140.db2.gz LKFGPPKHBPKLEC-AAEUAGOBSA-N -1 1 338.245 3.805 20 0 EHADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc2ccsc21 ZINC000386519181 1127691170 /nfs/dbraw/zinc/69/11/70/1127691170.db2.gz DKSRBOVIAFKMFM-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM O=S(=O)([N-]CCc1cccs1)c1cc(Cl)sc1Cl ZINC000032552065 1127852832 /nfs/dbraw/zinc/85/28/32/1127852832.db2.gz CJFJFEBPAPKJTK-UHFFFAOYSA-N -1 1 342.294 3.637 20 0 EHADMM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nnc2ccccn21 ZINC000078972240 1128001921 /nfs/dbraw/zinc/00/19/21/1128001921.db2.gz HJRUIZQATATZMF-SECBINFHSA-N -1 1 337.210 3.593 20 0 EHADMM Cc1ccc(F)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1F ZINC000347591371 1128125318 /nfs/dbraw/zinc/12/53/18/1128125318.db2.gz MMVDCDZIDGQXAF-UHFFFAOYSA-N -1 1 329.306 3.621 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C)c(C)c1 ZINC000063446367 1128144618 /nfs/dbraw/zinc/14/46/18/1128144618.db2.gz MZQVNCZRJUWUIT-UHFFFAOYSA-N -1 1 346.452 3.707 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911006 1128160350 /nfs/dbraw/zinc/16/03/50/1128160350.db2.gz 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1120054683 /nfs/dbraw/zinc/05/46/83/1120054683.db2.gz CWARPTFNCXVHMI-LLVKDONJSA-N -1 1 348.443 3.775 20 0 EHADMM CC(C)n1c(CCNC(=O)C[C@H](C)C2CCCCC2)n[n-]c1=S ZINC000067073580 1120249449 /nfs/dbraw/zinc/24/94/49/1120249449.db2.gz CICNNDWNESNGDW-ZDUSSCGKSA-N -1 1 338.521 3.787 20 0 EHADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1conc1C1CC1 ZINC000355220834 1128906712 /nfs/dbraw/zinc/90/67/12/1128906712.db2.gz FKDFLXFCBGWOIW-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)c(C)c1 ZINC000185340468 1120410375 /nfs/dbraw/zinc/41/03/75/1120410375.db2.gz LAZRZGZRBRLFSF-UHFFFAOYSA-N -1 1 337.466 3.835 20 0 EHADMM Cc1ocnc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000191840504 1120698613 /nfs/dbraw/zinc/69/86/13/1120698613.db2.gz BPUXFPKVQCENCI-UHFFFAOYSA-N -1 1 326.337 3.500 20 0 EHADMM CCOc1cc(C(=O)N(C)Cc2ccccc2OC)cc(Cl)c1[O-] ZINC000192989557 1120755289 /nfs/dbraw/zinc/75/52/89/1120755289.db2.gz PIVKOORSHLJUHY-UHFFFAOYSA-N -1 1 349.814 3.725 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)cc(Cl)c1[O-] ZINC000495169178 1120974636 /nfs/dbraw/zinc/97/46/36/1120974636.db2.gz BDFWDVWWUHLBOV-HWPZZCPQSA-N -1 1 347.798 3.696 20 0 EHADMM CC(C)(C)[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000230144143 1120997767 /nfs/dbraw/zinc/99/77/67/1120997767.db2.gz RTZIZKXEJNVARK-JTQLQIEISA-N -1 1 326.234 3.663 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000037377139 1121015866 /nfs/dbraw/zinc/01/58/66/1121015866.db2.gz UDWNSNVOTMOXKS-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000495501341 1121238586 /nfs/dbraw/zinc/23/85/86/1121238586.db2.gz HQLUNDBGOANQDN-UHFFFAOYSA-N -1 1 328.199 3.972 20 0 EHADMM Cc1ccc([C@H](NCc2cccc(OC3CC3)c2F)C(=O)[O-])cc1 ZINC000656564289 1128982859 /nfs/dbraw/zinc/98/28/59/1128982859.db2.gz IJERNKRBHSIMBB-SFHVURJKSA-N -1 1 329.371 3.591 20 0 EHADMM COC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(C(C)=O)c1 ZINC001214489447 1128984102 /nfs/dbraw/zinc/98/41/02/1128984102.db2.gz DYBOFNOBPRWHJB-UHFFFAOYSA-N -1 1 337.734 3.918 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2cc(F)cc3nccnc32)s1 ZINC000193645403 1121534324 /nfs/dbraw/zinc/53/43/24/1121534324.db2.gz HIBJXGSCRZDYMC-UHFFFAOYSA-N -1 1 345.403 3.776 20 0 EHADMM Cc1ncsc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000496810551 1122185337 /nfs/dbraw/zinc/18/53/37/1122185337.db2.gz MPBBKNJYKJPSPJ-UHFFFAOYSA-N -1 1 349.412 3.756 20 0 EHADMM CC(C)C[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000125850181 1122348217 /nfs/dbraw/zinc/34/82/17/1122348217.db2.gz PIEGMMPECQHSJN-LLVKDONJSA-N -1 1 326.234 3.663 20 0 EHADMM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000067551675 1122520224 /nfs/dbraw/zinc/52/02/24/1122520224.db2.gz XMPNDTKGSUDBLM-UHFFFAOYSA-N -1 1 342.352 3.753 20 0 EHADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](c3ccc(F)cc3)C(C)C)n2)o1 ZINC000497741687 1122652374 /nfs/dbraw/zinc/65/23/74/1122652374.db2.gz FJSCAQMNKGUWHJ-OAHLLOKOSA-N -1 1 342.374 3.891 20 0 EHADMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(Cl)cc1[O-] ZINC000917767325 1122678598 /nfs/dbraw/zinc/67/85/98/1122678598.db2.gz VHZSJQCRGQHYKJ-UHFFFAOYSA-N -1 1 341.798 3.504 20 0 EHADMM Cc1cc(-c2noc(-c3ncccc3[O-])n2)ccc1Br ZINC001212480945 1129083772 /nfs/dbraw/zinc/08/37/72/1129083772.db2.gz QVURDFQQWNKSKO-UHFFFAOYSA-N -1 1 332.157 3.575 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2cccc(C(F)(F)F)c2F)no1 ZINC001212480992 1129085912 /nfs/dbraw/zinc/08/59/12/1129085912.db2.gz UFAPCADWVSODDD-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM COc1c(-c2noc(-c3ncccc3[O-])n2)cccc1C(F)(F)F ZINC001212481047 1129086026 /nfs/dbraw/zinc/08/60/26/1129086026.db2.gz XNBXCFFYPJLIMQ-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccsc1 ZINC000130395327 1122948016 /nfs/dbraw/zinc/94/80/16/1122948016.db2.gz YOMRQEYENZQWQL-UHFFFAOYSA-N -1 1 332.244 3.620 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](c2ccccc2)O1 ZINC000130979132 1123028368 /nfs/dbraw/zinc/02/83/68/1123028368.db2.gz ALTMIXUYIHECCC-SJKOYZFVSA-N -1 1 331.799 3.648 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2ccc(Br)c([O-])c2)s1 ZINC000132746435 1123295405 /nfs/dbraw/zinc/29/54/05/1123295405.db2.gz PYFHAENJQQZHNM-UHFFFAOYSA-N -1 1 340.242 3.797 20 0 EHADMM CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1c([O-])cccc1Cl ZINC000920454508 1123370948 /nfs/dbraw/zinc/37/09/48/1123370948.db2.gz MSIWQTYZIIYMDJ-ZDUSSCGKSA-N -1 1 347.846 3.805 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC(COc2ccccc2)CC1 ZINC000920463928 1123372046 /nfs/dbraw/zinc/37/20/46/1123372046.db2.gz VYWAIFSSKJLUQN-UHFFFAOYSA-N -1 1 345.826 3.977 20 0 EHADMM COc1cc(C(=O)N2CCC[C@H]2c2cccc(C)n2)cc(Cl)c1[O-] ZINC000135182545 1123589561 /nfs/dbraw/zinc/58/95/61/1123589561.db2.gz NFFQESKXTXYXFL-HNNXBMFYSA-N -1 1 346.814 3.735 20 0 EHADMM C/C=C/COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000064607977 1123681024 /nfs/dbraw/zinc/68/10/24/1123681024.db2.gz KHFCIPJVGKSVIA-ONEGZZNKSA-N -1 1 345.420 3.529 20 0 EHADMM COC(=O)c1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000616970466 1124060630 /nfs/dbraw/zinc/06/06/30/1124060630.db2.gz KBHDLDQPYCTMCC-UHFFFAOYSA-N -1 1 334.759 3.785 20 0 EHADMM CC(C)Oc1cc(F)ccc1Nc1nc[n-]c(=O)c1Br ZINC001212292702 1124464061 /nfs/dbraw/zinc/46/40/61/1124464061.db2.gz WUYGSNPIABAURD-UHFFFAOYSA-N -1 1 342.168 3.615 20 0 EHADMM CC(C)N(Cc1cccs1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735296806 1131328833 /nfs/dbraw/zinc/32/88/33/1131328833.db2.gz AZTQYUCGMPWWBL-UHFFFAOYSA-N -1 1 345.497 3.932 20 0 EHADMM C[C@H](CN(C)Cn1[n-]c(-c2ccccn2)nc1=S)c1ccccc1 ZINC000735298791 1131329237 /nfs/dbraw/zinc/32/92/37/1131329237.db2.gz UAAZUYJOEVMMLE-CQSZACIVSA-N -1 1 339.468 3.696 20 0 EHADMM CCC1(CC)CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000618667112 1125149296 /nfs/dbraw/zinc/14/92/96/1125149296.db2.gz DKBOMUACFUTKAK-UHFFFAOYSA-N -1 1 333.476 3.831 20 0 EHADMM O=c1cc(CN(CC2CCC2)CC(F)(F)F)c2ccc([O-])cc2o1 ZINC000182409930 1125282129 /nfs/dbraw/zinc/28/21/29/1125282129.db2.gz ZKHWHMOWCUSNBG-UHFFFAOYSA-N -1 1 341.329 3.663 20 0 EHADMM C[C@H](C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000182592663 1125339029 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CSc1ccncc1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000675562149 1130424502 /nfs/dbraw/zinc/42/45/02/1130424502.db2.gz GPBIIGLCRSKAQF-UHFFFAOYSA-N -1 1 329.356 3.850 20 0 EHADMM COc1cc(-c2ccccc2)sc1C(=O)[N-]c1nc(C2CC2)no1 ZINC001129084036 1130494068 /nfs/dbraw/zinc/49/40/68/1130494068.db2.gz NZYXNJGBJXCNPH-UHFFFAOYSA-N -1 1 341.392 3.936 20 0 EHADMM O=C(NCc1c(F)cccc1N1CCCC1)c1c([O-])cccc1Cl ZINC000804128379 1130559840 /nfs/dbraw/zinc/55/98/40/1130559840.db2.gz JMRHHKQMECAYNL-UHFFFAOYSA-N -1 1 348.805 3.715 20 0 EHADMM CN(c1ccc(NC(=O)c2cncc([O-])c2)cc1F)C1CCCCC1 ZINC000732274496 1130905002 /nfs/dbraw/zinc/90/50/02/1130905002.db2.gz ULTRRZFCZRIFOG-UHFFFAOYSA-N -1 1 343.402 3.948 20 0 EHADMM CC[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)CC)c1ccccc1 ZINC000733470381 1131046904 /nfs/dbraw/zinc/04/69/04/1131046904.db2.gz JHBRVFFUOAXAQK-KRWDZBQOSA-N -1 1 347.436 3.756 20 0 EHADMM CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)c2c[n-]cn2)cc1 ZINC000736625444 1131428803 /nfs/dbraw/zinc/42/88/03/1131428803.db2.gz KXXFPSJIUWPKMI-UHFFFAOYSA-N -1 1 342.420 3.503 20 0 EHADMM Cc1ccc(Br)c(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721167 1132054085 /nfs/dbraw/zinc/05/40/85/1132054085.db2.gz BDZZKQCEVOGSDI-UHFFFAOYSA-N -1 1 332.157 3.575 20 0 EHADMM Cc1c(Br)cccc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721344 1132055745 /nfs/dbraw/zinc/05/57/45/1132055745.db2.gz LLCUFJNOTLNKTB-UHFFFAOYSA-N -1 1 332.157 3.575 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(Cl)ccc2F)c1 ZINC000744529151 1132117190 /nfs/dbraw/zinc/11/71/90/1132117190.db2.gz YVQAPHLFNARUOK-UHFFFAOYSA-N -1 1 336.746 3.787 20 0 EHADMM CC(C)=C[C@H]1[C@H](C(=O)OCCc2cc(C(C)=O)ccc2[O-])C1(C)C ZINC000744529516 1132117208 /nfs/dbraw/zinc/11/72/08/1132117208.db2.gz CSJMSEAKMUEJLV-FUHWJXTLSA-N -1 1 330.424 3.919 20 0 EHADMM CCSc1cc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])ccn1 ZINC000744846686 1132160103 /nfs/dbraw/zinc/16/01/03/1132160103.db2.gz VZJVXRXISNWDLX-UHFFFAOYSA-N -1 1 345.420 3.501 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c[nH]c3cc(F)ccc32)c1 ZINC000744847252 1132161109 /nfs/dbraw/zinc/16/11/09/1132161109.db2.gz AOUWOIIAIXYBOH-UHFFFAOYSA-N -1 1 341.338 3.615 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2csc(CC(C)C)n2)c1 ZINC000744885587 1132164230 /nfs/dbraw/zinc/16/42/30/1132164230.db2.gz DBJWWHKKRQRWRQ-UHFFFAOYSA-N -1 1 347.436 3.649 20 0 EHADMM CCOC(=O)c1c([N-]c2cncc(F)c2)onc1-c1ccccc1 ZINC001174291271 1132299536 /nfs/dbraw/zinc/29/95/36/1132299536.db2.gz WMQCXDXAMDMCKH-UHFFFAOYSA-N -1 1 327.315 3.796 20 0 EHADMM CC(C)OC(=O)c1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001174916876 1132504950 /nfs/dbraw/zinc/50/49/50/1132504950.db2.gz JGXVLCXEUMNBGN-UHFFFAOYSA-N -1 1 337.379 3.887 20 0 EHADMM O=C(OCc1cccc(Br)c1)c1ccc([O-])cc1F ZINC000773571194 1132921590 /nfs/dbraw/zinc/92/15/90/1132921590.db2.gz QOWHLPVPORNADE-UHFFFAOYSA-N -1 1 325.133 3.651 20 0 EHADMM Cc1oc(-c2cccs2)nc1COC(=O)c1ccc([O-])cc1F ZINC000773583943 1132974719 /nfs/dbraw/zinc/97/47/19/1132974719.db2.gz RGFGMMAWZOSFOI-UHFFFAOYSA-N -1 1 333.340 3.913 20 0 EHADMM COc1cccc(Cn2nccc2Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176664742 1132978999 /nfs/dbraw/zinc/97/89/99/1132978999.db2.gz ZRRFDJPTMXUAGR-UHFFFAOYSA-N -1 1 349.312 3.807 20 0 EHADMM COC(Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1)OC ZINC001176671832 1132979433 /nfs/dbraw/zinc/97/94/33/1132979433.db2.gz FKGLCIJSIMYRMZ-UHFFFAOYSA-N -1 1 327.302 3.715 20 0 EHADMM COCCOc1cccc(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176673520 1132979903 /nfs/dbraw/zinc/97/99/03/1132979903.db2.gz JBCXHEJKEXPUKM-UHFFFAOYSA-N -1 1 331.265 3.717 20 0 EHADMM O=C1c2c(cccc2Nc2c(F)cc(F)c([O-])c2F)CN1C1CC1 ZINC001176673849 1132980926 /nfs/dbraw/zinc/98/09/26/1132980926.db2.gz OPDSCTSTVWCYGA-UHFFFAOYSA-N -1 1 334.297 3.671 20 0 EHADMM O=C(NCCC1CCC1)c1c([O-])cnc2c(Br)cccc21 ZINC001176890156 1133007260 /nfs/dbraw/zinc/00/72/60/1133007260.db2.gz FOLJQWJNPCRFRB-UHFFFAOYSA-N -1 1 349.228 3.623 20 0 EHADMM CN(C)c1ccc(F)cc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001177122979 1133030142 /nfs/dbraw/zinc/03/01/42/1133030142.db2.gz FXAKTUUHQJCQMZ-UHFFFAOYSA-N -1 1 340.354 3.708 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(F)c2)cn1 ZINC000767941481 1133073617 /nfs/dbraw/zinc/07/36/17/1133073617.db2.gz RVKMROCVEFZGAT-UHFFFAOYSA-N -1 1 347.346 3.526 20 0 EHADMM O=C(C/C=C/Cc1ccccc1)NCCc1c(F)cc([O-])cc1F ZINC001178785227 1133199112 /nfs/dbraw/zinc/19/91/12/1133199112.db2.gz QMMNLJPMDXSPOU-SNAWJCMRSA-N -1 1 331.362 3.518 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)n1 ZINC000768862568 1133199318 /nfs/dbraw/zinc/19/93/18/1133199318.db2.gz MKGCTNABZHVUAN-MDZDMXLPSA-N -1 1 338.816 3.546 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccnc(-n2cccc2)c1 ZINC001179659560 1133267277 /nfs/dbraw/zinc/26/72/77/1133267277.db2.gz BYNREXUWANAJSA-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM COc1cccc(C[C@@H]2CCCN2C(=O)c2c([O-])cccc2Cl)c1 ZINC000769713900 1133333500 /nfs/dbraw/zinc/33/35/00/1133333500.db2.gz CLMFRHWHWWMYFS-AWEZNQCLSA-N -1 1 345.826 3.902 20 0 EHADMM COc1ccccc1CC(C)(C)NC(=O)c1c([O-])cccc1Cl ZINC000769768193 1133339575 /nfs/dbraw/zinc/33/95/75/1133339575.db2.gz GTFRAIHEMJAXPL-UHFFFAOYSA-N -1 1 333.815 3.805 20 0 EHADMM CN(C(=O)c1c([O-])cccc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC000769859080 1133351789 /nfs/dbraw/zinc/35/17/89/1133351789.db2.gz MLKSFQFLSFXMPR-HNNXBMFYSA-N -1 1 344.842 3.787 20 0 EHADMM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1c([O-])cccc1Cl ZINC000770010923 1133370517 /nfs/dbraw/zinc/37/05/17/1133370517.db2.gz LOXBKOXUVCFJDZ-JTQLQIEISA-N -1 1 335.762 3.576 20 0 EHADMM O=C(O[C@H]1Cc2ccccc2C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000770020637 1133378252 /nfs/dbraw/zinc/37/82/52/1133378252.db2.gz VAUFIZIRRLILFW-LBPRGKRZSA-N -1 1 337.158 3.663 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1nc2cc(C)c(F)cc2s1 ZINC001180543524 1133389513 /nfs/dbraw/zinc/38/95/13/1133389513.db2.gz LOPVVVYSLTZZMY-UHFFFAOYSA-N -1 1 332.356 3.710 20 0 EHADMM COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])c(OC)c1 ZINC001180947042 1133434474 /nfs/dbraw/zinc/43/44/74/1133434474.db2.gz XMDGREXDGDHXAX-SNVBAGLBSA-N -1 1 335.787 3.554 20 0 EHADMM CC[C@@H](C)[C@H](CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1)OC ZINC001181764983 1133523441 /nfs/dbraw/zinc/52/34/41/1133523441.db2.gz SDBNGHIZMJJPQM-DOMZBBRYSA-N -1 1 346.393 3.647 20 0 EHADMM Cn1c(Cl)c(Cl)cc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000771222038 1133529061 /nfs/dbraw/zinc/52/90/61/1133529061.db2.gz NSEOOJJRIMNOTN-UHFFFAOYSA-N -1 1 328.130 3.894 20 0 EHADMM Cn1cc(-c2cccc(-c3nc(-c4ccc([O-])c(F)c4)no3)c2)cn1 ZINC000771223946 1133530379 /nfs/dbraw/zinc/53/03/79/1133530379.db2.gz MZNVLXKXTJDKNG-UHFFFAOYSA-N -1 1 336.326 3.649 20 0 EHADMM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000772473613 1133690035 /nfs/dbraw/zinc/69/00/35/1133690035.db2.gz ZCTPZBPCBUZXGR-IFXJQAMLSA-N -1 1 335.403 3.787 20 0 EHADMM Cc1cc(N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1O ZINC001151242676 1133692749 /nfs/dbraw/zinc/69/27/49/1133692749.db2.gz RROQAUWCKHIVBT-UHFFFAOYSA-N -1 1 325.286 3.702 20 0 EHADMM [O-]c1cc(Br)cnc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001182771559 1133731751 /nfs/dbraw/zinc/73/17/51/1133731751.db2.gz ABHFZKMMLPPAEV-ZDUSSCGKSA-N -1 1 339.277 3.952 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccc(C(F)(F)F)nc1Cl ZINC000772706152 1134037369 /nfs/dbraw/zinc/03/73/69/1134037369.db2.gz JBCITFRHAGNGCY-UHFFFAOYSA-N -1 1 334.656 3.851 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)ccc1Cl ZINC001185485194 1134096786 /nfs/dbraw/zinc/09/67/86/1134096786.db2.gz PDZIAOYHMWMPNU-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)ccc1Cl ZINC001185525161 1134103297 /nfs/dbraw/zinc/10/32/97/1134103297.db2.gz UBOGZONPMRKYCP-UHFFFAOYSA-N -1 1 349.839 3.968 20 0 EHADMM Cc1nn(C)c(Cl)c1CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000788231324 1134103456 /nfs/dbraw/zinc/10/34/56/1134103456.db2.gz DQTZHNZRMOCKLK-UHFFFAOYSA-N -1 1 343.814 3.513 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Nc1ccc2c(c1)CCC2 ZINC001185767434 1134131119 /nfs/dbraw/zinc/13/11/19/1134131119.db2.gz YILGYFXKSBEESE-UHFFFAOYSA-N -1 1 334.379 3.711 20 0 EHADMM O=C(Nc1cccc(F)c1N1CCCCC1)c1ccc([O-])cc1F ZINC001186329144 1134195250 /nfs/dbraw/zinc/19/52/50/1134195250.db2.gz MLPFSCZLPUAHIE-UHFFFAOYSA-N -1 1 332.350 3.913 20 0 EHADMM O=S(=O)([N-]c1ncc(F)cc1Cl)c1csc2ccccc21 ZINC001186455446 1134215134 /nfs/dbraw/zinc/21/51/34/1134215134.db2.gz WBWQWACDAWYRNI-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM O=C(CCc1cnc2[nH]ccc2c1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001187558094 1134345245 /nfs/dbraw/zinc/34/52/45/1134345245.db2.gz XQWBZXYCCVYBRF-UHFFFAOYSA-N -1 1 349.312 3.859 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cnc(-c2ccccc2F)s1 ZINC000789930180 1134346120 /nfs/dbraw/zinc/34/61/20/1134346120.db2.gz FNMXGYMRTKDTKV-UHFFFAOYSA-N -1 1 349.774 3.956 20 0 EHADMM Cc1nc(CC(C)C)sc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047287 1134364996 /nfs/dbraw/zinc/36/49/96/1134364996.db2.gz JFEZKHDSTPCZAK-UHFFFAOYSA-N -1 1 325.821 3.656 20 0 EHADMM Cc1nc(CC(C)C)c(C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000790052550 1134365262 /nfs/dbraw/zinc/36/52/62/1134365262.db2.gz YLHUDXFWWUMMII-UHFFFAOYSA-N -1 1 325.821 3.656 20 0 EHADMM Cc1c(Br)scc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047935 1134365527 /nfs/dbraw/zinc/36/55/27/1134365527.db2.gz MSUPROWXGPDMIJ-UHFFFAOYSA-N -1 1 347.621 3.825 20 0 EHADMM O=C(Nc1ccccc1Cc1ccccc1)c1n[n-]nc1C(F)(F)F ZINC001187766277 1134381980 /nfs/dbraw/zinc/38/19/80/1134381980.db2.gz NOILKUQWSDLXBB-UHFFFAOYSA-N -1 1 346.312 3.667 20 0 EHADMM COc1ccc(NC(=O)Nc2cc(F)cc(F)c2[O-])cc1Cl ZINC001188476869 1134471315 /nfs/dbraw/zinc/47/13/15/1134471315.db2.gz JDTFXARTZOJMCT-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM O=C(Nc1scnc1C1CC1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572613 1134477808 /nfs/dbraw/zinc/47/78/08/1134477808.db2.gz RPZUZMVZJGHWCN-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM COc1ccc(NC(=O)Nc2cc([O-])c(Cl)cc2F)c(OC)c1 ZINC001188541751 1134479510 /nfs/dbraw/zinc/47/95/10/1134479510.db2.gz MZEREKMGHNYEDU-UHFFFAOYSA-N -1 1 340.738 3.846 20 0 EHADMM O=C(Nc1cccc2ocnc21)c1cc(Br)ccc1[O-] ZINC000791005286 1134492434 /nfs/dbraw/zinc/49/24/34/1134492434.db2.gz QYZRLMFDKYYSST-UHFFFAOYSA-N -1 1 333.141 3.548 20 0 EHADMM O=C([N-]c1nsc2ncccc12)c1cc(-c2cccs2)on1 ZINC001189183238 1134549412 /nfs/dbraw/zinc/54/94/12/1134549412.db2.gz IWFBBGPLMZEFJQ-UHFFFAOYSA-N -1 1 328.378 3.660 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OC(C)(C)C)c2)c1 ZINC001189241156 1134556245 /nfs/dbraw/zinc/55/62/45/1134556245.db2.gz KQELYPVZYBADTA-UHFFFAOYSA-N -1 1 347.436 3.867 20 0 EHADMM Cc1c(O)cccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189385700 1134577800 /nfs/dbraw/zinc/57/78/00/1134577800.db2.gz OCSJJOLHGMLZFC-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM CSc1nc(NC(=O)c2cccc(-c3ccsc3)c2)cc(=O)[n-]1 ZINC001189362504 1134581499 /nfs/dbraw/zinc/58/14/99/1134581499.db2.gz QSBSTBCYRJIYLO-UHFFFAOYSA-N -1 1 343.433 3.885 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(-c2ccsc2)c1 ZINC001189361340 1134581606 /nfs/dbraw/zinc/58/16/06/1134581606.db2.gz GJBXOFNBQDUSOI-UHFFFAOYSA-N -1 1 338.314 3.804 20 0 EHADMM CC(C)c1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccc2n1 ZINC000076946855 1134610489 /nfs/dbraw/zinc/61/04/89/1134610489.db2.gz PEWUJBZZRVKEEX-UHFFFAOYSA-N -1 1 349.316 3.747 20 0 EHADMM C[C@@H](CC[N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC001189721003 1134614417 /nfs/dbraw/zinc/61/44/17/1134614417.db2.gz ZMOGWQZVEHSARV-NSHDSACASA-N -1 1 329.874 3.874 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2ccc(F)c3ccccc23)c(OC)c1 ZINC001190144845 1134659891 /nfs/dbraw/zinc/65/98/91/1134659891.db2.gz FYJYCXBMAZBWMC-UHFFFAOYSA-N -1 1 341.338 3.954 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c2ccccc2n1 ZINC001190460866 1134704506 /nfs/dbraw/zinc/70/45/06/1134704506.db2.gz NQQXDAZOGMWQFS-UHFFFAOYSA-N -1 1 338.432 3.643 20 0 EHADMM CCC[C@H](NC(=O)c1c([O-])cccc1Cl)[C@H](O)c1ccccc1 ZINC000792560884 1134711099 /nfs/dbraw/zinc/71/10/99/1134711099.db2.gz NMBIZZCSHNTODM-WMLDXEAASA-N -1 1 333.815 3.678 20 0 EHADMM Cc1ccc(SC(F)(F)F)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190893119 1134764088 /nfs/dbraw/zinc/76/40/88/1134764088.db2.gz DADOYMONTSCNNZ-UHFFFAOYSA-N -1 1 348.371 3.803 20 0 EHADMM O=S(=O)([N-]c1cccc(-c2cccc(F)c2)c1)c1ccncc1 ZINC001190893187 1134764170 /nfs/dbraw/zinc/76/41/70/1134764170.db2.gz GJIAOUNZPSGWIG-UHFFFAOYSA-N -1 1 328.368 3.689 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2ccccc2)c(F)c1)c1ccncc1 ZINC001190903362 1134768272 /nfs/dbraw/zinc/76/82/72/1134768272.db2.gz DNRYSWRHNNSNPJ-UHFFFAOYSA-N -1 1 328.368 3.689 20 0 EHADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)cc1 ZINC001191452061 1134860685 /nfs/dbraw/zinc/86/06/85/1134860685.db2.gz UKZREVVRHNFMDT-UHFFFAOYSA-N -1 1 347.436 3.589 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC001191820878 1134929405 /nfs/dbraw/zinc/92/94/05/1134929405.db2.gz IZNXIQKMQZDYMD-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM COc1cc(F)cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191903136 1134941937 /nfs/dbraw/zinc/94/19/37/1134941937.db2.gz BVWNXQXJNUPOOT-UHFFFAOYSA-N -1 1 347.770 3.569 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)c([O-])c1 ZINC001192315119 1134998083 /nfs/dbraw/zinc/99/80/83/1134998083.db2.gz XUBGIVGGEZLZEW-UHFFFAOYSA-N -1 1 327.340 3.585 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2c3ccccc3oc2C1 ZINC001192536119 1135033056 /nfs/dbraw/zinc/03/30/56/1135033056.db2.gz QOIVARCVUGUDEG-UHFFFAOYSA-N -1 1 329.302 3.615 20 0 EHADMM O=C(Nc1ccc(Cl)c2nsnc21)c1cc([O-])cc(F)c1F ZINC001192670607 1135043828 /nfs/dbraw/zinc/04/38/28/1135043828.db2.gz KYUKFOUZZZFEPH-UHFFFAOYSA-N -1 1 341.726 3.581 20 0 EHADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000804477420 1135080177 /nfs/dbraw/zinc/08/01/77/1135080177.db2.gz CHDJRIOZALGAPI-JLTOFOAXSA-N -1 1 335.403 3.706 20 0 EHADMM CC(=Cc1ccccc1Cl)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129639806 1135125880 /nfs/dbraw/zinc/12/58/80/1135125880.db2.gz SRFNDFAFPFNESY-KHPPLWFESA-N -1 1 343.814 3.756 20 0 EHADMM CC(=O)c1sc(C(C)(C)C)cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193471650 1135140838 /nfs/dbraw/zinc/14/08/38/1135140838.db2.gz XCOFUUFHRKENRK-UHFFFAOYSA-N -1 1 329.487 3.790 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C(C)C)ccc2Cl)n1 ZINC001193845834 1135194389 /nfs/dbraw/zinc/19/43/89/1135194389.db2.gz VJGOLQIQFQKGKF-UHFFFAOYSA-N -1 1 335.791 3.616 20 0 EHADMM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001195165542 1135385613 /nfs/dbraw/zinc/38/56/13/1135385613.db2.gz NHNKOPUOYDEYOC-SECBINFHSA-N -1 1 347.889 3.647 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 ZINC001195326996 1135406081 /nfs/dbraw/zinc/40/60/81/1135406081.db2.gz WKWRYQRXPJOTHE-UHFFFAOYSA-N -1 1 328.702 3.603 20 0 EHADMM CCCC[C@H](CC)COCCCNC(=O)c1cc([O-])cnc1Cl ZINC001195311810 1135411720 /nfs/dbraw/zinc/41/17/20/1135411720.db2.gz AWRQURFUPFLEQW-ZDUSSCGKSA-N -1 1 342.867 3.794 20 0 EHADMM O=S(=O)([N-]CCC1CCC(F)(F)CC1)c1sccc1Cl ZINC001195877641 1135484993 /nfs/dbraw/zinc/48/49/93/1135484993.db2.gz OUINQKVEHHNBLC-UHFFFAOYSA-N -1 1 343.848 3.895 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cc2ccccc2s1 ZINC000747365801 1135507933 /nfs/dbraw/zinc/50/79/33/1135507933.db2.gz BDHGYERVVBLXAP-UHFFFAOYSA-N -1 1 341.436 3.759 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cn2)c(Cl)c1 ZINC001196245212 1135539840 /nfs/dbraw/zinc/53/98/40/1135539840.db2.gz LPVYILXPXCGSKJ-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(Cl)cc1F ZINC001196244662 1135540064 /nfs/dbraw/zinc/54/00/64/1135540064.db2.gz BFQVXAIEUDHWSK-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM O=S(=O)([N-]c1cccnc1F)c1ccc2cc(Cl)ccc2c1 ZINC001196414262 1135560841 /nfs/dbraw/zinc/56/08/41/1135560841.db2.gz KIWXOEDSJGRNSF-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM CNc1ccc(Cl)c(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1 ZINC000808611303 1135699160 /nfs/dbraw/zinc/69/91/60/1135699160.db2.gz MUHLPEABDZHDKV-UHFFFAOYSA-N -1 1 347.798 3.689 20 0 EHADMM [O-]c1cnc(Cl)cc1NC(=S)NCc1ccc(Cl)cc1 ZINC001197556795 1135705793 /nfs/dbraw/zinc/70/57/93/1135705793.db2.gz MSNOFZOKKVMEBH-UHFFFAOYSA-N -1 1 328.224 3.581 20 0 EHADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(CC(C)(C)C)no1 ZINC001197586083 1135711004 /nfs/dbraw/zinc/71/10/04/1135711004.db2.gz 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CCCCCCO[C@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476875 1137188339 /nfs/dbraw/zinc/18/83/39/1137188339.db2.gz AXVUARRGROSFJP-CQSZACIVSA-N -1 1 331.416 3.502 20 0 EHADMM Cc1ccc(N2CCN(Cc3c(F)cc([O-])cc3F)CC2)cc1C ZINC001144542158 1137307110 /nfs/dbraw/zinc/30/71/10/1137307110.db2.gz QHBNORATRNUQIW-UHFFFAOYSA-N -1 1 332.394 3.609 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@H](O)c1cccc(Cl)c1 ZINC001144834112 1137352892 /nfs/dbraw/zinc/35/28/92/1137352892.db2.gz WPOBDGGQUWCPBD-GFCCVEGCSA-N -1 1 345.704 3.737 20 0 EHADMM O=C([N-]c1cc(-c2ccc(Cl)s2)on1)c1cc(F)ncc1F ZINC001146965949 1137398305 /nfs/dbraw/zinc/39/83/05/1137398305.db2.gz VTQUZSQZKOVLNK-UHFFFAOYSA-N -1 1 341.726 3.982 20 0 EHADMM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC001147111866 1137400643 /nfs/dbraw/zinc/40/06/43/1137400643.db2.gz JKRQRABOXYZVAE-WFASDCNBSA-N -1 1 346.224 3.516 20 0 EHADMM CCCN(C(=O)c1ncc(C)cc1[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001147204355 1137402225 /nfs/dbraw/zinc/40/22/25/1137402225.db2.gz MROHCRZRAASYNF-SJORKVTESA-N -1 1 346.471 3.686 20 0 EHADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001147218682 1137402799 /nfs/dbraw/zinc/40/27/99/1137402799.db2.gz PSEBQOKWAWMXCQ-QFYYESIMSA-N -1 1 337.778 3.691 20 0 EHADMM CCN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000868473385 1137410906 /nfs/dbraw/zinc/41/09/06/1137410906.db2.gz UWZUQZHDGKOECD-YJYMSZOUSA-N -1 1 347.842 3.559 20 0 EHADMM CCSCC[C@@H](C)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001147860599 1137414216 /nfs/dbraw/zinc/41/42/16/1137414216.db2.gz JBRITLGNYQXPBE-LLVKDONJSA-N -1 1 336.432 3.683 20 0 EHADMM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC001148301223 1137421534 /nfs/dbraw/zinc/42/15/34/1137421534.db2.gz SUMPUGAJEFZFHV-KXBFYZLASA-N -1 1 327.424 3.726 20 0 EHADMM CC(=O)c1cccc(NC(=O)c2ccc(-n3[n-]c(C)cc3=O)cc2)c1C ZINC001148337965 1137422785 /nfs/dbraw/zinc/42/27/85/1137422785.db2.gz SGTVUWIKXUCFPQ-UHFFFAOYSA-N -1 1 349.390 3.563 20 0 EHADMM CC(C)Oc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001148396901 1137423236 /nfs/dbraw/zinc/42/32/36/1137423236.db2.gz HVNUPQHFOLHRKM-UHFFFAOYSA-N -1 1 337.379 3.617 20 0 EHADMM O=C(NCc1cccc2ncccc12)c1ccc(C(F)(F)F)cc1[O-] ZINC001148798807 1137435101 /nfs/dbraw/zinc/43/51/01/1137435101.db2.gz DSFJYIJTNWTHCP-UHFFFAOYSA-N -1 1 346.308 3.889 20 0 EHADMM CC(C)Cn1cnc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001148794927 1137435181 /nfs/dbraw/zinc/43/51/81/1137435181.db2.gz PTZFCCOFFLMGSP-UHFFFAOYSA-N -1 1 327.306 3.516 20 0 EHADMM CCN(C(=O)c1cccc(-c2ccccc2)c1[O-])C1CCOCC1 ZINC001148866489 1137436588 /nfs/dbraw/zinc/43/65/88/1137436588.db2.gz JQFUTLBDSZYOMA-UHFFFAOYSA-N -1 1 325.408 3.700 20 0 EHADMM O=C(NCc1cncn1C1CCC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872446 1137437101 /nfs/dbraw/zinc/43/71/01/1137437101.db2.gz IQQJSQRLMWETJK-UHFFFAOYSA-N -1 1 347.418 3.911 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1cccc(OCc2cccnc2)c1 ZINC001171632665 1137499680 /nfs/dbraw/zinc/49/96/80/1137499680.db2.gz JYZHYLFBWJTAID-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)c1c(F)ccc([O-])c1F ZINC001171649390 1137501964 /nfs/dbraw/zinc/50/19/64/1137501964.db2.gz IEUCEUOOFHVPFL-ZDUSSCGKSA-N -1 1 347.239 3.518 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1csc(NC2CCCCC2)n1 ZINC001171638275 1137504600 /nfs/dbraw/zinc/50/46/00/1137504600.db2.gz UUXZHLABPDTPRK-UHFFFAOYSA-N -1 1 335.404 3.985 20 0 EHADMM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC001171855525 1137516114 /nfs/dbraw/zinc/51/61/14/1137516114.db2.gz SCBKJIGCHLRCNF-JOYOIKCWSA-N -1 1 333.737 3.920 20 0 EHADMM CC1(C)CCc2onc(CSc3nc(C(F)F)cc(=O)[n-]3)c2C1 ZINC000871671260 1137552507 /nfs/dbraw/zinc/55/25/07/1137552507.db2.gz JPGSZZKMTSQWRS-UHFFFAOYSA-N -1 1 341.383 3.915 20 0 EHADMM Cc1nc(C2CCN(Cc3cccc(F)c3)CC2)sc1C(=O)[O-] ZINC000872165662 1137574804 /nfs/dbraw/zinc/57/48/04/1137574804.db2.gz ZBEDLBBPMGFIOR-UHFFFAOYSA-N -1 1 334.416 3.668 20 0 EHADMM CC(C)(C)c1ccncc1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000873041335 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CC(C)(CNC(=O)c1ccc(Br)c([O-])c1)CC(F)F ZINC000881536641 1137809394 /nfs/dbraw/zinc/80/93/94/1137809394.db2.gz JGSZCHCBTDJYED-UHFFFAOYSA-N -1 1 336.176 3.566 20 0 EHADMM O=S(=O)(C=Cc1ccccc1F)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000800042074 1137895484 /nfs/dbraw/zinc/89/54/84/1137895484.db2.gz LJVIOLAXKOQZJE-KTKRTIGZSA-N -1 1 335.404 3.619 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc(-c2ccccn2)n1 ZINC000135906047 1138001336 /nfs/dbraw/zinc/00/13/36/1138001336.db2.gz YANNSTKNGFHPKB-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674552 1138017833 /nfs/dbraw/zinc/01/78/33/1138017833.db2.gz QDEZVUYDKTZQOI-UHFFFAOYSA-N -1 1 347.724 3.574 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1([C@H]2CCCCO2)CCC1 ZINC000885679818 1138018386 /nfs/dbraw/zinc/01/83/86/1138018386.db2.gz HONZSIRXKJPTBR-CQSZACIVSA-N -1 1 327.783 3.863 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000081109355 1138166461 /nfs/dbraw/zinc/16/64/61/1138166461.db2.gz MSRAGOSZEBPMIJ-UHFFFAOYSA-N -1 1 345.468 3.608 20 0 EHADMM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1OC ZINC000093910920 1138242738 /nfs/dbraw/zinc/24/27/38/1138242738.db2.gz MGXWYQJRUWMWGK-OAHLLOKOSA-N -1 1 345.370 3.526 20 0 EHADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000094163052 1138243887 /nfs/dbraw/zinc/24/38/87/1138243887.db2.gz UDVAXXOGSOSCSN-AWEZNQCLSA-N -1 1 349.228 3.773 20 0 EHADMM Cc1ccccc1[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000263726182 1138350693 /nfs/dbraw/zinc/35/06/93/1138350693.db2.gz PDCZHRMBRROZFU-ZDUSSCGKSA-N -1 1 325.437 3.695 20 0 EHADMM Cc1cc(NC(=O)c2ccccc2[O-])ccc1OC1CCOCC1 ZINC000152312159 1139084167 /nfs/dbraw/zinc/08/41/67/1139084167.db2.gz PZNHWAWMKVZEBA-UHFFFAOYSA-N -1 1 327.380 3.511 20 0 EHADMM COc1cnc([C@@H]2CCCN2C(=O)C(CC(C)C)CC(C)C)[n-]c1=O ZINC000889787970 1139268294 /nfs/dbraw/zinc/26/82/94/1139268294.db2.gz UBIGZVDNOARNQE-HNNXBMFYSA-N -1 1 349.475 3.563 20 0 EHADMM CC[C@@H]1C[C@H](C(=O)Nc2cc(C)cc(Br)c2[O-])CCO1 ZINC000180186407 1139816598 /nfs/dbraw/zinc/81/65/98/1139816598.db2.gz LHMZRLHJMNSUHN-GHMZBOCLSA-N -1 1 342.233 3.607 20 0 EHADMM CCOc1cc(C(=O)NCCC[C@H]2CCCCO2)cc(Cl)c1[O-] ZINC000183565130 1140046920 /nfs/dbraw/zinc/04/69/20/1140046920.db2.gz DQMAGHHKQKCLAJ-CYBMUJFWSA-N -1 1 341.835 3.523 20 0 EHADMM Cc1c(=O)[n-]c(SCc2noc(C(C)C)n2)nc1-c1ccccc1 ZINC000185054658 1140133635 /nfs/dbraw/zinc/13/36/35/1140133635.db2.gz JZKGCVGWUGOMRP-UHFFFAOYSA-N -1 1 342.424 3.544 20 0 EHADMM CCOc1cc(C(=O)Nc2c(C)nn(CC)c2C)cc(Cl)c1[O-] ZINC000186836523 1140224289 /nfs/dbraw/zinc/22/42/89/1140224289.db2.gz DNHNCSPLSSDBIX-UHFFFAOYSA-N -1 1 337.807 3.530 20 0 EHADMM O=c1nc(CN2CC[C@H](c3ccc(F)cc3)C2)[n-]c2ccsc21 ZINC000268027479 1140870207 /nfs/dbraw/zinc/87/02/07/1140870207.db2.gz LBINJLSMPZUMBC-LBPRGKRZSA-N -1 1 329.400 3.526 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(c2ccc(F)cc2)CC1 ZINC000339133832 1141506316 /nfs/dbraw/zinc/50/63/16/1141506316.db2.gz MNSWUPBQRXFWJT-UHFFFAOYSA-N -1 1 337.354 3.592 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(F)cc1Br ZINC000037408633 202340983 /nfs/dbraw/zinc/34/09/83/202340983.db2.gz CZWJECMRLZZJGM-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM O=C([O-])[C@H](c1ccc(Br)cc1F)N1CCCCCC1 ZINC000038086541 202391304 /nfs/dbraw/zinc/39/13/04/202391304.db2.gz JVDYLTHOIICYIV-ZDUSSCGKSA-N -1 1 330.197 3.590 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)[nH]n1 ZINC000097146191 203928185 /nfs/dbraw/zinc/92/81/85/203928185.db2.gz BSSRDYZKJUEAEW-SECBINFHSA-N -1 1 345.827 3.907 20 0 EHADMM Cc1cc(C)c([C@H](C)OC(=O)c2sccc2-c2nn[n-]n2)c(C)c1 ZINC000737244976 598845367 /nfs/dbraw/zinc/84/53/67/598845367.db2.gz AWIYGOKGTOUSTE-LBPRGKRZSA-N -1 1 342.424 3.771 20 0 EHADMM CC(C)(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000735671529 599230788 /nfs/dbraw/zinc/23/07/88/599230788.db2.gz YIVFZSRWJVVLTK-UHFFFAOYSA-N -1 1 342.834 3.596 20 0 EHADMM CC(C)(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000735671529 599230790 /nfs/dbraw/zinc/23/07/90/599230790.db2.gz YIVFZSRWJVVLTK-UHFFFAOYSA-N -1 1 342.834 3.596 20 0 EHADMM CC(C)(C)c1nc2cc(NCc3ccc(-c4nnn[n-]4)o3)ccc2o1 ZINC000819965420 607309819 /nfs/dbraw/zinc/30/98/19/607309819.db2.gz GBPVDXGPTXIFBR-UHFFFAOYSA-N -1 1 338.371 3.511 20 0 EHADMM CC(C)(C)c1nc2cc(NCc3ccc(-c4nn[n-]n4)o3)ccc2o1 ZINC000819965420 607309820 /nfs/dbraw/zinc/30/98/20/607309820.db2.gz GBPVDXGPTXIFBR-UHFFFAOYSA-N -1 1 338.371 3.511 20 0 EHADMM CCSc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821460792 607316824 /nfs/dbraw/zinc/31/68/24/607316824.db2.gz CTHJVGKUOFIZSS-UHFFFAOYSA-N -1 1 335.820 3.837 20 0 EHADMM CCSc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821460792 607316825 /nfs/dbraw/zinc/31/68/25/607316825.db2.gz CTHJVGKUOFIZSS-UHFFFAOYSA-N -1 1 335.820 3.837 20 0 EHADMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1C ZINC000737322335 598577470 /nfs/dbraw/zinc/57/74/70/598577470.db2.gz YKUFGLGXAVEWGW-NSHDSACASA-N -1 1 328.807 3.705 20 0 EHADMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1C ZINC000737322335 598577472 /nfs/dbraw/zinc/57/74/72/598577472.db2.gz YKUFGLGXAVEWGW-NSHDSACASA-N -1 1 328.807 3.705 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000320977943 599754246 /nfs/dbraw/zinc/75/42/46/599754246.db2.gz KZJALTOVUVUJTR-OAHLLOKOSA-N -1 1 334.803 3.824 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@H](C)c2cc(C)cc(C)c2)c(C)c1C(=O)[O-] ZINC000738363114 600139837 /nfs/dbraw/zinc/13/98/37/600139837.db2.gz CEFZZCVNSZFSAN-UKRRQHHQSA-N -1 1 342.439 3.869 20 0 EHADMM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cccc(C(=O)[O-])c1 ZINC000263476300 600144293 /nfs/dbraw/zinc/14/42/93/600144293.db2.gz MRIYVSZFGCFCHM-GOSISDBHSA-N -1 1 325.408 3.737 20 0 EHADMM COc1ccc2cc(CN[C@@H](C(=O)[O-])c3ccccc3F)ccc2c1 ZINC000426804071 600734109 /nfs/dbraw/zinc/73/41/09/600734109.db2.gz RSAQDROJLVDAOI-LJQANCHMSA-N -1 1 339.366 3.903 20 0 EHADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)C1 ZINC000179990857 600836661 /nfs/dbraw/zinc/83/66/61/600836661.db2.gz VSFBRIKEKNWCTQ-QWHCGFSZSA-N -1 1 341.411 3.660 20 0 EHADMM O=C([O-])CCCSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000739697011 600987347 /nfs/dbraw/zinc/98/73/47/600987347.db2.gz FIXMWVSOKGRMKE-UHFFFAOYSA-N -1 1 332.212 3.735 20 0 EHADMM O=C([O-])c1ccc(OCCN2CCC[C@@H]2c2ccc[nH]2)c(Cl)c1 ZINC000833321650 600989067 /nfs/dbraw/zinc/98/90/67/600989067.db2.gz XTVXZQRSKHSNAY-OAHLLOKOSA-N -1 1 334.803 3.582 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@@H](C)c2ccc(F)c(C)c2)c(C)c1C(=O)[O-] ZINC000832878279 601370175 /nfs/dbraw/zinc/37/01/75/601370175.db2.gz XGAGPISWJDLRLG-AAEUAGOBSA-N -1 1 346.402 3.699 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccc(C)c(F)c2)c(C)c1C(=O)[O-] ZINC000832920827 601500173 /nfs/dbraw/zinc/50/01/73/601500173.db2.gz IAXCRCHAWYHKPZ-YPMHNXCESA-N -1 1 346.402 3.699 20 0 EHADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000569492606 601583903 /nfs/dbraw/zinc/58/39/03/601583903.db2.gz NREFHSHBCILRFC-PMACEKPBSA-N -1 1 339.435 3.536 20 0 EHADMM C/C(=C\CN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl)C(=O)[O-] ZINC000825741736 601907699 /nfs/dbraw/zinc/90/76/99/601907699.db2.gz QXMAQBZSEZYADI-WEKMIXOTSA-N -1 1 339.867 3.669 20 0 EHADMM CCN(CC)Cc1ccc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)o1 ZINC000739411230 602305702 /nfs/dbraw/zinc/30/57/02/602305702.db2.gz QWEGNNKHOCNWSA-UHFFFAOYSA-N -1 1 349.362 3.603 20 0 EHADMM O=C([O-])N1CCCc2cc(NC(=O)c3c(O)cccc3Cl)ccc21 ZINC000740466633 602577019 /nfs/dbraw/zinc/57/70/19/602577019.db2.gz ZMARNXBSHIZZDI-UHFFFAOYSA-N -1 1 346.770 3.729 20 0 EHADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2c(O)cccc2Cl)cc1 ZINC000825442380 604004131 /nfs/dbraw/zinc/00/41/31/604004131.db2.gz FGQXWMAZOMQFAB-VIFPVBQESA-N -1 1 334.759 3.627 20 0 EHADMM C[C@H](Sc1snc(Cl)c1-c1nnn[n-]1)c1cccs1 ZINC000824763612 608184994 /nfs/dbraw/zinc/18/49/94/608184994.db2.gz NZGZNTRSYUTLKI-YFKPBYRVSA-N -1 1 329.863 3.891 20 0 EHADMM C[C@H](Sc1snc(Cl)c1-c1nn[n-]n1)c1cccs1 ZINC000824763612 608184997 /nfs/dbraw/zinc/18/49/97/608184997.db2.gz NZGZNTRSYUTLKI-YFKPBYRVSA-N -1 1 329.863 3.891 20 0 EHADMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548035 605104462 /nfs/dbraw/zinc/10/44/62/605104462.db2.gz KLYXSMCGKDVCGA-JTQLQIEISA-N -1 1 326.318 3.925 20 0 EHADMM C[C@@H](NCc1ccoc1C(=O)[O-])c1ccc(F)c(Br)c1 ZINC000833739271 605136194 /nfs/dbraw/zinc/13/61/94/605136194.db2.gz XXCHIWZNCHKDPN-MRVPVSSYSA-N -1 1 342.164 3.730 20 0 EHADMM O=C([O-])N1CCc2cccc(CN3CCC[C@H](C(F)(F)F)C3)c21 ZINC000834124025 605462948 /nfs/dbraw/zinc/46/29/48/605462948.db2.gz ZJBLRIDMHKHAMW-ZDUSSCGKSA-N -1 1 328.334 3.501 20 0 EHADMM ClC(=Cc1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2o1 ZINC000822563175 606389517 /nfs/dbraw/zinc/38/95/17/606389517.db2.gz GAZUJCNGAIQIGH-VQHVLOKHSA-N -1 1 329.772 3.806 20 0 EHADMM Fc1cccc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)c1 ZINC000822786307 606733862 /nfs/dbraw/zinc/73/38/62/606733862.db2.gz IWHGVGULPMUDCA-SFHVURJKSA-N -1 1 346.369 3.602 20 0 EHADMM Fc1cccc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)c1 ZINC000822786307 606733863 /nfs/dbraw/zinc/73/38/63/606733863.db2.gz IWHGVGULPMUDCA-SFHVURJKSA-N -1 1 346.369 3.602 20 0 EHADMM FC(F)(F)CCc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822718447 606772750 /nfs/dbraw/zinc/77/27/50/606772750.db2.gz IODOCKJVDQEQJJ-UHFFFAOYSA-N -1 1 337.305 3.567 20 0 EHADMM FC(F)(F)CCc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822718447 606772752 /nfs/dbraw/zinc/77/27/52/606772752.db2.gz IODOCKJVDQEQJJ-UHFFFAOYSA-N -1 1 337.305 3.567 20 0 EHADMM C[C@@H]1CCc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824966591 608193768 /nfs/dbraw/zinc/19/37/68/608193768.db2.gz CBMXLSHDTNAQRA-PRHODGIISA-N -1 1 346.847 3.712 20 0 EHADMM C[C@@H]1CCc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824966591 608193769 /nfs/dbraw/zinc/19/37/69/608193769.db2.gz CBMXLSHDTNAQRA-PRHODGIISA-N -1 1 346.847 3.712 20 0 EHADMM Cc1ccc2c(c1)[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H](C)C2 ZINC000826294402 609570369 /nfs/dbraw/zinc/57/03/69/609570369.db2.gz QLDLGBLHJAKGGK-QPUJVOFHSA-N -1 1 346.847 3.630 20 0 EHADMM Cc1ccc2c(c1)[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H](C)C2 ZINC000826294402 609570372 /nfs/dbraw/zinc/57/03/72/609570372.db2.gz QLDLGBLHJAKGGK-QPUJVOFHSA-N -1 1 346.847 3.630 20 0 EHADMM CC[C@H](C)[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825052421 609600672 /nfs/dbraw/zinc/60/06/72/609600672.db2.gz WFHPAYUYRHBPOJ-UWVGGRQHSA-N -1 1 335.477 3.846 20 0 EHADMM CC[C@H](C)[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825052421 609600673 /nfs/dbraw/zinc/60/06/73/609600673.db2.gz WFHPAYUYRHBPOJ-UWVGGRQHSA-N -1 1 335.477 3.846 20 0 EHADMM COc1ccc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000324168023 971091617 /nfs/dbraw/zinc/09/16/17/971091617.db2.gz QLZGDPDZIJDMDZ-CYBMUJFWSA-N -1 1 331.334 3.556 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000824899749 946981421 /nfs/dbraw/zinc/98/14/21/946981421.db2.gz NSIKEJLEWSFJJN-ZJUUUORDSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899749 946981435 /nfs/dbraw/zinc/98/14/35/946981435.db2.gz NSIKEJLEWSFJJN-ZJUUUORDSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@@H](CCSc1ccccc1)Sc1cccnc1-c1nnn[n-]1 ZINC001574692948 949046942 /nfs/dbraw/zinc/04/69/42/949046942.db2.gz DSQADWAJBVLSBM-LBPRGKRZSA-N -1 1 343.481 3.925 20 0 EHADMM C[C@@H](CCSc1ccccc1)Sc1cccnc1-c1nn[n-]n1 ZINC001574692948 949046963 /nfs/dbraw/zinc/04/69/63/949046963.db2.gz DSQADWAJBVLSBM-LBPRGKRZSA-N -1 1 343.481 3.925 20 0 EHADMM C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302493632 950567068 /nfs/dbraw/zinc/56/70/68/950567068.db2.gz JMYQHPXCLLSKLI-SUNKGSAMSA-N -1 1 326.234 3.553 20 0 EHADMM C[C@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]1C(=O)[O-] ZINC000424274241 953450215 /nfs/dbraw/zinc/45/02/15/953450215.db2.gz YMNYNIDXUDTWSA-MEDUHNTESA-N -1 1 334.803 3.680 20 0 EHADMM O=C([O-])CCN1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000626008699 953797565 /nfs/dbraw/zinc/79/75/65/953797565.db2.gz HBDQWMPHLNZNSE-LBPRGKRZSA-N -1 1 332.625 3.714 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC001589032713 955531162 /nfs/dbraw/zinc/53/11/62/955531162.db2.gz KWAWALPEZIXACM-AWEZNQCLSA-N -1 1 334.460 3.524 20 0 EHADMM C[C@H](NC1CCC(C(=O)[O-])CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000859799117 955911826 /nfs/dbraw/zinc/91/18/26/955911826.db2.gz PHTCBJCOYMHIEU-JKDOVBDQSA-N -1 1 349.818 3.684 20 0 EHADMM C[C@H](CN(C)[C@@H](C)c1nnc(-c2ccc3ccccc3c2)o1)C(=O)[O-] ZINC001603155516 972255077 /nfs/dbraw/zinc/25/50/77/972255077.db2.gz ATSUMXBDMUPFJI-OLZOCXBDSA-N -1 1 339.395 3.603 20 0 EHADMM Cc1nc2c(n1Cc1ccc(C(=O)[O-])cc1Br)CCCC2 ZINC000226709487 959895188 /nfs/dbraw/zinc/89/51/88/959895188.db2.gz FJELJXCKZBYAIB-UHFFFAOYSA-N -1 1 349.228 3.579 20 0 EHADMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Br)c(Cl)c1 ZINC000236430665 960588862 /nfs/dbraw/zinc/58/88/62/960588862.db2.gz ZPHOCRVOPLWGSZ-JTQLQIEISA-N -1 1 332.625 3.542 20 0 EHADMM O=C([O-])C1CCN(Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000263397552 962558686 /nfs/dbraw/zinc/55/86/86/962558686.db2.gz HARNCHSHVKOLDT-UHFFFAOYSA-N -1 1 337.847 3.958 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000263561685 962731192 /nfs/dbraw/zinc/73/11/92/962731192.db2.gz CGUJXVNCYAVNHS-HNNXBMFYSA-N -1 1 331.799 3.692 20 0 EHADMM O=C([O-])c1ccc(CN(Cc2ccccc2)Cc2ccccc2)nc1 ZINC000309579461 963356330 /nfs/dbraw/zinc/35/63/30/963356330.db2.gz ZLTCWHWYCRIHQZ-UHFFFAOYSA-N -1 1 332.403 3.982 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Br)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000583499278 968480942 /nfs/dbraw/zinc/48/09/42/968480942.db2.gz ADSLRWFGHAFFCE-BXKDBHETSA-N -1 1 346.652 3.645 20 0 EHADMM CSc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000417697759 973967752 /nfs/dbraw/zinc/96/77/52/973967752.db2.gz FCLFYKQTEQNMNX-UHFFFAOYSA-N -1 1 328.437 3.669 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(Br)c(F)c1)c1ccsc1 ZINC000426825286 974048571 /nfs/dbraw/zinc/04/85/71/974048571.db2.gz AMPGSFCGFAPTPV-LBPRGKRZSA-N -1 1 344.205 3.565 20 0 EHADMM O=C([O-])c1occc1CN1CCC(Oc2ccccc2Cl)CC1 ZINC000514867019 974293408 /nfs/dbraw/zinc/29/34/08/974293408.db2.gz PPLULBWKEFGFNN-UHFFFAOYSA-N -1 1 335.787 3.675 20 0 EHADMM C[C@@H](CN(Cc1cc(-c2ccccc2Cl)on1)C1CC1)C(=O)[O-] ZINC000571097169 974723429 /nfs/dbraw/zinc/72/34/29/974723429.db2.gz OQPMPUWQMUHFEE-NSHDSACASA-N -1 1 334.803 3.680 20 0 EHADMM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000576241559 974811446 /nfs/dbraw/zinc/81/14/46/974811446.db2.gz ADVUUVBPODSCGI-UHFFFAOYSA-N -1 1 343.301 3.551 20 0 EHADMM Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1Br ZINC000577011789 974827533 /nfs/dbraw/zinc/82/75/33/974827533.db2.gz XQGVWYPKHITWQD-OAHLLOKOSA-N -1 1 334.213 3.673 20 0 EHADMM CC(C)Oc1ccccc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000581256455 974907747 /nfs/dbraw/zinc/90/77/47/974907747.db2.gz ASJWJQPZYRRNJB-UHFFFAOYSA-N -1 1 343.423 3.569 20 0 EHADMM CC[C@H](OCCN1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000659792302 975880318 /nfs/dbraw/zinc/88/03/18/975880318.db2.gz SEHYXYPKCFXNHB-FQEVSTJZSA-N -1 1 339.435 3.911 20 0 EHADMM C[C@](CC(=O)[O-])(NCc1ccc(-c2ccccc2)o1)c1ccncc1 ZINC001592329063 977751983 /nfs/dbraw/zinc/75/19/83/977751983.db2.gz QOFMCZOBGZTJDC-HXUWFJFHSA-N -1 1 336.391 3.821 20 0 EHADMM C[C@](CC(=O)[O-])(NCc1ccc(Cl)cc1Cl)c1ccncc1 ZINC001592329322 977756983 /nfs/dbraw/zinc/75/69/83/977756983.db2.gz VICJUDAOKXXQAA-MRXNPFEDSA-N -1 1 339.222 3.868 20 0 EHADMM O=C([O-])[C@@H](NC/C=C/c1ccc(F)cc1F)c1cc(F)ccc1F ZINC000756365062 978699755 /nfs/dbraw/zinc/69/97/55/978699755.db2.gz QXVJPOUWOMOAMO-PYKQWIPUSA-N -1 1 339.288 3.672 20 0 EHADMM O=C([O-])C[C@@H]1CN(Cc2cccc(-c3ccc(Cl)cc3)c2)CCO1 ZINC000901504427 980325672 /nfs/dbraw/zinc/32/56/72/980325672.db2.gz YWIQQRKPMSXYHI-GOSISDBHSA-N -1 1 345.826 3.683 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2c(Cl)cncc2Cl)C1 ZINC000901522972 980342444 /nfs/dbraw/zinc/34/24/44/980342444.db2.gz SQIPDZHZZYDBRV-SNVBAGLBSA-N -1 1 331.243 3.711 20 0 EHADMM CC[C@](NCc1ccc(Cl)nc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595299648 980429420 /nfs/dbraw/zinc/42/94/20/980429420.db2.gz AYADXUPAGFUDQV-MRXNPFEDSA-N -1 1 339.222 3.868 20 0 EHADMM O=C([O-])c1cccc2c1CCN(CCc1ccc(F)cc1Cl)C2 ZINC000901746661 980477264 /nfs/dbraw/zinc/47/72/64/980477264.db2.gz VRZHVFXNRUCQTQ-UHFFFAOYSA-N -1 1 333.790 3.778 20 0 EHADMM CC(C)(C)OCc1cccc(CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000902214741 980786335 /nfs/dbraw/zinc/78/63/35/980786335.db2.gz ZDAORDFQYILJOP-KTKRTIGZSA-N -1 1 343.423 3.982 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000903602042 980983700 /nfs/dbraw/zinc/98/37/00/980983700.db2.gz LZSHIRZXYDTBCP-ZDUSSCGKSA-N -1 1 343.398 3.694 20 0 EHADMM CCCC[C@@H](C(=O)[O-])N1CCc2cc(Br)c(F)cc2C1 ZINC001595628329 981784950 /nfs/dbraw/zinc/78/49/50/981784950.db2.gz VBLNPELYFQAYJQ-AWEZNQCLSA-N -1 1 344.224 3.590 20 0 EHADMM CC[C@](C)(CC(=O)[O-])NCc1nnc(-c2cccc3ccccc32)o1 ZINC001594828694 981998053 /nfs/dbraw/zinc/99/80/53/981998053.db2.gz IWMJRXPTYZUGJT-LJQANCHMSA-N -1 1 339.395 3.623 20 0 EHADMM C[C@@]1(C(=O)[O-])CCN(Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)C1 ZINC000923244406 982851262 /nfs/dbraw/zinc/85/12/62/982851262.db2.gz 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ZINC000471194435 1015481529 /nfs/dbraw/zinc/48/15/29/1015481529.db2.gz KMISGKYMUCFGKK-LBPRGKRZSA-N -1 1 341.440 3.569 20 0 EHADMM COc1cccc(CN(CC(C)C)C(=O)c2ccc([O-])cc2F)c1 ZINC001625821838 1015681504 /nfs/dbraw/zinc/68/15/04/1015681504.db2.gz WIBMVYJJOSOPJO-UHFFFAOYSA-N -1 1 331.387 3.838 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(Br)c(F)cc1F ZINC000430273028 1015688527 /nfs/dbraw/zinc/68/85/27/1015688527.db2.gz ZRUIRHJLNGNHPT-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM CC(C)Cc1ccc([C@H](NCc2oncc2C(=O)[O-])C2CC2)cc1 ZINC001591484668 992612256 /nfs/dbraw/zinc/61/22/56/992612256.db2.gz QNOVUMMIOPVAFC-SFHVURJKSA-N -1 1 328.412 3.812 20 0 EHADMM O=C(CC[C@@H]1CCCCO1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000339844415 1015736911 /nfs/dbraw/zinc/73/69/11/1015736911.db2.gz YHHUIJFDJCECAX-JTQLQIEISA-N -1 1 339.848 3.501 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1cc(C(=O)[O-])oc1C)[C@H]2C ZINC001599627144 994165186 /nfs/dbraw/zinc/16/51/86/994165186.db2.gz SNTGYRFRFLLECY-RYUDHWBXSA-N -1 1 329.396 3.803 20 0 EHADMM COc1ccc2c(c1)C[C@@H](C)N(Cc1cc(C(=O)[O-])c(C)n1C)[C@@H]2C ZINC001599627358 994168187 /nfs/dbraw/zinc/16/81/87/994168187.db2.gz WDAZUQIABOQZHF-TZMCWYRMSA-N -1 1 342.439 3.548 20 0 EHADMM COc1ccc2c(c1)CCN([C@@H](C(=O)[O-])c1cccc(Cl)c1)C2 ZINC001599628251 994180439 /nfs/dbraw/zinc/18/04/39/994180439.db2.gz KDDBKKRZKLBVFA-QGZVFWFLSA-N -1 1 331.799 3.533 20 0 EHADMM C[C@H](NCC1(Sc2ccccc2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593251902 994500356 /nfs/dbraw/zinc/50/03/56/994500356.db2.gz LUCQFTGRQCIUNX-NSHDSACASA-N -1 1 334.466 3.817 20 0 EHADMM CCc1ccc(CCNC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000442968662 1016055704 /nfs/dbraw/zinc/05/57/04/1016055704.db2.gz SUIPFJFOTCURGP-UHFFFAOYSA-N -1 1 333.815 3.589 20 0 EHADMM CC1(C)CCC[C@@](NCc2cc(-c3ccccc3)no2)(C(=O)[O-])C1 ZINC001593894615 996747592 /nfs/dbraw/zinc/74/75/92/996747592.db2.gz FFEVZVFUZONOKP-IBGZPJMESA-N -1 1 328.412 3.855 20 0 EHADMM COc1cc(CN(C(C)C)C(C)C)c(Br)cc1C(=O)[O-] ZINC001599404124 997265274 /nfs/dbraw/zinc/26/52/74/997265274.db2.gz IGDUBSFGEVQJFG-UHFFFAOYSA-N -1 1 344.249 3.775 20 0 EHADMM COc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599421521 997603052 /nfs/dbraw/zinc/60/30/52/997603052.db2.gz VRZZQXUENLVKHY-INIZCTEOSA-N -1 1 337.778 3.712 20 0 EHADMM C[C@@]1(c2ccccc2)CCCN(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001594079527 997968409 /nfs/dbraw/zinc/96/84/09/997968409.db2.gz GMYUGMRQZDDWNN-GOSISDBHSA-N -1 1 330.453 3.785 20 0 EHADMM CO[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC001599054041 999215019 /nfs/dbraw/zinc/21/50/19/999215019.db2.gz PZQHOVZAYLNDBG-CABZTGNLSA-N -1 1 340.832 3.533 20 0 EHADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1Cc1ccccc1 ZINC000182876349 1032147141 /nfs/dbraw/zinc/14/71/41/1032147141.db2.gz XWXIFFUYMUUJPC-UHFFFAOYSA-N -1 1 341.798 3.851 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000007053709 1016531163 /nfs/dbraw/zinc/53/11/63/1016531163.db2.gz QMELHRGLLZEERQ-UHFFFAOYSA-N -1 1 343.326 3.709 20 0 EHADMM O=C([O-])C[C@H](CNCc1csc(Cl)c1Cl)C(F)(F)F ZINC000417618191 1040069159 /nfs/dbraw/zinc/06/91/59/1040069159.db2.gz CWJQHVHYZOTQON-ZCFIWIBFSA-N -1 1 336.162 3.798 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2)ccc1OC(C)C ZINC000180248802 1016895428 /nfs/dbraw/zinc/89/54/28/1016895428.db2.gz JJTSRGHGPFPMBP-UHFFFAOYSA-N -1 1 340.832 3.631 20 0 EHADMM O=C(CSc1nccc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000340331670 1016957004 /nfs/dbraw/zinc/95/70/04/1016957004.db2.gz VVNXVDABRDZZOF-UHFFFAOYSA-N -1 1 328.368 3.810 20 0 EHADMM CC(C)O[C@H](CN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000659790561 1017017631 /nfs/dbraw/zinc/01/76/31/1017017631.db2.gz ALBOPKQKYQXPSS-LJQANCHMSA-N -1 1 325.408 3.867 20 0 EHADMM Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000188150721 1017066837 /nfs/dbraw/zinc/06/68/37/1017066837.db2.gz COYZVSDVOQKIHY-GFCCVEGCSA-N -1 1 343.452 3.796 20 0 EHADMM CCn1c(C(C)C)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000460215115 1032681698 /nfs/dbraw/zinc/68/16/98/1032681698.db2.gz QMKGYLOHMKITEJ-SWLSCSKDSA-N -1 1 336.867 3.685 20 0 EHADMM CC1(C)CN(C(=O)c2cc(Br)ccc2[O-])[C@H]2CCC[C@@H]21 ZINC000378833829 1017302663 /nfs/dbraw/zinc/30/26/63/1017302663.db2.gz LHAWWIZZGSPWNM-STQMWFEESA-N -1 1 338.245 3.805 20 0 EHADMM CC(C)(c1nnc([N-]C(=O)c2nccs2)s1)c1ccccc1 ZINC000683547474 1017309352 /nfs/dbraw/zinc/30/93/52/1017309352.db2.gz UFVSCSCRSBDJJD-UHFFFAOYSA-N -1 1 330.438 3.573 20 0 EHADMM Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c(C)s1 ZINC000111278962 1017435692 /nfs/dbraw/zinc/43/56/92/1017435692.db2.gz FQRHPASKQMVUHN-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM CCOc1cc(-c2noc([C@H](C)OCC3CC3)n2)cc(Cl)c1[O-] ZINC000683589603 1017561334 /nfs/dbraw/zinc/56/13/34/1017561334.db2.gz WKZHWYZJTVFGMU-VIFPVBQESA-N -1 1 338.791 3.982 20 0 EHADMM Cc1nc(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)[n-]c(=O)c1C ZINC000537414415 1032715130 /nfs/dbraw/zinc/71/51/30/1032715130.db2.gz KQGJNYSPXGORMJ-CQSZACIVSA-N -1 1 349.431 3.694 20 0 EHADMM Cc1nc(S[C@@H](C)c2nc(Cc3ccccc3)no2)[n-]c(=O)c1C 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Cc1cnc(-c2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2)o1 ZINC000377694694 1018196649 /nfs/dbraw/zinc/19/66/49/1018196649.db2.gz DYOQSPGFOKZHJX-UHFFFAOYSA-N -1 1 330.290 3.886 20 0 EHADMM Cc1cc(Br)c2c(c1)CCN(CCCCCC(=O)[O-])C2 ZINC000634692481 1018412709 /nfs/dbraw/zinc/41/27/09/1018412709.db2.gz BQHGJWMLYYOOFM-UHFFFAOYSA-N -1 1 340.261 3.761 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115221703 1018441875 /nfs/dbraw/zinc/44/18/75/1018441875.db2.gz WQAFKYNNAZKYEE-UHFFFAOYSA-N -1 1 349.789 3.868 20 0 EHADMM CCCCC1CCC(C(=O)NCCc2n[n-]c(=S)n2CC)CC1 ZINC000067076260 1018448758 /nfs/dbraw/zinc/44/87/58/1018448758.db2.gz PXKIAEVSVDLUKO-UHFFFAOYSA-N -1 1 338.521 3.616 20 0 EHADMM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CC2(CCCCC2)O1 ZINC000616720627 1018743920 /nfs/dbraw/zinc/74/39/20/1018743920.db2.gz QIXDWCQWVJMLDV-CQSZACIVSA-N -1 1 340.423 3.504 20 0 EHADMM O=C([O-])[C@H]1C[C@@H](NCc2ncccc2C(F)(F)F)c2ccccc21 ZINC000669478908 1032810957 /nfs/dbraw/zinc/81/09/57/1032810957.db2.gz 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[O-]c1ccc(-c2noc(-c3cncn3-c3ccc(F)cc3)n2)cc1F ZINC000436876507 1021327726 /nfs/dbraw/zinc/32/77/26/1021327726.db2.gz ZTRAAQFWOQYDCC-UHFFFAOYSA-N -1 1 340.289 3.573 20 0 EHADMM O=C(c1ccc(O)cc1[O-])N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000436884545 1021336266 /nfs/dbraw/zinc/33/62/66/1021336266.db2.gz ATSVSRYAATWJIP-SFHVURJKSA-N -1 1 331.371 3.890 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cc(F)ccc3C)no2)c1 ZINC000436906129 1021351353 /nfs/dbraw/zinc/35/13/53/1021351353.db2.gz VHKVXXSFJBNNDE-UHFFFAOYSA-N -1 1 327.315 3.515 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(CC)c2)c1 ZINC000507580434 1021370880 /nfs/dbraw/zinc/37/08/80/1021370880.db2.gz CHNORVOLIQIYDQ-UHFFFAOYSA-N -1 1 335.400 3.782 20 0 EHADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C1CCCCCC1 ZINC000436916049 1021372279 /nfs/dbraw/zinc/37/22/79/1021372279.db2.gz UGHNFQDXUQCCHX-UHFFFAOYSA-N -1 1 334.807 3.740 20 0 EHADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C1CCCCCC1 ZINC000436916049 1021372298 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CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436964913 1021412230 /nfs/dbraw/zinc/41/22/30/1021412230.db2.gz IBKLEVXZYONHFB-MRXNPFEDSA-N -1 1 341.798 3.630 20 0 EHADMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436964744 1021412614 /nfs/dbraw/zinc/41/26/14/1021412614.db2.gz SFBCWXZUHOOXHE-MOPGFXCFSA-N -1 1 337.419 3.760 20 0 EHADMM CCc1cc(Br)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436954381 1021419594 /nfs/dbraw/zinc/41/95/94/1021419594.db2.gz GEJWNJLBFXXMEV-UHFFFAOYSA-N -1 1 348.196 3.539 20 0 EHADMM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000436953617 1021419656 /nfs/dbraw/zinc/41/96/56/1021419656.db2.gz AMRKAIZXTDMMMC-CQSZACIVSA-N -1 1 341.304 3.997 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)n1 ZINC000188096824 1021805595 /nfs/dbraw/zinc/80/55/95/1021805595.db2.gz XIHZYCNMCVIVFW-LBPRGKRZSA-N -1 1 345.468 3.577 20 0 EHADMM CCc1ccc(-c2nc(CN3CC[C@@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000516970104 1021904476 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CCN(Cc1cccc(Cl)c1)C(=O)c1c(F)ccc([O-])c1F ZINC000438776822 1022992973 /nfs/dbraw/zinc/99/29/73/1022992973.db2.gz JEVMHZXCXAAQFS-UHFFFAOYSA-N -1 1 325.742 3.986 20 0 EHADMM Cc1cc(C)cc([C@H](NCc2cc(Cl)cc3c2OCC3)C(=O)[O-])c1 ZINC000426751000 1023021790 /nfs/dbraw/zinc/02/17/90/1023021790.db2.gz RTCRERDPRVLBOY-KRWDZBQOSA-N -1 1 345.826 3.807 20 0 EHADMM O=C([O-])C[C@@H](NCc1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000426814672 1023062807 /nfs/dbraw/zinc/06/28/07/1023062807.db2.gz AEVWPZVXRAKQQA-OAHLLOKOSA-N -1 1 325.742 3.924 20 0 EHADMM COc1cc(C(=O)Nc2cc(F)c(F)cc2OC)cc(Cl)c1[O-] ZINC000426837894 1023074070 /nfs/dbraw/zinc/07/40/70/1023074070.db2.gz ZWAFEBQALBKYNI-UHFFFAOYSA-N -1 1 343.713 3.593 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1CC ZINC000507018879 1023079017 /nfs/dbraw/zinc/07/90/17/1023079017.db2.gz BDJZHLJWBQBOSO-UHFFFAOYSA-N -1 1 331.437 3.642 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc2ccccc2c1 ZINC000509592342 1023095377 /nfs/dbraw/zinc/09/53/77/1023095377.db2.gz 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EHADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000522366423 1024375266 /nfs/dbraw/zinc/37/52/66/1024375266.db2.gz XCRMDUCUHHVWDE-UHFFFAOYSA-N -1 1 345.827 3.674 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000327121806 1024376721 /nfs/dbraw/zinc/37/67/21/1024376721.db2.gz FAMUJRQJLNCIBJ-QRQLOZEOSA-N -1 1 339.435 3.701 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cccc2ncccc21 ZINC000508031222 1024839253 /nfs/dbraw/zinc/83/92/53/1024839253.db2.gz GCUWNGFVWZLQST-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM Cc1ccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cn2)cc1C ZINC000346576372 1024915629 /nfs/dbraw/zinc/91/56/29/1024915629.db2.gz PVRMRAKTXONVPY-UHFFFAOYSA-N -1 1 335.363 3.844 20 0 EHADMM CCCc1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n[nH]1 ZINC000474426760 1024946413 /nfs/dbraw/zinc/94/64/13/1024946413.db2.gz LMQFXXHLOFTGNH-UHFFFAOYSA-N -1 1 349.843 3.970 20 0 EHADMM CCO[C@@H](C)c1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000346717842 1025058113 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CC(C)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000436255326 1025513747 /nfs/dbraw/zinc/51/37/47/1025513747.db2.gz UURUEDZPNJNAFJ-BLLLJJGKSA-N -1 1 349.500 3.577 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCCC[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000442957376 1025614850 /nfs/dbraw/zinc/61/48/50/1025614850.db2.gz NOTUUCQMMWXCJT-JSGCOSHPSA-N -1 1 325.836 3.999 20 0 EHADMM O=C(NC/C=C/c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000179308005 1025669124 /nfs/dbraw/zinc/66/91/24/1025669124.db2.gz ACCBVXLTTDMPPT-QPJJXVBHSA-N -1 1 332.197 3.598 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000436504099 1025796613 /nfs/dbraw/zinc/79/66/13/1025796613.db2.gz JXOPNNRYQICJBZ-UHFFFAOYSA-N -1 1 340.162 3.738 20 0 EHADMM O=C(Nc1cccc(N2CCCCCC2)c1)C(=O)c1ccc([O-])cc1 ZINC000436515461 1025814174 /nfs/dbraw/zinc/81/41/74/1025814174.db2.gz RIZKCAQPZDKGRZ-UHFFFAOYSA-N -1 1 338.407 3.594 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)CC/C=C/c2ccccc2)c1 ZINC000436501992 1025816616 /nfs/dbraw/zinc/81/66/16/1025816616.db2.gz 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O=S(=O)([N-]Cc1ccc(C2CC2)cc1F)c1cc2ccccc2o1 ZINC000582344426 1025919150 /nfs/dbraw/zinc/91/91/50/1025919150.db2.gz SRLFOXYKTZMRBJ-UHFFFAOYSA-N -1 1 345.395 3.928 20 0 EHADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000444213785 1025929396 /nfs/dbraw/zinc/92/93/96/1025929396.db2.gz CUQAIWCAUBKXEU-BDAKNGLRSA-N -1 1 341.782 3.826 20 0 EHADMM COC(=O)Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436600103 1025932159 /nfs/dbraw/zinc/93/21/59/1025932159.db2.gz ZVRSOLGPZGAIOS-UHFFFAOYSA-N -1 1 335.359 3.513 20 0 EHADMM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc(Cl)ccc1[O-])C2 ZINC000436616960 1025948833 /nfs/dbraw/zinc/94/88/33/1025948833.db2.gz LMOOQGCFSWERJN-UHFFFAOYSA-N -1 1 343.810 3.742 20 0 EHADMM O=C(C(=O)N1C[C@@H](c2ccccc2)c2ccccc21)c1ccc([O-])cc1 ZINC000436628282 1025957176 /nfs/dbraw/zinc/95/71/76/1025957176.db2.gz YEOWZWLOCGPZII-IBGZPJMESA-N -1 1 343.382 3.754 20 0 EHADMM COc1ccc([C@@H](NC(=O)c2cc(F)ccc2[O-])C(F)(F)F)cc1 ZINC000436628252 1025958445 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CCOc1ccc(-c2noc(-c3ccc(OC)cc3[O-])n2)cc1F ZINC000436691179 1026049321 /nfs/dbraw/zinc/04/93/21/1026049321.db2.gz XJMLVJQAMHFJKA-UHFFFAOYSA-N -1 1 330.315 3.656 20 0 EHADMM O=C(NC1CCCCC1)c1ccc(NC(=O)C2(CCF)CC2)cc1[O-] ZINC000436710101 1026053855 /nfs/dbraw/zinc/05/38/55/1026053855.db2.gz YTGRSTPEAGLESD-UHFFFAOYSA-N -1 1 348.418 3.533 20 0 EHADMM C[C@H](CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000436735640 1026101106 /nfs/dbraw/zinc/10/11/06/1026101106.db2.gz HCXLRHOTKGKCIP-KGLIPLIRSA-N -1 1 347.842 3.672 20 0 EHADMM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1sc2ccccc2c1Cl ZINC000451556521 1026111225 /nfs/dbraw/zinc/11/12/25/1026111225.db2.gz VLBJFBSFAAMNNS-BDAKNGLRSA-N -1 1 333.837 3.724 20 0 EHADMM C[C@@H](Oc1ccccc1NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436741399 1026111940 /nfs/dbraw/zinc/11/19/40/1026111940.db2.gz VFEUIXRMBWTRMT-SNVBAGLBSA-N -1 1 325.286 3.974 20 0 EHADMM C[C@H](CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000436742516 1026112424 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339.420 3.902 20 0 EHADMM C[C@@H](CC(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1cccc(F)c1 ZINC000523869869 1028681453 /nfs/dbraw/zinc/68/14/53/1028681453.db2.gz XDFORKHOKNHHAH-NSHDSACASA-N -1 1 329.400 3.832 20 0 EHADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)F)cc1 ZINC000424062933 1028783013 /nfs/dbraw/zinc/78/30/13/1028783013.db2.gz IDPKNJJFLDEWDM-UHFFFAOYSA-N -1 1 341.379 3.614 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3COc4ccccc4C3)n2)c(Cl)c1 ZINC000445447750 1028805190 /nfs/dbraw/zinc/80/51/90/1028805190.db2.gz PQLIYZVUZINIIW-LLVKDONJSA-N -1 1 328.755 3.814 20 0 EHADMM COc1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)cc1O ZINC000445447660 1028805362 /nfs/dbraw/zinc/80/53/62/1028805362.db2.gz PCNPUPCVCQLRDM-CLTKARDFSA-N -1 1 344.754 3.980 20 0 EHADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1)C1CC1 ZINC000445465324 1028807905 /nfs/dbraw/zinc/80/79/05/1028807905.db2.gz YUSYQARHKFVNOP-UHFFFAOYSA-N -1 1 339.326 3.597 20 0 EHADMM COc1cccc2c1OCC(c1nc(-c3ccc([O-])cc3F)no1)=C2 ZINC000445457330 1028825611 /nfs/dbraw/zinc/82/56/11/1028825611.db2.gz YECMBHSCUKQVCG-UHFFFAOYSA-N -1 1 340.310 3.523 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccn(-c4ccccc4F)n3)n2)cc1F ZINC000445479039 1028837107 /nfs/dbraw/zinc/83/71/07/1028837107.db2.gz UPOWXZFIYQHRKY-UHFFFAOYSA-N -1 1 340.289 3.573 20 0 EHADMM O=C(Nc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1)C1CC1 ZINC000445482317 1028842856 /nfs/dbraw/zinc/84/28/56/1028842856.db2.gz OFHKSLGZHTZXPI-UHFFFAOYSA-N -1 1 339.326 3.597 20 0 EHADMM Cc1ccnn1-c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445484057 1028845817 /nfs/dbraw/zinc/84/58/17/1028845817.db2.gz VQZKXCUODXBUJR-UHFFFAOYSA-N -1 1 336.326 3.742 20 0 EHADMM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532881598 1028968369 /nfs/dbraw/zinc/96/83/69/1028968369.db2.gz ONSAZZNWJSCAIV-VXGBXAGGSA-N -1 1 349.818 3.638 20 0 EHADMM CCc1nc(SCC(=O)N(c2ccccc2)C(C)C)[n-]c(=O)c1C ZINC000583155644 1029031842 /nfs/dbraw/zinc/03/18/42/1029031842.db2.gz XYPOIFLDFPRNTK-UHFFFAOYSA-N -1 1 345.468 3.587 20 0 EHADMM Cc1cscc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000161648321 1029259562 /nfs/dbraw/zinc/25/95/62/1029259562.db2.gz KLIWMKDAHNOKOT-UHFFFAOYSA-N -1 1 337.344 3.756 20 0 EHADMM Cc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC001211986111 1029536222 /nfs/dbraw/zinc/53/62/22/1029536222.db2.gz GJZIPEKFSURMBI-UHFFFAOYSA-N -1 1 331.224 3.685 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1Cl ZINC000525017324 1029652307 /nfs/dbraw/zinc/65/23/07/1029652307.db2.gz QFHWTUJTYRQECH-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCN(CC)[C@H](CNc1cccc(C(=O)[O-])n1)c1ccccc1Cl ZINC000263514894 1029707593 /nfs/dbraw/zinc/70/75/93/1029707593.db2.gz OJJTVTXHPWHBJQ-MRXNPFEDSA-N -1 1 347.846 3.928 20 0 EHADMM Cc1nn(C)c(C)c1C[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278263805 1029859553 /nfs/dbraw/zinc/85/95/53/1029859553.db2.gz VBGGGSPNXOPFID-VIFPVBQESA-N -1 1 346.818 3.792 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000027639435 1029966357 /nfs/dbraw/zinc/96/63/57/1029966357.db2.gz 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347.418 3.662 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3C[C@@H](c4ccccc4)C[C@H]3C)cnc2n1 ZINC000115721500 1030912763 /nfs/dbraw/zinc/91/27/63/1030912763.db2.gz UEGOBBKXSNHALU-ZBFHGGJFSA-N -1 1 347.418 3.662 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@@H](c3ccccc3)C[C@H]1C)c2=O ZINC000115721500 1030912783 /nfs/dbraw/zinc/91/27/83/1030912783.db2.gz UEGOBBKXSNHALU-ZBFHGGJFSA-N -1 1 347.418 3.662 20 0 EHADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cnc(C3CC3)o2)cc1 ZINC000904001788 1031588326 /nfs/dbraw/zinc/58/83/26/1031588326.db2.gz GKIDZUJHPHEZEK-QGZVFWFLSA-N -1 1 328.412 3.981 20 0 EHADMM CCc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000904002615 1031589940 /nfs/dbraw/zinc/58/99/40/1031589940.db2.gz ZYDNIGZMFFDWQX-HNNXBMFYSA-N -1 1 325.380 3.894 20 0 EHADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(C)cnc2Cl)cc1 ZINC000904006598 1031624160 /nfs/dbraw/zinc/62/41/60/1031624160.db2.gz XXNWIOVDZXWAPF-MRXNPFEDSA-N -1 1 348.830 3.748 20 0 EHADMM O=C([O-])[C@H](C[C@@H]1CCCO1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000904032742 1031642416 /nfs/dbraw/zinc/64/24/16/1031642416.db2.gz XTQPIPUCIXMAPM-HOCLYGCPSA-N -1 1 349.814 3.712 20 0 EHADMM Cc1cc(Br)ccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000537732592 1031873479 /nfs/dbraw/zinc/87/34/79/1031873479.db2.gz PVFYQRDUDCXHKG-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM C[C@H](N=c1ccc(N2CCC(F)(F)C[C@@H]2C)n[n-]1)c1ccccc1 ZINC000528207665 1031902343 /nfs/dbraw/zinc/90/23/43/1031902343.db2.gz PMIDUFGTHOLHKP-KBPBESRZSA-N -1 1 332.398 3.696 20 0 EHADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2n[nH]c3cc(O)ccc32)o1 ZINC000615137549 1033487059 /nfs/dbraw/zinc/48/70/59/1033487059.db2.gz MUKLWFNQPFWJLM-QMTHXVAHSA-N -1 1 325.368 3.556 20 0 EHADMM CC(=O)c1ccc(OCCCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608365315 1033637939 /nfs/dbraw/zinc/63/79/39/1033637939.db2.gz GJLPSHRJYUQZIG-UHFFFAOYSA-N -1 1 331.343 3.532 20 0 EHADMM C/C=C\c1ccc(OCC(=O)Nc2c([O-])cccc2F)c(OC)c1 ZINC000608365441 1033639630 /nfs/dbraw/zinc/63/96/30/1033639630.db2.gz KAKQZNZGGQFLCK-HYXAFXHYSA-N -1 1 331.343 3.591 20 0 EHADMM C/C=C/c1ccc(OCC(=O)Nc2c([O-])cccc2F)c(OC)c1 ZINC000608365440 1033640815 /nfs/dbraw/zinc/64/08/15/1033640815.db2.gz KAKQZNZGGQFLCK-HWKANZROSA-N -1 1 331.343 3.591 20 0 EHADMM Cc1cc(C)n(-c2ccc(CC(=O)Nc3c([O-])cccc3F)cc2)n1 ZINC000608367559 1033643147 /nfs/dbraw/zinc/64/31/47/1033643147.db2.gz WURYBJJIDFZJNV-UHFFFAOYSA-N -1 1 339.370 3.515 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1ccc(F)cc1Cl ZINC000431626934 1033802027 /nfs/dbraw/zinc/80/20/27/1033802027.db2.gz YANADMMHCIXPNB-ZDUSSCGKSA-N -1 1 349.761 3.764 20 0 EHADMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000460454401 1034142886 /nfs/dbraw/zinc/14/28/86/1034142886.db2.gz LJVZZVXMWXBHRS-UHFFFAOYSA-N -1 1 347.436 3.788 20 0 EHADMM O=C(Nc1ccccc1NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000119746223 1034238130 /nfs/dbraw/zinc/23/81/30/1034238130.db2.gz OHPIPMPQWYNNCH-UHFFFAOYSA-N -1 1 332.359 3.897 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1 ZINC000119780957 1034243201 /nfs/dbraw/zinc/24/32/01/1034243201.db2.gz OYZRAZRUDPSTBS-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)c1 ZINC000604856041 1034528823 /nfs/dbraw/zinc/52/88/23/1034528823.db2.gz DOBBHOFSVIPRFH-UHFFFAOYSA-N -1 1 334.441 3.534 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC([C@H](O)c2ccccc2)CC1 ZINC000303052194 1034529887 /nfs/dbraw/zinc/52/98/87/1034529887.db2.gz SXNJPGMQNDKMTO-GOSISDBHSA-N -1 1 345.826 3.631 20 0 EHADMM CC[C@@H](C)[C@H](C)NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000171744004 1034612977 /nfs/dbraw/zinc/61/29/77/1034612977.db2.gz PPUPUCUVCABTJS-KGLIPLIRSA-N -1 1 346.500 3.857 20 0 EHADMM O=C(Nc1ccc(O)c(Cl)c1)c1cc(Br)ccc1[O-] ZINC000228195059 1034646159 /nfs/dbraw/zinc/64/61/59/1034646159.db2.gz DAAMDWNSTRFLGI-UHFFFAOYSA-N -1 1 342.576 3.766 20 0 EHADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)[C@@H]1OCCc2sccc21 ZINC000456784764 1034728639 /nfs/dbraw/zinc/72/86/39/1034728639.db2.gz MNLMGXPZFHWJQU-GLEZIHRCSA-N -1 1 339.363 3.621 20 0 EHADMM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc([O-])c(F)c1F 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/nfs/dbraw/zinc/97/91/78/1036979178.db2.gz GDOGKYQWRQUSKH-UHFFFAOYSA-N -1 1 332.404 3.600 20 0 EHADMM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000493265972 1037185172 /nfs/dbraw/zinc/18/51/72/1037185172.db2.gz YSIJDHZBGNIQPU-JTQLQIEISA-N -1 1 335.860 3.626 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccc1)C1CCC1)c1cccc(F)c1F ZINC000591392536 1037400440 /nfs/dbraw/zinc/40/04/40/1037400440.db2.gz OCBGCINKKJDIQI-QGZVFWFLSA-N -1 1 337.391 3.785 20 0 EHADMM CCc1nc(SCc2cc3c(c(Cl)c2)OCO3)[n-]c(=O)c1C ZINC000520839954 1037501906 /nfs/dbraw/zinc/50/19/06/1037501906.db2.gz YJGCDWZMSTUXHQ-UHFFFAOYSA-N -1 1 338.816 3.727 20 0 EHADMM Cc1ccc(-c2nc(C(=O)Nc3cc([O-])c(F)cc3F)cs2)o1 ZINC001625894449 1037804014 /nfs/dbraw/zinc/80/40/14/1037804014.db2.gz XRYXLUFZXOKWAL-UHFFFAOYSA-N -1 1 336.319 3.948 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C/c2cccnc2)c1 ZINC000182904182 1037920910 /nfs/dbraw/zinc/92/09/10/1037920910.db2.gz ZBBMIIIHKMDZAH-SNAWJCMRSA-N -1 1 333.185 3.510 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc2c(c1)CCC2 ZINC000540459426 1037958981 /nfs/dbraw/zinc/95/89/81/1037958981.db2.gz YQAYMBSCGXCUCC-UHFFFAOYSA-N -1 1 338.432 3.971 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1Cl ZINC000540498843 1038020240 /nfs/dbraw/zinc/02/02/40/1038020240.db2.gz PMCDELQVDPMLTE-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM O=C(Nc1cc(Br)c(F)cc1F)c1ccccc1[O-] ZINC000228197689 1038222934 /nfs/dbraw/zinc/22/29/34/1038222934.db2.gz ZYGWMBNXOUHCEH-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000397508052 1038255026 /nfs/dbraw/zinc/25/50/26/1038255026.db2.gz VTSJYETYSJGOMO-AAEUAGOBSA-N -1 1 334.803 3.680 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2cc(F)ccc21 ZINC000549407200 1038296469 /nfs/dbraw/zinc/29/64/69/1038296469.db2.gz DWXXDXUVXMQUTQ-UHFFFAOYSA-N -1 1 342.757 3.936 20 0 EHADMM Cc1c2ccc([N-]S(=O)(=O)c3ccccc3C(C)C)cc2nn1C ZINC000461334150 1038349845 /nfs/dbraw/zinc/34/98/45/1038349845.db2.gz SWGNSCQDFHHRDK-UHFFFAOYSA-N -1 1 343.452 3.806 20 0 EHADMM CCc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)cc1C ZINC000538809458 1038546721 /nfs/dbraw/zinc/54/67/21/1038546721.db2.gz KUVWMNLCGOUSGR-UHFFFAOYSA-N -1 1 346.452 3.571 20 0 EHADMM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000538940329 1038605990 /nfs/dbraw/zinc/60/59/90/1038605990.db2.gz ITBYLEQFQGWIDX-UHFFFAOYSA-N -1 1 341.791 3.605 20 0 EHADMM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CC1(Cl)Cl ZINC000182766547 1038635832 /nfs/dbraw/zinc/63/58/32/1038635832.db2.gz QRJJXKVXSGAODL-SSDLBLMSSA-N -1 1 348.098 3.878 20 0 EHADMM C[C@H](SCCC[N-]C(=O)C(F)(F)F)c1nc2ccccc2o1 ZINC000183450731 1038710077 /nfs/dbraw/zinc/71/00/77/1038710077.db2.gz BOABBQKTONDQBB-VIFPVBQESA-N -1 1 332.347 3.691 20 0 EHADMM COCC[C@H](C)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000416589808 1038812967 /nfs/dbraw/zinc/81/29/67/1038812967.db2.gz SFPGDARNTZTLRN-JTQLQIEISA-N -1 1 347.889 3.506 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000016130138 1038870751 /nfs/dbraw/zinc/87/07/51/1038870751.db2.gz NSLOSJJQMJVQJS-UHFFFAOYSA-N -1 1 343.326 3.709 20 0 EHADMM COc1ccc(N(C(=O)c2ccc(O)cc2[O-])[C@H](C)C2CC2)cc1 ZINC000195303570 1038900426 /nfs/dbraw/zinc/90/04/26/1038900426.db2.gz CWOBISFFZZJLNV-GFCCVEGCSA-N -1 1 327.380 3.552 20 0 EHADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000063849342 1038908010 /nfs/dbraw/zinc/90/80/10/1038908010.db2.gz OXZBTPXARMEKKH-UHFFFAOYSA-N -1 1 345.464 3.901 20 0 EHADMM COc1ccc([C@@H](NCc2cc(C(=O)[O-])c(C)o2)C2CCC2)cc1 ZINC000905747970 1039054794 /nfs/dbraw/zinc/05/47/94/1039054794.db2.gz CFPQNVZDEWFCLQ-SFHVURJKSA-N -1 1 329.396 3.926 20 0 EHADMM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1[O-] ZINC000195645193 1039062363 /nfs/dbraw/zinc/06/23/63/1039062363.db2.gz MNAZXGJVXLKNGQ-CYBMUJFWSA-N -1 1 347.798 3.856 20 0 EHADMM O=C([O-])C1(C(F)(F)F)CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000905740533 1039078755 /nfs/dbraw/zinc/07/87/55/1039078755.db2.gz SRWRLSYARZHSHF-UHFFFAOYSA-N -1 1 348.390 3.640 20 0 EHADMM C[C@H](NCc1csc(C(=O)[O-])c1)c1cc(Cl)cc2c1OCC2 ZINC000905772568 1039100103 /nfs/dbraw/zinc/10/01/03/1039100103.db2.gz YMEZIFVJTOUHQM-VIFPVBQESA-N -1 1 337.828 3.885 20 0 EHADMM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000488371150 1039126327 /nfs/dbraw/zinc/12/63/27/1039126327.db2.gz XHTGBTZCHDCOAF-UWVGGRQHSA-N -1 1 338.333 3.752 20 0 EHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432782867 1039175527 /nfs/dbraw/zinc/17/55/27/1039175527.db2.gz ZESULJAXBJXGPD-UHFFFAOYSA-N -1 1 336.482 3.584 20 0 EHADMM Cc1c(C(=O)Nc2cc(F)cc(F)c2[O-])[nH]c2c1C(=O)CC(C)(C)C2 ZINC000910980571 1039176489 /nfs/dbraw/zinc/17/64/89/1039176489.db2.gz WCOVFCQVABOZGF-UHFFFAOYSA-N -1 1 348.349 3.714 20 0 EHADMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000485621280 1039321193 /nfs/dbraw/zinc/32/11/93/1039321193.db2.gz PBETYOHHMWTNGX-HTQZYQBOSA-N -1 1 328.286 3.912 20 0 EHADMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc(Cl)ccc1[O-] ZINC000054589631 1039575435 /nfs/dbraw/zinc/57/54/35/1039575435.db2.gz QUADDQHRQVZBNF-UHFFFAOYSA-N -1 1 341.798 3.504 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)COc3ccc(Cl)cc3)[nH][n-]2)s1 ZINC000500860251 1039630653 /nfs/dbraw/zinc/63/06/53/1039630653.db2.gz RGKYASYUPWLQBC-UHFFFAOYSA-N -1 1 347.827 3.539 20 0 EHADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)[nH]n1 ZINC000485881717 1039644548 /nfs/dbraw/zinc/64/45/48/1039644548.db2.gz JKGMXVUTUMQWQG-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000912042645 1039657788 /nfs/dbraw/zinc/65/77/88/1039657788.db2.gz QMDPUXPRWDTFLK-MRXNPFEDSA-N -1 1 328.799 3.808 20 0 EHADMM Cc1nc(SCc2ccn(-c3ccc(F)cc3F)n2)[n-]c(=O)c1C ZINC000486065048 1039826071 /nfs/dbraw/zinc/82/60/71/1039826071.db2.gz LVFWROKBLVKNBC-UHFFFAOYSA-N -1 1 348.378 3.555 20 0 EHADMM CC(C)=CCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000480699913 1039923918 /nfs/dbraw/zinc/92/39/18/1039923918.db2.gz PORSTKBSDHDZOY-UHFFFAOYSA-N -1 1 341.782 3.993 20 0 EHADMM Cc1nc(SCCCN(CC(F)(F)F)C(C)C)[n-]c(=O)c1C ZINC000479118370 1039990746 /nfs/dbraw/zinc/99/07/46/1039990746.db2.gz DQUAWANBTDKHPU-UHFFFAOYSA-N -1 1 337.411 3.554 20 0 EHADMM COc1ccc([C@@H](C)CCN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553416383 1040039123 /nfs/dbraw/zinc/03/91/23/1040039123.db2.gz HVCLPNZHXMXZJA-VIFPVBQESA-N -1 1 331.363 3.593 20 0 EHADMM O=C([O-])CC[C@H](NCc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000417604042 1040051642 /nfs/dbraw/zinc/05/16/42/1040051642.db2.gz SZBVCEIHSAZSEJ-LBPRGKRZSA-N -1 1 344.358 3.858 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)=O)cc1CC ZINC000629314199 1040123647 /nfs/dbraw/zinc/12/36/47/1040123647.db2.gz QTWOABAQAUXPPL-UHFFFAOYSA-N -1 1 346.452 3.571 20 0 EHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1 ZINC000486548644 1040224029 /nfs/dbraw/zinc/22/40/29/1040224029.db2.gz KCCQRJNSGIZMQR-UHFFFAOYSA-N -1 1 333.388 3.626 20 0 EHADMM C[C@H]1OCC[C@@H]1c1nnc([N-]c2ccccc2OCC(F)(F)F)o1 ZINC000899246449 1040236609 /nfs/dbraw/zinc/23/66/09/1040236609.db2.gz GRPSMWMIJUBOFS-ZJUUUORDSA-N -1 1 343.305 3.647 20 0 EHADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000489972575 1040266076 /nfs/dbraw/zinc/26/60/76/1040266076.db2.gz PCLGXACEFYMUOZ-UHFFFAOYSA-N -1 1 349.786 3.718 20 0 EHADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1 ZINC000479575811 1040397160 /nfs/dbraw/zinc/39/71/60/1040397160.db2.gz SGHQGYKKXNVCHL-UHFFFAOYSA-N -1 1 345.420 3.731 20 0 EHADMM O=C(NCCCCCCc1ccccc1)c1cnc(C2CC2)[n-]c1=O ZINC000912989077 1040521988 /nfs/dbraw/zinc/52/19/88/1040521988.db2.gz DMIVZNBEEDSWHI-UHFFFAOYSA-N -1 1 339.439 3.593 20 0 EHADMM O=C(Nc1ccc(Cn2cccn2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000486938904 1040585145 /nfs/dbraw/zinc/58/51/45/1040585145.db2.gz PSQWKLXHJXSFFX-UHFFFAOYSA-N -1 1 342.786 3.934 20 0 EHADMM CC(C)(C(=O)Nc1cccc([O-])c1Br)C1CCOCC1 ZINC000908707804 1040602517 /nfs/dbraw/zinc/60/25/17/1040602517.db2.gz LIILOOYHCRHJLT-UHFFFAOYSA-N -1 1 342.233 3.546 20 0 EHADMM C[C@H]1CCN(Cc2ccc(Cl)cc2Br)C[C@@H]1C(=O)[O-] ZINC000576039623 1040794336 /nfs/dbraw/zinc/79/43/36/1040794336.db2.gz FSYJYKMMFGSLPR-CABZTGNLSA-N -1 1 346.652 3.645 20 0 EHADMM CCc1nc(C(C)C)ccc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000512782450 1040901700 /nfs/dbraw/zinc/90/17/00/1040901700.db2.gz GTABLSDFQUOBAX-UHFFFAOYSA-N -1 1 342.395 3.512 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc21 ZINC000500294195 1040949581 /nfs/dbraw/zinc/94/95/81/1040949581.db2.gz CTWZFHCGBOMDRP-UHFFFAOYSA-N -1 1 349.843 3.819 20 0 EHADMM CC(C)(C)c1nsc([N-]C(=O)c2cc(F)c(F)c(F)c2F)n1 ZINC000068073971 1040981693 /nfs/dbraw/zinc/98/16/93/1040981693.db2.gz CPZZDOQPUJGEDT-UHFFFAOYSA-N -1 1 333.310 3.644 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000068074827 1040985434 /nfs/dbraw/zinc/98/54/34/1040985434.db2.gz YJPPZZSVFYNBLA-UHFFFAOYSA-N -1 1 344.219 3.824 20 0 EHADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)nn1C1CCCCC1 ZINC000909985277 1041094656 /nfs/dbraw/zinc/09/46/56/1041094656.db2.gz HUFQEHFRNHVUJY-UHFFFAOYSA-N -1 1 335.354 3.933 20 0 EHADMM C[C@H]1CCCN(c2cc(C(=O)Nc3cc([O-])c(F)cc3F)ccn2)C1 ZINC000909987408 1041099850 /nfs/dbraw/zinc/09/98/50/1041099850.db2.gz UBHSIXQOWINXOO-NSHDSACASA-N -1 1 347.365 3.554 20 0 EHADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(Br)c([O-])c1 ZINC000487923296 1041183803 /nfs/dbraw/zinc/18/38/03/1041183803.db2.gz YJZKUTSZVIYOQU-TZMCWYRMSA-N -1 1 338.245 3.853 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000432072799 1041551712 /nfs/dbraw/zinc/55/17/12/1041551712.db2.gz UMDWYCGWZXZZNS-UHFFFAOYSA-N -1 1 341.841 3.640 20 0 EHADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc(C(F)F)o1 ZINC001125952198 1041559057 /nfs/dbraw/zinc/55/90/57/1041559057.db2.gz LQZKAKWZCOIDLL-UHFFFAOYSA-N -1 1 335.335 3.912 20 0 EHADMM C[C@@H](CN(C)C(=O)c1cc2ccccc2cc1[O-])c1nccs1 ZINC000185015429 1042626708 /nfs/dbraw/zinc/62/67/08/1042626708.db2.gz KVFROQLRCZUJNC-LBPRGKRZSA-N -1 1 326.421 3.878 20 0 EHADMM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1c([O-])cccc1F ZINC000185867320 1042643697 /nfs/dbraw/zinc/64/36/97/1042643697.db2.gz ZJVBGRPNZWCJGP-SFHVURJKSA-N -1 1 340.329 3.585 20 0 EHADMM CN(CC1(O)CCCCCC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000186931246 1042726512 /nfs/dbraw/zinc/72/65/12/1042726512.db2.gz IXYROGJPGNBUNL-UHFFFAOYSA-N -1 1 345.361 3.568 20 0 EHADMM Cc1nc(-c2ccc(NCCC(C)(C)C3CC3)nc2)[n-]c(=O)c1C ZINC000549631911 1043571624 /nfs/dbraw/zinc/57/16/24/1043571624.db2.gz BYXUWPGXHVOMES-UHFFFAOYSA-N -1 1 326.444 3.521 20 0 EHADMM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000344672614 1044268044 /nfs/dbraw/zinc/26/80/44/1044268044.db2.gz NCSMPNJIMFPUFQ-CQSZACIVSA-N -1 1 349.390 3.677 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1Cl ZINC000432648543 1044606255 /nfs/dbraw/zinc/60/62/55/1044606255.db2.gz ZMHRDDYKDLGMHV-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)C1CCCCC1 ZINC000620369590 1125558402 /nfs/dbraw/zinc/55/84/02/1125558402.db2.gz AHEMZCKBJPBIGT-LBPRGKRZSA-N -1 1 333.476 3.734 20 0 EHADMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)nc2C)cc1 ZINC000183496250 1125581112 /nfs/dbraw/zinc/58/11/12/1125581112.db2.gz QHTSZVMYYQYMFL-ZBEGNZNMSA-N -1 1 339.395 3.766 20 0 EHADMM C[C@H](Cc1cccc(F)c1)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000620525626 1125595019 /nfs/dbraw/zinc/59/50/19/1125595019.db2.gz VMWGZORNGMQHOQ-LLVKDONJSA-N -1 1 329.400 3.517 20 0 EHADMM COc1cc(C(=O)NCCc2ccc(Cl)s2)cc(Cl)c1[O-] ZINC000153596285 1125635356 /nfs/dbraw/zinc/63/53/56/1125635356.db2.gz CZCXNKLYKGIKFH-UHFFFAOYSA-N -1 1 346.235 3.742 20 0 EHADMM CCN(CCc1ccccc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153601277 1125636497 /nfs/dbraw/zinc/63/64/97/1125636497.db2.gz MXARBQSWXKRNTP-UHFFFAOYSA-N -1 1 333.815 3.759 20 0 EHADMM COc1cc(C(=O)N[C@H](C)Cc2ccc(C)s2)cc(Cl)c1[O-] ZINC000153863523 1125669508 /nfs/dbraw/zinc/66/95/08/1125669508.db2.gz BUESZFDOICMKKW-SECBINFHSA-N -1 1 339.844 3.785 20 0 EHADMM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc([O-])cc2F)n1 ZINC000154789456 1125756050 /nfs/dbraw/zinc/75/60/50/1125756050.db2.gz YCIZMTCRTFBHNS-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc([O-])cc1F ZINC000154937320 1125767820 /nfs/dbraw/zinc/76/78/20/1125767820.db2.gz NMFZBSMDWCGBLX-UHFFFAOYSA-N -1 1 332.762 3.639 20 0 EHADMM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622519248 1126713972 /nfs/dbraw/zinc/71/39/72/1126713972.db2.gz XKBZLDGNUMYEGI-OAHLLOKOSA-N -1 1 340.826 3.920 20 0 EHADMM O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1[O-] ZINC000011759985 1126930451 /nfs/dbraw/zinc/93/04/51/1126930451.db2.gz QSHUHQGGUOUHPO-UHFFFAOYSA-N -1 1 335.359 3.959 20 0 EHADMM CN(Cc1cccc(O)c1)Cc1c(F)c([O-])ccc1Br ZINC001238305965 1126968385 /nfs/dbraw/zinc/96/83/85/1126968385.db2.gz UMFQSUZBDBNXIL-UHFFFAOYSA-N -1 1 340.192 3.631 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cccc4cnccc43)no2)c1 ZINC000350567288 1127086653 /nfs/dbraw/zinc/08/66/53/1127086653.db2.gz LVSQECQAGSWCCC-UHFFFAOYSA-N -1 1 346.346 3.616 20 0 EHADMM CCOc1cc(-c2noc(-c3scnc3C)n2)cc(Cl)c1[O-] ZINC000350799123 1127102751 /nfs/dbraw/zinc/10/27/51/1127102751.db2.gz YVADPTLFEHKLJM-UHFFFAOYSA-N -1 1 337.788 3.926 20 0 EHADMM CCCC(=O)N1CCC(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000350810838 1127104125 /nfs/dbraw/zinc/10/41/25/1127104125.db2.gz AYAASRWMQQLKJN-UHFFFAOYSA-N -1 1 349.818 3.602 20 0 EHADMM Cc1nnc2ccc(-c3noc(-c4ccc5ccccc5c4[O-])n3)cn12 ZINC000350937208 1127121240 /nfs/dbraw/zinc/12/12/40/1127121240.db2.gz KYVMTZGVMMDABU-UHFFFAOYSA-N -1 1 343.346 3.614 20 0 EHADMM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000764113743 1127444841 /nfs/dbraw/zinc/44/48/41/1127444841.db2.gz VMJAXYCEWZTXBT-LLVKDONJSA-N -1 1 343.814 3.906 20 0 EHADMM Cc1cccc2c1CCN(C(=O)c1ccc(Br)c([O-])c1)C2 ZINC000764161169 1127455065 /nfs/dbraw/zinc/45/50/65/1127455065.db2.gz FFDYRGIMNAEIGN-UHFFFAOYSA-N -1 1 346.224 3.662 20 0 EHADMM CCCCc1nc(C(=O)OCC)c(NC(=O)CC2CCCCC2)[nH]1 ZINC001127966430 1127757567 /nfs/dbraw/zinc/75/75/67/1127757567.db2.gz LDSAYRFQHXYEQE-UHFFFAOYSA-N -1 1 335.448 3.838 20 0 EHADMM Cc1nc2cc(NC(=O)c3cc(Br)ccc3[O-])ccc2o1 ZINC000029796112 1127808684 /nfs/dbraw/zinc/80/86/84/1127808684.db2.gz LQDKEBJZZFAPSZ-UHFFFAOYSA-N -1 1 347.168 3.857 20 0 EHADMM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000031535124 1127835621 /nfs/dbraw/zinc/83/56/21/1127835621.db2.gz MTZZTQYXLCZIGU-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cccc2c1N=S=N2 ZINC000105389956 1127947986 /nfs/dbraw/zinc/94/79/86/1127947986.db2.gz HLCBYHMRPSIYNI-UHFFFAOYSA-N -1 1 345.327 3.631 20 0 EHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000064621408 1128172020 /nfs/dbraw/zinc/17/20/20/1128172020.db2.gz NOIMPMVERVBYMG-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM O=C(NCCCCOCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000064995808 1128182025 /nfs/dbraw/zinc/18/20/25/1128182025.db2.gz ZJOMSZQRQHLXEI-UHFFFAOYSA-N -1 1 333.815 3.772 20 0 EHADMM O=C(NCc1cccc(OC(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000064962094 1128182147 /nfs/dbraw/zinc/18/21/47/1128182147.db2.gz PRQFGLQQIBRHHT-UHFFFAOYSA-N -1 1 327.714 3.577 20 0 EHADMM CCN(Cc1occc1C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000666025592 1128455607 /nfs/dbraw/zinc/45/56/07/1128455607.db2.gz DOOOWSXATDANAF-UHFFFAOYSA-N -1 1 327.302 3.975 20 0 EHADMM CSc1cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)ccc1F ZINC000347651259 1128513192 /nfs/dbraw/zinc/51/31/92/1128513192.db2.gz JPKIEWDIPOTIPJ-UHFFFAOYSA-N -1 1 333.413 3.673 20 0 EHADMM COc1ccc(OCCCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111666660 1128880069 /nfs/dbraw/zinc/88/00/69/1128880069.db2.gz LSTYSVMWVCWGAH-UHFFFAOYSA-N -1 1 335.787 3.852 20 0 EHADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2C(C)C)ccc1C ZINC000188948554 1120518951 /nfs/dbraw/zinc/51/89/51/1120518951.db2.gz DPEXWINVRPWCBS-UHFFFAOYSA-N -1 1 346.452 3.878 20 0 EHADMM C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000231314553 1121028198 /nfs/dbraw/zinc/02/81/98/1121028198.db2.gz JFHDGKYCSKZBBE-NSHDSACASA-N -1 1 334.213 3.688 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000025365192 1121746797 /nfs/dbraw/zinc/74/67/97/1121746797.db2.gz OLHGHZFGAUTMNM-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c(C)s1 ZINC000055593868 1121842851 /nfs/dbraw/zinc/84/28/51/1121842851.db2.gz XYBXKKVFEXWZFV-UHFFFAOYSA-N -1 1 339.438 3.673 20 0 EHADMM C[C@H](CSc1nccc(C(F)(F)F)n1)C(=O)c1ccc([O-])cc1 ZINC000916563348 1122195005 /nfs/dbraw/zinc/19/50/05/1122195005.db2.gz UHZCNOWDUPWXAW-SECBINFHSA-N -1 1 342.342 3.812 20 0 EHADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000125849976 1122347739 /nfs/dbraw/zinc/34/77/39/1122347739.db2.gz PIEGMMPECQHSJN-NSHDSACASA-N -1 1 326.234 3.663 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@H](c2ccccc2)C1 ZINC000125937445 1122362497 /nfs/dbraw/zinc/36/24/97/1122362497.db2.gz JNTRHPJRIPLHSL-AWEZNQCLSA-N -1 1 346.224 3.784 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c(C)s1 ZINC000917059174 1122458349 /nfs/dbraw/zinc/45/83/49/1122458349.db2.gz ADRCDRNGVFBXLW-UHFFFAOYSA-N -1 1 336.482 3.766 20 0 EHADMM COc1cc(C)c(CN(C)C(=O)c2ccc(Cl)cc2[O-])cc1OC ZINC000127069947 1122460010 /nfs/dbraw/zinc/46/00/10/1122460010.db2.gz OBQQIEGJQFZTNP-UHFFFAOYSA-N -1 1 349.814 3.643 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1csc(-c2cccs2)n1 ZINC000067551621 1122520434 /nfs/dbraw/zinc/52/04/34/1122520434.db2.gz DLQKHBMDKFMULR-UHFFFAOYSA-N -1 1 344.393 3.913 20 0 EHADMM COCc1cc(-c2nc3ccc(Oc4ccccc4)cc3c(=O)[n-]2)no1 ZINC000672773433 1129067336 /nfs/dbraw/zinc/06/73/36/1129067336.db2.gz UCAFHSKWGJWXCO-UHFFFAOYSA-N -1 1 349.346 3.929 20 0 EHADMM CCOc1ncccc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000917753828 1122676959 /nfs/dbraw/zinc/67/69/59/1122676959.db2.gz WGKUAKWIFLKDNJ-LUAWRHEFSA-N -1 1 338.816 3.546 20 0 EHADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1cc(F)cc(F)c1 ZINC000497945062 1122709929 /nfs/dbraw/zinc/70/99/29/1122709929.db2.gz VCYMJGJLKYHNPN-UHFFFAOYSA-N -1 1 339.363 3.554 20 0 EHADMM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cc(Cl)ccc1F ZINC000556378451 1122955142 /nfs/dbraw/zinc/95/51/42/1122955142.db2.gz PIWSWWMMUQYJBQ-UHFFFAOYSA-N -1 1 340.228 3.673 20 0 EHADMM Cc1ccsc1-c1nsc([N-]C(=O)c2cc(C(C)C)on2)n1 ZINC000131412190 1123101253 /nfs/dbraw/zinc/10/12/53/1123101253.db2.gz SIRLLNAQYUYBDZ-UHFFFAOYSA-N -1 1 334.426 3.939 20 0 EHADMM COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000131952808 1123192540 /nfs/dbraw/zinc/19/25/40/1123192540.db2.gz ZVELXCZRHRXIBU-LBPRGKRZSA-N -1 1 333.815 3.757 20 0 EHADMM CC(C)(CC[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000919952322 1123243708 /nfs/dbraw/zinc/24/37/08/1123243708.db2.gz UWGZNTIMCSEHCB-UHFFFAOYSA-N -1 1 339.407 3.611 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc2n[nH]cc21 ZINC000499262110 1123314305 /nfs/dbraw/zinc/31/43/05/1123314305.db2.gz GQNAMSTXZBBTOO-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000132940301 1123320743 /nfs/dbraw/zinc/32/07/43/1123320743.db2.gz ZYWDFCYPPWODAK-PBHICJAKSA-N -1 1 331.799 3.696 20 0 EHADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001649036138 1123356888 /nfs/dbraw/zinc/35/68/88/1123356888.db2.gz ZMBCQBDBFHHCPH-AAXDQBDMSA-N -1 1 330.815 3.616 20 0 EHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](c2ccccc2)O1 ZINC000920465359 1123372438 /nfs/dbraw/zinc/37/24/38/1123372438.db2.gz WYWDMPCDBGKCQX-MLGOLLRUSA-N -1 1 331.799 3.648 20 0 EHADMM CC(C)C(=O)Nc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920437767 1123374110 /nfs/dbraw/zinc/37/41/10/1123374110.db2.gz ZVZHCJWCIAENGS-UHFFFAOYSA-N -1 1 346.814 3.570 20 0 EHADMM CCc1nc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cs1 ZINC000135096999 1123581983 /nfs/dbraw/zinc/58/19/83/1123581983.db2.gz IBPSVEBENAKOSZ-MRVPVSSYSA-N -1 1 340.832 3.564 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000615252565 1123767233 /nfs/dbraw/zinc/76/72/33/1123767233.db2.gz ZTZIUKYWNYSNBP-AWEZNQCLSA-N -1 1 347.333 3.716 20 0 EHADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000081937558 1123931429 /nfs/dbraw/zinc/93/14/29/1123931429.db2.gz CTTAANYNDIQVSI-UHFFFAOYSA-N -1 1 343.276 3.702 20 0 EHADMM Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC001212280602 1123972030 /nfs/dbraw/zinc/97/20/30/1123972030.db2.gz ILALPZGBOAOAQH-JKSUJKDBSA-N -1 1 327.405 3.576 20 0 EHADMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000499650680 1129157033 /nfs/dbraw/zinc/15/70/33/1129157033.db2.gz UQCQDROVBJOOLK-RDDDGLTNSA-N -1 1 326.220 3.599 20 0 EHADMM Cc1nc(C(C)C)sc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365821 1124499928 /nfs/dbraw/zinc/49/99/28/1124499928.db2.gz JVRANPOVPVXFSA-UHFFFAOYSA-N -1 1 332.454 3.701 20 0 EHADMM O=C([N-]c1nc(C2CC2)no1)c1csc(-c2cccc(Cl)c2)n1 ZINC000734880782 1131293404 /nfs/dbraw/zinc/29/34/04/1131293404.db2.gz SAIAHUTUYMODNW-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccc(Cl)cn1 ZINC000069674682 1125006564 /nfs/dbraw/zinc/00/65/64/1125006564.db2.gz OBNCDMSNWTUOFR-BQYQJAHWSA-N -1 1 329.208 3.801 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000619184987 1125306840 /nfs/dbraw/zinc/30/68/40/1125306840.db2.gz ZPFXCVSAUZQUCW-FXAWDEMLSA-N -1 1 339.435 3.967 20 0 EHADMM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000619582593 1125367812 /nfs/dbraw/zinc/36/78/12/1125367812.db2.gz PCLCDAMFYHMHAY-WDEREUQCSA-N -1 1 333.375 3.815 20 0 EHADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000619664492 1125378284 /nfs/dbraw/zinc/37/82/84/1125378284.db2.gz QYLFEUCULMCHCS-ZETCQYMHSA-N -1 1 342.675 3.971 20 0 EHADMM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000543166994 1129308217 /nfs/dbraw/zinc/30/82/17/1129308217.db2.gz XEENMMRYSQQDQC-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000625494383 1129904953 /nfs/dbraw/zinc/90/49/53/1129904953.db2.gz HHOWEYKBUCRMJD-UHFFFAOYSA-N -1 1 343.798 3.829 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000676050864 1130524613 /nfs/dbraw/zinc/52/46/13/1130524613.db2.gz BQPBNUUTXMYSPS-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000676352188 1130568741 /nfs/dbraw/zinc/56/87/41/1130568741.db2.gz QHFRQWOLRKWJSU-LURJTMIESA-N -1 1 346.699 3.631 20 0 EHADMM CCCCCCNC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358498 1130703553 /nfs/dbraw/zinc/70/35/53/1130703553.db2.gz COXPOAVKTPDANU-UHFFFAOYSA-N -1 1 348.226 3.552 20 0 EHADMM O=C([N-]c1nc(C2CC2)no1)c1cc(OCc2ccccc2)cs1 ZINC001273389809 1131610841 /nfs/dbraw/zinc/61/08/41/1131610841.db2.gz VNVVDCINHVAHNL-UHFFFAOYSA-N -1 1 341.392 3.840 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3ccc(OC4CC4)cc3)no2)[n-]1 ZINC001212689362 1131899452 /nfs/dbraw/zinc/89/94/52/1131899452.db2.gz ALZMGVWTZGZKNH-UHFFFAOYSA-N -1 1 336.273 3.687 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccc(OC4CC4)cc3)no2)n1 ZINC001212689362 1131899464 /nfs/dbraw/zinc/89/94/64/1131899464.db2.gz ALZMGVWTZGZKNH-UHFFFAOYSA-N -1 1 336.273 3.687 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3ccc4ncccc4c3)no2)[n-]1 ZINC001212689474 1131900426 /nfs/dbraw/zinc/90/04/26/1131900426.db2.gz 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1132165223 /nfs/dbraw/zinc/16/52/23/1132165223.db2.gz MXPMGJVDQFDQCN-UHFFFAOYSA-N -1 1 347.436 3.748 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2ccccc2C)c1 ZINC000744956373 1132171802 /nfs/dbraw/zinc/17/18/02/1132171802.db2.gz GKQXKJKKHUSUSO-UHFFFAOYSA-N -1 1 326.392 3.622 20 0 EHADMM Nc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC001173912089 1132172251 /nfs/dbraw/zinc/17/22/51/1132172251.db2.gz PTGACRUZJDAALB-UHFFFAOYSA-N -1 1 342.395 3.876 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccc2[nH]ccc2c1)c1ccccc1N ZINC001173941455 1132190534 /nfs/dbraw/zinc/19/05/34/1132190534.db2.gz FRZIVZHBUKQQOK-UHFFFAOYSA-N -1 1 340.408 3.529 20 0 EHADMM COc1ccc(Cn2cc(Nc3cc([O-])c(F)c(F)c3)c(C)n2)cc1 ZINC001174578658 1132406023 /nfs/dbraw/zinc/40/60/23/1132406023.db2.gz UPZLQZXKLHJOFR-UHFFFAOYSA-N -1 1 345.349 3.976 20 0 EHADMM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000190373202 1132453947 /nfs/dbraw/zinc/45/39/47/1132453947.db2.gz BWQYGDSFTHNRRV-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM CSc1nc(Nc2cccc(O[C@H]3CCCCO3)c2)cc(=O)[n-]1 ZINC001175184324 1132590981 /nfs/dbraw/zinc/59/09/81/1132590981.db2.gz UEFVQKTZMKZEAZ-HNNXBMFYSA-N -1 1 333.413 3.553 20 0 EHADMM CCOc1ncc(Nc2cc(Br)cc(Cl)c2[O-])cn1 ZINC001175562749 1132711859 /nfs/dbraw/zinc/71/18/59/1132711859.db2.gz MZEIPEITQATWBQ-UHFFFAOYSA-N -1 1 344.596 3.740 20 0 EHADMM Cc1cc(C(F)(F)F)nc2nn(-c3ccc(Cl)c([O-])c3)c(N)c21 ZINC001212588365 1132721164 /nfs/dbraw/zinc/72/11/64/1132721164.db2.gz MQCIZMUXYIVPTF-UHFFFAOYSA-N -1 1 342.708 3.689 20 0 EHADMM Nc1c(Br)cc2ccnc-2n1-c1ccc(Cl)c([O-])c1 ZINC001212590305 1132757948 /nfs/dbraw/zinc/75/79/48/1132757948.db2.gz FQRNVHRESWCNGS-UHFFFAOYSA-N -1 1 338.592 3.681 20 0 EHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(O)cc1C(F)(F)F ZINC001176338544 1132903207 /nfs/dbraw/zinc/90/32/07/1132903207.db2.gz FOLSTBFOBDAQMF-UHFFFAOYSA-N -1 1 337.253 3.967 20 0 EHADMM O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1ccc([O-])cc1F ZINC000773575250 1132920344 /nfs/dbraw/zinc/92/03/44/1132920344.db2.gz 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O=C(/C=C/c1ccc(Br)o1)Nc1c([O-])cccc1F ZINC000770861440 1133473609 /nfs/dbraw/zinc/47/36/09/1133473609.db2.gz IUPFOLPTOKPCJG-FNORWQNLSA-N -1 1 326.121 3.539 20 0 EHADMM CC(C)Cc1ccc(CC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001181818405 1133535311 /nfs/dbraw/zinc/53/53/11/1133535311.db2.gz KGIWCEHIPCWCRO-UHFFFAOYSA-N -1 1 349.434 3.958 20 0 EHADMM CC(C)Cc1cccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1 ZINC001185999183 1134163700 /nfs/dbraw/zinc/16/37/00/1134163700.db2.gz GJAHMRJAWJYNFZ-UHFFFAOYSA-N -1 1 329.425 3.562 20 0 EHADMM Nc1cc(Br)ncc1Nc1c(F)ccc([O-])c1Cl ZINC001250228952 1134168873 /nfs/dbraw/zinc/16/88/73/1134168873.db2.gz QLAWWTATCHVHPR-UHFFFAOYSA-N -1 1 332.560 3.668 20 0 EHADMM O=C(N[C@H]1CC[C@@H](OCc2ccccc2)CC1)c1ccc([O-])c(F)c1 ZINC001186243060 1134185951 /nfs/dbraw/zinc/18/59/51/1134185951.db2.gz WMUHXOOSQRDPCJ-CALCHBBNSA-N -1 1 343.398 3.789 20 0 EHADMM COc1ccc2cccc(CCNC(=O)c3ccc([O-])cc3F)c2c1 ZINC001186339860 1134204779 /nfs/dbraw/zinc/20/47/79/1134204779.db2.gz 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CC(C)(C)CC(C)(C)NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC000145547593 1134749610 /nfs/dbraw/zinc/74/96/10/1134749610.db2.gz NMCSURHSIRVMPT-UHFFFAOYSA-N -1 1 344.249 3.805 20 0 EHADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)c(C)c2F)c1 ZINC001191193222 1134824117 /nfs/dbraw/zinc/82/41/17/1134824117.db2.gz WFBQJDCNSFXIOS-UHFFFAOYSA-N -1 1 348.374 3.931 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c(O)c1 ZINC001191904412 1134941790 /nfs/dbraw/zinc/94/17/90/1134941790.db2.gz ZMIKPZMJIJJLED-UHFFFAOYSA-N -1 1 343.807 3.689 20 0 EHADMM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(F)c(C)c1C ZINC001192359719 1135006220 /nfs/dbraw/zinc/00/62/20/1135006220.db2.gz GEJOXGWZSDUZSL-UHFFFAOYSA-N -1 1 328.796 3.600 20 0 EHADMM COc1ccc(CC2(NC(=O)c3c(F)ccc([O-])c3F)CCC2)cc1 ZINC001192556188 1135029819 /nfs/dbraw/zinc/02/98/19/1135029819.db2.gz PHSXJPAMNHRLNX-UHFFFAOYSA-N -1 1 347.361 3.574 20 0 EHADMM O=C(Nc1ccccc1-c1ccncc1)c1c(F)ccc([O-])c1F ZINC001192539523 1135032217 /nfs/dbraw/zinc/03/22/17/1135032217.db2.gz 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/nfs/dbraw/zinc/23/85/64/1135238564.db2.gz LVNBQXDFFGFOTC-UHFFFAOYSA-N -1 1 335.212 3.608 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC001194634074 1135294648 /nfs/dbraw/zinc/29/46/48/1135294648.db2.gz MTIONCURVJBQOW-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cccc2C)c1C ZINC001194638066 1135294981 /nfs/dbraw/zinc/29/49/81/1135294981.db2.gz GMSZSXOGNJNFSY-UHFFFAOYSA-N -1 1 347.436 3.589 20 0 EHADMM O=C1CCC(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)CC1 ZINC001194794593 1135317593 /nfs/dbraw/zinc/31/75/93/1135317593.db2.gz QICUOYPRPFVJAN-UHFFFAOYSA-N -1 1 345.420 3.732 20 0 EHADMM O=C(Nc1cccc2c(Cl)ccnc12)c1cc([O-])cnc1Cl ZINC001195306867 1135411232 /nfs/dbraw/zinc/41/12/32/1135411232.db2.gz ZOJOJOOOIDRBAK-UHFFFAOYSA-N -1 1 334.162 3.895 20 0 EHADMM CSc1c(F)cccc1[N-]C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001131059086 1135571588 /nfs/dbraw/zinc/57/15/88/1135571588.db2.gz JISRBIJVRSTVIS-UHFFFAOYSA-N -1 1 334.401 3.647 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2[S-])c1 ZINC001196762934 1135603844 /nfs/dbraw/zinc/60/38/44/1135603844.db2.gz JAFMLTBFRWHSSP-UHFFFAOYSA-N -1 1 347.820 3.577 20 0 EHADMM COc1cc([N-]C(=O)c2cc(-c3ccc(C(C)C)cc3)on2)no1 ZINC001196743072 1135606459 /nfs/dbraw/zinc/60/64/59/1135606459.db2.gz VCQIGSVVWSJOKL-UHFFFAOYSA-N -1 1 327.340 3.714 20 0 EHADMM [O-]c1cnc(Cl)cc1NC(=S)NCc1ccccc1Cl ZINC001196801584 1135612033 /nfs/dbraw/zinc/61/20/33/1135612033.db2.gz PLANGDIBAWIUKC-UHFFFAOYSA-N -1 1 328.224 3.581 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[nH]nc1C1CC1 ZINC000808543270 1135692165 /nfs/dbraw/zinc/69/21/65/1135692165.db2.gz REZSOGCOUSCOQU-UHFFFAOYSA-N -1 1 346.239 3.703 20 0 EHADMM CC(C)Cc1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1 ZINC001198153303 1135779987 /nfs/dbraw/zinc/77/99/87/1135779987.db2.gz KQBAVPUEGVWJKG-UHFFFAOYSA-N -1 1 341.436 3.629 20 0 EHADMM CC(C)Cn1cnc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001198574429 1135832583 /nfs/dbraw/zinc/83/25/83/1135832583.db2.gz 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NDRZIFRCVBFNOY-SNVBAGLBSA-N -1 1 326.234 3.663 20 0 EHADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001137193392 1137865970 /nfs/dbraw/zinc/86/59/70/1137865970.db2.gz QFIOZCIYGFXIMP-VXGBXAGGSA-N -1 1 348.443 3.874 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(F)c2)c1 ZINC000029107662 1137878383 /nfs/dbraw/zinc/87/83/83/1137878383.db2.gz WKGSFZVQJTWNFA-UHFFFAOYSA-N -1 1 342.399 3.694 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3CCCC(F)(F)C3)[nH][n-]2)s1 ZINC000331948273 1137926573 /nfs/dbraw/zinc/92/65/73/1137926573.db2.gz OGEYCRDIGPCVGL-JTQLQIEISA-N -1 1 325.384 3.633 20 0 EHADMM CC(C)(C)C1CCC(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CC1 ZINC000332431762 1137943720 /nfs/dbraw/zinc/94/37/20/1137943720.db2.gz ZKEQGZSQTCZLKS-UHFFFAOYSA-N -1 1 349.475 3.724 20 0 EHADMM Clc1ccc(Oc2ccc(-c3noc(-c4cn[n-]n4)n3)cc2)cc1 ZINC001212800052 1137959388 /nfs/dbraw/zinc/95/93/88/1137959388.db2.gz LXCOATFGIODNRA-UHFFFAOYSA-N -1 1 339.742 3.967 20 0 EHADMM CCCCn1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)c(C)n1 ZINC000885678462 1138018266 /nfs/dbraw/zinc/01/82/66/1138018266.db2.gz PWPVKTCSUHUKIH-UHFFFAOYSA-N -1 1 325.771 3.742 20 0 EHADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1occc1-c1ccccc1 ZINC001649170826 1138020417 /nfs/dbraw/zinc/02/04/17/1138020417.db2.gz PDEDLNNVPNUBPE-CYBMUJFWSA-N -1 1 341.392 3.902 20 0 EHADMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000047119257 1138042067 /nfs/dbraw/zinc/04/20/67/1138042067.db2.gz CWNZAVLMPRTMEU-UHFFFAOYSA-N -1 1 346.452 3.780 20 0 EHADMM CC(C)C(=O)c1ccc([C@@H](C)C(=O)[N-]OCCC(F)(F)F)cc1 ZINC000282956020 1138066048 /nfs/dbraw/zinc/06/60/48/1138066048.db2.gz DJCSCODFCQBSDM-LLVKDONJSA-N -1 1 331.334 3.629 20 0 EHADMM CC(C)n1c(CNC(=O)C=Cc2ccc(Cl)cc2)n[n-]c1=S ZINC000067072018 1138079681 /nfs/dbraw/zinc/07/96/81/1138079681.db2.gz MVFGRCIQFDWVJK-VMPITWQZSA-N -1 1 336.848 3.505 20 0 EHADMM CC(C)n1c(CNC(=O)c2ccc(OC(C)(C)C)cc2)n[n-]c1=S ZINC000079542737 1138156923 /nfs/dbraw/zinc/15/69/23/1138156923.db2.gz CDEZURSEGIXFBT-UHFFFAOYSA-N -1 1 348.472 3.629 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2occc2Br)s1 ZINC000080939724 1138165129 /nfs/dbraw/zinc/16/51/29/1138165129.db2.gz BWMNXCFHTIVWIL-UHFFFAOYSA-N -1 1 344.234 3.879 20 0 EHADMM CC(C)c1cccc(NC(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000085551263 1138184480 /nfs/dbraw/zinc/18/44/80/1138184480.db2.gz OANJKKYVZRXIMC-UHFFFAOYSA-N -1 1 331.445 3.721 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)s1 ZINC000128802856 1138397871 /nfs/dbraw/zinc/39/78/71/1138397871.db2.gz JITLFKQVSXMRRK-UHFFFAOYSA-N -1 1 346.387 3.927 20 0 EHADMM Cc1nc(-c2ccc(NCC3CCC(F)(F)CC3)nc2)[n-]c(=O)c1C ZINC000336992990 1138443778 /nfs/dbraw/zinc/44/37/78/1138443778.db2.gz MGRWEKAKZDDOHC-UHFFFAOYSA-N -1 1 348.397 3.520 20 0 EHADMM c1ccc2c(c1)OCc1sc([N-]c3ncnc4ccncc43)nc1-2 ZINC000337384702 1138552267 /nfs/dbraw/zinc/55/22/67/1138552267.db2.gz GYJCUYZEBHFOPS-UHFFFAOYSA-N -1 1 333.376 3.784 20 0 EHADMM CO[C@H](C)c1nc(=NCCCO[C@H]2CCCc3ccccc32)s[n-]1 ZINC000337886431 1138691249 /nfs/dbraw/zinc/69/12/49/1138691249.db2.gz YGEJYWIDQXHXSK-CJNGLKHVSA-N -1 1 347.484 3.564 20 0 EHADMM CCC[C@H](NC(=O)c1oc2c(ccc3ccccc23)c1C)c1nn[n-]n1 ZINC000136712011 1138810082 /nfs/dbraw/zinc/81/00/82/1138810082.db2.gz XOPJQXSUDUDUMN-HNNXBMFYSA-N -1 1 349.394 3.679 20 0 EHADMM CC(C)(C)c1coc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)n1 ZINC000889559027 1139233352 /nfs/dbraw/zinc/23/33/52/1139233352.db2.gz GOZLGLCUMDYJOL-UHFFFAOYSA-N -1 1 344.308 3.659 20 0 EHADMM CCCCCC[C@@H](CC)C(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889791287 1139268508 /nfs/dbraw/zinc/26/85/08/1139268508.db2.gz FRAHUVMWGHAREN-HUUCEWRRSA-N -1 1 349.475 3.851 20 0 EHADMM Cc1cc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(C)s1 ZINC000176000801 1139533965 /nfs/dbraw/zinc/53/39/65/1139533965.db2.gz KSQNHAJIKKUNLF-JTQLQIEISA-N -1 1 347.484 3.545 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1scnc1C1CCCC1 ZINC000184324844 1140095864 /nfs/dbraw/zinc/09/58/64/1140095864.db2.gz HHPDIFDWOCMKRQ-UHFFFAOYSA-N -1 1 330.385 3.842 20 0 EHADMM CCOc1cc(C(=O)N2CCCC[C@@H](SC)C2)cc(Cl)c1[O-] ZINC000186885804 1140226685 /nfs/dbraw/zinc/22/66/85/1140226685.db2.gz OBQUXTXPDGRGDC-GFCCVEGCSA-N -1 1 343.876 3.802 20 0 EHADMM CCC[C@H]1CCc2nc(NC([O-])=NO[C@@H]3CCCCO3)sc2C1 ZINC000194547500 1140613548 /nfs/dbraw/zinc/61/35/48/1140613548.db2.gz YHPAMJDOQYUSQH-SMDDNHRTSA-N -1 1 339.461 3.628 20 0 EHADMM CCC[C@H]1CCc2nc(NC(=O)[N-]O[C@@H]3CCCCO3)sc2C1 ZINC000194547500 1140613551 /nfs/dbraw/zinc/61/35/51/1140613551.db2.gz YHPAMJDOQYUSQH-SMDDNHRTSA-N -1 1 339.461 3.628 20 0 EHADMM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000271223259 1141328253 /nfs/dbraw/zinc/32/82/53/1141328253.db2.gz DBSPEPWHFCLHLG-XMMPIXPASA-N -1 1 345.464 3.955 20 0 EHADMM CCOc1cc(C(=O)NCCOC2CCCCC2)cc(Cl)c1[O-] ZINC000273969554 1141455454 /nfs/dbraw/zinc/45/54/54/1141455454.db2.gz RAWYKGYJSVZHMV-UHFFFAOYSA-N -1 1 341.835 3.523 20 0 EHADMM CN(CCc1ccc(Cl)cc1)C(=O)c1c(F)ccc([O-])c1F ZINC000348531761 1141546382 /nfs/dbraw/zinc/54/63/82/1141546382.db2.gz NICVFQSSKXHEBZ-UHFFFAOYSA-N -1 1 325.742 3.639 20 0 EHADMM Cc1ccc(-c2nc(CNC(=O)c3c(F)ccc([O-])c3F)co2)cc1 ZINC000348846125 1141595668 /nfs/dbraw/zinc/59/56/68/1141595668.db2.gz BPJUBLGIKXKWKY-UHFFFAOYSA-N -1 1 344.317 3.564 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1 ZINC000071965828 203155537 /nfs/dbraw/zinc/15/55/37/203155537.db2.gz PFSNDOLXSFGECR-LBPRGKRZSA-N -1 1 329.425 3.877 20 0 EHADMM Cc1ccc(Cl)c(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737343868 598954484 /nfs/dbraw/zinc/95/44/84/598954484.db2.gz WNICBOQOZGODQL-UHFFFAOYSA-N -1 1 338.758 3.564 20 0 EHADMM CCc1ccc([C@@H](C)Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736687247 598954805 /nfs/dbraw/zinc/95/48/05/598954805.db2.gz RYWWTYNEKQRETJ-GFCCVEGCSA-N -1 1 345.410 3.545 20 0 EHADMM CCc1ccc([C@@H](C)Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736687247 598954807 /nfs/dbraw/zinc/95/48/07/598954807.db2.gz RYWWTYNEKQRETJ-GFCCVEGCSA-N -1 1 345.410 3.545 20 0 EHADMM Clc1cccc(Sc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737576094 598965929 /nfs/dbraw/zinc/96/59/29/598965929.db2.gz UNEFNUYJPCQKBX-UHFFFAOYSA-N -1 1 340.799 3.615 20 0 EHADMM COc1ccccc1[C@@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737141132 599255187 /nfs/dbraw/zinc/25/51/87/599255187.db2.gz HEEPXVBSUTWNTM-GFCCVEGCSA-N -1 1 346.394 3.597 20 0 EHADMM COc1ccccc1[C@@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000737141132 599255189 /nfs/dbraw/zinc/25/51/89/599255189.db2.gz HEEPXVBSUTWNTM-GFCCVEGCSA-N -1 1 346.394 3.597 20 0 EHADMM Clc1nsc(NCc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000737585002 598241996 /nfs/dbraw/zinc/24/19/96/598241996.db2.gz VUHKIORNUKHWNI-UHFFFAOYSA-N -1 1 342.815 3.742 20 0 EHADMM Clc1nsc(NCc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000737585002 598241998 /nfs/dbraw/zinc/24/19/98/598241998.db2.gz VUHKIORNUKHWNI-UHFFFAOYSA-N -1 1 342.815 3.742 20 0 EHADMM Cc1cccc2c1CC[C@@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822341034 599528883 /nfs/dbraw/zinc/52/88/83/599528883.db2.gz RMHHCPDNWOBLST-KRWDZBQOSA-N -1 1 342.406 3.823 20 0 EHADMM Cc1cccc2c1CC[C@@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822341034 599528884 /nfs/dbraw/zinc/52/88/84/599528884.db2.gz RMHHCPDNWOBLST-KRWDZBQOSA-N -1 1 342.406 3.823 20 0 EHADMM O=C([O-])[C@@H](NCc1c(Cl)ccc2cccnc21)c1ccccc1 ZINC000739500604 599760152 /nfs/dbraw/zinc/76/01/52/599760152.db2.gz QLWKRDFWFILABK-KRWDZBQOSA-N -1 1 326.783 3.804 20 0 EHADMM O=C([O-])[C@H](NCc1c(Cl)ccc2cccnc21)c1ccccc1 ZINC000739500605 599760470 /nfs/dbraw/zinc/76/04/70/599760470.db2.gz QLWKRDFWFILABK-QGZVFWFLSA-N -1 1 326.783 3.804 20 0 EHADMM O=C([O-])[C@H](NCc1cc2ccccc2nc1Cl)c1ccccc1 ZINC000739500533 599785086 /nfs/dbraw/zinc/78/50/86/599785086.db2.gz OGEHTSYZSZRSSW-MRXNPFEDSA-N -1 1 326.783 3.804 20 0 EHADMM Cc1nn(C)c(C)c1CN(C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000738911407 599938107 /nfs/dbraw/zinc/93/81/07/599938107.db2.gz ORRWYQUSBXLHLP-UHFFFAOYSA-N -1 1 343.452 3.582 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000164515444 600139862 /nfs/dbraw/zinc/13/98/62/600139862.db2.gz BPTRSBQFZZJQRU-OAHLLOKOSA-N -1 1 346.471 3.669 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N(C)C[C@@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738230810 600145048 /nfs/dbraw/zinc/14/50/48/600145048.db2.gz QVZABAGYIHHWQB-IUODEOHRSA-N -1 1 342.439 3.636 20 0 EHADMM O=C([O-])[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)c1ccccc1 ZINC000739511251 600379143 /nfs/dbraw/zinc/37/91/43/600379143.db2.gz FYJURBUKMUQXFJ-YUQCYMQKSA-N -1 1 337.404 3.893 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1Cl ZINC000238186758 600486236 /nfs/dbraw/zinc/48/62/36/600486236.db2.gz NYKVONSCASUCCZ-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1OCC1CC1)c1ccc(F)cc1 ZINC000739505585 600599713 /nfs/dbraw/zinc/59/97/13/600599713.db2.gz SRQPPMAGKHEJDP-SFHVURJKSA-N -1 1 329.371 3.530 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CCSC[C@@H]1c1ccccc1 ZINC000740080162 600630323 /nfs/dbraw/zinc/63/03/23/600630323.db2.gz XJFFTIPRWXSOJD-QGZVFWFLSA-N -1 1 331.412 3.814 20 0 EHADMM CCCCOc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000829421462 600739429 /nfs/dbraw/zinc/73/94/29/600739429.db2.gz CRVLVXMMHXTQQU-SFHVURJKSA-N -1 1 331.387 3.920 20 0 EHADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(Cc1ccccc1)C(C)C ZINC000832916479 601634794 /nfs/dbraw/zinc/63/47/94/601634794.db2.gz QBQHAYAXBWMMJZ-UHFFFAOYSA-N -1 1 340.423 3.542 20 0 EHADMM Cc1ccc(-c2n[nH]c(SCc3ccsc3C(=O)[O-])n2)cc1 ZINC000832907634 601807235 /nfs/dbraw/zinc/80/72/35/601807235.db2.gz DPOQSXVQBKHNKH-UHFFFAOYSA-N -1 1 331.422 3.832 20 0 EHADMM O=C([O-])[C@@H](N[C@H]1COc2c1cccc2Cl)c1cccc(Cl)c1 ZINC000833168679 601852269 /nfs/dbraw/zinc/85/22/69/601852269.db2.gz ZGCAZBPGRDEDFI-KBPBESRZSA-N -1 1 338.190 3.842 20 0 EHADMM O=C([O-])c1sccc1CN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000833097366 602239057 /nfs/dbraw/zinc/23/90/57/602239057.db2.gz LYTWLRKSMRPNSV-GFCCVEGCSA-N -1 1 335.450 3.745 20 0 EHADMM O=C([O-])c1csc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c1 ZINC000833341934 602284797 /nfs/dbraw/zinc/28/47/97/602284797.db2.gz AJAKKWBROMZZBX-UHFFFAOYSA-N -1 1 347.783 3.742 20 0 EHADMM O=C([O-])N1CCc2cccc(CNCc3ccc(OC(F)F)cc3)c21 ZINC000832086215 603847636 /nfs/dbraw/zinc/84/76/36/603847636.db2.gz CAAYVXHLUUBUNR-UHFFFAOYSA-N -1 1 348.349 3.618 20 0 EHADMM C[C@@H](Oc1ccc(CN(C)Cc2ccc(Cl)s2)cc1)C(=O)[O-] ZINC000833539497 604519397 /nfs/dbraw/zinc/51/93/97/604519397.db2.gz ZQISJQSYYZQYTH-LLVKDONJSA-N -1 1 339.844 3.885 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000405361755 604649230 /nfs/dbraw/zinc/64/92/30/604649230.db2.gz FFYPNZQDBMZRLX-LBPRGKRZSA-N -1 1 331.309 3.531 20 0 EHADMM Cc1ccc(-c2nc(CN(C[C@@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000832907113 604743462 /nfs/dbraw/zinc/74/34/62/604743462.db2.gz HZHVJNLRYBSMMW-CYBMUJFWSA-N -1 1 330.453 3.804 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)nc(Cl)c2)C1 ZINC000833419568 604952989 /nfs/dbraw/zinc/95/29/89/604952989.db2.gz GNNNOEVQFAZXHY-LLVKDONJSA-N -1 1 331.243 3.711 20 0 EHADMM O=C([O-])N[C@@H]1C[C@H](NC2(c3cccc(F)c3)CC2)c2ccccc21 ZINC000834157313 605810386 /nfs/dbraw/zinc/81/03/86/605810386.db2.gz GGAVPNAOHDJTHV-SJORKVTESA-N -1 1 326.371 3.858 20 0 EHADMM Cc1ccccc1[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000822350319 606458991 /nfs/dbraw/zinc/45/89/91/606458991.db2.gz CBVJELQFIWOQGG-NSHDSACASA-N -1 1 346.847 3.627 20 0 EHADMM Cc1ccccc1[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000822350319 606458992 /nfs/dbraw/zinc/45/89/92/606458992.db2.gz CBVJELQFIWOQGG-NSHDSACASA-N -1 1 346.847 3.627 20 0 EHADMM O=C(Nc1ccccc1-c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823367353 606489941 /nfs/dbraw/zinc/48/99/41/606489941.db2.gz KETIBZOEOBXWOV-UHFFFAOYSA-N -1 1 347.403 3.848 20 0 EHADMM O=C(Nc1ccccc1-c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823367353 606489943 /nfs/dbraw/zinc/48/99/43/606489943.db2.gz KETIBZOEOBXWOV-UHFFFAOYSA-N -1 1 347.403 3.848 20 0 EHADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2c1 ZINC000821160511 606540453 /nfs/dbraw/zinc/54/04/53/606540453.db2.gz MDMUXGWAESCPKG-UHFFFAOYSA-N -1 1 349.419 3.748 20 0 EHADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2c1 ZINC000821160511 606540455 /nfs/dbraw/zinc/54/04/55/606540455.db2.gz MDMUXGWAESCPKG-UHFFFAOYSA-N -1 1 349.419 3.748 20 0 EHADMM CC(C)CC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001574185051 950793677 /nfs/dbraw/zinc/79/36/77/950793677.db2.gz RXVHDHCNJSMNOH-ZDUSSCGKSA-N -1 1 335.477 3.509 20 0 EHADMM Cc1nc(C(F)(F)F)c(CN2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000563218484 953598617 /nfs/dbraw/zinc/59/86/17/953598617.db2.gz ZFCVOVIKAQHDBP-JTQLQIEISA-N -1 1 336.379 3.547 20 0 EHADMM C[C@@H]1CCN(Cc2ccc(Cl)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000565421959 953614336 /nfs/dbraw/zinc/61/43/36/953614336.db2.gz IWYRVKQCRRVHIN-KOLCDFICSA-N -1 1 346.652 3.645 20 0 EHADMM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000663035175 954408908 /nfs/dbraw/zinc/40/89/08/954408908.db2.gz WBGGTXPWXVPNAR-AWEZNQCLSA-N -1 1 329.400 3.516 20 0 EHADMM C[C@@](NCc1ccc(OC(F)F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001589131499 956196188 /nfs/dbraw/zinc/19/61/88/956196188.db2.gz QKDFGZVRRJNFGV-KRWDZBQOSA-N -1 1 339.313 3.517 20 0 EHADMM Cc1ccc(OC(F)F)c(CNCc2ccc(C(=O)[O-])s2)c1 ZINC000903680407 956860132 /nfs/dbraw/zinc/86/01/32/956860132.db2.gz ABGHKTNFVWOIDD-UHFFFAOYSA-N -1 1 327.352 3.646 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cccc(F)c2OC(F)F)C1 ZINC000923471691 957121618 /nfs/dbraw/zinc/12/16/18/957121618.db2.gz YKVISQJESXHJHX-MRXNPFEDSA-N -1 1 331.334 3.504 20 0 EHADMM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cccc(Br)c1 ZINC000043601307 957439092 /nfs/dbraw/zinc/43/90/92/957439092.db2.gz NVTRPWRVULNYMK-MRXNPFEDSA-N -1 1 346.224 3.633 20 0 EHADMM O=C([O-])c1ccnc(NC(=O)c2cc(Cl)c3ccccc3c2O)c1 ZINC001574820539 957908048 /nfs/dbraw/zinc/90/80/48/957908048.db2.gz RUNSXZIOQLZABO-UHFFFAOYSA-N -1 1 342.738 3.544 20 0 EHADMM O=C([O-])C[C@H]1CCCN1Cc1ccc(Cl)cc1Br ZINC000126818450 958604107 /nfs/dbraw/zinc/60/41/07/958604107.db2.gz UFMXJZBBGMXHDQ-LLVKDONJSA-N -1 1 332.625 3.542 20 0 EHADMM Cc1cc(CN[C@@H](C)c2ccc(Br)cc2)oc1C(=O)[O-] ZINC000235527835 960455621 /nfs/dbraw/zinc/45/56/21/960455621.db2.gz FTOUEPYAGKWSFM-JTQLQIEISA-N -1 1 338.201 3.900 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C/C=C\c2ccc(F)cc2F)C1 ZINC001262158827 960794754 /nfs/dbraw/zinc/79/47/54/960794754.db2.gz YUXPNIVADZCOPQ-VHYYUZIWSA-N -1 1 349.299 3.563 20 0 EHADMM CC[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000414675535 968341617 /nfs/dbraw/zinc/34/16/17/968341617.db2.gz GKGTYYVQNKPXGL-CYBMUJFWSA-N -1 1 338.201 3.662 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000652497159 968636149 /nfs/dbraw/zinc/63/61/49/968636149.db2.gz NGDSPGMZYQBMLT-UTUOFQBUSA-N -1 1 337.370 3.535 20 0 EHADMM C[C@@H]1CCc2nc(CN[C@@H](CCC(=O)[O-])c3ccccc3)sc2C1 ZINC000417605059 973964109 /nfs/dbraw/zinc/96/41/09/973964109.db2.gz XAAIDIXJGDPUOV-HIFRSBDPSA-N -1 1 344.480 3.964 20 0 EHADMM O=C([O-])CC[C@@H](NCc1ccc(Br)cn1)c1ccccc1 ZINC000417601152 973964359 /nfs/dbraw/zinc/96/43/59/973964359.db2.gz KUTMKSXCOOJDNV-OAHLLOKOSA-N -1 1 349.228 3.540 20 0 EHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c(Cl)c1 ZINC000426756294 974046120 /nfs/dbraw/zinc/04/61/20/974046120.db2.gz JDPLRJYEEYETLU-QGZVFWFLSA-N -1 1 333.815 3.881 20 0 EHADMM CCOc1cccc(F)c1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603875987 974378140 /nfs/dbraw/zinc/37/81/40/974378140.db2.gz QHNUKDYPVCXIPP-RHSMWYFYSA-N -1 1 329.371 3.627 20 0 EHADMM [O-]c1cccc(CNc2cccc(-c3nnnn3C3CC3)c2)c1Cl ZINC000339301539 1014189781 /nfs/dbraw/zinc/18/97/81/1014189781.db2.gz ANZMIVBRWRFFDG-UHFFFAOYSA-N -1 1 341.802 3.646 20 0 EHADMM Cc1ccc(OC2CCN(Cc3csc(C(=O)[O-])c3)CC2)cc1 ZINC000566358611 974607623 /nfs/dbraw/zinc/60/76/23/974607623.db2.gz KYQSOYKZEXRBDF-UHFFFAOYSA-N -1 1 331.437 3.798 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652435173 975530459 /nfs/dbraw/zinc/53/04/59/975530459.db2.gz RZAWAKWHJLVGCE-ZDUSSCGKSA-N -1 1 349.814 3.847 20 0 EHADMM Cc1oc(CN2CCC(c3cccc(F)c3F)CC2)cc1C(=O)[O-] ZINC000652449815 975536082 /nfs/dbraw/zinc/53/60/82/975536082.db2.gz PMINCKMFQZEFNA-UHFFFAOYSA-N -1 1 335.350 3.944 20 0 EHADMM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683172769 976077940 /nfs/dbraw/zinc/07/79/40/976077940.db2.gz HJWKISYSEZREKF-KRWDZBQOSA-N -1 1 335.350 3.669 20 0 EHADMM CC(C)c1[nH]c(CN2CC=C(c3ccc(O)cc3)CC2)cc1C(=O)[O-] ZINC001591912272 976340622 /nfs/dbraw/zinc/34/06/22/976340622.db2.gz IJPBTHXOQORKOV-UHFFFAOYSA-N -1 1 340.423 3.831 20 0 EHADMM C[C@@](Cc1ccccc1)(NCc1oncc1C(=O)[O-])c1ccccc1 ZINC001592892399 979791859 /nfs/dbraw/zinc/79/18/59/979791859.db2.gz XAKMEXYJTCGDAQ-FQEVSTJZSA-N -1 1 336.391 3.621 20 0 EHADMM CC[C@H](CN1CCc2c(C(=O)[O-])ccc(OC)c2C1)c1ccccc1 ZINC000871621007 979960462 /nfs/dbraw/zinc/96/04/62/979960462.db2.gz QTUDDAXKSFBONU-OAHLLOKOSA-N -1 1 339.435 3.945 20 0 EHADMM O=C([O-])[C@@H](CNCc1csc(C(F)(F)F)n1)CC1CCCC1 ZINC000900083380 980249880 /nfs/dbraw/zinc/24/98/80/980249880.db2.gz GIZGVLVIVROVCR-SNVBAGLBSA-N -1 1 336.379 3.533 20 0 EHADMM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cc(F)ccc1OC ZINC001595277440 980306230 /nfs/dbraw/zinc/30/62/30/980306230.db2.gz UKAMVVCMHYPROT-RDJZCZTQSA-N -1 1 335.350 3.840 20 0 EHADMM CC[C@@](NCc1ccnc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595305891 980452846 /nfs/dbraw/zinc/45/28/46/980452846.db2.gz YJDKEGXLIFOFNZ-INIZCTEOSA-N -1 1 339.222 3.868 20 0 EHADMM CCN(CC)c1ccc(CNCc2cc(C)c(C(=O)[O-])o2)cc1F ZINC000901940744 980641770 /nfs/dbraw/zinc/64/17/70/980641770.db2.gz YVEDBPYMTPKSTO-UHFFFAOYSA-N -1 1 334.391 3.561 20 0 EHADMM O=C([O-])CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C1CCOCC1 ZINC000901983317 980663197 /nfs/dbraw/zinc/66/31/97/980663197.db2.gz DMYLJEWAXUCSGK-UHFFFAOYSA-N -1 1 349.814 3.666 20 0 EHADMM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cnc(C2CCC2)s1 ZINC000901987721 980668910 /nfs/dbraw/zinc/66/89/10/980668910.db2.gz FXDBCUFJYBPKJB-INIZCTEOSA-N -1 1 328.437 3.595 20 0 EHADMM CO[C@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)[C@@H](C(=O)[O-])C1 ZINC000902031882 980703139 /nfs/dbraw/zinc/70/31/39/980703139.db2.gz IDEQSFQUPYFHOU-GOEBONIOSA-N -1 1 349.427 3.618 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccccc1OC(F)F ZINC000902107905 980738016 /nfs/dbraw/zinc/73/80/16/980738016.db2.gz VUYBNJHNTXTXRV-VIFPVBQESA-N -1 1 325.311 3.738 20 0 EHADMM CCc1oc(CN[C@H](CC)c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000902163533 980763434 /nfs/dbraw/zinc/76/34/34/980763434.db2.gz WQFIQRWSOGEUIF-OAHLLOKOSA-N -1 1 345.395 3.552 20 0 EHADMM O=C([O-])c1occc1CNCc1ccc(OC2CCCCC2)cc1 ZINC000902207247 980783571 /nfs/dbraw/zinc/78/35/71/980783571.db2.gz QBDUPFFBTQDFAT-UHFFFAOYSA-N -1 1 329.396 3.979 20 0 EHADMM COc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c(F)c1OC ZINC000904011691 981080293 /nfs/dbraw/zinc/08/02/93/981080293.db2.gz FZECTFHIZPLUKO-HNNXBMFYSA-N -1 1 347.386 3.539 20 0 EHADMM CCCC[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1O)C(=O)[O-] ZINC001595636344 981915819 /nfs/dbraw/zinc/91/58/19/981915819.db2.gz NOJDZVODIINOFV-CQSZACIVSA-N -1 1 335.787 3.572 20 0 EHADMM CCCCCOc1cc(C)ccc1CNCc1c[nH]c(C(=O)[O-])c1 ZINC001595722161 982339690 /nfs/dbraw/zinc/33/96/90/982339690.db2.gz WFDVDVAWOYDKRS-UHFFFAOYSA-N -1 1 330.428 3.880 20 0 EHADMM O=C([N-]NC(=O)c1cccc2cccnc21)c1cc2ccccc2s1 ZINC000064502149 1014835292 /nfs/dbraw/zinc/83/52/92/1014835292.db2.gz PGUREOKNCZSPJZ-UHFFFAOYSA-N -1 1 347.399 3.524 20 0 EHADMM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCC(CC(=O)[O-])CC1 ZINC001595013241 982945034 /nfs/dbraw/zinc/94/50/34/982945034.db2.gz CSSVQOBSIOUCNF-LSDHHAIUSA-N -1 1 346.471 3.714 20 0 EHADMM CCCOc1ncccc1CN[C@@H](CC)c1ccc(C(=O)[O-])cc1 ZINC001595975003 983206204 /nfs/dbraw/zinc/20/62/04/983206204.db2.gz OUNOWSISCGCSJL-KRWDZBQOSA-N -1 1 328.412 3.810 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1C1CCCC1 ZINC000045089521 1033583009 /nfs/dbraw/zinc/58/30/09/1033583009.db2.gz UKDPLNITEQBTGU-CQSZACIVSA-N -1 1 338.245 3.950 20 0 EHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)Cc2ccccc2O1 ZINC001594501993 985690166 /nfs/dbraw/zinc/69/01/66/985690166.db2.gz QYYFJEJBRQAOHK-SJKOYZFVSA-N -1 1 331.799 3.749 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC001589468443 986931016 /nfs/dbraw/zinc/93/10/16/986931016.db2.gz ILJPXLFHHFXERT-ABAIWWIYSA-N -1 1 338.329 3.652 20 0 EHADMM CC[C@H](NCc1ccc(O[C@H](C)C(=O)[O-])cc1)c1ccccc1F ZINC001597349682 987486779 /nfs/dbraw/zinc/48/67/79/987486779.db2.gz RFTMBMFTLWTJFY-ACJLOTCBSA-N -1 1 331.387 3.919 20 0 EHADMM CCc1[nH]c(CN[C@H](CC)c2cccc(OC)c2OC)cc1C(=O)[O-] ZINC001597392605 987627246 /nfs/dbraw/zinc/62/72/46/987627246.db2.gz UODARRPGAINCIE-OAHLLOKOSA-N -1 1 346.427 3.533 20 0 EHADMM CC(C)(C)[C@H](NCc1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001589720833 987885056 /nfs/dbraw/zinc/88/50/56/987885056.db2.gz TYDFKVLUPMEIES-MRXNPFEDSA-N -1 1 334.366 3.935 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cccc(Br)c1F ZINC000683249047 1015414164 /nfs/dbraw/zinc/41/41/64/1015414164.db2.gz OTZBYAPAANPYIH-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cc(Br)c(F)cc1F ZINC000683249302 1015421381 /nfs/dbraw/zinc/42/13/81/1015421381.db2.gz UEBCGGVFXUBASN-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)c1ccc(Cl)s1 ZINC000568684834 1032116768 /nfs/dbraw/zinc/11/67/68/1032116768.db2.gz VFEKAQOZBCYBBQ-UHFFFAOYSA-N -1 1 336.772 3.810 20 0 EHADMM CC(C)(C)c1ccccc1NC(=O)CN[C@@H](C(=O)[O-])C1CCCCC1 ZINC001590505183 990119539 /nfs/dbraw/zinc/11/95/39/990119539.db2.gz DLCJEAXMRQSEAW-GOSISDBHSA-N -1 1 346.471 3.546 20 0 EHADMM CC(C)(C)c1nnc(S[C@@H](C(=O)[O-])c2ccccc2Cl)[nH]1 ZINC001590574741 990215444 /nfs/dbraw/zinc/21/54/44/990215444.db2.gz KUPOKSUSXFNDHA-SNVBAGLBSA-N -1 1 325.821 3.674 20 0 EHADMM COc1cccc2c(CNCc3cc(C)c(C(=O)[O-])o3)cccc12 ZINC001599689245 991040098 /nfs/dbraw/zinc/04/00/98/991040098.db2.gz GNNFEDRMURZFPX-UHFFFAOYSA-N -1 1 325.364 3.738 20 0 EHADMM COc1ccccc1C[C@@H]1CCCN1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599709778 991350953 /nfs/dbraw/zinc/35/09/53/991350953.db2.gz CARQKELRBBNWKX-JSGCOSHPSA-N -1 1 346.452 3.618 20 0 EHADMM [O-]c1ccc(-c2nc(CCCOCCc3ccccc3)no2)c(F)c1 ZINC000274940994 1015664179 /nfs/dbraw/zinc/66/41/79/1015664179.db2.gz BLTBMUXTNSLPPB-UHFFFAOYSA-N -1 1 342.370 3.773 20 0 EHADMM CC(C)Cc1ncc(CN2CCc3cccc(C(=O)[O-])c3C2)s1 ZINC001591496592 992629296 /nfs/dbraw/zinc/62/92/96/992629296.db2.gz CEWPNNYRPHAOLW-UHFFFAOYSA-N -1 1 330.453 3.598 20 0 EHADMM CN(Cc1cscc1Br)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598536092 992840835 /nfs/dbraw/zinc/84/08/35/992840835.db2.gz LGFJLKHNQGSZPD-CMPLNLGQSA-N -1 1 346.290 3.833 20 0 EHADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccns1 ZINC001593194746 994140372 /nfs/dbraw/zinc/14/03/72/994140372.db2.gz MOMOSOSTTIPSAW-PRHODGIISA-N -1 1 330.331 3.638 20 0 EHADMM C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1cc(C(=O)[O-])co1 ZINC001593198337 994171808 /nfs/dbraw/zinc/17/18/08/994171808.db2.gz QJWCJIOWEIFCEN-CHWSQXEVSA-N -1 1 325.368 3.575 20 0 EHADMM C[C@@H](N[C@@H](c1ccccc1)C1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001593210773 994254517 /nfs/dbraw/zinc/25/45/17/994254517.db2.gz RTQPPVGOEPBGCH-WBMJQRKESA-N -1 1 346.452 3.660 20 0 EHADMM O=C(c1cncc([O-])c1)N(CCc1ccccc1F)C1CCCC1 ZINC000339895656 1015851227 /nfs/dbraw/zinc/85/12/27/1015851227.db2.gz YRVCZYORWQIODK-UHFFFAOYSA-N -1 1 328.387 3.554 20 0 EHADMM C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1OCC(=O)[O-] ZINC001593230160 994359465 /nfs/dbraw/zinc/35/94/65/994359465.db2.gz BNLWQQMODFVVTC-PXAZEXFGSA-N -1 1 329.371 3.627 20 0 EHADMM C[C@H](NCCOc1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001593272560 994612195 /nfs/dbraw/zinc/61/21/95/994612195.db2.gz SIWPLTQKWTYJCQ-LBPRGKRZSA-N -1 1 348.468 3.868 20 0 EHADMM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc2ccccc2n1 ZINC001593304990 994756820 /nfs/dbraw/zinc/75/68/20/994756820.db2.gz SQEIAWGJTWAHAW-CQSZACIVSA-N -1 1 336.391 3.549 20 0 EHADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC(C)(C)CC(C)(C)C1 ZINC001598715083 995396227 /nfs/dbraw/zinc/39/62/27/995396227.db2.gz ZZAGMBVXTUIVDY-INIZCTEOSA-N -1 1 347.455 3.747 20 0 EHADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)ccc1OC1CCOCC1 ZINC000154914271 1015941873 /nfs/dbraw/zinc/94/18/73/1015941873.db2.gz CKZGUZXANWTDMQ-UHFFFAOYSA-N -1 1 345.370 3.650 20 0 EHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CC[C@](C)(CCc2ccccc2)C1 ZINC001593726075 996286794 /nfs/dbraw/zinc/28/67/94/996286794.db2.gz YTXXVXKNKBVVHW-LIRRHRJNSA-N -1 1 328.412 3.779 20 0 EHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001593728067 996287951 /nfs/dbraw/zinc/28/79/51/996287951.db2.gz ADYRDWIDESBXQE-HNKHHVNMSA-N -1 1 326.396 3.844 20 0 EHADMM CCCc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000109507840 1016131058 /nfs/dbraw/zinc/13/10/58/1016131058.db2.gz ZPJUVORIQHKBFR-UHFFFAOYSA-N -1 1 327.178 3.556 20 0 EHADMM CCCCOc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cn1 ZINC001625838674 1016137216 /nfs/dbraw/zinc/13/72/16/1016137216.db2.gz MYQUXAVMXSIXML-UHFFFAOYSA-N -1 1 334.803 3.801 20 0 EHADMM C[C@@]1(Cc2ccccc2F)CCCN1Cc1nc(C(=O)[O-])cs1 ZINC001594043609 997679430 /nfs/dbraw/zinc/67/94/30/997679430.db2.gz NQZKZHAXEKPJTO-KRWDZBQOSA-N -1 1 334.416 3.578 20 0 EHADMM COc1ccc(C)cc1CN[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001599534033 997709684 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[O-]c1ccc(-c2noc(-c3cc4cc(Cl)ccn4n3)n2)cc1F ZINC000436954458 1021420933 /nfs/dbraw/zinc/42/09/33/1021420933.db2.gz HBVXUALILQGSNQ-UHFFFAOYSA-N -1 1 330.706 3.549 20 0 EHADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(Br)ccc1[O-] ZINC000436973703 1021427777 /nfs/dbraw/zinc/42/77/77/1021427777.db2.gz UNGRNHLSPHOUKJ-JTNHKYCSSA-N -1 1 338.245 3.948 20 0 EHADMM COCCCC[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000437000789 1021471629 /nfs/dbraw/zinc/47/16/29/1021471629.db2.gz OCHYNFKFMJSDFW-KRWDZBQOSA-N -1 1 331.387 3.819 20 0 EHADMM O=C(NC1(Cc2ccccc2)CC1)c1ccc(Br)c([O-])c1 ZINC000505930381 1021479521 /nfs/dbraw/zinc/47/95/21/1021479521.db2.gz NKLWSMVNLZXZTD-UHFFFAOYSA-N -1 1 346.224 3.660 20 0 EHADMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1c(F)ccc([O-])c1F ZINC000343798965 1033008601 /nfs/dbraw/zinc/00/86/01/1033008601.db2.gz ZGGKQCMZMOJDGB-SECBINFHSA-N -1 1 348.374 3.641 20 0 EHADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000519245086 1021957995 /nfs/dbraw/zinc/95/79/95/1021957995.db2.gz MQUDHSVFPQOEAH-UHFFFAOYSA-N -1 1 343.807 3.735 20 0 EHADMM Cc1ccc(Nc2nc(CN3CC[C@@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000517030276 1021958494 /nfs/dbraw/zinc/95/84/94/1021958494.db2.gz QKXDRZXYZRWLRY-CZUORRHYSA-N -1 1 345.468 3.738 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(F)cc1F ZINC000440278188 1022062747 /nfs/dbraw/zinc/06/27/47/1022062747.db2.gz DTNNGYYSLGLCEU-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2F)cc1C ZINC000520277696 1022098368 /nfs/dbraw/zinc/09/83/68/1022098368.db2.gz QHDLTQBERJOLCM-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc(C)c1F ZINC000425940858 1022329301 /nfs/dbraw/zinc/32/93/01/1022329301.db2.gz IBDZBWPITWMLOD-UHFFFAOYSA-N -1 1 347.411 3.762 20 0 EHADMM O=C(NCc1cc(Br)cs1)c1cc(Cl)ccc1[O-] ZINC000048607183 1022371532 /nfs/dbraw/zinc/37/15/32/1022371532.db2.gz OGZLFNMNAKWGPF-UHFFFAOYSA-N -1 1 346.633 3.800 20 0 EHADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1cccc(-c2ccccc2)c1 ZINC000506846922 1022477267 /nfs/dbraw/zinc/47/72/67/1022477267.db2.gz LTTVGKJTMPBIBC-UHFFFAOYSA-N -1 1 339.420 3.755 20 0 EHADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C ZINC000438226776 1022487776 /nfs/dbraw/zinc/48/77/76/1022487776.db2.gz AVGPIRDXGHUAJD-UHFFFAOYSA-N -1 1 349.843 3.888 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000476248882 1033069554 /nfs/dbraw/zinc/06/95/54/1033069554.db2.gz NCODVRZZDRUPTA-UHFFFAOYSA-N -1 1 346.383 3.954 20 0 EHADMM CC1(C)CCCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000438503472 1022716980 /nfs/dbraw/zinc/71/69/80/1022716980.db2.gz FOPFLPNZIXDEJD-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1sccc1Br)C(C)(C)C ZINC000517962277 1022885877 /nfs/dbraw/zinc/88/58/77/1022885877.db2.gz RHKPMVVTGIRZIX-VIFPVBQESA-N -1 1 340.308 3.614 20 0 EHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438804262 1023005801 /nfs/dbraw/zinc/00/58/01/1023005801.db2.gz HNWBYWGQCNKHFU-UHFFFAOYSA-N -1 1 345.420 3.529 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1 ZINC000438816902 1023016094 /nfs/dbraw/zinc/01/60/94/1023016094.db2.gz DCCGXWNMEOYSDD-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM O=C([O-])[C@@H](NCc1cccc(-c2ccncc2)c1)c1ccccc1F ZINC000426803692 1023057307 /nfs/dbraw/zinc/05/73/07/1023057307.db2.gz ONCOWCZIQNMZDF-IBGZPJMESA-N -1 1 336.366 3.803 20 0 EHADMM O=C([O-])C[C@H](NCc1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000426804946 1023058349 /nfs/dbraw/zinc/05/83/49/1023058349.db2.gz XLULNIHHHHOKAT-HNNXBMFYSA-N -1 1 325.742 3.924 20 0 EHADMM COc1ccc(C)cc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426809803 1023060448 /nfs/dbraw/zinc/06/04/48/1023060448.db2.gz WMGJVKJRMIWEKZ-INIZCTEOSA-N -1 1 333.815 3.963 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)cc(Cl)c1[O-] ZINC000458046121 1023190845 /nfs/dbraw/zinc/19/08/45/1023190845.db2.gz VFXCJGGNGHFWIZ-SWLSCSKDSA-N -1 1 349.789 3.869 20 0 EHADMM Cc1cnc(C(=O)N(Cc2ccccn2)Cc2ccccc2C)c([O-])c1 ZINC000427082552 1023203533 /nfs/dbraw/zinc/20/35/33/1023203533.db2.gz SGOKEKDVGSPYRQ-UHFFFAOYSA-N -1 1 347.418 3.642 20 0 EHADMM C[C@@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1cccc(Cl)c1 ZINC000439113210 1023275282 /nfs/dbraw/zinc/27/52/82/1023275282.db2.gz BVZFRYIKMTVRRB-SNVBAGLBSA-N -1 1 331.828 3.956 20 0 EHADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(-c2ccoc2)n1 ZINC000341765650 1023290086 /nfs/dbraw/zinc/29/00/86/1023290086.db2.gz VQENIXXKYIMRSZ-UHFFFAOYSA-N -1 1 346.315 3.526 20 0 EHADMM CCN(Cc1cccs1)C(=O)c1ccc(Br)c([O-])c1 ZINC000133021744 1023459794 /nfs/dbraw/zinc/45/97/94/1023459794.db2.gz GXNQVMMLKSGHBF-UHFFFAOYSA-N -1 1 340.242 3.879 20 0 EHADMM C[C@@]1(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1(F)F ZINC000657159045 1023820184 /nfs/dbraw/zinc/82/01/84/1023820184.db2.gz REBJSYULQUGPJH-LLVKDONJSA-N -1 1 344.210 3.707 20 0 EHADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000029433153 1024310047 /nfs/dbraw/zinc/31/00/47/1024310047.db2.gz DOXORIPSDMBMTL-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)o1 ZINC000277245277 1024313043 /nfs/dbraw/zinc/31/30/43/1024313043.db2.gz JMUAUXHGDLBJMP-CQSZACIVSA-N -1 1 338.201 3.656 20 0 EHADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(F)c3)ccc2O1 ZINC000520679047 1024407364 /nfs/dbraw/zinc/40/73/64/1024407364.db2.gz JSNKQMZVSLIIGC-VIFPVBQESA-N -1 1 341.791 3.603 20 0 EHADMM O=C(Nc1cc(Cl)ccc1O)c1cc(Br)ccc1[O-] ZINC000011639309 1024490771 /nfs/dbraw/zinc/49/07/71/1024490771.db2.gz YOXUXMWUVVDAPV-UHFFFAOYSA-N -1 1 342.576 3.766 20 0 EHADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccccc3C(C)(C)C)ccc21 ZINC000435189196 1024688512 /nfs/dbraw/zinc/68/85/12/1024688512.db2.gz SNHQXOSTSNXIHT-UHFFFAOYSA-N -1 1 343.452 3.672 20 0 EHADMM CC[C@H](C)C(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C2CC2)s1 ZINC000104281252 1024730430 /nfs/dbraw/zinc/73/04/30/1024730430.db2.gz ZZTKIMYZSCZLON-ZETCQYMHSA-N -1 1 337.474 3.692 20 0 EHADMM CC(C)=CCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435423151 1024911045 /nfs/dbraw/zinc/91/10/45/1024911045.db2.gz RZYLRWWOQBNPRU-UHFFFAOYSA-N -1 1 326.220 3.767 20 0 EHADMM COc1cc(C(=O)N(C)Cc2cccc3[nH]ccc32)cc(Cl)c1[O-] ZINC000427964663 1024912328 /nfs/dbraw/zinc/91/23/28/1024912328.db2.gz JNYDMHLYRFUZGC-UHFFFAOYSA-N -1 1 344.798 3.808 20 0 EHADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1F ZINC000124796735 1025042790 /nfs/dbraw/zinc/04/27/90/1025042790.db2.gz TWFUFZJKZNWNSH-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc3ncccc32)cc1C ZINC000435737956 1025116240 /nfs/dbraw/zinc/11/62/40/1025116240.db2.gz NHSMQUZVWRVZNG-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)sc1C ZINC000515268090 1025129791 /nfs/dbraw/zinc/12/97/91/1025129791.db2.gz ZAMUAMLFCAIYMZ-UHFFFAOYSA-N -1 1 343.857 3.754 20 0 EHADMM CC1(C)CN(Cc2ccc(F)cc2C(=O)[O-])CC[C@H]1C(F)(F)F ZINC000515306152 1025150822 /nfs/dbraw/zinc/15/08/22/1025150822.db2.gz WSEMUPCSPQVDLT-CYBMUJFWSA-N -1 1 333.325 3.934 20 0 EHADMM Cc1nc(=O)[n-]c(O[C@H](C)c2c(Cl)cncc2Cl)c1Cl ZINC001227111529 1025186177 /nfs/dbraw/zinc/18/61/77/1025186177.db2.gz MZFHBBJJYOLCQM-ZCFIWIBFSA-N -1 1 334.590 3.986 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C ZINC000444049584 1025202101 /nfs/dbraw/zinc/20/21/01/1025202101.db2.gz GCJJVBRNSNYOTP-UHFFFAOYSA-N -1 1 336.482 3.584 20 0 EHADMM O=C([O-])C[C@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000054300675 1025218894 /nfs/dbraw/zinc/21/88/94/1025218894.db2.gz WRFRVSYTWWYXPK-LLVKDONJSA-N -1 1 332.227 3.559 20 0 EHADMM O=C([O-])C[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000054300675 1025218898 /nfs/dbraw/zinc/21/88/98/1025218898.db2.gz WRFRVSYTWWYXPK-LLVKDONJSA-N -1 1 332.227 3.559 20 0 EHADMM Cc1cc(Br)c(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000530163883 1025246070 /nfs/dbraw/zinc/24/60/70/1025246070.db2.gz ACIIAXANAUARKY-LLVKDONJSA-N -1 1 346.652 3.850 20 0 EHADMM Cc1cc(Br)c(CN2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000530163883 1025246086 /nfs/dbraw/zinc/24/60/86/1025246086.db2.gz ACIIAXANAUARKY-LLVKDONJSA-N -1 1 346.652 3.850 20 0 EHADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000435971237 1025253868 /nfs/dbraw/zinc/25/38/68/1025253868.db2.gz LCQZJLPENJKPQR-UHFFFAOYSA-N -1 1 331.437 3.642 20 0 EHADMM CCc1nc(SC2CC(OCc3ccccc3)C2)[n-]c(=O)c1C ZINC000521273661 1025306883 /nfs/dbraw/zinc/30/68/83/1025306883.db2.gz ZINGTHARQAVOBC-UHFFFAOYSA-N -1 1 330.453 3.893 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc2c(c1)CCC2 ZINC000515635124 1025426956 /nfs/dbraw/zinc/42/69/56/1025426956.db2.gz GUSXBZRWHSJRPR-UHFFFAOYSA-N -1 1 325.792 3.769 20 0 EHADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000436186938 1025439514 /nfs/dbraw/zinc/43/95/14/1025439514.db2.gz OORHSWNUTNRNOG-UHFFFAOYSA-N -1 1 341.379 3.746 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)cc1 ZINC000451074994 1025499540 /nfs/dbraw/zinc/49/95/40/1025499540.db2.gz TUGJGVLTOBQLOP-UHFFFAOYSA-N -1 1 329.421 3.569 20 0 EHADMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2O1 ZINC000442843161 1025529776 /nfs/dbraw/zinc/52/97/76/1025529776.db2.gz JHLLSXHAGSWMOG-MRXNPFEDSA-N -1 1 337.372 3.524 20 0 EHADMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451212047 1025683466 /nfs/dbraw/zinc/68/34/66/1025683466.db2.gz NZLFGMCYZFXZLS-STQMWFEESA-N -1 1 343.445 3.524 20 0 EHADMM COc1cc(C(=O)NC[C@@H](SC)C(C)(C)C)cc(Cl)c1[O-] ZINC000443120414 1025735551 /nfs/dbraw/zinc/73/55/51/1025735551.db2.gz OJLDHTSQPDEVFI-GFCCVEGCSA-N -1 1 331.865 3.562 20 0 EHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1 ZINC000436478008 1025755406 /nfs/dbraw/zinc/75/54/06/1025755406.db2.gz KQMLSQFVFRKUNK-UHFFFAOYSA-N -1 1 336.844 3.850 20 0 EHADMM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc(F)ccc3[O-])C2)c1 ZINC000436514665 1025810973 /nfs/dbraw/zinc/81/09/73/1025810973.db2.gz OWIFUPHXCMSYAM-GOSISDBHSA-N -1 1 335.325 3.690 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2ccccc2Cl)c1 ZINC000436501854 1025817620 /nfs/dbraw/zinc/81/76/20/1025817620.db2.gz AXOASLNGERJGSO-NSHDSACASA-N -1 1 347.798 3.650 20 0 EHADMM CCCC(=O)Nc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436524429 1025827389 /nfs/dbraw/zinc/82/73/89/1025827389.db2.gz HSVISWFAMNWXKG-UHFFFAOYSA-N -1 1 346.814 3.714 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000436535911 1025843433 /nfs/dbraw/zinc/84/34/33/1025843433.db2.gz LNYOAAAIMHVQFC-ZDUSSCGKSA-N -1 1 333.790 3.890 20 0 EHADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H](c2ccsc2)O1 ZINC000760141675 1025886079 /nfs/dbraw/zinc/88/60/79/1025886079.db2.gz VLFYLSXOHVOLIT-HZMBPMFUSA-N -1 1 337.828 3.709 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c([O-])c1 ZINC000436578632 1025919386 /nfs/dbraw/zinc/91/93/86/1025919386.db2.gz RVIXRNJTTUNGLV-UHFFFAOYSA-N -1 1 344.386 3.609 20 0 EHADMM C[C@H](O)C[C@H](CNC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436582109 1025924059 /nfs/dbraw/zinc/92/40/59/1025924059.db2.gz CWMKXWMLEHZWRF-MAUKXSAKSA-N -1 1 349.430 3.830 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(-c2nc(C3CSC3)no2)c([O-])c1 ZINC000896729073 1025930500 /nfs/dbraw/zinc/93/05/00/1025930500.db2.gz JUKSELHLCXDEAK-UHFFFAOYSA-N -1 1 349.412 3.620 20 0 EHADMM COc1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)c([O-])c1 ZINC000436590454 1025930887 /nfs/dbraw/zinc/93/08/87/1025930887.db2.gz YZCLLGXMNBDSAL-UHFFFAOYSA-N -1 1 332.787 3.881 20 0 EHADMM C[C@H](OCCCNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000436656044 1025982862 /nfs/dbraw/zinc/98/28/62/1025982862.db2.gz FMWKJVXOESRHAP-ZDUSSCGKSA-N -1 1 333.815 3.943 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000443396458 1025994116 /nfs/dbraw/zinc/99/41/16/1025994116.db2.gz BBKMFLHLYSSXJX-UHFFFAOYSA-N -1 1 345.342 3.905 20 0 EHADMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1sccc1Cl ZINC000451471444 1026018336 /nfs/dbraw/zinc/01/83/36/1026018336.db2.gz YKAUBSAWWPOKMH-ZETCQYMHSA-N -1 1 335.800 3.801 20 0 EHADMM C[C@@H]1C[C@@H](CCNC(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000436695703 1026054239 /nfs/dbraw/zinc/05/42/39/1026054239.db2.gz FKSNCDCSNLCUPE-QDMKHBRRSA-N -1 1 327.424 3.869 20 0 EHADMM Cc1ccccc1CN(C)C(=O)c1cc(Br)ccc1[O-] ZINC000028813022 1026061489 /nfs/dbraw/zinc/06/14/89/1026061489.db2.gz LBKPYOPYQCARHB-UHFFFAOYSA-N -1 1 334.213 3.735 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)c1ccc([O-])cc1 ZINC000436702992 1026065903 /nfs/dbraw/zinc/06/59/03/1026065903.db2.gz KPTYURRAFFAMLP-IBGZPJMESA-N -1 1 349.361 3.620 20 0 EHADMM COc1ccc(F)cc1NC(=O)c1cc(Br)ccc1[O-] ZINC000436711814 1026077842 /nfs/dbraw/zinc/07/78/42/1026077842.db2.gz LAUPALUIYDEMJN-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000436735943 1026102309 /nfs/dbraw/zinc/10/23/09/1026102309.db2.gz FZWUYFNLMVCZHL-OSMZGAPFSA-N -1 1 338.245 3.805 20 0 EHADMM CC(C)(C)Oc1c(F)cc(NC(=O)c2ccc(O)cc2[O-])cc1F ZINC000436736846 1026102794 /nfs/dbraw/zinc/10/27/94/1026102794.db2.gz PGDMRPVOXOVKJU-UHFFFAOYSA-N -1 1 337.322 3.806 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])[C@H]2CCCC[C@H]12 ZINC000436737913 1026104843 /nfs/dbraw/zinc/10/48/43/1026104843.db2.gz KMEVTAUDXBWCPY-QKCSRTOESA-N -1 1 338.245 3.805 20 0 EHADMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436747590 1026134910 /nfs/dbraw/zinc/13/49/10/1026134910.db2.gz NXUNHEOTMBADPV-PIGZYNQJSA-N -1 1 349.814 3.560 20 0 EHADMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436747589 1026135947 /nfs/dbraw/zinc/13/59/47/1026135947.db2.gz NXUNHEOTMBADPV-GTNSWQLSSA-N -1 1 349.814 3.560 20 0 EHADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])C1(C)C ZINC000436751698 1026139809 /nfs/dbraw/zinc/13/98/09/1026139809.db2.gz NAUKBQINELUICU-UONOGXRCSA-N -1 1 345.361 3.687 20 0 EHADMM COC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436755279 1026147438 /nfs/dbraw/zinc/14/74/38/1026147438.db2.gz MQZSUEHLBJHYBX-UHFFFAOYSA-N -1 1 335.359 3.513 20 0 EHADMM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)cc1 ZINC000582413129 1026191688 /nfs/dbraw/zinc/19/16/88/1026191688.db2.gz YYTZMRRXNBDDBX-UHFFFAOYSA-N -1 1 341.436 3.635 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1cc2cc(F)ccc2o1 ZINC000451641905 1026197822 /nfs/dbraw/zinc/19/78/22/1026197822.db2.gz WGQOOHJJZBFYRJ-LLVKDONJSA-N -1 1 347.358 3.676 20 0 EHADMM O=C(NCc1cccc(Cl)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869176 1026248916 /nfs/dbraw/zinc/24/89/16/1026248916.db2.gz OJFAZRVIMZRGSS-UHFFFAOYSA-N -1 1 329.705 3.994 20 0 EHADMM Cc1nc(-c2ccc(N(Cc3ccoc3)C3CC3)nc2)[n-]c(=O)c1C ZINC000897113252 1026378150 /nfs/dbraw/zinc/37/81/50/1026378150.db2.gz ALTVVHZXOGCIOQ-UHFFFAOYSA-N -1 1 336.395 3.623 20 0 EHADMM CCc1nc([C@@H](C)[N-]c2nc(-c3cccc(OC)c3)no2)cs1 ZINC000301382678 1026784610 /nfs/dbraw/zinc/78/46/10/1026784610.db2.gz AVYMTEFBKUFWBD-SNVBAGLBSA-N -1 1 330.413 3.937 20 0 EHADMM Cc1nc(-c2ccc(N3CC[C@H](C)C[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301756880 1026927819 /nfs/dbraw/zinc/92/78/19/1026927819.db2.gz AGJMMVZTVANHTN-STQMWFEESA-N -1 1 326.444 3.733 20 0 EHADMM O=S(=O)([N-]Cc1ccsc1)c1cc(Cl)sc1Cl ZINC000075924630 1027209065 /nfs/dbraw/zinc/20/90/65/1027209065.db2.gz IPYBBWMHAKWSQO-UHFFFAOYSA-N -1 1 328.267 3.595 20 0 EHADMM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000664298438 1027413476 /nfs/dbraw/zinc/41/34/76/1027413476.db2.gz HWVPLKSKPKQFCA-KRWDZBQOSA-N -1 1 347.418 3.517 20 0 EHADMM CS[C@H]1CCC[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078267277 1027595227 /nfs/dbraw/zinc/59/52/27/1027595227.db2.gz HVKKIRISKGSUMF-CABCVRRESA-N -1 1 344.484 3.535 20 0 EHADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000134690339 1028139429 /nfs/dbraw/zinc/13/94/29/1028139429.db2.gz XXIPVQHFSNTTKE-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM O=S(=O)(CCc1ccccc1)[N-]c1ccccc1OC1CCCC1 ZINC000614840867 1028154133 /nfs/dbraw/zinc/15/41/33/1028154133.db2.gz AFUZIMQBGSMFSI-UHFFFAOYSA-N -1 1 345.464 3.992 20 0 EHADMM Cc1ccc(CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C(C)C)s1 ZINC000066355097 1028259371 /nfs/dbraw/zinc/25/93/71/1028259371.db2.gz HUSZEPHNVBDSIK-UHFFFAOYSA-N -1 1 341.436 3.756 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3c(F)cc(F)cc3F)[nH][n-]2)c1 ZINC000444804659 1028275215 /nfs/dbraw/zinc/27/52/15/1028275215.db2.gz RYOPFWSNFKZJFO-UHFFFAOYSA-N -1 1 349.287 3.616 20 0 EHADMM Oc1cccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1Br ZINC000459376908 1028344925 /nfs/dbraw/zinc/34/49/25/1028344925.db2.gz OFEFJZQALIWJLP-INIZCTEOSA-N -1 1 340.261 3.547 20 0 EHADMM C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000069163327 1028421899 /nfs/dbraw/zinc/42/18/99/1028421899.db2.gz XBPTVHNXPYDHIM-JTQLQIEISA-N -1 1 346.326 3.826 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCc3cc(F)ccc32)cc(Cl)c1[O-] ZINC000153653831 1028506046 /nfs/dbraw/zinc/50/60/46/1028506046.db2.gz OXEQKUOCHYKJKB-AWEZNQCLSA-N -1 1 335.762 3.611 20 0 EHADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC000504236564 1028516982 /nfs/dbraw/zinc/51/69/82/1028516982.db2.gz SZQOFOJDBSGJHN-UHFFFAOYSA-N -1 1 349.305 3.659 20 0 EHADMM CCOc1cc(-c2noc(-c3cncc(C)c3)n2)cc(Cl)c1[O-] ZINC000445410719 1028757703 /nfs/dbraw/zinc/75/77/03/1028757703.db2.gz GLFCRLHHBRZXFB-UHFFFAOYSA-N -1 1 331.759 3.865 20 0 EHADMM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000424078554 1028778802 /nfs/dbraw/zinc/77/88/02/1028778802.db2.gz DUYSNDOASFBVKA-UHFFFAOYSA-N -1 1 339.844 3.904 20 0 EHADMM COc1ccc(OC)c(Cc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445451773 1028784272 /nfs/dbraw/zinc/78/42/72/1028784272.db2.gz KDCHDKJUTZXUDL-UHFFFAOYSA-N -1 1 346.770 3.704 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc(-n4ccnc4)cc3)n2)c(F)c1 ZINC000445464212 1028809523 /nfs/dbraw/zinc/80/95/23/1028809523.db2.gz SMDPGQDWJZTNTR-FPYGCLRLSA-N -1 1 348.337 3.937 20 0 EHADMM CC(=O)Nc1ccc(F)c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445454438 1028821317 /nfs/dbraw/zinc/82/13/17/1028821317.db2.gz ZWRJHVYYOWCJNI-UHFFFAOYSA-N -1 1 347.733 3.860 20 0 EHADMM CCOc1ccccc1OCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445459601 1028828283 /nfs/dbraw/zinc/82/82/83/1028828283.db2.gz DNXZOGIDWGHYIZ-UHFFFAOYSA-N -1 1 330.315 3.559 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C/c3cnc4ccccc4n3)n2)cc1F ZINC000445479852 1028837064 /nfs/dbraw/zinc/83/70/64/1028837064.db2.gz KWQVLRGBIUXHJD-SOFGYWHQSA-N -1 1 334.310 3.695 20 0 EHADMM [O-]c1ccc(-c2noc(COC/C=C\c3ccccc3)n2)cc1F ZINC000445478175 1028837873 /nfs/dbraw/zinc/83/78/73/1028837873.db2.gz CPKLHTPRHAQSDB-DAXSKMNVSA-N -1 1 326.327 3.811 20 0 EHADMM [O-]c1ccc(-c2noc(CCCOc3ccccc3F)n2)cc1F ZINC000445484542 1028842665 /nfs/dbraw/zinc/84/26/65/1028842665.db2.gz ZVOIOMCWQITZBS-UHFFFAOYSA-N -1 1 332.306 3.732 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000424258889 1028915201 /nfs/dbraw/zinc/91/52/01/1028915201.db2.gz MGOGHKFCFHNNCH-INIZCTEOSA-N -1 1 347.846 3.745 20 0 EHADMM CC(C)COc1ccccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000583232384 1029346185 /nfs/dbraw/zinc/34/61/85/1029346185.db2.gz WDYVTOKYLFRRRW-UHFFFAOYSA-N -1 1 335.350 3.635 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2noc(-c3ccccc3)n2)n1 ZINC000446075065 1029391592 /nfs/dbraw/zinc/39/15/92/1029391592.db2.gz VPRFWLNUMVOLDG-JTQLQIEISA-N -1 1 328.397 3.648 20 0 EHADMM CCC[C@@H](NC(=O)c1sc2cc(C)c(C)cc2c1C)c1nn[n-]n1 ZINC000446238034 1029516019 /nfs/dbraw/zinc/51/60/19/1029516019.db2.gz RFMLFFGPGRUSKZ-CYBMUJFWSA-N -1 1 343.456 3.611 20 0 EHADMM CCC[C@H](NC(=O)c1sc2cc(C)c(C)cc2c1C)c1nn[n-]n1 ZINC000446238035 1029516224 /nfs/dbraw/zinc/51/62/24/1029516224.db2.gz RFMLFFGPGRUSKZ-ZDUSSCGKSA-N -1 1 343.456 3.611 20 0 EHADMM CCCOc1c(CNCc2ccc(C(=O)[O-])cc2)cccc1OCC ZINC000262717251 1029626188 /nfs/dbraw/zinc/62/61/88/1029626188.db2.gz SQTMPTBVQSNUJU-UHFFFAOYSA-N -1 1 343.423 3.862 20 0 EHADMM CCc1cccnc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000446785492 1029800610 /nfs/dbraw/zinc/80/06/10/1029800610.db2.gz MGDGVIVJWIVDFT-UHFFFAOYSA-N -1 1 345.251 3.893 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(CC(C)C)cc2)[n-]c1=O ZINC000193266084 1029824525 /nfs/dbraw/zinc/82/45/25/1029824525.db2.gz FERAOGJOAZVRKT-SDNWHVSQSA-N -1 1 340.423 3.706 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@H](CC(C)C)C(=O)OC(C)(C)C)n1 ZINC000600535715 1029949838 /nfs/dbraw/zinc/94/98/38/1029949838.db2.gz RJWHJZAKDVVABL-GFCCVEGCSA-N -1 1 326.462 3.593 20 0 EHADMM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000531873864 1029953472 /nfs/dbraw/zinc/95/34/72/1029953472.db2.gz PWEMMDGDXLUETR-ZDUSSCGKSA-N -1 1 343.427 3.849 20 0 EHADMM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1c(F)cccc1Cl ZINC000546630152 1030225019 /nfs/dbraw/zinc/22/50/19/1030225019.db2.gz DKPUOXSWDFDZDV-CQSZACIVSA-N -1 1 343.782 3.584 20 0 EHADMM CN(Cc1cccc(F)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000159029498 1030465281 /nfs/dbraw/zinc/46/52/81/1030465281.db2.gz IHHNITLUATVILK-UHFFFAOYSA-N -1 1 338.176 3.566 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447775837 1030475043 /nfs/dbraw/zinc/47/50/43/1030475043.db2.gz JXDBGLRTCFATRM-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1C(F)(F)F ZINC000447780059 1030477576 /nfs/dbraw/zinc/47/75/76/1030477576.db2.gz WFQIUZUJVZRTJV-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1C ZINC000447786711 1030489794 /nfs/dbraw/zinc/48/97/94/1030489794.db2.gz HKANNXVNJAARCD-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc2cc(F)ccc2o1 ZINC000532244774 1030510662 /nfs/dbraw/zinc/51/06/62/1030510662.db2.gz HRQFXAMSDHYGLI-UHFFFAOYSA-N -1 1 345.277 3.781 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cccc(F)c2)cccc1C(F)(F)F ZINC000122238737 1030557130 /nfs/dbraw/zinc/55/71/30/1030557130.db2.gz YOVIZKQWRWLUJE-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM O=C(c1ccc(O)cc1[O-])N(CCc1ccccc1)c1ccccc1 ZINC000194437959 1030590596 /nfs/dbraw/zinc/59/05/96/1030590596.db2.gz FNTYRZNZZODWOT-UHFFFAOYSA-N -1 1 333.387 3.987 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)nc1 ZINC000194569630 1030894768 /nfs/dbraw/zinc/89/47/68/1030894768.db2.gz HFQJEHLXZWLIGF-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM CS[C@H]1CCCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000123127745 1030930244 /nfs/dbraw/zinc/93/02/44/1030930244.db2.gz KPVMQGUBTGIEQB-NSHDSACASA-N -1 1 344.274 3.512 20 0 EHADMM CCc1[n-][nH]c(=NC(=O)c2sccc2C(C)C)c1Br ZINC000448316610 1030937677 /nfs/dbraw/zinc/93/76/77/1030937677.db2.gz XQCZARGCBRVWKO-UHFFFAOYSA-N -1 1 342.262 3.594 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3cc(C)c(F)cc3F)[nH][n-]2)s1 ZINC000483224392 1031036448 /nfs/dbraw/zinc/03/64/48/1031036448.db2.gz YDDBRMNKXIOSBP-UHFFFAOYSA-N -1 1 333.363 3.707 20 0 EHADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C ZINC000151415874 1031429394 /nfs/dbraw/zinc/42/93/94/1031429394.db2.gz NLVBBPZCPIFUAA-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM COc1ccc(C(C)(C)c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457949 1031896304 /nfs/dbraw/zinc/89/63/04/1031896304.db2.gz VFTOZJCXXONPJJ-UHFFFAOYSA-N -1 1 328.343 3.916 20 0 EHADMM O=C(CCc1nc(-c2ccc([O-])cc2F)no1)c1ccc(F)c(F)c1 ZINC000445457954 1031897483 /nfs/dbraw/zinc/89/74/83/1031897483.db2.gz PLCMZKXPKLNMIA-UHFFFAOYSA-N -1 1 348.280 3.675 20 0 EHADMM CCc1cc2c(CNc3ccc(F)c(F)c3)cc(=O)oc2cc1[O-] ZINC000052874745 1031912551 /nfs/dbraw/zinc/91/25/51/1031912551.db2.gz XQORNSTVRORSAI-UHFFFAOYSA-N -1 1 331.318 3.951 20 0 EHADMM COc1cccc2[nH]cc(CC(=O)Nc3ccc([O-])c(Cl)c3)c21 ZINC000181146361 1031989138 /nfs/dbraw/zinc/98/91/38/1031989138.db2.gz CIVAYIYGOMYDEG-UHFFFAOYSA-N -1 1 330.771 3.717 20 0 EHADMM CCCCc1ccc(C(=O)CSc2nc(CC)cc(=O)[n-]2)cc1 ZINC000195064587 1031998735 /nfs/dbraw/zinc/99/87/35/1031998735.db2.gz HEGYADSWXFSIKN-UHFFFAOYSA-N -1 1 330.453 3.650 20 0 EHADMM Cc1nc(C(F)(F)F)ccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445463663 1032034523 /nfs/dbraw/zinc/03/45/23/1032034523.db2.gz PRGFYPDNMWIRLY-UHFFFAOYSA-N -1 1 339.248 3.971 20 0 EHADMM CC(=O)c1cc(F)c([N-]C(=O)c2sc(Cl)nc2C)c(F)c1 ZINC000760189905 1032043572 /nfs/dbraw/zinc/04/35/72/1032043572.db2.gz PMRZFILFNRTYNH-UHFFFAOYSA-N -1 1 330.743 3.838 20 0 EHADMM O=C(CCCOc1cccc(F)c1)Nc1cc(F)cc(F)c1[O-] ZINC001142542988 1033412884 /nfs/dbraw/zinc/41/28/84/1033412884.db2.gz YIFTXKVJRXBMAP-UHFFFAOYSA-N -1 1 325.286 3.607 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H](C)Cc3ccsc3)nc2)[n-]c(=O)c1C ZINC000608080326 1033463147 /nfs/dbraw/zinc/46/31/47/1033463147.db2.gz CTMNXSFJCHHNHE-NSHDSACASA-N -1 1 340.452 3.966 20 0 EHADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000594769504 1033515883 /nfs/dbraw/zinc/51/58/83/1033515883.db2.gz OYPAPUDSOJHGBX-ZKCHVHJHSA-N -1 1 328.286 3.912 20 0 EHADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1c([O-])cccc1F ZINC000608365373 1033639404 /nfs/dbraw/zinc/63/94/04/1033639404.db2.gz HQSWZGPTVUKWND-MRVPVSSYSA-N -1 1 327.714 3.730 20 0 EHADMM O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1c([O-])cccc1F ZINC000608366191 1033639558 /nfs/dbraw/zinc/63/95/58/1033639558.db2.gz FVBBQPODKNQTJZ-UHFFFAOYSA-N -1 1 330.290 3.507 20 0 EHADMM CC(C)CC(=O)Nc1ccc(C(=O)Nc2c([O-])cccc2F)cc1F ZINC000608367120 1033640925 /nfs/dbraw/zinc/64/09/25/1033640925.db2.gz IQJAPGULKIBUKJ-UHFFFAOYSA-N -1 1 348.349 3.907 20 0 EHADMM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1coc2c1C(=O)CCC2 ZINC000450093444 1033726906 /nfs/dbraw/zinc/72/69/06/1033726906.db2.gz YRSVDXBNWAHEFL-UHFFFAOYSA-N -1 1 339.269 3.775 20 0 EHADMM Cc1cc(C([O-])=C[S@@](=O)Cc2cccc3ccccc32)c(C)n1C ZINC000603545336 1033755335 /nfs/dbraw/zinc/75/53/35/1033755335.db2.gz SXGMPJJGDICNFK-DEOSSOPVSA-N -1 1 339.460 3.927 20 0 EHADMM CCOC(=O)c1csc(=N[C@H]2CC[C@H](OCCC(C)C)CC2)[n-]1 ZINC000599149487 1033762275 /nfs/dbraw/zinc/76/22/75/1033762275.db2.gz NJRGFQHSFRHDRA-HDJSIYSDSA-N -1 1 340.489 3.528 20 0 EHADMM CCc1nc(SCc2nc(-c3ccccc3F)no2)[n-]c(=O)c1C ZINC000575196549 1033886702 /nfs/dbraw/zinc/88/67/02/1033886702.db2.gz PLDXKCNRPFTNQJ-UHFFFAOYSA-N -1 1 346.387 3.534 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(C)c1O ZINC000055616243 1033971983 /nfs/dbraw/zinc/97/19/83/1033971983.db2.gz MVYJGKOJNXDGAB-UHFFFAOYSA-N -1 1 325.817 3.772 20 0 EHADMM COCC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCOCC1 ZINC000529538889 1034143061 /nfs/dbraw/zinc/14/30/61/1034143061.db2.gz MSTCBDSKPKGTNG-UHFFFAOYSA-N -1 1 349.814 3.581 20 0 EHADMM O=C(CN1CCCCCC1=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529543696 1034150374 /nfs/dbraw/zinc/15/03/74/1034150374.db2.gz MSYOSTLLEWCZCI-UHFFFAOYSA-N -1 1 346.814 3.540 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)c(C)c1C ZINC000534205187 1034233183 /nfs/dbraw/zinc/23/31/83/1034233183.db2.gz 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/nfs/dbraw/zinc/33/86/77/1038338677.db2.gz AXUOCIARFZFSQX-UHFFFAOYSA-N -1 1 349.795 3.675 20 0 EHADMM Cc1ccc(C2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cn1 ZINC000378621272 1038771747 /nfs/dbraw/zinc/77/17/47/1038771747.db2.gz HNOUGABFQAXLTP-UHFFFAOYSA-N -1 1 330.815 3.769 20 0 EHADMM Cc1csc(-c2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)n1 ZINC000195410909 1038963542 /nfs/dbraw/zinc/96/35/42/1038963542.db2.gz HLVKVMAQCUOAGZ-UHFFFAOYSA-N -1 1 326.377 3.782 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(OC)c1 ZINC000488257020 1039013036 /nfs/dbraw/zinc/01/30/36/1039013036.db2.gz BKJCODDNIYWZKH-UHFFFAOYSA-N -1 1 349.452 3.846 20 0 EHADMM C[C@@H](NCc1csc(C(=O)[O-])c1)c1cc(Cl)cc2c1OCC2 ZINC000905772567 1039100579 /nfs/dbraw/zinc/10/05/79/1039100579.db2.gz YMEZIFVJTOUHQM-SECBINFHSA-N -1 1 337.828 3.885 20 0 EHADMM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1cccc(F)c1 ZINC000028259946 1039401374 /nfs/dbraw/zinc/40/13/74/1039401374.db2.gz KRLMYGSQFZEXRY-UHFFFAOYSA-N -1 1 335.400 3.948 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)Cc3ccc(Cl)cc3)[nH][n-]2)s1 ZINC000500854593 1039577652 /nfs/dbraw/zinc/57/76/52/1039577652.db2.gz ATXJFBNFCJTNSA-UHFFFAOYSA-N -1 1 331.828 3.703 20 0 EHADMM CC(C)[C@H]1N(C(=O)c2ccc(Br)c([O-])c2)CC1(C)C ZINC000480494777 1039600685 /nfs/dbraw/zinc/60/06/85/1039600685.db2.gz UARADMMVLSAPIK-CYBMUJFWSA-N -1 1 326.234 3.661 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000109042465 1039606136 /nfs/dbraw/zinc/60/61/36/1039606136.db2.gz QZJDHDIXMLEDIF-OAHLLOKOSA-N -1 1 347.212 3.527 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 ZINC000668559590 1039627259 /nfs/dbraw/zinc/62/72/59/1039627259.db2.gz KISHXMAODGSGDQ-ZDUSSCGKSA-N -1 1 340.448 3.743 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000912039142 1039641493 /nfs/dbraw/zinc/64/14/93/1039641493.db2.gz CKYBWSWCNHAXCF-INIZCTEOSA-N -1 1 328.799 3.808 20 0 EHADMM CC(C)Sc1cccc(Cl)c1/C=C/c1cc(=O)n2[n-]cnc2n1 ZINC000486147294 1039920680 /nfs/dbraw/zinc/92/06/80/1039920680.db2.gz 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ZINC000486413507 1040114868 /nfs/dbraw/zinc/11/48/68/1040114868.db2.gz BKBHSBCJZZRWKQ-UWVGGRQHSA-N -1 1 349.228 3.573 20 0 EHADMM COc1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)c([O-])c1 ZINC000390267086 1040200428 /nfs/dbraw/zinc/20/04/28/1040200428.db2.gz ZTXMWCNSOFLUMQ-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1c(F)ccc([O-])c1F ZINC000553578346 1040204270 /nfs/dbraw/zinc/20/42/70/1040204270.db2.gz RNERSCJRDDCBMF-UHFFFAOYSA-N -1 1 347.695 3.846 20 0 EHADMM CSc1ccncc1[N-]C(=O)c1oc(COC(C)(C)C)nc1C ZINC000651456959 1040346291 /nfs/dbraw/zinc/34/62/91/1040346291.db2.gz NNECLDDAFSRFJV-UHFFFAOYSA-N -1 1 335.429 3.667 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC000479557673 1040377979 /nfs/dbraw/zinc/37/79/79/1040377979.db2.gz UVYYHNOLCDLQMC-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM COc1ccccc1C[C@H](C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909976495 1041087122 /nfs/dbraw/zinc/08/71/22/1041087122.db2.gz KFFQCHHTIPUJBD-NSHDSACASA-N -1 1 335.350 3.886 20 0 EHADMM CC(C)(C)CCC1(O)CC(C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909987380 1041100664 /nfs/dbraw/zinc/10/06/64/1041100664.db2.gz SFFPCDSIBCTMKI-UHFFFAOYSA-N -1 1 327.371 3.576 20 0 EHADMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(Cl)c(Cl)n1 ZINC000187754284 1041162945 /nfs/dbraw/zinc/16/29/45/1041162945.db2.gz IZFBVHFNBWXZLM-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000162732129 1041287717 /nfs/dbraw/zinc/28/77/17/1041287717.db2.gz VEJZXAFVUGXADV-WBMJQRKESA-N -1 1 341.432 3.849 20 0 EHADMM Cc1ccc(C(=O)Nc2ccncc2[O-])cc1NC(=O)c1ccccc1 ZINC000109889066 1041503572 /nfs/dbraw/zinc/50/35/72/1041503572.db2.gz FACGCNGNBLSXNC-UHFFFAOYSA-N -1 1 347.374 3.600 20 0 EHADMM CCOc1cc(C(=O)NC(C)(C)C(F)(F)F)cc(Cl)c1[O-] ZINC000616205087 1041873571 /nfs/dbraw/zinc/87/35/71/1041873571.db2.gz GMYDSDREJRVWCM-UHFFFAOYSA-N -1 1 325.714 3.515 20 0 EHADMM CC1(C)CN(Cc2nc(=O)c3sccc3[n-]2)CCc2ccccc21 ZINC000661211588 1042010389 /nfs/dbraw/zinc/01/03/89/1042010389.db2.gz KMLONEANUKZSBK-UHFFFAOYSA-N -1 1 339.464 3.733 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1Cc2ccccc2[C@H]1C ZINC000408180719 1042159701 /nfs/dbraw/zinc/15/97/01/1042159701.db2.gz VEPNSVVMEJRAPE-GFCCVEGCSA-N -1 1 325.412 3.505 20 0 EHADMM CC(C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000048660333 1042400399 /nfs/dbraw/zinc/40/03/99/1042400399.db2.gz VRYHGESYZTWOEU-UHFFFAOYSA-N -1 1 330.664 3.971 20 0 EHADMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000049239546 1042452407 /nfs/dbraw/zinc/45/24/07/1042452407.db2.gz CMZRWHVSQPVTOO-RQJHMYQMSA-N -1 1 328.648 3.581 20 0 EHADMM Cn1ncc2c1CC(C)(C)CN(C(=O)c1cc3ccccc3cc1[O-])C2 ZINC000663205619 1042557637 /nfs/dbraw/zinc/55/76/37/1042557637.db2.gz CEBGKDQQRAJOCS-UHFFFAOYSA-N -1 1 349.434 3.504 20 0 EHADMM CCc1nc(SCc2ncsc2Br)[n-]c(=O)c1C ZINC000663249063 1042591042 /nfs/dbraw/zinc/59/10/42/1042591042.db2.gz UBJDZBYFNCGQDO-UHFFFAOYSA-N -1 1 346.275 3.564 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1F ZINC000186749550 1042702774 /nfs/dbraw/zinc/70/27/74/1042702774.db2.gz CRTYCXNYSMAGKV-UHFFFAOYSA-N -1 1 331.368 3.788 20 0 EHADMM CCc1nc2ccccc2n1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667738 1042994011 /nfs/dbraw/zinc/99/40/11/1042994011.db2.gz CRJRWBNUXACEIP-UHFFFAOYSA-N -1 1 329.787 3.596 20 0 EHADMM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccc(C)cc1 ZINC000111668633 1042994837 /nfs/dbraw/zinc/99/48/37/1042994837.db2.gz BDJAAQMOLWYSQI-INIZCTEOSA-N -1 1 346.814 3.560 20 0 EHADMM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1ccccc1C(F)(F)F ZINC000324746811 1043328221 /nfs/dbraw/zinc/32/82/21/1043328221.db2.gz QCJJQLXWORWROD-MRXNPFEDSA-N -1 1 335.325 3.717 20 0 EHADMM COCc1ncc(C(=O)[N-]c2cc(Cl)ccc2SC)s1 ZINC000351524672 1043693627 /nfs/dbraw/zinc/69/36/27/1043693627.db2.gz NVPARGSIMFLDNA-UHFFFAOYSA-N -1 1 328.846 3.917 20 0 EHADMM CCC(C)(C)c1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000512254082 1044407403 /nfs/dbraw/zinc/40/74/03/1044407403.db2.gz PUTDGEUBNOPGOC-UHFFFAOYSA-N -1 1 326.322 3.763 20 0 EHADMM COC(=O)c1c[n-]c(SCCCOc2ccc3ccccc3c2)n1 ZINC000432675446 1044742534 /nfs/dbraw/zinc/74/25/34/1044742534.db2.gz LBKJTYIKRORUJR-UHFFFAOYSA-N -1 1 342.420 3.911 20 0 EHADMM CCOc1cc(C(=O)Nc2ccnn2C(C)(C)C)cc(Cl)c1[O-] ZINC000620620093 1125612722 /nfs/dbraw/zinc/61/27/22/1125612722.db2.gz HPOPBNBQPVEBSJ-UHFFFAOYSA-N -1 1 337.807 3.648 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1Cc2cccc(F)c2C1 ZINC000622693785 1126743604 /nfs/dbraw/zinc/74/36/04/1126743604.db2.gz WILGROYKOMMQQF-UHFFFAOYSA-N -1 1 325.261 3.706 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000171862404 1126767522 /nfs/dbraw/zinc/76/75/22/1126767522.db2.gz YVTRNTXUMNJQQT-UHFFFAOYSA-N -1 1 336.313 3.611 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c1 ZINC000171951197 1126771307 /nfs/dbraw/zinc/77/13/07/1126771307.db2.gz NXCXMZORORVSAA-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC(Cc2ccsc2)C1 ZINC000623041858 1126863020 /nfs/dbraw/zinc/86/30/20/1126863020.db2.gz BDWLTFZYUSXNQR-UHFFFAOYSA-N -1 1 341.354 3.787 20 0 EHADMM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000623207630 1126895990 /nfs/dbraw/zinc/89/59/90/1126895990.db2.gz YQAQUOCXHUINBQ-OIBJUYFYSA-N -1 1 340.210 3.727 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)CCc3ccccc3F)[nH][n-]2)s1 ZINC000623493289 1126967133 /nfs/dbraw/zinc/96/71/33/1126967133.db2.gz WANODRNCCRYXTI-UHFFFAOYSA-N -1 1 329.400 3.579 20 0 EHADMM COc1cc(C(=O)[N-]c2nc(-c3ccc(Cl)s3)cs2)on1 ZINC000183321720 1127371904 /nfs/dbraw/zinc/37/19/04/1127371904.db2.gz ALXPCLOHGIWNQK-UHFFFAOYSA-N -1 1 341.801 3.774 20 0 EHADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000023371251 1127695811 /nfs/dbraw/zinc/69/58/11/1127695811.db2.gz NORREERWJIMJGC-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(F)c(C(C)=O)c1 ZINC000671662577 1127768528 /nfs/dbraw/zinc/76/85/28/1127768528.db2.gz IWABOKPKKVOSLN-UHFFFAOYSA-N -1 1 349.427 3.954 20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000032599775 1127854150 /nfs/dbraw/zinc/85/41/50/1127854150.db2.gz SANCBYJNGBCLSB-UHFFFAOYSA-N -1 1 327.352 3.554 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1F ZINC000057119345 1128036855 /nfs/dbraw/zinc/03/68/55/1128036855.db2.gz PFWQLFKSRVIPNN-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CCOc1cc(-c2noc([C@H](OCC)C3CC3)n2)cc(Cl)c1[O-] ZINC000624574552 1128397047 /nfs/dbraw/zinc/39/70/47/1128397047.db2.gz QRUZJICXCYZCCC-CQSZACIVSA-N -1 1 338.791 3.982 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c(C)c1 ZINC000058190397 1128456850 /nfs/dbraw/zinc/45/68/50/1128456850.db2.gz XIHGOVATEIBNLO-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000055595238 1128524722 /nfs/dbraw/zinc/52/47/22/1128524722.db2.gz BXVXIDSLXMIMPV-UHFFFAOYSA-N -1 1 345.342 3.653 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1 ZINC000109423335 1128732288 /nfs/dbraw/zinc/73/22/88/1128732288.db2.gz MOQCLUUFRJJPSV-UHFFFAOYSA-N -1 1 348.493 3.810 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000672163554 1128825567 /nfs/dbraw/zinc/82/55/67/1128825567.db2.gz SCIXVDDCAKMRGW-NUJGCVRESA-N -1 1 325.383 3.940 20 0 EHADMM COC(=O)c1cc(Cl)cnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482739 1128841610 /nfs/dbraw/zinc/84/16/10/1128841610.db2.gz LIEJSPOVNILMDI-UHFFFAOYSA-N -1 1 331.130 3.763 20 0 EHADMM CCOc1ccc2c(c1)CN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC000064083351 1120014322 /nfs/dbraw/zinc/01/43/22/1120014322.db2.gz JTMWFRMOVSXIFP-UHFFFAOYSA-N -1 1 331.799 3.643 20 0 EHADMM O=C(Nc1c[n-][nH]c1=O)c1sc2cc(Cl)ccc2c1Cl ZINC001648814082 1120046886 /nfs/dbraw/zinc/04/68/86/1120046886.db2.gz GITHHHVNNIZBLL-UHFFFAOYSA-N -1 1 328.180 3.889 20 0 EHADMM CC(C)(CNC(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCCO1 ZINC001648853726 1120055036 /nfs/dbraw/zinc/05/50/36/1120055036.db2.gz MHIBZERJCYMUCO-KRWDZBQOSA-N -1 1 327.424 3.871 20 0 EHADMM Cc1ccncc1-c1noc(-c2ccc(Br)c([O-])c2)n1 ZINC000235783851 1120074383 /nfs/dbraw/zinc/07/43/83/1120074383.db2.gz BYBWMNIXCSHKFJ-UHFFFAOYSA-N -1 1 332.157 3.575 20 0 EHADMM C/C=C/C=C\C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000056696416 1120241742 /nfs/dbraw/zinc/24/17/42/1120241742.db2.gz WRIWBFVHTNLTSL-GZSBSVOMSA-N -1 1 342.420 3.558 20 0 EHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000263006215 1120312979 /nfs/dbraw/zinc/31/29/79/1120312979.db2.gz AQPZSSLFHNVVLS-ONGXEEELSA-N -1 1 335.753 3.901 20 0 EHADMM CC[C@@H](NCC(C)=Cc1ccc(Cl)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904066090 1120351927 /nfs/dbraw/zinc/35/19/27/1120351927.db2.gz XHNSBYCSNVHDHU-KOTGUFOOSA-N -1 1 333.819 3.906 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000187587751 1120504643 /nfs/dbraw/zinc/50/46/43/1120504643.db2.gz UBXHNTXORGHETA-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM CCC[C@@H](C)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494555345 1120593431 /nfs/dbraw/zinc/59/34/31/1120593431.db2.gz QAXHZEQARDBVKI-GFCCVEGCSA-N -1 1 336.432 4.000 20 0 EHADMM Cc1noc(C)c1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000191845354 1120699389 /nfs/dbraw/zinc/69/93/89/1120699389.db2.gz METKBRDMDUDMHT-UHFFFAOYSA-N -1 1 340.364 3.808 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2CCOC)cc1CC ZINC000191888644 1120701970 /nfs/dbraw/zinc/70/19/70/1120701970.db2.gz WJDJKLSIOCDBTN-UHFFFAOYSA-N -1 1 347.480 3.801 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1nc(-c2ccccc2)cs1 ZINC000176543234 1120747485 /nfs/dbraw/zinc/74/74/85/1120747485.db2.gz GRDIAUJDYDPWCL-MRVPVSSYSA-N -1 1 332.322 3.888 20 0 EHADMM C[C@H]1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000227535707 1120891769 /nfs/dbraw/zinc/89/17/69/1120891769.db2.gz DDCWFEPOMGWVJQ-JQWIXIFHSA-N -1 1 326.234 3.853 20 0 EHADMM CCC[C@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000230637094 1121004913 /nfs/dbraw/zinc/00/49/13/1121004913.db2.gz BPUJGXKISVXOEC-LBPRGKRZSA-N -1 1 326.234 3.950 20 0 EHADMM CC(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000303797369 1121182778 /nfs/dbraw/zinc/18/27/78/1121182778.db2.gz JCCOTCYSMUYDTR-UHFFFAOYSA-N -1 1 329.771 3.683 20 0 EHADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccnc(Cl)c1F ZINC000153512266 1121253333 /nfs/dbraw/zinc/25/33/33/1121253333.db2.gz GDKMHIAVDQYZRN-UHFFFAOYSA-N -1 1 348.790 3.569 20 0 EHADMM C/C(=C/C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000762789016 1121438995 /nfs/dbraw/zinc/43/89/95/1121438995.db2.gz UOKCKKMNZOCMDD-YPKPFQOOSA-N -1 1 329.440 3.806 20 0 EHADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2)n1 ZINC000126832206 1122444401 /nfs/dbraw/zinc/44/44/01/1122444401.db2.gz PZQVLBZFVAAMNZ-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)o1 ZINC000066814583 1122485511 /nfs/dbraw/zinc/48/55/11/1122485511.db2.gz ORGJZXLDSSQQTB-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000170664209 1122550477 /nfs/dbraw/zinc/55/04/77/1122550477.db2.gz FFCXPUHNAWVKKC-UHFFFAOYSA-N -1 1 337.466 3.746 20 0 EHADMM CCc1ccc([C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(C)C)cc1 ZINC000497735595 1122649998 /nfs/dbraw/zinc/64/99/98/1122649998.db2.gz IHVVHKFRRNIUBO-SFHVURJKSA-N -1 1 349.434 3.613 20 0 EHADMM CC(F)(F)CCCS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC000917873592 1122701159 /nfs/dbraw/zinc/70/11/59/1122701159.db2.gz QHOAVZRXNNYTKF-NSHDSACASA-N -1 1 333.391 3.555 20 0 EHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc2c(c1)CCCC2 ZINC000497950657 1122707852 /nfs/dbraw/zinc/70/78/52/1122707852.db2.gz QYFBRXSTSMPXQW-UHFFFAOYSA-N -1 1 326.421 3.848 20 0 EHADMM O=C([O-])[C@@]1(NCc2cc(Cl)ccc2F)CCc2c1cccc2F ZINC000556320792 1122925375 /nfs/dbraw/zinc/92/53/75/1122925375.db2.gz DISLIYNUCJWFEY-QGZVFWFLSA-N -1 1 337.753 3.634 20 0 EHADMM Cc1cc(-c2csc(NC(=O)c3ccc(O)cc3[O-])n2)c(C)o1 ZINC000556382898 1122960522 /nfs/dbraw/zinc/96/05/22/1122960522.db2.gz HBLOWSKHRFSSTE-UHFFFAOYSA-N -1 1 330.365 3.683 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2cccnc2OC2CCCCC2)no1 ZINC001212482916 1129089944 /nfs/dbraw/zinc/08/99/44/1129089944.db2.gz VRQGHXOFUQJFNR-UHFFFAOYSA-N -1 1 338.367 3.611 20 0 EHADMM COc1csc(C(=O)[N-]c2nc(-c3sccc3C)ns2)c1 ZINC000131466492 1123114559 /nfs/dbraw/zinc/11/45/59/1123114559.db2.gz CSSRGLKPGAFHQZ-UHFFFAOYSA-N -1 1 337.451 3.897 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1F)c1cccc(Cl)c1Cl ZINC000131544605 1123135548 /nfs/dbraw/zinc/13/55/48/1123135548.db2.gz MXBCCRHATTUGHA-UHFFFAOYSA-N -1 1 336.171 3.639 20 0 EHADMM Cc1ccc(CN(Cc2ccco2)C(=O)c2cncc([O-])c2)s1 ZINC000132189571 1123208535 /nfs/dbraw/zinc/20/85/35/1123208535.db2.gz RECXVMNELXXVOZ-UHFFFAOYSA-N -1 1 328.393 3.593 20 0 EHADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135129139 1123585522 /nfs/dbraw/zinc/58/55/22/1123585522.db2.gz DATCUVIHSROBAT-AWEZNQCLSA-N -1 1 334.803 3.673 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc2cc(Cl)ccc2[nH]1 ZINC000617365610 1124500055 /nfs/dbraw/zinc/50/00/55/1124500055.db2.gz ADCWKWVVZIKGHB-UHFFFAOYSA-N -1 1 342.811 3.947 20 0 EHADMM Cc1ccccc1OCCCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365993 1124500134 /nfs/dbraw/zinc/50/01/34/1124500134.db2.gz QRSHSLFBZXAFIF-UHFFFAOYSA-N -1 1 341.436 3.666 20 0 EHADMM C[C@H](c1cc(F)ccc1F)N(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182054159 1125140945 /nfs/dbraw/zinc/14/09/45/1125140945.db2.gz ZCSDKOSITVBYAF-LLVKDONJSA-N -1 1 345.345 3.970 20 0 EHADMM COc1ccc([C@H](NC(=O)c2cncc([O-])c2)c2ccc(C)cc2)cc1 ZINC000572545849 1125169798 /nfs/dbraw/zinc/16/97/98/1125169798.db2.gz AOTKTYMTNAPFDK-HXUWFJFHSA-N -1 1 348.402 3.624 20 0 EHADMM CCCCN(Cc1cc(=O)oc2cc([O-])ccc12)CC(F)(F)F ZINC000182286659 1125243333 /nfs/dbraw/zinc/24/33/33/1125243333.db2.gz LFKPEJWEFIXKBT-UHFFFAOYSA-N -1 1 329.318 3.663 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)C2CCC(F)CC2)cc(Cl)c1[O-] ZINC000619963031 1125439761 /nfs/dbraw/zinc/43/97/61/1125439761.db2.gz UWZZNPXLZINQNX-BMQDGWLCSA-N -1 1 329.799 3.701 20 0 EHADMM CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC)C(F)(F)F ZINC001128427854 1129228504 /nfs/dbraw/zinc/22/85/04/1129228504.db2.gz VEENQUUURVOFLA-CABZTGNLSA-N -1 1 339.304 3.880 20 0 EHADMM O=C(/C=C\C1CCCCC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000735564695 1131361582 /nfs/dbraw/zinc/36/15/82/1131361582.db2.gz MRHDIBHWYFVXJE-TWGQIWQCSA-N -1 1 328.364 3.678 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(O)c2ccccc2c1 ZINC000481002094 1129502292 /nfs/dbraw/zinc/50/22/92/1129502292.db2.gz IABQZRCSLYZENF-UHFFFAOYSA-N -1 1 335.388 3.671 20 0 EHADMM CCC[C@@H](CC1CCCC1)C(=O)NCCn1c(CC)n[n-]c1=S ZINC000073997220 1129896694 /nfs/dbraw/zinc/89/66/94/1129896694.db2.gz OZXOGILCSVKZCS-AWEZNQCLSA-N -1 1 338.521 3.616 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000242895083 1130024326 /nfs/dbraw/zinc/02/43/26/1130024326.db2.gz GOGJDGMWMABYRP-UHFFFAOYSA-N -1 1 348.443 3.925 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(C)(C)c2ccccc21 ZINC000675147903 1130266785 /nfs/dbraw/zinc/26/67/85/1130266785.db2.gz XESKBYVXOGKGLH-UHFFFAOYSA-N -1 1 339.439 3.726 20 0 EHADMM Cc1cc(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])n[nH]1 ZINC000676150311 1130537707 /nfs/dbraw/zinc/53/77/07/1130537707.db2.gz OLXMZMOPBBLFEA-UHFFFAOYSA-N -1 1 341.798 3.674 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cccc(OCC(F)(F)F)c1 ZINC000676339598 1130565019 /nfs/dbraw/zinc/56/50/19/1130565019.db2.gz UONUUWMYQQPUAG-UHFFFAOYSA-N -1 1 329.249 3.725 20 0 EHADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000727796752 1130595366 /nfs/dbraw/zinc/59/53/66/1130595366.db2.gz JFLSEXQYWSEKIZ-UHFFFAOYSA-N -1 1 347.436 3.671 20 0 EHADMM O=C(c1coc(C(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000626102649 1131155750 /nfs/dbraw/zinc/15/57/50/1131155750.db2.gz SELHCDCZAQKZNH-UHFFFAOYSA-N -1 1 349.333 3.658 20 0 EHADMM O=C1c2ccc(O)cc2C/C1=C\c1ccc([O-])c(Br)c1 ZINC000187223582 1131157213 /nfs/dbraw/zinc/15/72/13/1131157213.db2.gz WWQKDLGZMYONNF-VZUCSPMQSA-N -1 1 331.165 3.683 20 0 EHADMM CC(C)[C@H](C)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740928714 1131559142 /nfs/dbraw/zinc/55/91/42/1131559142.db2.gz QTJWHNGODWFRBK-GFCCVEGCSA-N -1 1 336.432 3.761 20 0 EHADMM COc1cc(Cl)cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689364 1131899930 /nfs/dbraw/zinc/89/99/30/1131899930.db2.gz ANVLSJZPLVCFDK-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM COc1cc(Cl)cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689364 1131899937 /nfs/dbraw/zinc/89/99/37/1131899937.db2.gz ANVLSJZPLVCFDK-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM COC(=O)c1cc(Br)c([O-])c(Nc2cccc(C)c2)c1 ZINC001173808713 1132152159 /nfs/dbraw/zinc/15/21/59/1132152159.db2.gz JSJQIAPWZUUQQE-UHFFFAOYSA-N -1 1 336.185 3.993 20 0 EHADMM COC(=O)c1cccc(Nc2ccc(F)c(Br)c2[O-])c1 ZINC001173963192 1132185121 /nfs/dbraw/zinc/18/51/21/1132185121.db2.gz BDTKACIAYJHJLG-UHFFFAOYSA-N -1 1 340.148 3.824 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000745041666 1132185407 /nfs/dbraw/zinc/18/54/07/1132185407.db2.gz WUIFBYQRQILBRD-UHFFFAOYSA-N -1 1 342.366 3.551 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)c2cccc(F)c2)c1 ZINC000745364941 1132237042 /nfs/dbraw/zinc/23/70/42/1132237042.db2.gz LADHGZFDPYDRQJ-LBPRGKRZSA-N -1 1 330.355 3.623 20 0 EHADMM Cc1ccc(C(=O)[C@H](C)OC(=O)c2c([O-])cc(F)cc2F)cc1C ZINC000745522275 1132260843 /nfs/dbraw/zinc/26/08/43/1132260843.db2.gz AXDIXPPTZSFFAY-NSHDSACASA-N -1 1 334.318 3.715 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccc2occc2c1)c1ccccc1N ZINC001174421875 1132348136 /nfs/dbraw/zinc/34/81/36/1132348136.db2.gz XGXMENNSHCRPCQ-UHFFFAOYSA-N -1 1 341.392 3.794 20 0 EHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC001174531476 1132384937 /nfs/dbraw/zinc/38/49/37/1132384937.db2.gz TWORJLJVOPSJPI-UHFFFAOYSA-N -1 1 349.214 3.824 20 0 EHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(N2CCCCC2)nc1 ZINC001174522618 1132400548 /nfs/dbraw/zinc/40/05/48/1132400548.db2.gz PIIRTROKGVVVOX-UHFFFAOYSA-N -1 1 337.379 3.628 20 0 EHADMM COc1ccc(Cn2cc(Nc3ccc(F)c(F)c3[O-])c(C)n2)cc1 ZINC001174582841 1132406762 /nfs/dbraw/zinc/40/67/62/1132406762.db2.gz HIOADTYDNDOBLG-UHFFFAOYSA-N -1 1 345.349 3.976 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c(C)s1 ZINC000190375235 1132453493 /nfs/dbraw/zinc/45/34/93/1132453493.db2.gz KZMJWDXTBCCPBL-UHFFFAOYSA-N -1 1 347.465 3.660 20 0 EHADMM CCOc1cc(Nc2nc[n-]c(=O)c2Br)ccc1Cl ZINC001212579193 1132503738 /nfs/dbraw/zinc/50/37/38/1132503738.db2.gz UZBJZWQGKJOPCG-UHFFFAOYSA-N -1 1 344.596 3.740 20 0 EHADMM O=C(NCC1(C(F)(F)F)CCCC1)c1ncc2ccccc2c1[O-] ZINC001169279166 1132713655 /nfs/dbraw/zinc/71/36/55/1132713655.db2.gz GMEVTPGNIVSLAX-UHFFFAOYSA-N -1 1 338.329 3.793 20 0 EHADMM C[C@@H](CC(=O)[N-]OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000766775252 1132810620 /nfs/dbraw/zinc/81/06/20/1132810620.db2.gz MMKPNFPTFWZLCV-QMMMGPOBSA-N -1 1 329.240 3.809 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccccc2OC(F)F)c1 ZINC001176010460 1132818037 /nfs/dbraw/zinc/81/80/37/1132818037.db2.gz DMNXXXPBZPUGPC-UHFFFAOYSA-N -1 1 343.351 3.531 20 0 EHADMM CC(C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1)=C1CCCC1 ZINC001169859737 1132883217 /nfs/dbraw/zinc/88/32/17/1132883217.db2.gz JMJPWZSVIIJFIK-UHFFFAOYSA-N -1 1 348.874 3.580 20 0 EHADMM CS(=O)(=O)c1ccc([N-]c2nc3cc(Cl)ccc3o2)c(F)c1 ZINC001176273060 1132899028 /nfs/dbraw/zinc/89/90/28/1132899028.db2.gz GQDHWBZWAOIMJV-UHFFFAOYSA-N -1 1 340.763 3.767 20 0 EHADMM CC[C@H](C)[C@@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)C(F)(F)F ZINC000767108079 1132946045 /nfs/dbraw/zinc/94/60/45/1132946045.db2.gz UOSLAJOBWVTHSR-JOYOIKCWSA-N -1 1 339.304 3.880 20 0 EHADMM CN(C)C(=O)Oc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176673551 1132980623 /nfs/dbraw/zinc/98/06/23/1132980623.db2.gz KDLFYIFJWKYHMV-UHFFFAOYSA-N -1 1 326.274 3.614 20 0 EHADMM COc1nscc1[N-]C(=O)c1sc2ncccc2c1Cl ZINC001176768710 1133000345 /nfs/dbraw/zinc/00/03/45/1133000345.db2.gz JMCLJUQLZCQOQO-UHFFFAOYSA-N -1 1 325.802 3.667 20 0 EHADMM CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000768241865 1133112974 /nfs/dbraw/zinc/11/29/74/1133112974.db2.gz LENFXLPTRQCKCQ-SFHVURJKSA-N -1 1 349.377 3.502 20 0 EHADMM O=C(C/C=C\Cc1ccccc1)NCCc1c(F)cc([O-])cc1F ZINC001178785226 1133199023 /nfs/dbraw/zinc/19/90/23/1133199023.db2.gz QMMNLJPMDXSPOU-PLNGDYQASA-N -1 1 331.362 3.518 20 0 EHADMM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773773819 1133205899 /nfs/dbraw/zinc/20/58/99/1133205899.db2.gz VZUBVXDHXWPUOF-SNVBAGLBSA-N -1 1 346.843 3.505 20 0 EHADMM Cc1cc([C@H]2CCCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)n[nH]1 ZINC001179151610 1133232675 /nfs/dbraw/zinc/23/26/75/1133232675.db2.gz DIYGYLDZSACOCS-CQSZACIVSA-N -1 1 342.424 3.515 20 0 EHADMM O=C(/C=C/C1CCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000769283462 1133254475 /nfs/dbraw/zinc/25/44/75/1133254475.db2.gz WHWDJEXYLIFHBF-IZZDOVSWSA-N -1 1 341.451 3.950 20 0 EHADMM C[C@@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCOc2ccccc21 ZINC001179660438 1133268069 /nfs/dbraw/zinc/26/80/69/1133268069.db2.gz RNUVCVBYWVPNBQ-QGZVFWFLSA-N -1 1 335.762 3.864 20 0 EHADMM CN(Cc1cc(Cl)ccc1F)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000769852277 1133356526 /nfs/dbraw/zinc/35/65/26/1133356526.db2.gz DJVYFDIMKHBXMB-UHFFFAOYSA-N -1 1 347.773 3.923 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000769893896 1133356624 /nfs/dbraw/zinc/35/66/24/1133356624.db2.gz BDZOTDNHSOMHDL-LBPRGKRZSA-N -1 1 347.802 3.673 20 0 EHADMM O=S(=O)([N-]Nc1c(F)cccc1Cl)c1cc2ccccc2o1 ZINC000769893486 1133364203 /nfs/dbraw/zinc/36/42/03/1133364203.db2.gz WJDBVJLULBZDLL-UHFFFAOYSA-N -1 1 340.763 3.531 20 0 EHADMM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1c([O-])cccc1Cl ZINC000769938507 1133369623 /nfs/dbraw/zinc/36/96/23/1133369623.db2.gz RLZGTEKCRGTDEO-UHFFFAOYSA-N -1 1 341.835 3.676 20 0 EHADMM [O-]c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(F)c1F ZINC001180412977 1133372247 /nfs/dbraw/zinc/37/22/47/1133372247.db2.gz NWPQFHAKNRCQMZ-CQSZACIVSA-N -1 1 347.361 3.779 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H](O)c1cccc(F)c1 ZINC000770037811 1133380868 /nfs/dbraw/zinc/38/08/68/1133380868.db2.gz FBHHBFDTBGTXOO-BUXKBTBVSA-N -1 1 339.366 3.536 20 0 EHADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000771384592 1133550755 /nfs/dbraw/zinc/55/07/55/1133550755.db2.gz OEHZAECVNUMUQA-HWPZZCPQSA-N -1 1 337.778 3.691 20 0 EHADMM CC(C)(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1Cl ZINC001183863514 1133872675 /nfs/dbraw/zinc/87/26/75/1133872675.db2.gz ACWDJYWUECRANC-UHFFFAOYSA-N -1 1 346.740 3.783 20 0 EHADMM O=C(CCCc1nc2ccccc2[nH]1)NCc1ccc([O-])c(Cl)c1 ZINC001184216710 1133909344 /nfs/dbraw/zinc/90/93/44/1133909344.db2.gz FTKZSFAOXKFKPG-UHFFFAOYSA-N -1 1 343.814 3.561 20 0 EHADMM Cc1cccc(Cl)c1NC(=O)Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001184545606 1133951685 /nfs/dbraw/zinc/95/16/85/1133951685.db2.gz AVQNJLJJNFGBQF-UHFFFAOYSA-N -1 1 347.802 3.700 20 0 EHADMM Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184877742 1134001214 /nfs/dbraw/zinc/00/12/14/1134001214.db2.gz FUXNIQPPJIPXHP-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM O=S(=O)([N-]c1ccc(OC(F)(F)Cl)cc1)c1ccsc1 ZINC001185391772 1134078233 /nfs/dbraw/zinc/07/82/33/1134078233.db2.gz PSBVCLXMETTWOJ-UHFFFAOYSA-N -1 1 339.772 3.717 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc3ccncc32)ccc1Cl ZINC001185525292 1134102943 /nfs/dbraw/zinc/10/29/43/1134102943.db2.gz VQCNCURGTZPCQO-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)cc2o1 ZINC001185524487 1134103290 /nfs/dbraw/zinc/10/32/90/1134103290.db2.gz GCKJVOAGZYRUCV-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM O=C(NCCSCc1ccccc1Cl)c1ccc([O-])c(F)c1 ZINC001186236603 1134183891 /nfs/dbraw/zinc/18/38/91/1134183891.db2.gz HXWBULQGMUJKBC-UHFFFAOYSA-N -1 1 339.819 3.848 20 0 EHADMM O=C(NCc1nc(-c2ccccc2)cs1)c1ccc([O-])c(F)c1 ZINC001186233297 1134184723 /nfs/dbraw/zinc/18/47/23/1134184723.db2.gz HFYSIJJOCNJBIY-UHFFFAOYSA-N -1 1 328.368 3.585 20 0 EHADMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC001186246769 1134187026 /nfs/dbraw/zinc/18/70/26/1134187026.db2.gz FIYZKENBWNGPBQ-SNVBAGLBSA-N -1 1 345.798 3.700 20 0 EHADMM Cc1c(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c2ccccc2n1C ZINC000789740670 1134331047 /nfs/dbraw/zinc/33/10/47/1134331047.db2.gz RMAAWRLODMAEKY-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM Cc1cccc2c(CCC(=O)Nc3nc(Cl)ccc3[O-])c[nH]c21 ZINC000789932117 1134353857 /nfs/dbraw/zinc/35/38/57/1134353857.db2.gz RCIUJWALXJSOFA-UHFFFAOYSA-N -1 1 329.787 3.802 20 0 EHADMM CSCCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790260827 1134386825 /nfs/dbraw/zinc/38/68/25/1134386825.db2.gz GTQKIHMOWRXARV-UHFFFAOYSA-N -1 1 339.885 3.681 20 0 EHADMM C[C@H]1CC(C)(C)c2cccc(NC(=O)c3n[n-]nc3C(F)(F)F)c21 ZINC001187766175 1134382134 /nfs/dbraw/zinc/38/21/34/1134382134.db2.gz IWEWCNCOGCLAHH-QMMMGPOBSA-N -1 1 338.333 3.861 20 0 EHADMM CCCc1nc2ccc(NC(=O)c3ncc(C(F)(F)F)[n-]3)cc2o1 ZINC001188288271 1134445023 /nfs/dbraw/zinc/44/50/23/1134445023.db2.gz QGIDPSDLBMFRIZ-UHFFFAOYSA-N -1 1 338.289 3.775 20 0 EHADMM CCCc1nc2ccc(NC(=O)c3nc(C(F)(F)F)c[n-]3)cc2o1 ZINC001188288271 1134445026 /nfs/dbraw/zinc/44/50/26/1134445026.db2.gz QGIDPSDLBMFRIZ-UHFFFAOYSA-N -1 1 338.289 3.775 20 0 EHADMM O=C(Nc1cccc2c(Cl)ccnc12)c1ncc(C(F)(F)F)[n-]1 ZINC001188288634 1134445343 /nfs/dbraw/zinc/44/53/43/1134445343.db2.gz HFZUGCOTJXRGNA-UHFFFAOYSA-N -1 1 340.692 3.882 20 0 EHADMM O=C(Nc1cccc2c(Cl)ccnc12)c1nc(C(F)(F)F)c[n-]1 ZINC001188288634 1134445347 /nfs/dbraw/zinc/44/53/47/1134445347.db2.gz HFZUGCOTJXRGNA-UHFFFAOYSA-N -1 1 340.692 3.882 20 0 EHADMM Cc1ccc(OC(C)C)cc1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188289111 1134446200 /nfs/dbraw/zinc/44/62/00/1134446200.db2.gz QQJVZCSSAYLSHC-UHFFFAOYSA-N -1 1 327.306 3.776 20 0 EHADMM Cc1ccc(OC(C)C)cc1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188289111 1134446201 /nfs/dbraw/zinc/44/62/01/1134446201.db2.gz QQJVZCSSAYLSHC-UHFFFAOYSA-N -1 1 327.306 3.776 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1F)c1ccoc1 ZINC001188610811 1134481990 /nfs/dbraw/zinc/48/19/90/1134481990.db2.gz YEHCXEAWPCPFIY-UHFFFAOYSA-N -1 1 328.123 3.665 20 0 EHADMM O=S(=O)([N-]c1cnccc1F)c1ccc2oc3ccccc3c2c1 ZINC001188809763 1134511326 /nfs/dbraw/zinc/51/13/26/1134511326.db2.gz QEPNKTLUWOYKHS-UHFFFAOYSA-N -1 1 342.351 3.921 20 0 EHADMM Cc1nc(SCc2cnc(N(C)C)c3ccccc23)[n-]c(=O)c1C ZINC001189062503 1134538664 /nfs/dbraw/zinc/53/86/64/1134538664.db2.gz XOHLRGKSFZGLIK-UHFFFAOYSA-N -1 1 340.452 3.706 20 0 EHADMM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cccc(C2CCC2)n1 ZINC001189425521 1134585625 /nfs/dbraw/zinc/58/56/25/1134585625.db2.gz HALVVKKSFCOBSW-UHFFFAOYSA-N -1 1 338.379 3.569 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1F ZINC000775294064 1134616220 /nfs/dbraw/zinc/61/62/20/1134616220.db2.gz GYOZLPZLQHHYNP-UHFFFAOYSA-N -1 1 349.427 3.822 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc(F)cc(F)c1F ZINC001190387115 1134689494 /nfs/dbraw/zinc/68/94/94/1134689494.db2.gz CYRPULHNYQRUSJ-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccnc(SC)c2)cc1 ZINC001191233580 1134832521 /nfs/dbraw/zinc/83/25/21/1134832521.db2.gz WFNQPBCFPFRVPW-UHFFFAOYSA-N -1 1 336.482 3.947 20 0 EHADMM CC(C)(C)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001191239753 1134833629 /nfs/dbraw/zinc/83/36/29/1134833629.db2.gz SHMRIHGRMOYIGJ-WCQYABFASA-N -1 1 333.856 3.972 20 0 EHADMM Cc1nc(C(=O)[N-]c2c(F)cc(Cl)cc2F)nn1-c1ccccc1 ZINC000775498831 1134963675 /nfs/dbraw/zinc/96/36/75/1134963675.db2.gz BZBNNWJYGDUCPA-UHFFFAOYSA-N -1 1 348.740 3.760 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cc1O ZINC001193825538 1135189000 /nfs/dbraw/zinc/18/90/00/1135189000.db2.gz YBXBCDPRNLBOLN-UHFFFAOYSA-N -1 1 343.404 3.663 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCC2(F)F)sc1Cl ZINC001194110127 1135227397 /nfs/dbraw/zinc/22/73/97/1135227397.db2.gz QUXWQIOCRMKSED-VIFPVBQESA-N -1 1 343.848 3.814 20 0 EHADMM O=S(=O)([N-]c1cccnc1F)c1ccc2c(Cl)cccc2c1 ZINC001194216714 1135245591 /nfs/dbraw/zinc/24/55/91/1135245591.db2.gz HNVXRVLCGCCVRX-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cccc2C)c1C ZINC001194643664 1135296627 /nfs/dbraw/zinc/29/66/27/1135296627.db2.gz LHIBQXSYXXFEMI-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1nccc(Cl)c1Cl ZINC001195449705 1135424685 /nfs/dbraw/zinc/42/46/85/1135424685.db2.gz DXIMOINKHDNFLX-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2ccccc2OC)cc1 ZINC001195484783 1135432291 /nfs/dbraw/zinc/43/22/91/1135432291.db2.gz RCTYWCWTFMBVLB-UHFFFAOYSA-N -1 1 330.409 3.805 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccc(C(F)F)nc1 ZINC001196094331 1135517156 /nfs/dbraw/zinc/51/71/56/1135517156.db2.gz OOVPPXXHZGGENT-UHFFFAOYSA-N -1 1 332.228 3.996 20 0 EHADMM O=C([N-]c1cccc2nsnc21)c1snc(Cl)c1Cl ZINC001196330053 1135547219 /nfs/dbraw/zinc/54/72/19/1135547219.db2.gz VFIMTOFPNITNGO-UHFFFAOYSA-N -1 1 331.209 3.707 20 0 EHADMM CSc1cc(Cl)ccc1[N-]C(=O)c1cc(Cn2cccn2)on1 ZINC001131054444 1135574063 /nfs/dbraw/zinc/57/40/63/1135574063.db2.gz IFLVDPHZDFRUBE-UHFFFAOYSA-N -1 1 348.815 3.547 20 0 EHADMM CC(F)(F)C(=O)[N-]Cc1ccc(Br)cc1C(F)(F)F ZINC000808465263 1135673646 /nfs/dbraw/zinc/67/36/46/1135673646.db2.gz NCXINGXLHDJSBT-UHFFFAOYSA-N -1 1 346.093 3.739 20 0 EHADMM Cc1cc(C)nc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197494666 1135699462 /nfs/dbraw/zinc/69/94/62/1135699462.db2.gz HHLRVOKAQNNYFR-UHFFFAOYSA-N -1 1 345.251 3.947 20 0 EHADMM CC(C)Oc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])n1 ZINC001199043461 1135875293 /nfs/dbraw/zinc/87/52/93/1135875293.db2.gz CNTLCINDHKGKPI-UHFFFAOYSA-N -1 1 340.301 3.846 20 0 EHADMM CSc1ccc(C)c(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000775968922 1135905001 /nfs/dbraw/zinc/90/50/01/1135905001.db2.gz JLLOQLHWVHNQHJ-UHFFFAOYSA-N -1 1 331.441 3.897 20 0 EHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=S)NC1CCCCCC1 ZINC001199982162 1135943704 /nfs/dbraw/zinc/94/37/04/1135943704.db2.gz SIPZRWNDKIOZMG-UHFFFAOYSA-N -1 1 344.484 3.896 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810411688 1135961441 /nfs/dbraw/zinc/96/14/41/1135961441.db2.gz SBLAKYMFQVCLMF-UHFFFAOYSA-N -1 1 334.656 3.851 20 0 EHADMM Cc1ccc2sc(C(=O)[N-]N3CCc4ccccc4C3=O)cc2c1 ZINC000810854047 1136017405 /nfs/dbraw/zinc/01/74/05/1136017405.db2.gz HHRWHANKBYBCSJ-UHFFFAOYSA-N -1 1 336.416 3.553 20 0 EHADMM COc1nc(C(C)C)ccc1[N-]c1nnc(Br)s1 ZINC001201432190 1136020090 /nfs/dbraw/zinc/02/00/90/1136020090.db2.gz ZZEQSDHRPISIEC-UHFFFAOYSA-N -1 1 329.223 3.571 20 0 EHADMM COc1nc(C(C)C)ccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001201437436 1136024481 /nfs/dbraw/zinc/02/44/81/1136024481.db2.gz XAZUPQRDBOWCST-UHFFFAOYSA-N -1 1 326.352 3.769 20 0 EHADMM Cc1ccccc1-c1cnc(NC([O-])=NO[C@H]2CCCCO2)s1 ZINC000161731542 1136064529 /nfs/dbraw/zinc/06/45/29/1136064529.db2.gz NHCROEIZCMVYDR-AWEZNQCLSA-N -1 1 333.413 3.698 20 0 EHADMM Cc1ccccc1-c1cnc(NC(=O)[N-]O[C@H]2CCCCO2)s1 ZINC000161731542 1136064530 /nfs/dbraw/zinc/06/45/30/1136064530.db2.gz NHCROEIZCMVYDR-AWEZNQCLSA-N -1 1 333.413 3.698 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201937712 1136073676 /nfs/dbraw/zinc/07/36/76/1136073676.db2.gz ZHTGYHXPNBRGCS-WCQYABFASA-N -1 1 347.212 3.832 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811608700 1136112472 /nfs/dbraw/zinc/11/24/72/1136112472.db2.gz ZSHKSFIZAJFUHD-LJQANCHMSA-N -1 1 343.810 3.656 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cccc(Cl)c1 ZINC000005980975 1136153328 /nfs/dbraw/zinc/15/33/28/1136153328.db2.gz FOMILZLVMNGSNZ-UHFFFAOYSA-N -1 1 330.723 3.509 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1cc2c(cn1)CCCC2 ZINC000812331274 1136195475 /nfs/dbraw/zinc/19/54/75/1136195475.db2.gz FAGMBTQDFNFFER-MDZDMXLPSA-N -1 1 332.400 3.512 20 0 EHADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000812339336 1136200537 /nfs/dbraw/zinc/20/05/37/1136200537.db2.gz UBEIMQXOMBFXKR-VOTSOKGWSA-N -1 1 326.780 3.595 20 0 EHADMM CCCCCC[C@@H](C)CC(=O)Nc1[n-]c(C(=O)OC)cc1C(C)=O ZINC001133459329 1136255069 /nfs/dbraw/zinc/25/50/69/1136255069.db2.gz JOEIPMZAVJIEPK-GFCCVEGCSA-N -1 1 336.432 3.939 20 0 EHADMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H](C)CC2CCCCC2)[n-]1 ZINC001133688548 1136313485 /nfs/dbraw/zinc/31/34/85/1136313485.db2.gz PYVRLXJOKMXVCI-NSHDSACASA-N -1 1 334.416 3.549 20 0 EHADMM CC[C@H](C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000007647260 1136319922 /nfs/dbraw/zinc/31/99/22/1136319922.db2.gz LUHSGUYEZUQCMK-INIZCTEOSA-N -1 1 338.359 3.736 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)c3occc3C(C)C)[nH]c21 ZINC001134753552 1136527628 /nfs/dbraw/zinc/52/76/28/1136527628.db2.gz QXXIQEUFVFMFKU-UHFFFAOYSA-N -1 1 341.367 3.708 20 0 EHADMM Cn1c2ccccc2nc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000008807957 1136547726 /nfs/dbraw/zinc/54/77/26/1136547726.db2.gz YDIDSWIRFSAAHH-UHFFFAOYSA-N -1 1 338.388 3.678 20 0 EHADMM O=C1CCCN1c1ccc(F)c(NCc2cccc([O-])c2Cl)c1 ZINC000815133478 1136560060 /nfs/dbraw/zinc/56/00/60/1136560060.db2.gz JYAHSRDSLGSVAD-UHFFFAOYSA-N -1 1 334.778 3.924 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCC(C)(C)F)c([O-])c1 ZINC000855745759 1136724966 /nfs/dbraw/zinc/72/49/66/1136724966.db2.gz GVMQUTMAZCPAOQ-UHFFFAOYSA-N -1 1 340.395 3.607 20 0 EHADMM CCSc1cccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000816983046 1136770104 /nfs/dbraw/zinc/77/01/04/1136770104.db2.gz GKEYHVLSBXXOBB-UHFFFAOYSA-N -1 1 345.468 3.656 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)c1nccn1C ZINC000856280112 1136772517 /nfs/dbraw/zinc/77/25/17/1136772517.db2.gz LTKKPSUANQUYSC-MRVPVSSYSA-N -1 1 348.180 3.696 20 0 EHADMM O=c1nc(N2CCC(Cc3cccc(F)c3F)CC2)cc(Cl)[n-]1 ZINC000858564446 1136979015 /nfs/dbraw/zinc/97/90/15/1136979015.db2.gz NEPYSHBADUTGAW-UHFFFAOYSA-N -1 1 339.773 3.573 20 0 EHADMM CN(C(=O)c1cc(Br)ccc1[O-])c1ccc(F)c(F)c1 ZINC001136407850 1137014697 /nfs/dbraw/zinc/01/46/97/1137014697.db2.gz SFJPYYNRVBYWGT-UHFFFAOYSA-N -1 1 342.139 3.710 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)CCc2cccc3ccccc32)c1 ZINC001136498009 1137038256 /nfs/dbraw/zinc/03/82/56/1137038256.db2.gz CSGMKZZSTGXXIG-UHFFFAOYSA-N -1 1 347.414 3.981 20 0 EHADMM COc1cccc(C[C@H](C)CC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC000821980642 1137045116 /nfs/dbraw/zinc/04/51/16/1137045116.db2.gz RURFDXUGQUPNKS-NSHDSACASA-N -1 1 335.350 3.886 20 0 EHADMM CCc1cccc2c1OCC[C@H]2NC(=O)c1cc(Cl)ccc1[O-] ZINC001136521838 1137045508 /nfs/dbraw/zinc/04/55/08/1137045508.db2.gz SQXFVLCSWUWNOM-OAHLLOKOSA-N -1 1 331.799 3.862 20 0 EHADMM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1c([O-])cccc1Cl ZINC000772874134 1137111578 /nfs/dbraw/zinc/11/15/78/1137111578.db2.gz VGBWATXBGAHAJY-GUYCJALGSA-N -1 1 331.799 3.553 20 0 EHADMM CCO[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)C1CC1 ZINC000861677175 1137117927 /nfs/dbraw/zinc/11/79/27/1137117927.db2.gz NVGSDCKVMBRNCJ-LBPRGKRZSA-N -1 1 348.624 3.562 20 0 EHADMM CCc1cc2c(COC(=O)C3(C)CCCC3)cc(=O)oc2cc1[O-] ZINC000824983394 1137161038 /nfs/dbraw/zinc/16/10/38/1137161038.db2.gz VPKRPRCTZKSADP-UHFFFAOYSA-N -1 1 330.380 3.685 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1 ZINC001137002235 1137169597 /nfs/dbraw/zinc/16/95/97/1137169597.db2.gz IWVNXQGHNXUVNG-YJBOKZPZSA-N -1 1 337.419 3.779 20 0 EHADMM CCCOc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1C ZINC000863527917 1137190450 /nfs/dbraw/zinc/19/04/50/1137190450.db2.gz ORWYULKGPXRAAV-UHFFFAOYSA-N -1 1 343.427 3.964 20 0 EHADMM C[C@@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000863739926 1137201630 /nfs/dbraw/zinc/20/16/30/1137201630.db2.gz BBAKNYCDGTULNA-NOZJJQNGSA-N -1 1 335.753 3.901 20 0 EHADMM O=C([O-])C[C@H](NCc1ccc(OC(F)F)cc1F)c1cccs1 ZINC000864509135 1137230893 /nfs/dbraw/zinc/23/08/93/1137230893.db2.gz GWRPZFXCKZJCBS-LBPRGKRZSA-N -1 1 345.342 3.794 20 0 EHADMM CC(C)Oc1cccc(CNC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC000864920943 1137252641 /nfs/dbraw/zinc/25/26/41/1137252641.db2.gz JAAOQEGTVGUABF-UHFFFAOYSA-N -1 1 333.815 3.692 20 0 EHADMM O=C([N-]c1nnc(-c2ccco2)s1)c1conc1C1CCCC1 ZINC000864970509 1137255791 /nfs/dbraw/zinc/25/57/91/1137255791.db2.gz QWBMFQBYHKAMKX-UHFFFAOYSA-N -1 1 330.369 3.696 20 0 EHADMM CCCCC[C@@H](C)NC(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373137 1137278324 /nfs/dbraw/zinc/27/83/24/1137278324.db2.gz HKXNCAJEDMPXPS-LLVKDONJSA-N -1 1 337.489 3.545 20 0 EHADMM [O-]c1cc(F)c(CN2CCN(c3ccccc3Cl)CC2)c(F)c1 ZINC001144555006 1137308715 /nfs/dbraw/zinc/30/87/15/1137308715.db2.gz QTGXSAQHHFSFMA-UHFFFAOYSA-N -1 1 338.785 3.646 20 0 EHADMM [O-]c1cc(F)c(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(F)c1 ZINC001144559899 1137309713 /nfs/dbraw/zinc/30/97/13/1137309713.db2.gz QKNQWVUKOYHYEX-QGZVFWFLSA-N -1 1 341.304 3.522 20 0 EHADMM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC001144653380 1137323158 /nfs/dbraw/zinc/32/31/58/1137323158.db2.gz NVSAEZAWTYUPQL-SHTZXODSSA-N -1 1 327.428 3.979 20 0 EHADMM COc1ccc(C2=CCN(Cc3cc(F)c([O-])cc3F)CC2)cc1 ZINC001144664069 1137324970 /nfs/dbraw/zinc/32/49/70/1137324970.db2.gz TYDHTTKZXTZPAY-UHFFFAOYSA-N -1 1 331.362 3.968 20 0 EHADMM [O-]c1cc(F)c(CN(Cc2cccnc2)Cc2ccccn2)cc1F ZINC001144665673 1137325096 /nfs/dbraw/zinc/32/50/96/1137325096.db2.gz CQFNEKMICQTRMY-UHFFFAOYSA-N -1 1 341.361 3.663 20 0 EHADMM O=C(Cc1ccc(C2CC2)cc1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001144719574 1137335131 /nfs/dbraw/zinc/33/51/31/1137335131.db2.gz PBODRUFNPYJCFM-UHFFFAOYSA-N -1 1 333.391 3.637 20 0 EHADMM C[C@]1(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@]1(F)Cl ZINC000846397985 1137349538 /nfs/dbraw/zinc/34/95/38/1137349538.db2.gz DPOBLSWZHMHFPG-QWHCGFSZSA-N -1 1 339.716 3.846 20 0 EHADMM O=C([O-])[C@@H](CCF)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000846783874 1137365508 /nfs/dbraw/zinc/36/55/08/1137365508.db2.gz SEHPHKIIDPNIRU-CYBMUJFWSA-N -1 1 345.292 3.868 20 0 EHADMM Cc1ccc2nc(C(=O)[N-]c3nnc(-c4ccco4)o3)sc2c1 ZINC001147554697 1137409022 /nfs/dbraw/zinc/40/90/22/1137409022.db2.gz WYMBMVDXVLWOGI-UHFFFAOYSA-N -1 1 326.337 3.500 20 0 EHADMM Cc1cnc(COCC(=O)Nc2cc(Cl)c([O-])c3ccccc23)o1 ZINC001148253473 1137420628 /nfs/dbraw/zinc/42/06/28/1137420628.db2.gz UDDGZQHXWBCYCR-UHFFFAOYSA-N -1 1 346.770 3.651 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cccc2c1CCCC2 ZINC001148630269 1137430127 /nfs/dbraw/zinc/43/01/27/1137430127.db2.gz AWASUJZQZUCPAO-UHFFFAOYSA-N -1 1 333.391 3.709 20 0 EHADMM C[C@]1(F)CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])C[C@@H]1F ZINC001148866661 1137436860 /nfs/dbraw/zinc/43/68/60/1137436860.db2.gz DEWGYVUMXZMCMW-LPHOPBHVSA-N -1 1 331.362 3.971 20 0 EHADMM C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)c1ncccc1[O-] ZINC001171708125 1137505314 /nfs/dbraw/zinc/50/53/14/1137505314.db2.gz GNTKPWNHDAJGCC-GOSISDBHSA-N -1 1 348.805 3.817 20 0 EHADMM COc1ccc2c(c1)[C@H](C(=O)[N-]OCCCC(F)(F)F)CCC2 ZINC000871216668 1137528183 /nfs/dbraw/zinc/52/81/83/1137528183.db2.gz BFWVLENZWPNVJB-CYBMUJFWSA-N -1 1 331.334 3.505 20 0 EHADMM CC(=O)[C@@H](Cc1ccccc1)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000871679148 1137552885 /nfs/dbraw/zinc/55/28/85/1137552885.db2.gz IWGXCSMGIMUZNB-OAHLLOKOSA-N -1 1 328.437 3.660 20 0 EHADMM Cc1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000872159110 1137574409 /nfs/dbraw/zinc/57/44/09/1137574409.db2.gz NNUFSEFSYGYUGF-HNNXBMFYSA-N -1 1 345.826 4.000 20 0 EHADMM CCc1cc2c(CN(CC(F)(F)F)C3CC3)cc(=O)oc2cc1[O-] ZINC000125851343 1137647559 /nfs/dbraw/zinc/64/75/59/1137647559.db2.gz HHWCRGKRJPPPCJ-UHFFFAOYSA-N -1 1 341.329 3.588 20 0 EHADMM CC1(C)CN(C(=O)NCc2ccc([O-])c(Cl)c2)[C@@H]1c1ccncc1 ZINC000876396396 1137650822 /nfs/dbraw/zinc/65/08/22/1137650822.db2.gz DEABVWRXFLTJDX-MRXNPFEDSA-N -1 1 345.830 3.733 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000826075778 1137729390 /nfs/dbraw/zinc/72/93/90/1137729390.db2.gz ZZFCWGNUVCALQM-VHDGCEQUSA-N -1 1 326.362 3.774 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888826477 1137782233 /nfs/dbraw/zinc/78/22/33/1137782233.db2.gz KJLNHZBBOWPRKU-SGTLLEGYSA-N -1 1 328.799 3.592 20 0 EHADMM CC1(C)CCC[C@H](CSc2nc([O-])cc(=O)n2C2CCCC2)O1 ZINC000882096422 1137821128 /nfs/dbraw/zinc/82/11/28/1137821128.db2.gz RZCHEVMCRSGDCT-CYBMUJFWSA-N -1 1 338.473 3.504 20 0 EHADMM COC(=O)c1c[n-]c(SC[C@H]2CCC[C@@H](c3ccccc3)O2)n1 ZINC000882157440 1137822332 /nfs/dbraw/zinc/82/23/32/1137822332.db2.gz XEYIMNSJENOGDL-HIFRSBDPSA-N -1 1 332.425 3.599 20 0 EHADMM O=S(=O)([N-]CC[C@@H]1CCCC1(F)F)c1cc2ccccc2o1 ZINC000882595702 1137829963 /nfs/dbraw/zinc/82/99/63/1137829963.db2.gz ZIKPRGOPTAJLPW-LBPRGKRZSA-N -1 1 329.368 3.537 20 0 EHADMM COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)c([O-])c1 ZINC000029088492 1137878185 /nfs/dbraw/zinc/87/81/85/1137878185.db2.gz GOCFANHHYQPYAL-UHFFFAOYSA-N -1 1 333.413 3.552 20 0 EHADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000121383918 1137957393 /nfs/dbraw/zinc/95/73/93/1137957393.db2.gz VVZSFZBIIWARCO-YPMHNXCESA-N -1 1 343.427 3.502 20 0 EHADMM Cc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)cnn1CCC(C)C ZINC000885676237 1138017856 /nfs/dbraw/zinc/01/78/56/1138017856.db2.gz KTUIGXALHHZLRL-UHFFFAOYSA-N -1 1 339.798 3.988 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333587387 1138307817 /nfs/dbraw/zinc/30/78/17/1138307817.db2.gz AYOKOQSIQFKRKJ-RBUKOAKNSA-N -1 1 339.435 3.559 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC000337752515 1138659526 /nfs/dbraw/zinc/65/95/26/1138659526.db2.gz JWPLVOABRGKCMB-UHFFFAOYSA-N -1 1 347.461 3.728 20 0 EHADMM C[C@]1(c2ccccc2)CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000264967743 1138689712 /nfs/dbraw/zinc/68/97/12/1138689712.db2.gz OSNRPNSXTHPGJU-IBGZPJMESA-N -1 1 339.464 3.951 20 0 EHADMM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180361568 1139829717 /nfs/dbraw/zinc/82/97/17/1139829717.db2.gz PHTFVHWBLDDTOA-AWEZNQCLSA-N -1 1 338.329 3.727 20 0 EHADMM CCOc1cc(C(=O)NCCC[C@@H]2CCCCO2)cc(Cl)c1[O-] ZINC000183565115 1140046795 /nfs/dbraw/zinc/04/67/95/1140046795.db2.gz DQMAGHHKQKCLAJ-ZDUSSCGKSA-N -1 1 341.835 3.523 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2CCC[C@H](SC)C2)cc(Cl)c1[O-] ZINC000186817561 1140222740 /nfs/dbraw/zinc/22/27/40/1140222740.db2.gz BAEZBYGSXAULJT-RYUDHWBXSA-N -1 1 343.876 3.848 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](CC)c2ccncc2)cc(Cl)c1[O-] ZINC000186831459 1140224301 /nfs/dbraw/zinc/22/43/01/1140224301.db2.gz BTHRHZVQTUVVOC-AWEZNQCLSA-N -1 1 334.803 3.720 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@@H](C)CCSC)cc(Cl)c1[O-] ZINC000273925331 1141447631 /nfs/dbraw/zinc/44/76/31/1141447631.db2.gz GPTVWXGIBKLXMM-JTQLQIEISA-N -1 1 331.865 3.658 20 0 EHADMM Cc1cc2ccccc2n1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339118711 1141502207 /nfs/dbraw/zinc/50/22/07/1141502207.db2.gz FTJONPWGYLXVCO-UHFFFAOYSA-N -1 1 346.390 3.684 20 0 EHADMM Cc1ccccc1-c1cc(NC(=O)c2c(F)ccc([O-])c2F)n(C)n1 ZINC000348847618 1141595677 /nfs/dbraw/zinc/59/56/77/1141595677.db2.gz KKKQXVPPVXGCRF-UHFFFAOYSA-N -1 1 343.333 3.632 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)c2ccccc12 ZINC000035685873 202308382 /nfs/dbraw/zinc/30/83/82/202308382.db2.gz SUFKTLWYHHRRGD-UHFFFAOYSA-N -1 1 327.405 3.958 20 0 EHADMM CN(Cc1cc(Br)cs1)Cc1ccsc1C(=O)[O-] ZINC000104335221 204106693 /nfs/dbraw/zinc/10/66/93/204106693.db2.gz SUCBZIYQICWCOA-UHFFFAOYSA-N -1 1 346.271 3.902 20 0 EHADMM Cc1ccc(C)c(CSc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737322118 598967255 /nfs/dbraw/zinc/96/72/55/598967255.db2.gz IERHPTHLJULLQV-UHFFFAOYSA-N -1 1 348.435 3.719 20 0 EHADMM C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818075598 597088408 /nfs/dbraw/zinc/08/84/08/597088408.db2.gz BOYBBQIRSZBFOZ-VXGBXAGGSA-N -1 1 349.818 3.638 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccccc2OC(F)(F)F)cc1 ZINC000499615559 597136478 /nfs/dbraw/zinc/13/64/78/597136478.db2.gz KVESGBOEZWFBGX-UHFFFAOYSA-N -1 1 325.286 3.573 20 0 EHADMM CC(C)c1nc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2s1 ZINC000820206632 607314167 /nfs/dbraw/zinc/31/41/67/607314167.db2.gz UAKZRIBHNIUHJE-UHFFFAOYSA-N -1 1 340.412 3.805 20 0 EHADMM CC(C)c1nc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2s1 ZINC000820206632 607314168 /nfs/dbraw/zinc/31/41/68/607314168.db2.gz UAKZRIBHNIUHJE-UHFFFAOYSA-N -1 1 340.412 3.805 20 0 EHADMM CC(C)Sc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735921089 599428753 /nfs/dbraw/zinc/42/87/53/599428753.db2.gz IQHUYZDWSZJFGJ-LBPRGKRZSA-N -1 1 340.456 3.935 20 0 EHADMM CC(C)Sc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735921089 599428755 /nfs/dbraw/zinc/42/87/55/599428755.db2.gz IQHUYZDWSZJFGJ-LBPRGKRZSA-N -1 1 340.456 3.935 20 0 EHADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC2(CCCC2)CC1 ZINC000823791999 599568399 /nfs/dbraw/zinc/56/83/99/599568399.db2.gz MEMJRSNLPVCBQJ-UHFFFAOYSA-N -1 1 334.427 3.576 20 0 EHADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC2(CCCC2)CC1 ZINC000823791999 599568402 /nfs/dbraw/zinc/56/84/02/599568402.db2.gz MEMJRSNLPVCBQJ-UHFFFAOYSA-N -1 1 334.427 3.576 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000236866425 600010621 /nfs/dbraw/zinc/01/06/21/600010621.db2.gz LGCARPRPPSKEAG-SFHVURJKSA-N -1 1 340.423 3.715 20 0 EHADMM CC(C)c1ccc(NC(=O)Cc2n[nH]c3ccccc32)c(C(=O)[O-])c1 ZINC000736515461 600073912 /nfs/dbraw/zinc/07/39/12/600073912.db2.gz LPZGWNPJHWDZLR-UHFFFAOYSA-N -1 1 337.379 3.566 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000740076481 600083443 /nfs/dbraw/zinc/08/34/43/600083443.db2.gz ZQTFFPUTJBSKKB-HNNXBMFYSA-N -1 1 349.427 3.767 20 0 EHADMM Cc1cc(C)cc(OCCCN2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000326214829 600110358 /nfs/dbraw/zinc/11/03/58/600110358.db2.gz YHDXLBVSQYJLQC-UHFFFAOYSA-N -1 1 325.408 3.786 20 0 EHADMM CCC[C@@](C)(NCC(=O)N(c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000736960697 600153926 /nfs/dbraw/zinc/15/39/26/600153926.db2.gz ORJHUVDCXYNGMP-HXUWFJFHSA-N -1 1 346.471 3.585 20 0 EHADMM CC(C)COc1ccccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736447740 600427198 /nfs/dbraw/zinc/42/71/98/600427198.db2.gz FTVLZRSPPRWPOW-SFHVURJKSA-N -1 1 331.387 3.776 20 0 EHADMM O=C([O-])[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1F ZINC000833169574 600834060 /nfs/dbraw/zinc/83/40/60/600834060.db2.gz KDLPLTXQKWNOLG-ZDUSSCGKSA-N -1 1 329.356 3.529 20 0 EHADMM O=C([O-])c1sccc1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000571453626 601811262 /nfs/dbraw/zinc/81/12/62/601811262.db2.gz VJLRZZJCJCFIND-MRXNPFEDSA-N -1 1 349.427 3.767 20 0 EHADMM Cc1cccc(-c2nnc([C@H](C)N3CCC(CCC(=O)[O-])CC3)o2)c1 ZINC000832960968 601840570 /nfs/dbraw/zinc/84/05/70/601840570.db2.gz OQDHCDXJDKITNT-AWEZNQCLSA-N -1 1 343.427 3.683 20 0 EHADMM O=C([O-])CCC1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000050926196 601842497 /nfs/dbraw/zinc/84/24/97/601842497.db2.gz LPDXOEBDGPOSKD-UHFFFAOYSA-N -1 1 344.224 3.665 20 0 EHADMM Cc1ccc(C=Cc2n[nH]c(SCc3ccc(C(=O)[O-])s3)n2)o1 ZINC000832927854 601893377 /nfs/dbraw/zinc/89/33/77/601893377.db2.gz CJCKSFXUEAZNBS-QPJJXVBHSA-N -1 1 347.421 3.929 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000833024506 601911425 /nfs/dbraw/zinc/91/14/25/601911425.db2.gz HNZHQBCWMSGQSH-UHFFFAOYSA-N -1 1 343.301 3.817 20 0 EHADMM C[C@H](CCc1ccccc1)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000824414270 607533707 /nfs/dbraw/zinc/53/37/07/607533707.db2.gz YOEGRAHOEVMZRC-CYBMUJFWSA-N -1 1 325.441 3.516 20 0 EHADMM C[C@H](CCc1ccccc1)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000824414270 607533708 /nfs/dbraw/zinc/53/37/08/607533708.db2.gz YOEGRAHOEVMZRC-CYBMUJFWSA-N -1 1 325.441 3.516 20 0 EHADMM CC[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000825159777 607535307 /nfs/dbraw/zinc/53/53/07/607535307.db2.gz UEDVUDLQMZZECO-HNNXBMFYSA-N -1 1 347.394 3.924 20 0 EHADMM CC[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000825159777 607535309 /nfs/dbraw/zinc/53/53/09/607535309.db2.gz UEDVUDLQMZZECO-HNNXBMFYSA-N -1 1 347.394 3.924 20 0 EHADMM c1ccc2cc(CCSCc3ccnc(-c4nnn[n-]4)c3)ccc2c1 ZINC000826524328 607536866 /nfs/dbraw/zinc/53/68/66/607536866.db2.gz QWLMTTKRHWPHKH-UHFFFAOYSA-N -1 1 347.447 3.891 20 0 EHADMM c1ccc2cc(CCSCc3ccnc(-c4nn[n-]n4)c3)ccc2c1 ZINC000826524328 607536868 /nfs/dbraw/zinc/53/68/68/607536868.db2.gz QWLMTTKRHWPHKH-UHFFFAOYSA-N -1 1 347.447 3.891 20 0 EHADMM CCOC1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000652394289 602035913 /nfs/dbraw/zinc/03/59/13/602035913.db2.gz VQCWPRFTFGSXPO-CQSZACIVSA-N -1 1 332.227 3.620 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@H]2CC(=O)c2cccs2)cc1F ZINC000833093973 602239226 /nfs/dbraw/zinc/23/92/26/602239226.db2.gz NVXORLICMPHSKF-ZDUSSCGKSA-N -1 1 347.411 3.823 20 0 EHADMM CC(C)(CCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)NC(=O)[O-] ZINC000738743412 602827824 /nfs/dbraw/zinc/82/78/24/602827824.db2.gz JKYQXAKIEPUVHB-UHFFFAOYSA-N -1 1 344.415 3.595 20 0 EHADMM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc(-c3cccs3)n[nH]2)n1 ZINC000738818493 603000716 /nfs/dbraw/zinc/00/07/16/603000716.db2.gz YLJQIMZCTRUNAC-SNVBAGLBSA-N -1 1 347.400 3.543 20 0 EHADMM CSc1ccc(F)cc1CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000829766249 603865388 /nfs/dbraw/zinc/86/53/88/603865388.db2.gz FUMOCROFCWPZMX-UHFFFAOYSA-N -1 1 346.427 3.878 20 0 EHADMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263535781 604556868 /nfs/dbraw/zinc/55/68/68/604556868.db2.gz ZCCUQDSBQHDPMT-UHFFFAOYSA-N -1 1 330.409 3.851 20 0 EHADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@H]2c2nc3ccccc3s2)O1 ZINC000833585451 604824204 /nfs/dbraw/zinc/82/42/04/604824204.db2.gz SMFHHVODYLBQGV-WFASDCNBSA-N -1 1 344.436 3.581 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(F)c(Br)c1 ZINC000827741042 605132897 /nfs/dbraw/zinc/13/28/97/605132897.db2.gz HAZYFDFDERKUQL-MRVPVSSYSA-N -1 1 342.164 3.730 20 0 EHADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000833812822 605601272 /nfs/dbraw/zinc/60/12/72/605601272.db2.gz LYDLECVHOFIFJM-ZFWWWQNUSA-N -1 1 345.468 3.678 20 0 EHADMM O=C([O-])N[C@@H](CN[C@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000834150001 605621237 /nfs/dbraw/zinc/62/12/37/605621237.db2.gz KERUKDKFNFRQBN-VQTJNVASSA-N -1 1 347.418 3.770 20 0 EHADMM Cc1occc1CN[C@@H](c1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000833939322 605982583 /nfs/dbraw/zinc/98/25/83/605982583.db2.gz SHAWHMPYNXTUHV-SFHVURJKSA-N -1 1 346.402 3.948 20 0 EHADMM COc1ccc2nc(C=Cc3ccc(-c4nn[n-]n4)s3)sc2c1 ZINC000821854693 606388402 /nfs/dbraw/zinc/38/84/02/606388402.db2.gz RUVDXVNPHZHORZ-DAXSKMNVSA-N -1 1 341.421 3.717 20 0 EHADMM Cc1nc2ccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2s1 ZINC000822462015 606440641 /nfs/dbraw/zinc/44/06/41/606440641.db2.gz CAXOPBFYDBAMKU-UHFFFAOYSA-N -1 1 343.803 3.577 20 0 EHADMM Cc1nc2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2s1 ZINC000822462015 606440642 /nfs/dbraw/zinc/44/06/42/606440642.db2.gz CAXOPBFYDBAMKU-UHFFFAOYSA-N -1 1 343.803 3.577 20 0 EHADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1CC1CCCCC1 ZINC000823482886 606540702 /nfs/dbraw/zinc/54/07/02/606540702.db2.gz BLAGAKPPCPJNRU-CYBMUJFWSA-N -1 1 345.472 3.503 20 0 EHADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1CC1CCCCC1 ZINC000823482886 606540704 /nfs/dbraw/zinc/54/07/04/606540704.db2.gz BLAGAKPPCPJNRU-CYBMUJFWSA-N -1 1 345.472 3.503 20 0 EHADMM CCc1nnc(Oc2ccc(C)cc2Cl)c(-c2nnn[n-]2)c1CC ZINC000821548163 606938953 /nfs/dbraw/zinc/93/89/53/606938953.db2.gz IYRSOPIHOVHVAE-UHFFFAOYSA-N -1 1 344.806 3.536 20 0 EHADMM CCc1nnc(Oc2ccc(C)cc2Cl)c(-c2nn[n-]n2)c1CC ZINC000821548163 606938954 /nfs/dbraw/zinc/93/89/54/606938954.db2.gz IYRSOPIHOVHVAE-UHFFFAOYSA-N -1 1 344.806 3.536 20 0 EHADMM FC(F)(F)CCc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826367646 607901892 /nfs/dbraw/zinc/90/18/92/607901892.db2.gz IKSXLSPRUGDODE-UHFFFAOYSA-N -1 1 334.305 3.500 20 0 EHADMM FC(F)(F)CCc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826367646 607901893 /nfs/dbraw/zinc/90/18/93/607901893.db2.gz IKSXLSPRUGDODE-UHFFFAOYSA-N -1 1 334.305 3.500 20 0 EHADMM Cc1cccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)c1 ZINC000826295977 607930551 /nfs/dbraw/zinc/93/05/51/607930551.db2.gz FSRXENATYVBAJS-UHFFFAOYSA-N -1 1 341.440 3.786 20 0 EHADMM Cc1cccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)c1 ZINC000826295977 607930552 /nfs/dbraw/zinc/93/05/52/607930552.db2.gz FSRXENATYVBAJS-UHFFFAOYSA-N -1 1 341.440 3.786 20 0 EHADMM Clc1nsc(Sc2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC000826354504 608171242 /nfs/dbraw/zinc/17/12/42/608171242.db2.gz HVSVGNLEZFFKCV-UHFFFAOYSA-N -1 1 335.845 3.617 20 0 EHADMM Clc1nsc(Sc2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC000826354504 608171243 /nfs/dbraw/zinc/17/12/43/608171243.db2.gz HVSVGNLEZFFKCV-UHFFFAOYSA-N -1 1 335.845 3.617 20 0 EHADMM CCCOc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000825341349 608193725 /nfs/dbraw/zinc/19/37/25/608193725.db2.gz AMULEVMPZNQNQL-UHFFFAOYSA-N -1 1 336.808 3.509 20 0 EHADMM CCCOc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000825341349 608193727 /nfs/dbraw/zinc/19/37/27/608193727.db2.gz AMULEVMPZNQNQL-UHFFFAOYSA-N -1 1 336.808 3.509 20 0 EHADMM c1ccc([C@H](CC2CCCCC2)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520810 608411179 /nfs/dbraw/zinc/41/11/79/608411179.db2.gz RVBCHRLDEKWYIW-KRWDZBQOSA-N -1 1 349.442 3.780 20 0 EHADMM c1ccc([C@H](CC2CCCCC2)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520810 608411180 /nfs/dbraw/zinc/41/11/80/608411180.db2.gz RVBCHRLDEKWYIW-KRWDZBQOSA-N -1 1 349.442 3.780 20 0 EHADMM Cc1ccc2c(c1)[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)C2 ZINC000826294401 609570302 /nfs/dbraw/zinc/57/03/02/609570302.db2.gz QLDLGBLHJAKGGK-PRHODGIISA-N -1 1 346.847 3.630 20 0 EHADMM Cc1ccc2c(c1)[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)C2 ZINC000826294401 609570305 /nfs/dbraw/zinc/57/03/05/609570305.db2.gz QLDLGBLHJAKGGK-PRHODGIISA-N -1 1 346.847 3.630 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2[nH]1 ZINC000328096428 971446139 /nfs/dbraw/zinc/44/61/39/971446139.db2.gz ZWMKFDRIEYHANK-NEPJUHHUSA-N -1 1 343.427 3.690 20 0 EHADMM C[C@H]1CN(Cc2cc(Cl)ccc2Br)CC[C@H]1C(=O)[O-] ZINC000311349234 950733281 /nfs/dbraw/zinc/73/32/81/950733281.db2.gz DJZCPCYLMAOIFI-JOYOIKCWSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2)CC[C@H]1C(=O)[O-] ZINC001589400292 954416172 /nfs/dbraw/zinc/41/61/72/954416172.db2.gz ZZWNTSAITDKNGD-NOZJJQNGSA-N -1 1 346.652 3.645 20 0 EHADMM COC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000903685288 956865673 /nfs/dbraw/zinc/86/56/73/956865673.db2.gz QEICWCJFDUQQAS-ZDUSSCGKSA-N -1 1 325.817 3.577 20 0 EHADMM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2O)ccc1Cl ZINC000037403852 957275681 /nfs/dbraw/zinc/27/56/81/957275681.db2.gz YZXHVINYPYZHBR-UHFFFAOYSA-N -1 1 326.135 3.650 20 0 EHADMM Cc1oc(CN(C)Cc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000048882223 957469081 /nfs/dbraw/zinc/46/90/81/957469081.db2.gz FTNQJVXBLYNJDX-UHFFFAOYSA-N -1 1 338.201 3.681 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(C(=O)c3cccs3)CC2)cc1 ZINC001347985635 958078672 /nfs/dbraw/zinc/07/86/72/958078672.db2.gz DMZAMVZWRHBNCY-UHFFFAOYSA-N -1 1 329.421 3.541 20 0 EHADMM Cc1ccc(Br)c(F)c1CN1CCC(C)(C(=O)[O-])CC1 ZINC001594342136 958298767 /nfs/dbraw/zinc/29/87/67/958298767.db2.gz NOFLTYSHWGVMTI-UHFFFAOYSA-N -1 1 344.224 3.583 20 0 EHADMM COc1cccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2F)c1 ZINC001231458492 960609458 /nfs/dbraw/zinc/60/94/58/960609458.db2.gz KAUQKOQDYIGHIQ-SFHVURJKSA-N -1 1 329.371 3.870 20 0 EHADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(Br)c2)o1 ZINC000263449698 962636366 /nfs/dbraw/zinc/63/63/66/962636366.db2.gz ZBMFHKCRCXPLBO-SNVBAGLBSA-N -1 1 338.201 3.614 20 0 EHADMM CC(C)c1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])nn2C)cc1 ZINC001588966832 962649925 /nfs/dbraw/zinc/64/99/25/962649925.db2.gz NBFKSTKTODZXNC-SFHVURJKSA-N -1 1 327.428 3.579 20 0 EHADMM C[C@H]1CN(Cc2ccc(Cl)cc2Br)CC[C@H]1C(=O)[O-] ZINC000311381178 963476215 /nfs/dbraw/zinc/47/62/15/963476215.db2.gz NBCUUCRFDKTIBJ-JOYOIKCWSA-N -1 1 346.652 3.645 20 0 EHADMM Cc1scc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1C ZINC001605467213 973572007 /nfs/dbraw/zinc/57/20/07/973572007.db2.gz UQDNORYVMNNVKE-CQSZACIVSA-N -1 1 348.468 3.549 20 0 EHADMM O=C([O-])C1(NCC(=O)Nc2ccc3ccccc3c2)CCCCCC1 ZINC001605698975 974122965 /nfs/dbraw/zinc/12/29/65/974122965.db2.gz WUEURGNFOAIEBG-UHFFFAOYSA-N -1 1 340.423 3.546 20 0 EHADMM CCOC(=O)[C@@H](CC)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000600135796 1014177276 /nfs/dbraw/zinc/17/72/76/1014177276.db2.gz LYQBNDUXNVXOLK-JTQLQIEISA-N -1 1 335.787 3.727 20 0 EHADMM COc1cc2c(cc1Cl)CN(CCc1ccccc1C(=O)[O-])CC2 ZINC000519548308 974329896 /nfs/dbraw/zinc/32/98/96/974329896.db2.gz LQADYSYOTQLXLX-UHFFFAOYSA-N -1 1 345.826 3.648 20 0 EHADMM Cc1ccc(C(=O)C2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000520416441 974338238 /nfs/dbraw/zinc/33/82/38/974338238.db2.gz CRJKBSROLPOJGY-AWEZNQCLSA-N -1 1 341.407 3.942 20 0 EHADMM Cc1cc(Br)c(CN2CC[C@H](C(=O)[O-])[C@H]2C)cc1Cl ZINC000530166796 974360207 /nfs/dbraw/zinc/36/02/07/974360207.db2.gz VGNXXZJMDVCZTM-KOLCDFICSA-N -1 1 346.652 3.706 20 0 EHADMM O=C([O-])CC1CCN(Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000563967282 974542518 /nfs/dbraw/zinc/54/25/18/974542518.db2.gz SQMJUKSABIRLFX-UHFFFAOYSA-N -1 1 337.847 3.816 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1Cl ZINC000580206061 974890505 /nfs/dbraw/zinc/89/05/05/974890505.db2.gz NDTLSJQRFFRZBQ-HNNXBMFYSA-N -1 1 331.799 3.692 20 0 EHADMM CC(C)COC1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000652398819 975522650 /nfs/dbraw/zinc/52/26/50/975522650.db2.gz APJVSKKNYMSQCM-UHFFFAOYSA-N -1 1 325.836 3.675 20 0 EHADMM CC(C)Oc1c(NC(=O)c2ccc(Cl)cc2O)cccc1C(=O)[O-] ZINC001591746923 975787409 /nfs/dbraw/zinc/78/74/09/975787409.db2.gz VIMKQRLTFIQJAD-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM O=C([O-])[C@@H](NC/C=C\c1ccc(F)cc1F)c1cc(F)ccc1F ZINC000756365058 978699716 /nfs/dbraw/zinc/69/97/16/978699716.db2.gz QXVJPOUWOMOAMO-AIMAZDRCSA-N -1 1 339.288 3.672 20 0 EHADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@@H](C)C(C)(C)C)CC2 ZINC000872159266 980044014 /nfs/dbraw/zinc/04/40/14/980044014.db2.gz CASVNDWMRXDXFW-CZUORRHYSA-N -1 1 349.471 3.760 20 0 EHADMM C/C(=C\c1cccc(C(F)(F)F)c1)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000901520027 980337007 /nfs/dbraw/zinc/33/70/07/980337007.db2.gz UFPHJUWBKSEPIO-XKOZXHHJSA-N -1 1 331.309 3.607 20 0 EHADMM O=C([O-])c1coc(CN[C@@H]2CCc3c2cccc3Br)c1 ZINC000901953724 980649074 /nfs/dbraw/zinc/64/90/74/980649074.db2.gz DGYYJHXUSOUUDR-CQSZACIVSA-N -1 1 336.185 3.517 20 0 EHADMM Cc1cc(CN[C@@H](C)c2ccc(OC(F)F)cc2)oc1C(=O)[O-] ZINC000902115945 980742023 /nfs/dbraw/zinc/74/20/23/980742023.db2.gz GPHGNCFSIMSNKA-JTQLQIEISA-N -1 1 325.311 3.738 20 0 EHADMM CCc1oc(CNC2(c3cccc(OC)c3)CCC2)cc1C(=O)[O-] ZINC000902372446 980859299 /nfs/dbraw/zinc/85/92/99/980859299.db2.gz IRSPTTQQHXZMCA-UHFFFAOYSA-N -1 1 329.396 3.718 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(C(C)(C)C)s2)cc1 ZINC000683171024 1014712017 /nfs/dbraw/zinc/71/20/17/1014712017.db2.gz DTDNPRKJSQYPJJ-OAHLLOKOSA-N -1 1 348.468 3.755 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)cc2Cl)cc1 ZINC000683171419 1014727164 /nfs/dbraw/zinc/72/71/64/1014727164.db2.gz KHXVZLDCYLYASS-MRXNPFEDSA-N -1 1 337.778 3.793 20 0 EHADMM Cc1[nH]c(C(=O)CN2C[C@@H](C)C[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599943890 985491256 /nfs/dbraw/zinc/49/12/56/985491256.db2.gz HEPRLZONCIFPNF-BLLLJJGKSA-N -1 1 340.423 3.596 20 0 EHADMM Cc1c(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)ccc2cncn21 ZINC001599975207 986079482 /nfs/dbraw/zinc/07/94/82/986079482.db2.gz ICQHOCSTGHUVQG-UHFFFAOYSA-N -1 1 349.390 3.540 20 0 EHADMM C[C@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)Cc2ccccc2O1 ZINC001594547467 986226981 /nfs/dbraw/zinc/22/69/81/986226981.db2.gz KLQXUMGQTKLCIR-AWEZNQCLSA-N -1 1 348.402 3.716 20 0 EHADMM Cc1c(C(=O)[O-])cc(CN(Cc2ccc(Cl)cc2)C2CC2)n1C ZINC001599986408 986231460 /nfs/dbraw/zinc/23/14/60/986231460.db2.gz AVDNWTKENHFSHD-UHFFFAOYSA-N -1 1 332.831 3.850 20 0 EHADMM CC[C@@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc(C)c(F)c1 ZINC001597291522 987378272 /nfs/dbraw/zinc/37/82/72/987378272.db2.gz KGJHZRAFDCDRGO-MRXNPFEDSA-N -1 1 344.386 3.512 20 0 EHADMM CCc1[nH]c(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cc1C(=O)[O-] ZINC001597391727 987622810 /nfs/dbraw/zinc/62/28/10/987622810.db2.gz MSOKWZDQAPRYNG-QGZVFWFLSA-N -1 1 340.423 3.811 20 0 EHADMM CC(C)(C)[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC001589723307 987899360 /nfs/dbraw/zinc/89/93/60/987899360.db2.gz VPBBYOYXCAHVBD-JTQLQIEISA-N -1 1 325.821 3.717 20 0 EHADMM CCc1ccc(CN[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)nc1 ZINC001597530304 988184006 /nfs/dbraw/zinc/18/40/06/988184006.db2.gz WNRUUUMZQJBTLS-GOSISDBHSA-N -1 1 332.831 3.777 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@](F)(c2ccccc2C)C1 ZINC001597762703 989199425 /nfs/dbraw/zinc/19/94/25/989199425.db2.gz JPSAXIRBIROMOQ-LJQANCHMSA-N -1 1 331.387 3.919 20 0 EHADMM CC(C)[C@H](NCc1cccc(OCC(=O)[O-])c1)c1cc(F)ccc1F ZINC001591031275 991339945 /nfs/dbraw/zinc/33/99/45/991339945.db2.gz XRXAXPKWOPGQRL-IBGZPJMESA-N -1 1 349.377 3.915 20 0 EHADMM CC(C)Cc1ccccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001591488648 992616807 /nfs/dbraw/zinc/61/68/07/992616807.db2.gz HZJSKWNYJAXPEZ-UHFFFAOYSA-N -1 1 337.379 3.712 20 0 EHADMM C[C@H](NC(=O)c1cncc([O-])c1)C(c1ccccc1)c1ccccc1 ZINC000339833952 1015725453 /nfs/dbraw/zinc/72/54/53/1015725453.db2.gz NQDRMRODRYBOMY-HNNXBMFYSA-N -1 1 332.403 3.738 20 0 EHADMM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1Cc2ccccc2C1 ZINC001598534292 992831760 /nfs/dbraw/zinc/83/17/60/992831760.db2.gz SZXOXYPSHYVMHX-UHFFFAOYSA-N -1 1 348.402 3.639 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc(Cl)ccn1 ZINC000339849030 1015750886 /nfs/dbraw/zinc/75/08/86/1015750886.db2.gz DRAGXYFFCWSXOY-UHFFFAOYSA-N -1 1 339.207 3.514 20 0 EHADMM O=C(NCc1ccncc1C(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000547740015 1015762060 /nfs/dbraw/zinc/76/20/60/1015762060.db2.gz HXCKNNTYQNDMLM-UHFFFAOYSA-N -1 1 346.308 3.889 20 0 EHADMM C[C@H](N[C@@H](c1ccccc1)C1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001593210769 994254302 /nfs/dbraw/zinc/25/43/02/994254302.db2.gz RTQPPVGOEPBGCH-LRDDRELGSA-N -1 1 346.452 3.660 20 0 EHADMM COc1ccc(N(C)C(=O)c2ccc3ccccc3c2[O-])cc1OC ZINC000536686664 1032130398 /nfs/dbraw/zinc/13/03/98/1032130398.db2.gz LEDGKTZJWVWUSM-UHFFFAOYSA-N -1 1 337.375 3.839 20 0 EHADMM C[C@@H](NCCOc1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001593272554 994612364 /nfs/dbraw/zinc/61/23/64/994612364.db2.gz 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3.824 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Br)cc2F)C1 ZINC000062877669 1032885501 /nfs/dbraw/zinc/88/55/01/1032885501.db2.gz CUXALKDTCGGRRA-HNNXBMFYSA-N -1 1 344.224 3.665 20 0 EHADMM Cc1cncc(/C=C\C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000588396288 1020296036 /nfs/dbraw/zinc/29/60/36/1020296036.db2.gz MPRRXZSRQKCPQE-ARJAWSKDSA-N -1 1 347.212 3.818 20 0 EHADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cccc(Cl)c1 ZINC000048230761 1020383313 /nfs/dbraw/zinc/38/33/13/1020383313.db2.gz WWWMWQQKEDUNTN-UHFFFAOYSA-N -1 1 334.784 3.796 20 0 EHADMM CC(C)n1c(CNC(=O)CC(C)(C)c2ccccc2)n[n-]c1=S ZINC000066639340 1020565399 /nfs/dbraw/zinc/56/53/99/1020565399.db2.gz YLZWARAWFRRLEU-UHFFFAOYSA-N -1 1 332.473 3.506 20 0 EHADMM CC(C)(C)c1cccc([N-]S(=O)(=O)CCc2cccs2)c1O ZINC000581342487 1020716113 /nfs/dbraw/zinc/71/61/13/1020716113.db2.gz RNIGRXIAIRTGRZ-UHFFFAOYSA-N -1 1 339.482 3.736 20 0 EHADMM O=C([O-])C[C@H](NCc1cccc(OC2CC2)c1F)c1ccsc1 ZINC000656564327 1020927311 /nfs/dbraw/zinc/92/73/11/1020927311.db2.gz 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CC(C)c1ccc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c([O-])c1 ZINC000436798810 1021220255 /nfs/dbraw/zinc/22/02/55/1021220255.db2.gz VRRIOJZOHPWEOM-UHFFFAOYSA-N -1 1 336.395 3.563 20 0 EHADMM Cc1ccnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c1C1CC1 ZINC000656739671 1021235261 /nfs/dbraw/zinc/23/52/61/1021235261.db2.gz RAADZCWMHRRGBA-UHFFFAOYSA-N -1 1 336.844 3.863 20 0 EHADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(F)cc1[O-] ZINC000436814124 1021257224 /nfs/dbraw/zinc/25/72/24/1021257224.db2.gz ROZHMPDMLOIZDU-NSHDSACASA-N -1 1 342.374 3.808 20 0 EHADMM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000436829765 1021262907 /nfs/dbraw/zinc/26/29/07/1021262907.db2.gz MQXVLAUBYPFRMH-YVEFUNNKSA-N -1 1 329.371 3.763 20 0 EHADMM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000436831704 1021264755 /nfs/dbraw/zinc/26/47/55/1021264755.db2.gz GAWNJJAIAJWRGS-INIZCTEOSA-N -1 1 337.778 3.644 20 0 EHADMM C[C@H](Cn1ncc2ccccc21)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436877038 1021309492 /nfs/dbraw/zinc/30/94/92/1021309492.db2.gz CWEANTGMOHHJFW-LLVKDONJSA-N -1 1 338.342 3.735 20 0 EHADMM Cn1c2ccccc2nc1C(C)(C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436872492 1021315960 /nfs/dbraw/zinc/31/59/60/1021315960.db2.gz PYAPTPYPNRJQSY-UHFFFAOYSA-N -1 1 343.814 3.597 20 0 EHADMM Cc1ccc2c(c1)CC[C@@H](c1nc(-c3ccc([O-])c(F)c3)no1)O2 ZINC000436880227 1021329651 /nfs/dbraw/zinc/32/96/51/1021329651.db2.gz QDYYICKLAUJUAT-INIZCTEOSA-N -1 1 326.327 3.956 20 0 EHADMM O=C(Nc1ccc(CO)c(Cl)c1)c1ccc2ccccc2c1[O-] ZINC000436918487 1021377490 /nfs/dbraw/zinc/37/74/90/1021377490.db2.gz IOMPQKOORJLHGA-UHFFFAOYSA-N -1 1 327.767 3.943 20 0 EHADMM COc1ccc(-c2nc(-c3cccc(CSC)c3)no2)c([O-])c1 ZINC000436923109 1021381519 /nfs/dbraw/zinc/38/15/19/1021381519.db2.gz AZOOCIQTEYBSKV-UHFFFAOYSA-N -1 1 328.393 3.981 20 0 EHADMM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(Cl)ccc1[O-] ZINC000436941231 1021401101 /nfs/dbraw/zinc/40/11/01/1021401101.db2.gz PDJIGAMCEPTSDH-YOEHRIQHSA-N -1 1 349.789 3.835 20 0 EHADMM Cc1ccc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC000436958257 1021421083 /nfs/dbraw/zinc/42/10/83/1021421083.db2.gz FSSDGZBGQXRBRI-UHFFFAOYSA-N -1 1 338.329 3.780 20 0 EHADMM Cc1csc([C@@H](C)CNC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000436981617 1021438862 /nfs/dbraw/zinc/43/88/62/1021438862.db2.gz REJLTBGBGHKVJQ-QMMMGPOBSA-N -1 1 344.358 3.709 20 0 EHADMM COc1ccc(Cl)cc1Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000436995426 1021451737 /nfs/dbraw/zinc/45/17/37/1021451737.db2.gz HZNNMKUFQKUBKR-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM O=C(C(=O)N1CCCC[C@@H]1CCc1ccccc1)c1ccc([O-])cc1 ZINC000436984784 1021456329 /nfs/dbraw/zinc/45/63/29/1021456329.db2.gz NJRBYPAZZFUYHP-GOSISDBHSA-N -1 1 337.419 3.589 20 0 EHADMM COCCCC[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000437006608 1021462271 /nfs/dbraw/zinc/46/22/71/1021462271.db2.gz YJHHOAPYSGAPDH-SFHVURJKSA-N -1 1 331.387 3.819 20 0 EHADMM COCc1ncsc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000341429927 1021864666 /nfs/dbraw/zinc/86/46/66/1021864666.db2.gz 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3.526 20 0 EHADMM CO[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCCCC1 ZINC001167980495 1022774042 /nfs/dbraw/zinc/77/40/42/1022774042.db2.gz PAHVRXCMRJLCHX-HNNXBMFYSA-N -1 1 345.361 3.736 20 0 EHADMM Cc1ccc(F)c(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c1 ZINC000039549021 1033085706 /nfs/dbraw/zinc/08/57/06/1033085706.db2.gz VRWBHJQBGWHJPT-UHFFFAOYSA-N -1 1 348.428 3.755 20 0 EHADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CC[C@@H]1c1ccccc1 ZINC000518008318 1022918024 /nfs/dbraw/zinc/91/80/24/1022918024.db2.gz VRHXZJMHXJKVJZ-OCCSQVGLSA-N -1 1 331.362 3.936 20 0 EHADMM Cc1cc(CNCc2cc(C(=O)[O-])co2)ccc1Oc1cccnc1 ZINC000426715250 1022982660 /nfs/dbraw/zinc/98/26/60/1022982660.db2.gz QLZFZFHENNQUNQ-UHFFFAOYSA-N -1 1 338.363 3.763 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000438814895 1023011798 /nfs/dbraw/zinc/01/17/98/1023011798.db2.gz OLSAKPQJOKIRJI-UHFFFAOYSA-N -1 1 337.416 3.970 20 0 EHADMM COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000189483163 1023037869 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O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1ocnc1C1CC1 ZINC000341938656 1023710042 /nfs/dbraw/zinc/71/00/42/1023710042.db2.gz GMJIJPHAQVLFDA-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000341949836 1023716045 /nfs/dbraw/zinc/71/60/45/1023716045.db2.gz WXINVXJIESIAQA-UHFFFAOYSA-N -1 1 340.404 3.685 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[nH]1 ZINC000588481212 1023905867 /nfs/dbraw/zinc/90/58/67/1023905867.db2.gz JFTUCEPDQDYWKT-SREVYHEPSA-N -1 1 325.821 3.599 20 0 EHADMM Cc1csc2nc(-c3cnc(Oc4ccccc4)cn3)[n-]c(=O)c12 ZINC000181355717 1023906705 /nfs/dbraw/zinc/90/67/05/1023906705.db2.gz NWIHFXIJSUYTFB-UHFFFAOYSA-N -1 1 336.376 3.542 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccoc1Cl ZINC000434358575 1023975031 /nfs/dbraw/zinc/97/50/31/1023975031.db2.gz HMZUYTXIYHERGB-UHFFFAOYSA-N -1 1 328.180 3.712 20 0 EHADMM CCC[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1nn[n-]n1 ZINC000434790347 1024429261 /nfs/dbraw/zinc/42/92/61/1024429261.db2.gz TWNZQFYYQMVKBO-INIZCTEOSA-N -1 1 327.432 3.519 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000092763794 1024488633 /nfs/dbraw/zinc/48/86/33/1024488633.db2.gz PEXGULZJQSLZSF-UHFFFAOYSA-N -1 1 331.799 3.804 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc2cccnc21 ZINC000427626377 1024491039 /nfs/dbraw/zinc/49/10/39/1024491039.db2.gz ORVPCWNRUZDSIC-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc4ccccc4c3)[nH]c2c1 ZINC000427645949 1024655621 /nfs/dbraw/zinc/65/56/21/1024655621.db2.gz GKCPUNIILQPPDN-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895605675 1024663748 /nfs/dbraw/zinc/66/37/48/1024663748.db2.gz SLVZVQUPOGISAB-GOSISDBHSA-N -1 1 336.391 3.567 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1Cl ZINC000508032094 1024843523 /nfs/dbraw/zinc/84/35/23/1024843523.db2.gz IVVCGBFCVPMMFJ-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c(Cl)c1 ZINC000474410805 1024915902 /nfs/dbraw/zinc/91/59/02/1024915902.db2.gz ITKKEAOJEBRJOK-UHFFFAOYSA-N -1 1 341.864 3.761 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1C ZINC000435721701 1025105676 /nfs/dbraw/zinc/10/56/76/1025105676.db2.gz JMLSCZJPILSBMI-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM CCn1nc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1C1CC1 ZINC001149319401 1025122179 /nfs/dbraw/zinc/12/21/79/1025122179.db2.gz AHZVRFPRRIXPRB-UHFFFAOYSA-N -1 1 339.317 3.757 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1cc(F)ccc1F ZINC000442242936 1025223380 /nfs/dbraw/zinc/22/33/80/1025223380.db2.gz NFVHYAFBFDEYHK-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM CCOc1cc(-c2noc(-c3cc(CC)on3)n2)cc(Cl)c1[O-] ZINC000896206115 1025237628 /nfs/dbraw/zinc/23/76/28/1025237628.db2.gz YPAXBILZRLPSNL-UHFFFAOYSA-N -1 1 335.747 3.712 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3CCS[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000896247587 1025277576 /nfs/dbraw/zinc/27/75/76/1025277576.db2.gz UWRSEAGASLAELR-QMTHXVAHSA-N -1 1 330.457 3.557 20 0 EHADMM CC1(C)C[C@H](NC(=O)NCc2ccc([O-])c(Cl)c2)CCS1 ZINC000896310686 1025344217 /nfs/dbraw/zinc/34/42/17/1025344217.db2.gz GQAXYTYGHGVJTK-LLVKDONJSA-N -1 1 328.865 3.519 20 0 EHADMM Cc1nc2ccccc2nc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000515559740 1025368092 /nfs/dbraw/zinc/36/80/92/1025368092.db2.gz UZWNXXSJNCYBEK-UHFFFAOYSA-N -1 1 334.351 3.664 20 0 EHADMM O=C([O-])c1ccc(Cl)c(CN2CCC(OC3CCCC3)CC2)c1 ZINC000521633501 1025535112 /nfs/dbraw/zinc/53/51/12/1025535112.db2.gz CWXZHAZQYLONTM-UHFFFAOYSA-N -1 1 337.847 3.962 20 0 EHADMM COc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)cc(Cl)c1[O-] ZINC000347175438 1025618291 /nfs/dbraw/zinc/61/82/91/1025618291.db2.gz DSPFBQFHIZXLGF-HNNXBMFYSA-N -1 1 331.799 3.814 20 0 EHADMM COc1cc(C(=O)Nc2ccc3c(c2)CCCO3)cc(Cl)c1[O-] ZINC000442970487 1025630536 /nfs/dbraw/zinc/63/05/36/1025630536.db2.gz VUBWZGYBKOJBAD-UHFFFAOYSA-N -1 1 333.771 3.632 20 0 EHADMM COc1cc(C(=O)NC[C@@H](C)c2cccc(C)c2)cc(Cl)c1[O-] ZINC000442980985 1025644137 /nfs/dbraw/zinc/64/41/37/1025644137.db2.gz SSETYVYMCWDUTO-GFCCVEGCSA-N -1 1 333.815 3.896 20 0 EHADMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451212046 1025682438 /nfs/dbraw/zinc/68/24/38/1025682438.db2.gz NZLFGMCYZFXZLS-QWHCGFSZSA-N -1 1 343.445 3.524 20 0 EHADMM C[C@@H]1CCCC[C@@H]1OCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000522831116 1025733369 /nfs/dbraw/zinc/73/33/69/1025733369.db2.gz JEWNBNOCBYCUEY-ZJUUUORDSA-N -1 1 336.379 3.888 20 0 EHADMM COc1cc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)cc(Cl)c1[O-] ZINC000443122914 1025740328 /nfs/dbraw/zinc/74/03/28/1025740328.db2.gz ILXSDWWOICIQTG-SNVBAGLBSA-N -1 1 347.798 3.914 20 0 EHADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1ccc(Br)cc1 ZINC001227383554 1025763713 /nfs/dbraw/zinc/76/37/13/1025763713.db2.gz PCVVBNHRJAJNHJ-ZETCQYMHSA-N -1 1 329.194 3.807 20 0 EHADMM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000436490502 1025792627 /nfs/dbraw/zinc/79/26/27/1025792627.db2.gz XUDQUMASBQFPND-UHFFFAOYSA-N -1 1 349.789 3.620 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(SC3CC3)cc2)c1 ZINC000436502113 1025794987 /nfs/dbraw/zinc/79/49/87/1025794987.db2.gz GFXFHBMQZDFPMB-UHFFFAOYSA-N -1 1 343.404 3.686 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc3c2ccn(C)c3=O)c([O-])c1 ZINC000436511407 1025807645 /nfs/dbraw/zinc/80/76/45/1025807645.db2.gz VWYCHMVVZLHHLL-UHFFFAOYSA-N -1 1 336.391 3.620 20 0 EHADMM C[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@H](C)C1 ZINC000436513793 1025812087 /nfs/dbraw/zinc/81/20/87/1025812087.db2.gz NBRNBBNQXJRINA-WDEREUQCSA-N -1 1 326.234 3.663 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccccc2)C(C)C)c1 ZINC000436514006 1025812262 /nfs/dbraw/zinc/81/22/62/1025812262.db2.gz OQFCKVAYUICGPJ-KRWDZBQOSA-N -1 1 327.380 3.557 20 0 EHADMM Cn1cc(NC(=O)c2ccc3ccccc3c2[O-])c(C(F)(F)F)n1 ZINC000436522475 1025824039 /nfs/dbraw/zinc/82/40/39/1025824039.db2.gz VEFSDOKVMIPPDV-UHFFFAOYSA-N -1 1 335.285 3.550 20 0 EHADMM O=C(CSc1ccccc1Cl)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000515985215 1025838601 /nfs/dbraw/zinc/83/86/01/1025838601.db2.gz DKJDTIGSFOYDFT-UHFFFAOYSA-N -1 1 349.868 3.944 20 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CSc1ccc(CN[C@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000904045885 1031663916 /nfs/dbraw/zinc/66/39/16/1031663916.db2.gz QQODBAFCQLFWAP-CYBMUJFWSA-N -1 1 325.430 3.915 20 0 EHADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1 ZINC000484594928 1031770940 /nfs/dbraw/zinc/77/09/40/1031770940.db2.gz YGCHKLXHNFSXQB-CQSZACIVSA-N -1 1 349.452 3.811 20 0 EHADMM Cc1ccc([C@@H](C)NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904213324 1031871567 /nfs/dbraw/zinc/87/15/67/1031871567.db2.gz YVJFNZDIOZWPIN-OAHLLOKOSA-N -1 1 342.439 3.740 20 0 EHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)c(Cl)c1OC ZINC000904263491 1031891224 /nfs/dbraw/zinc/89/12/24/1031891224.db2.gz ZZPRNURKUWKJGN-MRXNPFEDSA-N -1 1 349.814 3.581 20 0 EHADMM COc1ccc([C@H](NC(=O)c2ccc([O-])cc2F)C(F)(F)F)cc1 ZINC000163826475 1031969381 /nfs/dbraw/zinc/96/93/81/1031969381.db2.gz HENZIIYRQKMPFM-AWEZNQCLSA-N -1 1 343.276 3.573 20 0 EHADMM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000546759854 1031995702 /nfs/dbraw/zinc/99/57/02/1031995702.db2.gz GYDNARIUJWDSSB-WKILWMFISA-N -1 1 341.432 3.966 20 0 EHADMM C[C@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)[C@@H]1c1ccccc1 ZINC000173456775 1033319294 /nfs/dbraw/zinc/31/92/94/1033319294.db2.gz RTRLQZLXJJPAIH-BBRMVZONSA-N -1 1 337.452 3.653 20 0 EHADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cccc(C(=O)c2ccco2)c1 ZINC001142546083 1033401153 /nfs/dbraw/zinc/40/11/53/1033401153.db2.gz PWIKIVQQOXSPLS-UHFFFAOYSA-N -1 1 343.285 3.747 20 0 EHADMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1c(F)cccc1F ZINC000107165016 1033648406 /nfs/dbraw/zinc/64/84/06/1033648406.db2.gz ZQIUCPNMSMAFKW-UHFFFAOYSA-N -1 1 349.337 3.799 20 0 EHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000460412891 1033745010 /nfs/dbraw/zinc/74/50/10/1033745010.db2.gz QCVLOJPHCHJGPM-UHFFFAOYSA-N -1 1 329.425 3.661 20 0 EHADMM Cc1nc2ccc(CSc3n[n-]c(=NCC(C)C)s3)cc2[nH]1 ZINC000460424322 1033761377 /nfs/dbraw/zinc/76/13/77/1033761377.db2.gz FIVLHZPHUXEEJB-UHFFFAOYSA-N -1 1 333.486 3.505 20 0 EHADMM COc1cc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000456305774 1034307567 /nfs/dbraw/zinc/30/75/67/1034307567.db2.gz XHENEQMCFHQBGD-DOMZBBRYSA-N -1 1 325.836 3.807 20 0 EHADMM Cc1sc(CN2CCC(CC(=O)[O-])CC2)cc1Br ZINC000227982355 1034386891 /nfs/dbraw/zinc/38/68/91/1034386891.db2.gz PKEKLSSYGVPDEH-UHFFFAOYSA-N -1 1 332.263 3.506 20 0 EHADMM CC(C)COc1ccc(CC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000456792137 1034735907 /nfs/dbraw/zinc/73/59/07/1034735907.db2.gz GMVAYTCSEGQJJM-UHFFFAOYSA-N -1 1 335.350 3.886 20 0 EHADMM O=C(CCCOCCc1ccccc1)Nc1ccc([O-])c(F)c1F ZINC000456792769 1034738146 /nfs/dbraw/zinc/73/81/46/1034738146.db2.gz KIBXOQWTKKIGIF-UHFFFAOYSA-N -1 1 335.350 3.648 20 0 EHADMM COc1ccc(C2(C(=O)Nc3cccc(F)c3[O-])CCCC2)cc1 ZINC000530007579 1034852958 /nfs/dbraw/zinc/85/29/58/1034852958.db2.gz XHRLSCVGUYQUQY-UHFFFAOYSA-N -1 1 329.371 3.990 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C)cc1 ZINC000062481978 1034877878 /nfs/dbraw/zinc/87/78/78/1034877878.db2.gz 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/nfs/dbraw/zinc/73/06/70/1035730670.db2.gz HAQOFYQGQHENNA-OCCSQVGLSA-N -1 1 343.876 3.848 20 0 EHADMM CCOc1cc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000628384499 1036042957 /nfs/dbraw/zinc/04/29/57/1036042957.db2.gz HJEIJNNSXCZUEI-UWVGGRQHSA-N -1 1 347.789 3.808 20 0 EHADMM O=C(Nc1cnn(-c2ccccc2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000190966418 1036309476 /nfs/dbraw/zinc/30/94/76/1036309476.db2.gz VLJRFBQPPZHXKG-UHFFFAOYSA-N -1 1 328.759 3.875 20 0 EHADMM COc1c(C)ccc([N-]S(=O)(=O)c2cccc(SC)c2)c1C ZINC000509088429 1036422085 /nfs/dbraw/zinc/42/20/85/1036422085.db2.gz BXSVZCUFHKNDCK-UHFFFAOYSA-N -1 1 337.466 3.835 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000589436088 1036426564 /nfs/dbraw/zinc/42/65/64/1036426564.db2.gz VQPADJJZCDYIJQ-UHFFFAOYSA-N -1 1 331.437 3.722 20 0 EHADMM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)o1 ZINC000464423914 1036443420 /nfs/dbraw/zinc/44/34/20/1036443420.db2.gz DTHOVGKQERELGM-SNVBAGLBSA-N -1 1 345.823 3.680 20 0 EHADMM COc1cc(-c2noc(-c3ccc4ccccc4c3[O-])n2)ccc1O ZINC000393048593 1036467197 /nfs/dbraw/zinc/46/71/97/1036467197.db2.gz KSCRZKITWUGKNX-UHFFFAOYSA-N -1 1 334.331 3.977 20 0 EHADMM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@@H]1C ZINC000177131404 1036774751 /nfs/dbraw/zinc/77/47/51/1036774751.db2.gz YBFQDKFPBTXMGU-VXGBXAGGSA-N -1 1 334.416 3.610 20 0 EHADMM Cc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)c(OCC2CC2)c1 ZINC000539488908 1036810321 /nfs/dbraw/zinc/81/03/21/1036810321.db2.gz SQYPACVNFJDLSN-UHFFFAOYSA-N -1 1 347.361 3.698 20 0 EHADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cc(Cl)ccc1O ZINC000255911085 1036831756 /nfs/dbraw/zinc/83/17/56/1036831756.db2.gz MXVCLYDNRPCMLO-FPLPWBNLSA-N -1 1 327.764 3.597 20 0 EHADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3C)ccc12 ZINC000539856231 1037286669 /nfs/dbraw/zinc/28/66/69/1037286669.db2.gz OQIJSQLMANVEOO-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)s2)c(F)c1 ZINC000414403683 1037398032 /nfs/dbraw/zinc/39/80/32/1037398032.db2.gz HJBFNEKKHAHLMF-UHFFFAOYSA-N -1 1 329.418 3.649 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)CCCC(C)C)c1 ZINC001272470268 1037583078 /nfs/dbraw/zinc/58/30/78/1037583078.db2.gz MUJTVBGTPXZRQB-UHFFFAOYSA-N -1 1 344.377 3.938 20 0 EHADMM CCOc1cc(C(=O)NCC(C)(C)CC(F)F)cc(Cl)c1[O-] ZINC000914375993 1037734800 /nfs/dbraw/zinc/73/48/00/1037734800.db2.gz QIEWNLWAYDDZFC-UHFFFAOYSA-N -1 1 335.778 3.856 20 0 EHADMM Cc1cccc(C)c1CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000493954885 1037744202 /nfs/dbraw/zinc/74/42/02/1037744202.db2.gz OJXMDKZWYDAPQA-UHFFFAOYSA-N -1 1 348.240 3.744 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000491943429 1037798314 /nfs/dbraw/zinc/79/83/14/1037798314.db2.gz VNAQNFUSVJBNDH-QWHCGFSZSA-N -1 1 343.839 3.956 20 0 EHADMM O=C([C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1)C1CC1 ZINC000573964227 1037955657 /nfs/dbraw/zinc/95/56/57/1037955657.db2.gz VISCHNYHTHYEAI-QGZVFWFLSA-N -1 1 326.421 3.872 20 0 EHADMM C[C@H](CSCCNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000592461475 1037995699 /nfs/dbraw/zinc/99/56/99/1037995699.db2.gz HPAPDWGELDTQJS-SSDOTTSWSA-N -1 1 328.286 3.598 20 0 EHADMM CCc1oc(C(=O)[N-]c2c(OC)cccc2SC)cc1C(=O)OC ZINC000416123019 1038176519 /nfs/dbraw/zinc/17/65/19/1038176519.db2.gz PKWKMECYLXNEHJ-UHFFFAOYSA-N -1 1 349.408 3.611 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000339131581 1038412220 /nfs/dbraw/zinc/41/22/20/1038412220.db2.gz CRIJNBAHZIVWDC-HZPDHXFCSA-N -1 1 337.354 3.664 20 0 EHADMM CC(C)c1ccccc1NC(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000182735570 1038632456 /nfs/dbraw/zinc/63/24/56/1038632456.db2.gz HPBFQMKINBSYDL-UHFFFAOYSA-N -1 1 347.802 3.636 20 0 EHADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780387749 1038666402 /nfs/dbraw/zinc/66/64/02/1038666402.db2.gz PZCRLNKUELHWQB-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(Br)c(F)c1)c1ccccc1 ZINC000539194743 1038730929 /nfs/dbraw/zinc/73/09/29/1038730929.db2.gz RJVKOKHXMZITPM-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM COCC[C@@H](C)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000416589810 1038812026 /nfs/dbraw/zinc/81/20/26/1038812026.db2.gz SFPGDARNTZTLRN-SNVBAGLBSA-N -1 1 347.889 3.506 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1 ZINC000063849502 1038911881 /nfs/dbraw/zinc/91/18/81/1038911881.db2.gz OQRXBPVGADVLSM-UHFFFAOYSA-N -1 1 333.453 3.975 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1Cl ZINC000432772194 1039100776 /nfs/dbraw/zinc/10/07/76/1039100776.db2.gz RHCBNQPAIANPTI-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)cc1 ZINC000432778607 1039149359 /nfs/dbraw/zinc/14/93/59/1039149359.db2.gz FLBXYBSTWSCYMA-UHFFFAOYSA-N -1 1 348.468 3.731 20 0 EHADMM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907398856 1040039234 /nfs/dbraw/zinc/03/92/34/1040039234.db2.gz YSUHWZURSHCLDA-PXAZEXFGSA-N -1 1 337.423 3.503 20 0 EHADMM CSc1ccc(CN[C@H](CSCC=C(C)C)C(=O)[O-])s1 ZINC000417628590 1040107348 /nfs/dbraw/zinc/10/73/48/1040107348.db2.gz QYJBRGXKVICOKW-GFCCVEGCSA-N -1 1 331.528 3.712 20 0 EHADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000899192956 1040134725 /nfs/dbraw/zinc/13/47/25/1040134725.db2.gz OLKXLZNMDAPXNR-MRXNPFEDSA-N -1 1 339.313 3.666 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCCc2c(O)cccc21 ZINC000584873819 1040179231 /nfs/dbraw/zinc/17/92/31/1040179231.db2.gz WGOUKOLMZGBEAY-MRXNPFEDSA-N -1 1 349.390 3.547 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2cccs2)CC1 ZINC000156694822 1040182751 /nfs/dbraw/zinc/18/27/51/1040182751.db2.gz IFRHTDFBUMNYGV-UHFFFAOYSA-N -1 1 338.432 3.569 20 0 EHADMM CCOC(=O)c1cncc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)c1 ZINC000899235299 1040224118 /nfs/dbraw/zinc/22/41/18/1040224118.db2.gz CNBIKAVYNFZUJS-UHFFFAOYSA-N -1 1 337.379 3.698 20 0 EHADMM COc1ccccc1CO[N-]C(=O)Cc1sc(C2CCC2)nc1C ZINC000907979533 1040255090 /nfs/dbraw/zinc/25/50/90/1040255090.db2.gz IHNSZICNXOVZGT-UHFFFAOYSA-N -1 1 346.452 3.518 20 0 EHADMM C[C@@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CCCO1 ZINC000908155023 1040303058 /nfs/dbraw/zinc/30/30/58/1040303058.db2.gz GLFJLLSJPDMSIE-HQJQHLMTSA-N -1 1 348.624 3.562 20 0 EHADMM CC[C@H]1C[C@H](CC(=O)Nc2cccc([O-])c2Br)CCO1 ZINC000908709956 1040604036 /nfs/dbraw/zinc/60/40/36/1040604036.db2.gz OJZCFEKWOHCWRI-MNOVXSKESA-N -1 1 342.233 3.689 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCCCCC(=O)C1 ZINC000908708348 1040604207 /nfs/dbraw/zinc/60/42/07/1040604207.db2.gz UAVBZJYGDUHJHH-JTQLQIEISA-N -1 1 340.217 3.633 20 0 EHADMM CCCCCCN(C)CC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000908958679 1040736939 /nfs/dbraw/zinc/73/69/39/1040736939.db2.gz ATAUEINVBLLEMK-UHFFFAOYSA-N -1 1 342.439 3.989 20 0 EHADMM Cc1ccc(-c2csc(NC(=O)c3cncc([O-])c3)n2)c(C)c1 ZINC000109937329 1041506374 /nfs/dbraw/zinc/50/63/74/1041506374.db2.gz ZVZDMSPOSWLPSV-UHFFFAOYSA-N -1 1 325.393 3.780 20 0 EHADMM O=C(Nc1cccc(Cl)c1O)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000651588613 1041744023 /nfs/dbraw/zinc/74/40/23/1041744023.db2.gz XNZBHNQKONYZIK-BDAKNGLRSA-N -1 1 337.725 3.732 20 0 EHADMM COc1ccc(C)cc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000243442275 1042189034 /nfs/dbraw/zinc/18/90/34/1042189034.db2.gz NCMDUVYCWKEAKG-UHFFFAOYSA-N -1 1 325.817 3.599 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@H]1C1CCCCC1)c1cc(Cl)ccc1F ZINC001211683521 1042501247 /nfs/dbraw/zinc/50/12/47/1042501247.db2.gz HQRAIMIHKAPUSK-GXTWGEPZSA-N -1 1 331.840 3.726 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000187030741 1042746285 /nfs/dbraw/zinc/74/62/85/1042746285.db2.gz RFBDNCAAVWGKMZ-UHFFFAOYSA-N -1 1 349.264 3.911 20 0 EHADMM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccccc1Cl ZINC000007051723 1042885531 /nfs/dbraw/zinc/88/55/31/1042885531.db2.gz PABIFMUGCPLOCZ-UHFFFAOYSA-N -1 1 336.844 3.741 20 0 EHADMM Cc1ccc(-c2nc(NC(=O)c3cncc([O-])c3)sc2C)s1 ZINC000111608195 1042982602 /nfs/dbraw/zinc/98/26/02/1042982602.db2.gz SPBJVEMJDVHZGC-UHFFFAOYSA-N -1 1 331.422 3.841 20 0 EHADMM CC(C)Cn1ncc2cc(C(=O)Nc3ccc([O-])c(Cl)c3)cnc21 ZINC000111667930 1042993979 /nfs/dbraw/zinc/99/39/79/1042993979.db2.gz YABMVOFTYKZTLR-UHFFFAOYSA-N -1 1 344.802 3.699 20 0 EHADMM C/C=C/C=C\C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000056696413 1043315154 /nfs/dbraw/zinc/31/51/54/1043315154.db2.gz MDOBDHAHFSONSL-GZSBSVOMSA-N -1 1 342.420 3.558 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(OC)c1 ZINC000432476711 1043399152 /nfs/dbraw/zinc/39/91/52/1043399152.db2.gz NNLHXXPVCWNZJV-UHFFFAOYSA-N -1 1 325.817 3.712 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2cc3nccnc3cc2F)s1 ZINC000279584159 1044254532 /nfs/dbraw/zinc/25/45/32/1044254532.db2.gz CSROBPGRONUBIZ-UHFFFAOYSA-N -1 1 345.403 3.605 20 0 EHADMM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(O)cc1[O-] ZINC000436630323 1044469714 /nfs/dbraw/zinc/46/97/14/1044469714.db2.gz MMJLRJKYNWBHBI-UHFFFAOYSA-N -1 1 347.783 3.522 20 0 EHADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc2ncsc2c1 ZINC000432641141 1044572294 /nfs/dbraw/zinc/57/22/94/1044572294.db2.gz AOPNURORKVRRQQ-UHFFFAOYSA-N -1 1 329.406 3.578 20 0 EHADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccccc2Br)n1 ZINC000432679908 1044774832 /nfs/dbraw/zinc/77/48/32/1044774832.db2.gz WSYTVSVXVJUHBV-MRVPVSSYSA-N -1 1 341.230 3.812 20 0 EHADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153915355 1125674680 /nfs/dbraw/zinc/67/46/80/1125674680.db2.gz DKCCNMJMILHNTN-NWDGAFQWSA-N -1 1 343.876 3.800 20 0 EHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(-c2ccccn2)s1 ZINC000154176820 1125700365 /nfs/dbraw/zinc/70/03/65/1125700365.db2.gz PFYHTVOAYOLWOJ-UHFFFAOYSA-N -1 1 326.381 3.631 20 0 EHADMM O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc([O-])c(Cl)c1 ZINC000171881273 1126768376 /nfs/dbraw/zinc/76/83/76/1126768376.db2.gz ORPVYVUORVCPML-UHFFFAOYSA-N -1 1 343.770 3.667 20 0 EHADMM CC(C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000171965880 1126772022 /nfs/dbraw/zinc/77/20/22/1126772022.db2.gz QLJPXEGLSZXOGJ-AWEZNQCLSA-N -1 1 346.452 3.718 20 0 EHADMM CCc1nnsc1C(=O)[N-]c1c(C)c2ccccc2nc1SC ZINC000622967532 1126845003 /nfs/dbraw/zinc/84/50/03/1126845003.db2.gz LNAGWLOIMKMSBC-UHFFFAOYSA-N -1 1 344.465 3.931 20 0 EHADMM [O-]c1ccc(Br)c(CN2CC[C@H](C(F)(F)F)C2)c1F ZINC001238308012 1126968468 /nfs/dbraw/zinc/96/84/68/1126968468.db2.gz WYBKCZFDLYYZCN-ZETCQYMHSA-N -1 1 342.130 3.678 20 0 EHADMM CCOc1cc(-c2nc([C@H]3CCOC[C@@H]3C)no2)cc(Cl)c1[O-] ZINC000350604885 1127091554 /nfs/dbraw/zinc/09/15/54/1127091554.db2.gz XGYQZGYPLONDAU-ONGXEEELSA-N -1 1 338.791 3.634 20 0 EHADMM Cc1cc(F)ccc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000182879958 1127352576 /nfs/dbraw/zinc/35/25/76/1127352576.db2.gz ULHQYZDHWZLTCN-UHFFFAOYSA-N -1 1 334.416 3.804 20 0 EHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000184035185 1127392679 /nfs/dbraw/zinc/39/26/79/1127392679.db2.gz CDEXBSFXXAIRCT-UHFFFAOYSA-N -1 1 325.430 3.798 20 0 EHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000184034629 1127392909 /nfs/dbraw/zinc/39/29/09/1127392909.db2.gz XYPJXJPDMOVWAW-GFCCVEGCSA-N -1 1 349.477 3.674 20 0 EHADMM CC1(C)CN(C(=O)c2ccc(Br)c([O-])c2)[C@H]2CCC[C@H]21 ZINC000382171513 1127503126 /nfs/dbraw/zinc/50/31/26/1127503126.db2.gz LKFGPPKHBPKLEC-YPMHNXCESA-N -1 1 338.245 3.805 20 0 EHADMM CN(C)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c2ccccc2n1 ZINC000542650257 1127633649 /nfs/dbraw/zinc/63/36/49/1127633649.db2.gz QSNSPXLLHCTTRG-UHFFFAOYSA-N -1 1 341.798 3.912 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)c1 ZINC000765536553 1127647968 /nfs/dbraw/zinc/64/79/68/1127647968.db2.gz WLCNCXOSASGNOD-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000015232260 1127651381 /nfs/dbraw/zinc/65/13/81/1127651381.db2.gz ZNMFVXFGHXPEIS-UHFFFAOYSA-N -1 1 348.189 3.819 20 0 EHADMM O=C(Nc1ccc(-n2cccn2)cc1)c1cc2ccccc2cc1[O-] ZINC000024711620 1127709676 /nfs/dbraw/zinc/70/96/76/1127709676.db2.gz BTOKOPZGOGOVJY-UHFFFAOYSA-N -1 1 329.359 3.983 20 0 EHADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccsc21 ZINC000386681329 1127712333 /nfs/dbraw/zinc/71/23/33/1127712333.db2.gz XJQGTSFZPMLVLA-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM CCOc1ccc2nc(NC(=O)c3ccc(OC)cc3[O-])sc2c1 ZINC000028835239 1127791043 /nfs/dbraw/zinc/79/10/43/1127791043.db2.gz GLQDCJPAKCFAPE-UHFFFAOYSA-N -1 1 344.392 3.662 20 0 EHADMM O=C(NCCc1ccccc1Cl)c1ccc2ccc(O)cc2c1[O-] ZINC001626051470 1127888034 /nfs/dbraw/zinc/88/80/34/1127888034.db2.gz NKSSECPTYRIJBK-UHFFFAOYSA-N -1 1 341.794 3.877 20 0 EHADMM O=C(Nc1cccc(NC(=O)c2ccccc2[O-])c1)c1ccccc1 ZINC000046001667 1127966419 /nfs/dbraw/zinc/96/64/19/1127966419.db2.gz WUUHTCZNODWGAU-UHFFFAOYSA-N -1 1 332.359 3.897 20 0 EHADMM CC[C@@H](c1ccccc1OC)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000347551000 1128070513 /nfs/dbraw/zinc/07/05/13/1128070513.db2.gz DHCQFYQTXXOSJC-AWEZNQCLSA-N -1 1 343.452 3.989 20 0 EHADMM CCNC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000063698790 1128152140 /nfs/dbraw/zinc/15/21/40/1128152140.db2.gz MDAXFBFTJKXDGL-UHFFFAOYSA-N -1 1 341.411 3.909 20 0 EHADMM Cc1cc(C)c(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C)c1 ZINC000063764552 1128155278 /nfs/dbraw/zinc/15/52/78/1128155278.db2.gz SYUCATUBORVUKH-UHFFFAOYSA-N -1 1 343.370 3.508 20 0 EHADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc(OC)c1OC ZINC001649104348 1128262789 /nfs/dbraw/zinc/26/27/89/1128262789.db2.gz FLLKPWLKWKFHAS-AWEZNQCLSA-N -1 1 349.814 3.944 20 0 EHADMM CC(C)C[C@H](C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000069371762 1128286788 /nfs/dbraw/zinc/28/67/88/1128286788.db2.gz LWOXKJCQJXQGEI-HNNXBMFYSA-N -1 1 331.456 3.886 20 0 EHADMM O=S(=O)(CCC1CCCC1)[N-][C@H](CCc1ccccc1)C(F)F ZINC001213126137 1128443984 /nfs/dbraw/zinc/44/39/84/1128443984.db2.gz BCTXWANFBYHMTE-MRXNPFEDSA-N -1 1 345.455 3.753 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1F ZINC000055586222 1128524242 /nfs/dbraw/zinc/52/42/42/1128524242.db2.gz RXDSRNJFJAEWJS-UHFFFAOYSA-N -1 1 346.383 3.954 20 0 EHADMM CC(=O)c1ccc2nc([N-]C(=O)c3ocnc3C(F)F)sc2c1 ZINC001128149134 1128756489 /nfs/dbraw/zinc/75/64/89/1128756489.db2.gz RSHUKXWNFHIKBO-UHFFFAOYSA-N -1 1 337.307 3.677 20 0 EHADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007060355 1128847138 /nfs/dbraw/zinc/84/71/38/1128847138.db2.gz PRQRMQSPNCWPDF-UHFFFAOYSA-N -1 1 345.251 3.860 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2cc3cc[nH]c3cn2)c([O-])c1 ZINC001648883265 1120060662 /nfs/dbraw/zinc/06/06/62/1120060662.db2.gz YVPAUBXRXBPORE-UHFFFAOYSA-N -1 1 325.368 3.700 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c2cccnc12 ZINC000481847281 1120348552 /nfs/dbraw/zinc/34/85/52/1120348552.db2.gz ZAPCKZNDJFBQDY-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM Cc1c(=O)[n-]c(SCC(=O)c2ccccc2)nc1-c1ccccc1 ZINC000185053707 1120397605 /nfs/dbraw/zinc/39/76/05/1120397605.db2.gz AKNUHXJQUPSSHI-UHFFFAOYSA-N -1 1 336.416 3.720 20 0 EHADMM COc1ccc(-c2nsc([N-]C(=O)c3ccc(SC)o3)n2)cc1 ZINC000112245399 1128915251 /nfs/dbraw/zinc/91/52/51/1128915251.db2.gz BVNOYAIEOAOZOC-UHFFFAOYSA-N -1 1 347.421 3.781 20 0 EHADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000188891888 1120514921 /nfs/dbraw/zinc/51/49/21/1120514921.db2.gz OQTOCDLXVNKYDB-UHFFFAOYSA-N -1 1 332.425 3.569 20 0 EHADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000494469189 1120566650 /nfs/dbraw/zinc/56/66/50/1120566650.db2.gz KAUOICPOZMRYQZ-RYUDHWBXSA-N -1 1 334.416 3.610 20 0 EHADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1c(F)cncc1F ZINC000672335517 1128935441 /nfs/dbraw/zinc/93/54/41/1128935441.db2.gz ZJMRWPMEZWNCDE-SSDOTTSWSA-N -1 1 346.255 3.575 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3cnn(CC)c3c2)cc1 ZINC000195730727 1120814268 /nfs/dbraw/zinc/81/42/68/1120814268.db2.gz KOIMDBJSLIHHBP-UHFFFAOYSA-N -1 1 343.452 3.810 20 0 EHADMM Cc1cccc([C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(C)(C)C)c1 ZINC000494837268 1120880883 /nfs/dbraw/zinc/88/08/83/1120880883.db2.gz WVJUTMYRJPFLTG-QGZVFWFLSA-N -1 1 349.434 3.749 20 0 EHADMM C[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000227535702 1120891822 /nfs/dbraw/zinc/89/18/22/1120891822.db2.gz DDCWFEPOMGWVJQ-CMPLNLGQSA-N -1 1 326.234 3.853 20 0 EHADMM COc1nc([N-][C@H](c2ccccn2)C(F)(F)F)nc2ccsc21 ZINC001168480674 1120986320 /nfs/dbraw/zinc/98/63/20/1120986320.db2.gz ZFYULDRIESEEIR-LLVKDONJSA-N -1 1 340.330 3.810 20 0 EHADMM Cc1cccc(C)c1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000153471328 1121195087 /nfs/dbraw/zinc/19/50/87/1121195087.db2.gz UDJKZBVNTWSHKV-UHFFFAOYSA-N -1 1 334.423 3.678 20 0 EHADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc2ccccc2c1[O-] ZINC000762681149 1121409419 /nfs/dbraw/zinc/40/94/19/1121409419.db2.gz QADLDVNJOYZFLW-VYDXJSESSA-N -1 1 345.489 3.655 20 0 EHADMM CCc1ccsc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000053793459 1121449204 /nfs/dbraw/zinc/44/92/04/1121449204.db2.gz YKSWBILCTYDAHX-UHFFFAOYSA-N -1 1 343.448 3.751 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccccc1NCCC1=CCCCC1 ZINC000615226755 1121519465 /nfs/dbraw/zinc/51/94/65/1121519465.db2.gz CIDSWASDMQEXJA-UHFFFAOYSA-N -1 1 340.427 3.978 20 0 EHADMM C[N@@H+](Cc1cccc(F)c1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000915878352 1121895203 /nfs/dbraw/zinc/89/52/03/1121895203.db2.gz OUJSYEKWJKKXLD-UHFFFAOYSA-N -1 1 347.773 3.923 20 0 EHADMM CN(Cc1cccc(F)c1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000915878352 1121895205 /nfs/dbraw/zinc/89/52/05/1121895205.db2.gz OUJSYEKWJKKXLD-UHFFFAOYSA-N -1 1 347.773 3.923 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000123790769 1122264761 /nfs/dbraw/zinc/26/47/61/1122264761.db2.gz OHRWSQOAZMYXLZ-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000126145246 1122387621 /nfs/dbraw/zinc/38/76/21/1122387621.db2.gz DUYKZTUDFPSWTN-UHFFFAOYSA-N -1 1 347.436 3.867 20 0 EHADMM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000077688142 1129056523 /nfs/dbraw/zinc/05/65/23/1129056523.db2.gz MATHRLURCXIMOS-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c(C)n1 ZINC000128765143 1122664656 /nfs/dbraw/zinc/66/46/56/1122664656.db2.gz SRVKBDPEJLQOKU-UHFFFAOYSA-N -1 1 334.441 3.595 20 0 EHADMM Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480924 1129086952 /nfs/dbraw/zinc/08/69/52/1129086952.db2.gz PZVPGLMSQHNBOA-UHFFFAOYSA-N -1 1 337.257 3.711 20 0 EHADMM COc1ccc2c(c1)CN(C(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000072030314 1123034735 /nfs/dbraw/zinc/03/47/35/1123034735.db2.gz MCXGMDINWJAOGH-UHFFFAOYSA-N -1 1 333.387 3.753 20 0 EHADMM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000131315715 1123080184 /nfs/dbraw/zinc/08/01/84/1123080184.db2.gz AYCJXWKLPWWMDU-PBHICJAKSA-N -1 1 331.799 3.696 20 0 EHADMM C/C(=C\C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000919553916 1123084753 /nfs/dbraw/zinc/08/47/53/1123084753.db2.gz XWLARZZZMVLNRE-UKTHLTGXSA-N -1 1 336.343 3.645 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1C ZINC000072576985 1123122109 /nfs/dbraw/zinc/12/21/09/1123122109.db2.gz SWXXTQXLLGZKKB-UHFFFAOYSA-N -1 1 330.453 3.704 20 0 EHADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc2cnccc21 ZINC000135916285 1123653328 /nfs/dbraw/zinc/65/33/28/1123653328.db2.gz RQEUNHNODJLQQH-UHFFFAOYSA-N -1 1 335.388 3.584 20 0 EHADMM O=C(Nc1ccc(F)c(Br)c1)c1ccc([O-])c(F)c1 ZINC000681049656 1129154490 /nfs/dbraw/zinc/15/44/90/1129154490.db2.gz NFYFXPVPTUQKNN-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(C2CCC2)CC1 ZINC000617771487 1124771392 /nfs/dbraw/zinc/77/13/92/1124771392.db2.gz UPPNJFHKCRPJNM-UHFFFAOYSA-N -1 1 338.245 3.807 20 0 EHADMM CCOc1cc(C(=O)NCC[C@]2(C)CC2(F)F)cc(Cl)c1[O-] ZINC000618621135 1125136411 /nfs/dbraw/zinc/13/64/11/1125136411.db2.gz DHRXHLPURHIPED-CQSZACIVSA-N -1 1 333.762 3.610 20 0 EHADMM CCOc1cc(C(=O)N2CCC[C@H](CCF)C2)cc(Cl)c1[O-] ZINC000618685810 1125155943 /nfs/dbraw/zinc/15/59/43/1125155943.db2.gz WXGAVZDJOONLEI-LLVKDONJSA-N -1 1 329.799 3.656 20 0 EHADMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)C12CCC2 ZINC000619100692 1125280787 /nfs/dbraw/zinc/28/07/87/1125280787.db2.gz CIZILRGCYOATOF-QWHCGFSZSA-N -1 1 339.382 3.527 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000182877514 1125384522 /nfs/dbraw/zinc/38/45/22/1125384522.db2.gz WFJZJDRNSYPXAX-UHFFFAOYSA-N -1 1 337.763 3.602 20 0 EHADMM CCC1=NO[C@@H](c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](CC)CC4)C1 ZINC000172996034 1129532617 /nfs/dbraw/zinc/53/26/17/1129532617.db2.gz GMGZNZSEWRDMJB-JOYOIKCWSA-N -1 1 331.441 3.727 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1 ZINC000673629718 1129715576 /nfs/dbraw/zinc/71/55/76/1129715576.db2.gz WWNXYLRTILHQKM-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1O ZINC000029835805 1129902674 /nfs/dbraw/zinc/90/26/74/1129902674.db2.gz UNVBSYPLTMJPQG-KRWDZBQOSA-N -1 1 344.842 3.613 20 0 EHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000171013652 1129997623 /nfs/dbraw/zinc/99/76/23/1129997623.db2.gz XIYGKLOMBATTKL-LLVKDONJSA-N -1 1 325.455 3.873 20 0 EHADMM COc1ccc(-c2cncc(C(=O)Nc3c([O-])cccc3F)c2)cc1 ZINC000675143754 1130266162 /nfs/dbraw/zinc/26/61/62/1130266162.db2.gz OGKHAIKCWKSNKD-UHFFFAOYSA-N -1 1 338.338 3.854 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1cccc(N(C)C)c1C ZINC000187029257 1130352922 /nfs/dbraw/zinc/35/29/22/1130352922.db2.gz BPCFYLMSWMODBL-UHFFFAOYSA-N -1 1 336.482 3.584 20 0 EHADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1 ZINC000727795601 1130593058 /nfs/dbraw/zinc/59/30/58/1130593058.db2.gz PKWHZHRTRCEQJN-UHFFFAOYSA-N -1 1 347.436 3.617 20 0 EHADMM CSc1ccsc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000730639867 1130725607 /nfs/dbraw/zinc/72/56/07/1130725607.db2.gz GCBHJDVNDMUMEX-UHFFFAOYSA-N -1 1 348.401 3.639 20 0 EHADMM CC(C)c1ocnc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000732943928 1130975148 /nfs/dbraw/zinc/97/51/48/1130975148.db2.gz RSSWZMAOJXGEKI-UHFFFAOYSA-N -1 1 332.360 3.708 20 0 EHADMM O=C(Nc1ccc(Cc2ccncc2)cc1)c1c(F)ccc([O-])c1F ZINC000347930188 1131090963 /nfs/dbraw/zinc/09/09/63/1131090963.db2.gz KDARDKLXFQFJST-UHFFFAOYSA-N -1 1 340.329 3.909 20 0 EHADMM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cncc([O-])c1 ZINC000348009306 1131126516 /nfs/dbraw/zinc/12/65/16/1131126516.db2.gz XVACADWGSLMFNI-QGZVFWFLSA-N -1 1 328.412 3.703 20 0 EHADMM C[C@@H](CC1CCCC1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000734053554 1131190565 /nfs/dbraw/zinc/19/05/65/1131190565.db2.gz MHVUUYUZGOYJGB-LBPRGKRZSA-N -1 1 330.380 3.758 20 0 EHADMM Cc1nonc1C(=O)[N-]c1cc(C)ccc1SCC(F)(F)F ZINC000736500326 1131424227 /nfs/dbraw/zinc/42/42/27/1131424227.db2.gz GEYGYEPAZOTDSS-UHFFFAOYSA-N -1 1 331.319 3.593 20 0 EHADMM Cc1cnc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])s1 ZINC000740922332 1131558390 /nfs/dbraw/zinc/55/83/90/1131558390.db2.gz WFSJMMGKNQAZLG-UHFFFAOYSA-N -1 1 349.412 3.756 20 0 EHADMM Cc1noc2ccc(-c3noc(-c4ncc(C(F)(F)F)[n-]4)n3)cc12 ZINC001212689391 1131899845 /nfs/dbraw/zinc/89/98/45/1131899845.db2.gz BVUNBKLEEDDHQK-UHFFFAOYSA-N -1 1 335.245 3.595 20 0 EHADMM Cc1noc2ccc(-c3noc(-c4nc(C(F)(F)F)c[n-]4)n3)cc12 ZINC001212689391 1131899855 /nfs/dbraw/zinc/89/98/55/1131899855.db2.gz BVUNBKLEEDDHQK-UHFFFAOYSA-N -1 1 335.245 3.595 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2cccc(C(F)(F)F)c2F)no1 ZINC001212721424 1132055447 /nfs/dbraw/zinc/05/54/47/1132055447.db2.gz PSXABUIPJSBQKG-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1nc(-c2ccccc2)no1 ZINC000744881758 1132164319 /nfs/dbraw/zinc/16/43/19/1132164319.db2.gz XPYWNVUVNJRJFK-SECBINFHSA-N -1 1 346.289 3.638 20 0 EHADMM COc1ccc(Nc2cc(Br)cc(Cl)c2[O-])cn1 ZINC001173960905 1132183939 /nfs/dbraw/zinc/18/39/39/1132183939.db2.gz JOFAXIIZWKOIOT-UHFFFAOYSA-N -1 1 329.581 3.955 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)Cc2ccccc2F)c1 ZINC000745068504 1132187305 /nfs/dbraw/zinc/18/73/05/1132187305.db2.gz FXOKPSCGVDJYGK-ZDUSSCGKSA-N -1 1 344.382 3.698 20 0 EHADMM O=C(CCCC1CCCC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000745603019 1132280233 /nfs/dbraw/zinc/28/02/33/1132280233.db2.gz OMJFDUIYOGPARA-UHFFFAOYSA-N -1 1 330.380 3.902 20 0 EHADMM O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1cc2ccccc2cc1[O-] ZINC001168856253 1132581385 /nfs/dbraw/zinc/58/13/85/1132581385.db2.gz NLFWNBJXDKBHAI-GOSISDBHSA-N -1 1 346.386 3.749 20 0 EHADMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C3CC3)cc2F)c1 ZINC001175320359 1132638353 /nfs/dbraw/zinc/63/83/53/1132638353.db2.gz BBHVJTNTKJAOQJ-UHFFFAOYSA-N -1 1 340.354 3.786 20 0 EHADMM O=C(Nc1nc(COc2ccccc2)cs1)c1ccc(F)c([O-])c1 ZINC001169200038 1132689961 /nfs/dbraw/zinc/68/99/61/1132689961.db2.gz WXQXGSAWYYQMLR-UHFFFAOYSA-N -1 1 344.367 3.819 20 0 EHADMM COC(=O)c1c(C)c(Nc2c(F)cc(F)c([O-])c2F)ccc1F ZINC001176671067 1132979657 /nfs/dbraw/zinc/97/96/57/1132979657.db2.gz SFHWYRYHPOTBTL-UHFFFAOYSA-N -1 1 329.249 3.787 20 0 EHADMM COC(=O)[C@@H]1CCc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176674848 1132980384 /nfs/dbraw/zinc/98/03/84/1132980384.db2.gz YIJUDPPTSQFEST-LLVKDONJSA-N -1 1 337.297 3.756 20 0 EHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(Cc2cccnc2)n1 ZINC001176663037 1132987277 /nfs/dbraw/zinc/98/72/77/1132987277.db2.gz AFKJAKOWPIRAET-UHFFFAOYSA-N -1 1 334.301 3.501 20 0 EHADMM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc([O-])c(F)c1 ZINC000767942326 1133073587 /nfs/dbraw/zinc/07/35/87/1133073587.db2.gz RHMFTKLPBNRHMX-UHFFFAOYSA-N -1 1 337.354 3.847 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000768084463 1133089848 /nfs/dbraw/zinc/08/98/48/1133089848.db2.gz MXSAXBJTVWIPHN-SNUQEOBHSA-N -1 1 329.371 3.522 20 0 EHADMM O=C(Cc1ccc(C2CC2)cn1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001177967288 1133115573 /nfs/dbraw/zinc/11/55/73/1133115573.db2.gz SUNUUEYOMDTYQB-UHFFFAOYSA-N -1 1 336.313 3.865 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)nc1 ZINC000768861776 1133199346 /nfs/dbraw/zinc/19/93/46/1133199346.db2.gz CTZIFSATAGSVRY-BQYQJAHWSA-N -1 1 340.857 3.870 20 0 EHADMM CCC[C@@H](C(=O)NCCc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001178780870 1133202153 /nfs/dbraw/zinc/20/21/53/1133202153.db2.gz MZXJOTVGSVTTLC-OAHLLOKOSA-N -1 1 333.378 3.913 20 0 EHADMM COC(=O)c1cccc2c1CCN2C(=O)c1ccc2ccccc2c1[O-] ZINC001178984963 1133219194 /nfs/dbraw/zinc/21/91/94/1133219194.db2.gz PFUHXKYTAPMWFF-UHFFFAOYSA-N -1 1 347.370 3.535 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC001179657030 1133267683 /nfs/dbraw/zinc/26/76/83/1133267683.db2.gz ZKDCYNHNOLMULC-UHFFFAOYSA-N -1 1 349.724 3.966 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])Cc2ccccc21 ZINC000769613387 1133321826 /nfs/dbraw/zinc/32/18/26/1133321826.db2.gz BOFMCEFBKCTMPC-NSHDSACASA-N -1 1 346.224 3.914 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1nc2c(s1)C[C@H](C(C)C)CC2 ZINC001180110010 1133332297 /nfs/dbraw/zinc/33/22/97/1133332297.db2.gz KIOLUXAGNGOPBN-LLVKDONJSA-N -1 1 346.452 3.871 20 0 EHADMM Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000769755275 1133337128 /nfs/dbraw/zinc/33/71/28/1133337128.db2.gz KANSOPVXWPVDMC-CQSZACIVSA-N -1 1 347.846 3.521 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770000616 1133376308 /nfs/dbraw/zinc/37/63/08/1133376308.db2.gz BHKKENRJPNZRIW-RHSMWYFYSA-N -1 1 347.386 3.633 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3CC(c4cccc(F)c4)=NO3)n2)c(F)c1 ZINC000771212182 1133528647 /nfs/dbraw/zinc/52/86/47/1133528647.db2.gz QSAIUAZPGSLIQI-OAHLLOKOSA-N -1 1 343.289 3.586 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC(Cc2cccnc2)CC1 ZINC000771310216 1133538269 /nfs/dbraw/zinc/53/82/69/1133538269.db2.gz HHTOIKPYUCCGQA-UHFFFAOYSA-N -1 1 330.815 3.536 20 0 EHADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C3CC3)cc2)c1F ZINC000771603436 1133576700 /nfs/dbraw/zinc/57/67/00/1133576700.db2.gz AJWGSGBMWCQDGM-UHFFFAOYSA-N -1 1 349.383 3.511 20 0 EHADMM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1c([O-])cccc1F ZINC000772152300 1133652289 /nfs/dbraw/zinc/65/22/89/1133652289.db2.gz CMGBJJLLZPWUBS-CQSZACIVSA-N -1 1 327.355 3.708 20 0 EHADMM COc1ccc2c(c1)OC(C)(C)CN(Cc1ccc([O-])c(F)c1F)C2 ZINC001182433477 1133661715 /nfs/dbraw/zinc/66/17/15/1133661715.db2.gz JCSKKXYSMFPNSW-UHFFFAOYSA-N -1 1 349.377 3.852 20 0 EHADMM O=C(Cc1ccc2nc[nH]c2c1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001182843075 1133735438 /nfs/dbraw/zinc/73/54/38/1133735438.db2.gz BHCSFTUDVVTDRT-UHFFFAOYSA-N -1 1 340.433 3.643 20 0 EHADMM C[C@H](CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccco1 ZINC001183250909 1133786292 /nfs/dbraw/zinc/78/62/92/1133786292.db2.gz KVKVHIKEHBAANX-SECBINFHSA-N -1 1 346.774 3.556 20 0 EHADMM C[C@H](CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccco1 ZINC001183250909 1133786295 /nfs/dbraw/zinc/78/62/95/1133786295.db2.gz KVKVHIKEHBAANX-SECBINFHSA-N -1 1 346.774 3.556 20 0 EHADMM Cc1c(C)c(C)c(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c(C)c1C ZINC001184422525 1133938610 /nfs/dbraw/zinc/93/86/10/1133938610.db2.gz QTTAYAGQQQWUCZ-UHFFFAOYSA-N -1 1 340.349 3.547 20 0 EHADMM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(Cl)c1 ZINC001185496255 1134099434 /nfs/dbraw/zinc/09/94/34/1134099434.db2.gz IXVOTLCXIDAZPF-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(CO)c(Cl)c2)ccc1Cl ZINC001185529705 1134103933 /nfs/dbraw/zinc/10/39/33/1134103933.db2.gz LHBDLLUGWKCXIK-UHFFFAOYSA-N -1 1 346.235 3.595 20 0 EHADMM [O-]c1ccc(F)c(Nc2ccc(N3CCC(O)CC3)cc2)c1Cl ZINC001250233364 1134181106 /nfs/dbraw/zinc/18/11/06/1134181106.db2.gz NVVYVNFBVMTQKP-UHFFFAOYSA-N -1 1 336.794 3.889 20 0 EHADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC001186246372 1134185910 /nfs/dbraw/zinc/18/59/10/1134185910.db2.gz FIYZKENBWNGPBQ-JTQLQIEISA-N -1 1 345.798 3.700 20 0 EHADMM O=C(Nc1cc(F)c(OCC2CC2)c(F)c1)c1ccc([O-])cc1F ZINC001186329567 1134203200 /nfs/dbraw/zinc/20/32/00/1134203200.db2.gz SKDNKTUIEGQEHC-UHFFFAOYSA-N -1 1 337.297 3.851 20 0 EHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)N[C@@H](C)C1CCCCC1 ZINC001186412547 1134209995 /nfs/dbraw/zinc/20/99/95/1134209995.db2.gz UPATXFGEIDCXGV-AWEZNQCLSA-N -1 1 342.443 3.977 20 0 EHADMM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc(Cl)ccc1[O-] ZINC000789929979 1134345998 /nfs/dbraw/zinc/34/59/98/1134345998.db2.gz KGNSAEZIUSPRLC-UHFFFAOYSA-N -1 1 330.693 3.641 20 0 EHADMM O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc(Cl)ccc1[O-] ZINC000789932114 1134353671 /nfs/dbraw/zinc/35/36/71/1134353671.db2.gz QXWHRPBUPNZDQK-UHFFFAOYSA-N -1 1 330.693 3.641 20 0 EHADMM CC(C)Oc1ncc(C(=O)Nc2nc(Cl)ccc2[O-])cc1Cl ZINC000790050655 1134365712 /nfs/dbraw/zinc/36/57/12/1134365712.db2.gz FYPDYCNOGSSGKJ-UHFFFAOYSA-N -1 1 342.182 3.529 20 0 EHADMM Cc1cc(NC(=O)c2ncc(C(F)(F)F)[n-]2)c2ccsc2n1 ZINC001188281069 1134449332 /nfs/dbraw/zinc/44/93/32/1134449332.db2.gz PDHVHVWLVOSAKY-UHFFFAOYSA-N -1 1 326.303 3.599 20 0 EHADMM Cc1cc(NC(=O)c2nc(C(F)(F)F)c[n-]2)c2ccsc2n1 ZINC001188281069 1134449335 /nfs/dbraw/zinc/44/93/35/1134449335.db2.gz PDHVHVWLVOSAKY-UHFFFAOYSA-N -1 1 326.303 3.599 20 0 EHADMM O=C(Nc1cc(F)c(Cl)nc1Cl)c1ncc(C(F)(F)F)[n-]1 ZINC001188278995 1134449378 /nfs/dbraw/zinc/44/93/78/1134449378.db2.gz YBFLCUSNIPUYTH-UHFFFAOYSA-N -1 1 343.067 3.522 20 0 EHADMM O=C(Nc1cc(F)c(Cl)nc1Cl)c1nc(C(F)(F)F)c[n-]1 ZINC001188278995 1134449381 /nfs/dbraw/zinc/44/93/81/1134449381.db2.gz YBFLCUSNIPUYTH-UHFFFAOYSA-N -1 1 343.067 3.522 20 0 EHADMM Cc1cc(C)c(CC[N-]S(=O)(=O)c2sccc2Cl)c(C)c1 ZINC001188489163 1134468138 /nfs/dbraw/zinc/46/81/38/1134468138.db2.gz LXWBPVLRHAGOFL-UHFFFAOYSA-N -1 1 343.901 3.848 20 0 EHADMM O=C(Nc1nc(C2CC2)cs1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188561782 1134476248 /nfs/dbraw/zinc/47/62/48/1134476248.db2.gz CFUVHSSUXPDPNC-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM Cc1cc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)nn1 ZINC001189102581 1134544907 /nfs/dbraw/zinc/54/49/07/1134544907.db2.gz AYCJZUCEGMFEDC-UHFFFAOYSA-N -1 1 338.436 3.857 20 0 EHADMM Cc1cc(O)cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189385610 1134577923 /nfs/dbraw/zinc/57/79/23/1134577923.db2.gz MOKVUYHQUUBJLP-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM Cc1ccc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(Cl)c1 ZINC001190411381 1134695676 /nfs/dbraw/zinc/69/56/76/1134695676.db2.gz TXUDOAWHJOWDJJ-UHFFFAOYSA-N -1 1 349.761 3.544 20 0 EHADMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190500150 1134706810 /nfs/dbraw/zinc/70/68/10/1134706810.db2.gz OVTUBWILRLSKDG-UHFFFAOYSA-N -1 1 345.420 3.542 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC001170221896 1134714213 /nfs/dbraw/zinc/71/42/13/1134714213.db2.gz XASQMOGOWZHFKE-UHFFFAOYSA-N -1 1 339.288 3.749 20 0 EHADMM O=S(=O)([N-]Cc1cc2ccccc2s1)c1ccc(C(F)F)o1 ZINC001190663866 1134727848 /nfs/dbraw/zinc/72/78/48/1134727848.db2.gz 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ZINC001192314387 1134998242 /nfs/dbraw/zinc/99/82/42/1134998242.db2.gz OJJWKYPHVCIPOM-UHFFFAOYSA-N -1 1 344.436 3.918 20 0 EHADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1c(F)ccc([O-])c1F ZINC001192552397 1135028848 /nfs/dbraw/zinc/02/88/48/1135028848.db2.gz MXEFWPMCVDQECC-ZDUSSCGKSA-N -1 1 331.240 3.704 20 0 EHADMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC001192552685 1135029011 /nfs/dbraw/zinc/02/90/11/1135029011.db2.gz QVLGXZLLEXJPAA-HAELCTKSSA-N -1 1 343.373 3.983 20 0 EHADMM O=C(NCC1(Cc2ccccc2F)CC1)c1c(F)ccc([O-])c1F ZINC001192556408 1135029654 /nfs/dbraw/zinc/02/96/54/1135029654.db2.gz UFMHPDIFUXBNJQ-UHFFFAOYSA-N -1 1 335.325 3.562 20 0 EHADMM CCCC[C@H](C)NC(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001193060552 1135100844 /nfs/dbraw/zinc/10/08/44/1135100844.db2.gz LBKAZFFJXGPQMA-VIFPVBQESA-N -1 1 345.237 3.864 20 0 EHADMM C[C@@H](O)c1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000804804885 1135197263 /nfs/dbraw/zinc/19/72/63/1135197263.db2.gz ZWRLRQMSNIMRAD-LLVKDONJSA-N -1 1 325.339 3.990 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CO)c2C)c2ccccc12 ZINC001193862281 1135197656 /nfs/dbraw/zinc/19/76/56/1135197656.db2.gz DEQWJMMHDVARGS-UHFFFAOYSA-N -1 1 341.432 3.750 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC2(CCCCC2)CC1 ZINC000747218599 1135209034 /nfs/dbraw/zinc/20/90/34/1135209034.db2.gz XTFWKPSTEBICNW-UHFFFAOYSA-N -1 1 331.460 3.801 20 0 EHADMM O=S(=O)([N-]c1cnccc1F)c1ccc2c(Cl)cccc2c1 ZINC001194226191 1135246755 /nfs/dbraw/zinc/24/67/55/1135246755.db2.gz VHEVQJRLEFHSRS-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM Cc1cc(O)cc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194498157 1135279291 /nfs/dbraw/zinc/27/92/91/1135279291.db2.gz DMAFCRWRDGVBPG-UHFFFAOYSA-N -1 1 348.811 3.703 20 0 EHADMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194638323 1135295782 /nfs/dbraw/zinc/29/57/82/1135295782.db2.gz JZQRQKYOFXLWEI-UHFFFAOYSA-N -1 1 347.436 3.589 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(C)c1 ZINC001195268116 1135402451 /nfs/dbraw/zinc/40/24/51/1135402451.db2.gz PNYRPQXOJGDXNL-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM Cc1nc2cc(NC(=O)c3cc([O-])cnc3Cl)c(C)cc2s1 ZINC001195306181 1135409708 /nfs/dbraw/zinc/40/97/08/1135409708.db2.gz OAOGXSUETPBKBQ-UHFFFAOYSA-N -1 1 333.800 3.919 20 0 EHADMM Nc1ccc(-c2ccc(NC(=O)c3cc([O-])cnc3Cl)cc2)cc1 ZINC001195309757 1135411745 /nfs/dbraw/zinc/41/17/45/1135411745.db2.gz VNJRPGCZDWKPRU-UHFFFAOYSA-N -1 1 339.782 3.942 20 0 EHADMM O=C([N-]c1noc2cccnc21)c1ccc(Cl)c(C(F)(F)F)n1 ZINC001195656763 1135452773 /nfs/dbraw/zinc/45/27/73/1135452773.db2.gz YNPTZMQZNGCFRJ-UHFFFAOYSA-N -1 1 342.664 3.542 20 0 EHADMM CCCCCCOc1cccc(/C=C\c2cc(=O)n3[n-]cnc3n2)c1 ZINC000806570611 1135463103 /nfs/dbraw/zinc/46/31/03/1135463103.db2.gz FDXYNGJZEUPBEP-KTKRTIGZSA-N -1 1 338.411 3.547 20 0 EHADMM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]C1(C(F)F)CCCC1 ZINC000808346974 1135651733 /nfs/dbraw/zinc/65/17/33/1135651733.db2.gz WUGRUKMWGJSONU-YFHOEESVSA-N -1 1 335.803 3.808 20 0 EHADMM CCc1ccc(O)c([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197672209 1135719855 /nfs/dbraw/zinc/71/98/55/1135719855.db2.gz CGMZQGIUXQCFKH-UHFFFAOYSA-N -1 1 343.807 3.689 20 0 EHADMM CC(C)n1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)cn1 ZINC001197725420 1135731081 /nfs/dbraw/zinc/73/10/81/1135731081.db2.gz ANCZDLWAVUUDCE-UHFFFAOYSA-N -1 1 348.255 3.713 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cn1 ZINC001198265791 1135788567 /nfs/dbraw/zinc/78/85/67/1135788567.db2.gz OUYJSFQTTBMOBF-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1C ZINC001198861057 1135862273 /nfs/dbraw/zinc/86/22/73/1135862273.db2.gz GCRDSBYVZGBPJY-UHFFFAOYSA-N -1 1 344.392 3.500 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2cnc(Cl)c(Cl)c2Cl)o1 ZINC001199332533 1135898686 /nfs/dbraw/zinc/89/86/86/1135898686.db2.gz VYXJRAACHGAKQA-UHFFFAOYSA-N -1 1 349.605 3.975 20 0 EHADMM CCCCCC[C@@H](C)NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809987037 1135908986 /nfs/dbraw/zinc/90/89/86/1135908986.db2.gz TWUXKYPBSUFWEU-SNVBAGLBSA-N -1 1 347.431 3.687 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cncn1CC1CCC1 ZINC001199612496 1135914636 /nfs/dbraw/zinc/91/46/36/1135914636.db2.gz YVGIOIGZIBADMN-UHFFFAOYSA-N -1 1 339.317 3.660 20 0 EHADMM Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000810069980 1135920499 /nfs/dbraw/zinc/92/04/99/1135920499.db2.gz NJDBXBOUNANDEW-LBPRGKRZSA-N -1 1 348.796 3.539 20 0 EHADMM O=S(=O)([N-]CCc1ccccc1)c1cc(Cl)c(Cl)cc1F ZINC001201244130 1135998859 /nfs/dbraw/zinc/99/88/59/1135998859.db2.gz HQRVCVXGTGPEMA-UHFFFAOYSA-N -1 1 348.226 3.654 20 0 EHADMM O=C(Nc1ccc(Br)cc1)Nc1c([O-])cccc1F ZINC001202333333 1136130547 /nfs/dbraw/zinc/13/05/47/1136130547.db2.gz FXXFOGPPVPXEBB-UHFFFAOYSA-N -1 1 325.137 3.938 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1Cl ZINC000811836171 1136143248 /nfs/dbraw/zinc/14/32/48/1136143248.db2.gz GVUDODZMUCCFOI-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM CCc1cc2c(COC(=O)[C@@H]3CC[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000776424432 1136185055 /nfs/dbraw/zinc/18/50/55/1136185055.db2.gz MITVFBDZJRFFOO-DGCLKSJQSA-N -1 1 330.380 3.540 20 0 EHADMM CCSc1cccc(Br)c1[N-]C(=O)c1ncccn1 ZINC000813286682 1136314646 /nfs/dbraw/zinc/31/46/46/1136314646.db2.gz YTGMRLVBUVPDRN-UHFFFAOYSA-N -1 1 338.230 3.603 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC(OC2CCCCC2)CC1 ZINC000747901125 1136405317 /nfs/dbraw/zinc/40/53/17/1136405317.db2.gz QSLWKPSXVVWDFH-UHFFFAOYSA-N -1 1 337.847 4.000 20 0 EHADMM CCOC(=O)c1nc(NC(=O)[C@H](c2ccccc2)C(C)C)[n-]c1Cl ZINC001134101533 1136406751 /nfs/dbraw/zinc/40/67/51/1136406751.db2.gz SIDPKWRGABLUJM-LBPRGKRZSA-N -1 1 349.818 3.618 20 0 EHADMM CCCCC[C@@H](CC)C(=O)Nc1nc(C(=O)OCC)c(Cl)[n-]1 ZINC001134103636 1136407857 /nfs/dbraw/zinc/40/78/57/1136407857.db2.gz VPYJKJJNVKPXCM-SNVBAGLBSA-N -1 1 329.828 3.785 20 0 EHADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-][C@H](c1ccccc1)C(F)F ZINC000814285415 1136434021 /nfs/dbraw/zinc/43/40/21/1136434021.db2.gz HWYPXRFHCRKSSN-JQPIKURYSA-N -1 1 341.354 3.722 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)CCC3CCCC3)[nH]c21 ZINC001134753228 1136527881 /nfs/dbraw/zinc/52/78/81/1136527881.db2.gz HVGIPXDMAONHOC-UHFFFAOYSA-N -1 1 329.400 3.649 20 0 EHADMM COc1cnc(C(=O)[N-]c2cccc(Cl)c2SC(F)F)nc1 ZINC000815231161 1136568980 /nfs/dbraw/zinc/56/89/80/1136568980.db2.gz VABIZYIQNQVLFN-UHFFFAOYSA-N -1 1 345.758 3.706 20 0 EHADMM O=C(Nc1ccnn1C1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000776707521 1136586259 /nfs/dbraw/zinc/58/62/59/1136586259.db2.gz WJJKGBDXSFTNHF-UHFFFAOYSA-N -1 1 339.317 3.975 20 0 EHADMM CC(C)(C)CN(CC(=O)[O-])Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000854244063 1136600929 /nfs/dbraw/zinc/60/09/29/1136600929.db2.gz NXDLGFHHTKOGDP-UHFFFAOYSA-N -1 1 344.242 3.574 20 0 EHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000854565682 1136628128 /nfs/dbraw/zinc/62/81/28/1136628128.db2.gz QYORUWXFDUTAPH-SJCJKPOMSA-N -1 1 333.815 3.630 20 0 EHADMM CC[C@H](C)N(CC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000855144901 1136672028 /nfs/dbraw/zinc/67/20/28/1136672028.db2.gz HPYTVBMOTBHFPR-LBPRGKRZSA-N -1 1 336.432 4.000 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000855600252 1136712405 /nfs/dbraw/zinc/71/24/05/1136712405.db2.gz INDOCTRVVAWCAZ-INIZCTEOSA-N -1 1 347.798 3.633 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cnc2c(F)ccc(F)c2c1 ZINC000816426951 1136714636 /nfs/dbraw/zinc/71/46/36/1136714636.db2.gz CVHCJRBSVPGBAX-UHFFFAOYSA-N -1 1 335.697 3.519 20 0 EHADMM Cc1nc(SCc2c(F)c(F)c(F)c(F)c2F)[n-]c(=O)c1C ZINC000776868917 1136749443 /nfs/dbraw/zinc/74/94/43/1136749443.db2.gz VIDCFNSHLVTVRW-UHFFFAOYSA-N -1 1 336.285 3.787 20 0 EHADMM CCc1nc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)co1 ZINC000817454751 1136808039 /nfs/dbraw/zinc/80/80/39/1136808039.db2.gz IUWQBEKBCGQYSA-UHFFFAOYSA-N -1 1 349.164 3.952 20 0 EHADMM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1c([O-])cccc1Cl ZINC000818314796 1136870515 /nfs/dbraw/zinc/87/05/15/1136870515.db2.gz WQHJQKJNXWAJPX-VIFPVBQESA-N -1 1 336.722 3.536 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173379067 1136928303 /nfs/dbraw/zinc/92/83/03/1136928303.db2.gz IRKFTYBTRWNNNS-OLZOCXBDSA-N -1 1 345.782 3.559 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)[C@H]2CCCCO2)c1 ZINC000858423574 1136966602 /nfs/dbraw/zinc/96/66/02/1136966602.db2.gz LLPAPBPNCXIEBC-IUODEOHRSA-N -1 1 344.377 3.543 20 0 EHADMM CC(C)C[C@H](CNc1cc(Cl)[n-]c(=O)n1)CC(=O)OC(C)(C)C ZINC000858634214 1136983151 /nfs/dbraw/zinc/98/31/51/1136983151.db2.gz OUZJYEWOZMBXKH-NSHDSACASA-N -1 1 343.855 3.642 20 0 EHADMM COc1cnc(C=Cc2c(C)nn(-c3ccccc3)c2Cl)[n-]c1=O ZINC000821012432 1137015821 /nfs/dbraw/zinc/01/58/21/1137015821.db2.gz JEYNGOWGFIFGLI-HJWRWDBZSA-N -1 1 342.786 3.509 20 0 EHADMM Cc1cc(NC(=O)c2ccc(F)c([O-])c2)ccc1N1CCSCC1 ZINC001136549964 1137051363 /nfs/dbraw/zinc/05/13/63/1137051363.db2.gz XHJHKRSXBJPQJO-UHFFFAOYSA-N -1 1 346.427 3.645 20 0 EHADMM O=C([N-]c1cccc(Cl)c1SCC(F)F)c1n[nH]cc1F ZINC001136775645 1137113140 /nfs/dbraw/zinc/11/31/40/1137113140.db2.gz FYWUFMZFASGHNN-UHFFFAOYSA-N -1 1 335.738 3.812 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC001136833909 1137126537 /nfs/dbraw/zinc/12/65/37/1137126537.db2.gz FPBVEVIAAVTKAU-UHFFFAOYSA-N -1 1 336.347 3.840 20 0 EHADMM O=C(OC1CCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000825169842 1137167861 /nfs/dbraw/zinc/16/78/61/1137167861.db2.gz QHQRGUYQOIZFLJ-UHFFFAOYSA-N -1 1 345.420 3.587 20 0 EHADMM CC[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000863415480 1137185485 /nfs/dbraw/zinc/18/54/85/1137185485.db2.gz FSTMMGZEQRJYIW-GFCCVEGCSA-N -1 1 345.420 3.671 20 0 EHADMM CSCCCCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863477436 1137188735 /nfs/dbraw/zinc/18/87/35/1137188735.db2.gz LLANSHBADRNMDE-UHFFFAOYSA-N -1 1 333.457 3.830 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000844031720 1137193726 /nfs/dbraw/zinc/19/37/26/1137193726.db2.gz GHSDDCFBQIUKJM-LSDHHAIUSA-N -1 1 345.487 3.902 20 0 EHADMM COCCOc1ccc(-c2nc(=O)c3c(C)sc(C)c3[n-]2)cc1F ZINC000864355128 1137223276 /nfs/dbraw/zinc/22/32/76/1137223276.db2.gz KPAVVGSLAVEQTP-UHFFFAOYSA-N -1 1 348.399 3.845 20 0 EHADMM O=C([O-])CCc1cccc(CNCc2cccc(OC3CC3)c2F)c1 ZINC000864518543 1137231648 /nfs/dbraw/zinc/23/16/48/1137231648.db2.gz MPEUTDVJTSCDOC-UHFFFAOYSA-N -1 1 343.398 3.674 20 0 EHADMM CC[C@H](C(=O)[O-])N(C)Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000844939048 1137264264 /nfs/dbraw/zinc/26/42/64/1137264264.db2.gz YLSFAQYNSSHCOG-OAHLLOKOSA-N -1 1 349.862 3.746 20 0 EHADMM [O-]c1cc(F)c(CN2CC3(CC(OCc4ccccc4)C3)C2)c(F)c1 ZINC001144560204 1137310013 /nfs/dbraw/zinc/31/00/13/1137310013.db2.gz VNIHYMRGLFHFSC-UHFFFAOYSA-N -1 1 345.389 3.852 20 0 EHADMM O=C([O-])[C@H](c1ccc(Br)cc1F)N1CCCCCCC1 ZINC000846229226 1137342375 /nfs/dbraw/zinc/34/23/75/1137342375.db2.gz ZFIAEGKWRHCSNF-AWEZNQCLSA-N -1 1 344.224 3.980 20 0 EHADMM O=C(NCCc1ccc(F)cc1Cl)c1ccc(Cl)cc1[O-] ZINC001144769597 1137345802 /nfs/dbraw/zinc/34/58/02/1137345802.db2.gz QRWJSIYNFFDAEZ-UHFFFAOYSA-N -1 1 328.170 3.811 20 0 EHADMM C[C@@]1(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@@]1(F)Cl ZINC000846397984 1137349702 /nfs/dbraw/zinc/34/97/02/1137349702.db2.gz DPOBLSWZHMHFPG-OLZOCXBDSA-N -1 1 339.716 3.846 20 0 EHADMM O=S(=O)([N-][C@@H]1CCc2ccc(Cl)cc21)c1ccc(C(F)F)o1 ZINC000867567325 1137381787 /nfs/dbraw/zinc/38/17/87/1137381787.db2.gz UJQYOPHQGKEDQH-LLVKDONJSA-N -1 1 347.770 3.836 20 0 EHADMM O=S(=O)([N-][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(Cl)s1 ZINC000867846788 1137387935 /nfs/dbraw/zinc/38/79/35/1137387935.db2.gz QRSXOPVBZWQFJK-HTQZYQBOSA-N -1 1 345.795 3.577 20 0 EHADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(Br)ccc1[O-] ZINC001146662238 1137392350 /nfs/dbraw/zinc/39/23/50/1137392350.db2.gz RIXTZVDLJLRJNA-NQBHXWOUSA-N -1 1 338.245 3.853 20 0 EHADMM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1nc(Cl)sc1Cl ZINC001146817094 1137394914 /nfs/dbraw/zinc/39/49/14/1137394914.db2.gz CCJVQXHKKYEXKG-UHFFFAOYSA-N -1 1 348.142 3.688 20 0 EHADMM C[C@@]12CCN(C(=O)Cc3ccc([O-])c(Cl)c3)C[C@@H]1C2(Cl)Cl ZINC000868140586 1137398646 /nfs/dbraw/zinc/39/86/46/1137398646.db2.gz BYABMKGNWPKGOM-GXTWGEPZSA-N -1 1 348.657 3.630 20 0 EHADMM C[C@H]1CN(C)c2ccccc2CN1C(=O)c1c([O-])cccc1Cl ZINC001147563413 1137410069 /nfs/dbraw/zinc/41/00/69/1137410069.db2.gz CRRUHQCDDKKJLZ-LBPRGKRZSA-N -1 1 330.815 3.526 20 0 EHADMM O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc2ccc(O)cc2c1[O-] ZINC001147721935 1137411839 /nfs/dbraw/zinc/41/18/39/1137411839.db2.gz LDTRSDRATZIVNN-UHFFFAOYSA-N -1 1 337.379 3.884 20 0 EHADMM C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001148514811 1137426440 /nfs/dbraw/zinc/42/64/40/1137426440.db2.gz SRWJGRGVWIHROK-NSHDSACASA-N -1 1 335.325 3.998 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)c1 ZINC001148780469 1137433406 /nfs/dbraw/zinc/43/34/06/1137433406.db2.gz ZGTDDMPXFCQHMX-KZULUSFZSA-N -1 1 341.382 3.706 20 0 EHADMM C[C@]1(CF)CC(F)(F)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794498 1137434998 /nfs/dbraw/zinc/43/49/98/1137434998.db2.gz JTSLTMFGGKDZOR-GFCCVEGCSA-N -1 1 341.251 3.620 20 0 EHADMM O=C(Nc1nccnc1C1CC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861758 1137436450 /nfs/dbraw/zinc/43/64/50/1137436450.db2.gz WYCYMRBBCLECMS-UHFFFAOYSA-N -1 1 331.375 3.979 20 0 EHADMM O=C(N[C@@H]1CCCc2nccnc21)c1cccc(-c2ccccc2)c1[O-] ZINC001148873349 1137437128 /nfs/dbraw/zinc/43/71/28/1137437128.db2.gz UYKFLRUMIRWKPM-GOSISDBHSA-N -1 1 345.402 3.657 20 0 EHADMM O=C(Nc1ccc2c(c1)N=NC2)c1cc([O-])c(Br)c(O)c1 ZINC001148989662 1137439369 /nfs/dbraw/zinc/43/93/69/1137439369.db2.gz FOPAIMMUAQJIEV-UHFFFAOYSA-N -1 1 348.156 3.710 20 0 EHADMM CC1(c2nsc([N-]C(=O)c3cc4c(ccnc4Cl)o3)n2)CC1 ZINC000869396335 1137449780 /nfs/dbraw/zinc/44/97/80/1137449780.db2.gz QASFPZILEMSJLL-UHFFFAOYSA-N -1 1 334.788 3.637 20 0 EHADMM CC(C)c1ncc(S(=O)(=O)Oc2ccccc2-c2ccccc2)[n-]1 ZINC000122621246 1137454861 /nfs/dbraw/zinc/45/48/61/1137454861.db2.gz MIOAISXFGXPVCV-UHFFFAOYSA-N -1 1 342.420 3.968 20 0 EHADMM CC(C)c1nc(S(=O)(=O)Oc2ccccc2-c2ccccc2)c[n-]1 ZINC000122621246 1137454862 /nfs/dbraw/zinc/45/48/62/1137454862.db2.gz MIOAISXFGXPVCV-UHFFFAOYSA-N -1 1 342.420 3.968 20 0 EHADMM Cc1cc(Cl)cc(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)c1 ZINC001212653073 1137548794 /nfs/dbraw/zinc/54/87/94/1137548794.db2.gz WLXXETAFYZZZSE-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM CC(C)[C@H](CNC(=O)NCc1ccc([O-])c(Cl)c1)c1cccnc1 ZINC000872922344 1137586564 /nfs/dbraw/zinc/58/65/64/1137586564.db2.gz RHLLTNGTDFQMKO-HNNXBMFYSA-N -1 1 347.846 3.680 20 0 EHADMM COc1ccc(-c2ccccc2C)cc1C=C1SC(=O)[N-]C1=O ZINC000874929629 1137626439 /nfs/dbraw/zinc/62/64/39/1137626439.db2.gz KAPRVKDGUGXPTJ-YBEGLDIGSA-N -1 1 325.389 3.995 20 0 EHADMM CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000875522618 1137634655 /nfs/dbraw/zinc/63/46/55/1137634655.db2.gz YSVQGDPZCXSKPY-NSHDSACASA-N -1 1 338.757 3.822 20 0 EHADMM Cc1nc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc(C2CC2)n1 ZINC000127466363 1137735242 /nfs/dbraw/zinc/73/52/42/1137735242.db2.gz QIEVZSKTYZAZHO-CMDGGOBGSA-N -1 1 349.843 3.728 20 0 EHADMM CCO[C@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)C ZINC001137183107 1137842933 /nfs/dbraw/zinc/84/29/33/1137842933.db2.gz DAYXXFNLPDOURH-CQSZACIVSA-N -1 1 333.350 3.592 20 0 EHADMM CCCO[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000108228548 1137888999 /nfs/dbraw/zinc/88/89/99/1137888999.db2.gz QPMRNKPUHVRASL-MRXNPFEDSA-N -1 1 327.424 3.967 20 0 EHADMM O=S(=O)(C=Cc1ccccc1F)[N-]c1c[nH]nc1-c1ccccc1 ZINC000800042178 1137895528 /nfs/dbraw/zinc/89/55/28/1137895528.db2.gz RZTMXJPWPRGUBV-ZHACJKMWSA-N -1 1 343.383 3.628 20 0 EHADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c1 ZINC000800046358 1137895667 /nfs/dbraw/zinc/89/56/67/1137895667.db2.gz PXWCNMSXBRDZKW-UHFFFAOYSA-N -1 1 345.251 3.947 20 0 EHADMM COc1cc(C(=O)Nc2cccc(N(C)C)c2C)cc(Cl)c1[O-] ZINC000135242947 1137964986 /nfs/dbraw/zinc/96/49/86/1137964986.db2.gz JIRFJNOCYOGGLY-UHFFFAOYSA-N -1 1 334.803 3.681 20 0 EHADMM Cc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)[nH]c2c1C(=O)CCC2 ZINC000885674943 1138017888 /nfs/dbraw/zinc/01/78/88/1138017888.db2.gz WSYZFWMAOZMHKD-UHFFFAOYSA-N -1 1 336.750 3.593 20 0 EHADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885676011 1138017904 /nfs/dbraw/zinc/01/79/04/1138017904.db2.gz GXHDUGZHNLPUML-BMIGLBTASA-N -1 1 329.799 3.965 20 0 EHADMM COc1ccc([C@@H](C)CC(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC000886266355 1138062988 /nfs/dbraw/zinc/06/29/88/1138062988.db2.gz IZEWANGGQGFJIK-LBPRGKRZSA-N -1 1 349.377 3.532 20 0 EHADMM Cc1ccc(C)c(NC(=O)Nc2nc(Br)ccc2[O-])c1 ZINC001202753906 1138289847 /nfs/dbraw/zinc/28/98/47/1138289847.db2.gz UNRJFXLVURUXAE-UHFFFAOYSA-N -1 1 336.189 3.811 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)c1 ZINC000337291990 1138522311 /nfs/dbraw/zinc/52/23/11/1138522311.db2.gz MGSOMBLPOGCQJM-UHFFFAOYSA-N -1 1 346.452 3.535 20 0 EHADMM Cc1occc1CN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338353894 1138849344 /nfs/dbraw/zinc/84/93/44/1138849344.db2.gz QHSCANWEYDLHCQ-UHFFFAOYSA-N -1 1 330.771 3.767 20 0 EHADMM CC(C)c1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000178896501 1139724038 /nfs/dbraw/zinc/72/40/38/1139724038.db2.gz BCFNSLAEZWQMEH-HNNXBMFYSA-N -1 1 330.453 3.840 20 0 EHADMM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000181984985 1139944021 /nfs/dbraw/zinc/94/40/21/1139944021.db2.gz NUVBLWOPKXOOKC-LBPRGKRZSA-N -1 1 341.386 3.953 20 0 EHADMM COc1ccc(C[C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000182284387 1139962913 /nfs/dbraw/zinc/96/29/13/1139962913.db2.gz FJHGNZIUROZTTO-LLVKDONJSA-N -1 1 349.814 3.880 20 0 EHADMM CCOc1cc(C(=O)Nc2nnc(C(C)C)s2)cc(Cl)c1[O-] ZINC000186677374 1140216553 /nfs/dbraw/zinc/21/65/53/1140216553.db2.gz ASHLSZBJPNRKCP-UHFFFAOYSA-N -1 1 341.820 3.672 20 0 EHADMM CCOc1cc(C(=O)Nc2ncc(CC)s2)cc(Cl)c1[O-] ZINC000186838751 1140224452 /nfs/dbraw/zinc/22/44/52/1140224452.db2.gz GFJRQAHZMAMJMW-UHFFFAOYSA-N -1 1 326.805 3.716 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cnccc2C)cc1C(C)C ZINC000193716461 1140584682 /nfs/dbraw/zinc/58/46/82/1140584682.db2.gz VYJWYOGGPUUDPO-UHFFFAOYSA-N -1 1 334.441 3.631 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CCCC4(CCCCC4)C3)cnc2n1 ZINC000349056054 1141630743 /nfs/dbraw/zinc/63/07/43/1141630743.db2.gz KKTWSQUJHAXEBB-UHFFFAOYSA-N -1 1 339.439 3.830 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCCC3(CCCCC3)C1)c2=O ZINC000349056054 1141630746 /nfs/dbraw/zinc/63/07/46/1141630746.db2.gz KKTWSQUJHAXEBB-UHFFFAOYSA-N -1 1 339.439 3.830 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000019489156 202009012 /nfs/dbraw/zinc/00/90/12/202009012.db2.gz SJICTUDSFOOFQL-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM COc1ccc(Cl)cc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000038051567 202094174 /nfs/dbraw/zinc/09/41/74/202094174.db2.gz ZHLWFISNKAGOKT-LBPRGKRZSA-N -1 1 325.817 3.716 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000077704790 203398098 /nfs/dbraw/zinc/39/80/98/203398098.db2.gz ZOXDMCOHOYSLNC-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM Cc1ccc(C(C)C)cc1OC(=O)c1sccc1-c1nn[n-]n1 ZINC000737318906 599026810 /nfs/dbraw/zinc/02/68/10/599026810.db2.gz ZFJYCOIYOZHTIU-UHFFFAOYSA-N -1 1 328.397 3.579 20 0 EHADMM Cc1nn(-c2ccccc2)c(CS[C@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000822486316 599132016 /nfs/dbraw/zinc/13/20/16/599132016.db2.gz GFOSDWKBBAFRKF-CYBMUJFWSA-N -1 1 342.472 3.639 20 0 EHADMM COc1ccccc1-c1nc(CN2CCC[C@@H](CC(=O)[O-])C2)cs1 ZINC000533202623 597069468 /nfs/dbraw/zinc/06/94/68/597069468.db2.gz OVZPVVFTLDCVEE-ZDUSSCGKSA-N -1 1 346.452 3.505 20 0 EHADMM c1ccc(C2(CNc3cc(-c4nnn[n-]4)nc4ccccc43)CC2)cc1 ZINC000738426742 599263352 /nfs/dbraw/zinc/26/33/52/599263352.db2.gz GNFHBRDEKGOYJG-UHFFFAOYSA-N -1 1 342.406 3.559 20 0 EHADMM c1ccc(C2(CNc3cc(-c4nn[n-]n4)nc4ccccc43)CC2)cc1 ZINC000738426742 599263354 /nfs/dbraw/zinc/26/33/54/599263354.db2.gz GNFHBRDEKGOYJG-UHFFFAOYSA-N -1 1 342.406 3.559 20 0 EHADMM FC(F)(F)Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822718285 607318722 /nfs/dbraw/zinc/31/87/22/607318722.db2.gz GRQSTKLESOLSPT-UHFFFAOYSA-N -1 1 339.346 3.645 20 0 EHADMM O=C([O-])c1cccc(CNCc2ccc(CSC(F)F)o2)c1 ZINC000756303478 598194351 /nfs/dbraw/zinc/19/43/51/598194351.db2.gz WAIYLPNBVBYCRE-UHFFFAOYSA-N -1 1 327.352 3.723 20 0 EHADMM Clc1ccc(N[C@@H]2CCSc3ccccc32)nc1-c1nnn[n-]1 ZINC000737573304 598575221 /nfs/dbraw/zinc/57/52/21/598575221.db2.gz FULITIUDUYMCIG-LLVKDONJSA-N -1 1 344.831 3.564 20 0 EHADMM Clc1ccc(N[C@@H]2CCSc3ccccc32)nc1-c1nn[n-]n1 ZINC000737573304 598575222 /nfs/dbraw/zinc/57/52/22/598575222.db2.gz FULITIUDUYMCIG-LLVKDONJSA-N -1 1 344.831 3.564 20 0 EHADMM CS[C@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821951482 599562341 /nfs/dbraw/zinc/56/23/41/599562341.db2.gz ZDIMHYPUAATNHB-NEPJUHHUSA-N -1 1 340.456 3.501 20 0 EHADMM CS[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821951482 599562339 /nfs/dbraw/zinc/56/23/39/599562339.db2.gz ZDIMHYPUAATNHB-NEPJUHHUSA-N -1 1 340.456 3.501 20 0 EHADMM CCC1(C)CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000736929651 599718149 /nfs/dbraw/zinc/71/81/49/599718149.db2.gz OSNHNMLVHQXCAF-CQSZACIVSA-N -1 1 332.444 3.532 20 0 EHADMM CC[C@@H](NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1nc(C)cs1 ZINC000736917025 599859813 /nfs/dbraw/zinc/85/98/13/599859813.db2.gz KKWLYUBEYCSLSM-OAHLLOKOSA-N -1 1 348.468 3.773 20 0 EHADMM O=C([O-])c1sc2ccccc2c1CN1CCOc2ccccc2C1 ZINC000324814566 599937418 /nfs/dbraw/zinc/93/74/18/599937418.db2.gz UFUUJVHFPWGUHS-UHFFFAOYSA-N -1 1 339.416 3.994 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000740079704 600083564 /nfs/dbraw/zinc/08/35/64/600083564.db2.gz RTBHWWXYUJOWAH-UHFFFAOYSA-N -1 1 327.355 3.519 20 0 EHADMM CC[C@@](NCc1ccccc1Br)(C(=O)[O-])c1ccccc1 ZINC000048870203 600126584 /nfs/dbraw/zinc/12/65/84/600126584.db2.gz BTLKHYJNNSICGK-KRWDZBQOSA-N -1 1 348.240 3.929 20 0 EHADMM Cc1ccc(OC2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)cc1 ZINC000652394334 600262223 /nfs/dbraw/zinc/26/22/23/600262223.db2.gz ZYZNCQNWCCFFDA-UHFFFAOYSA-N -1 1 343.398 3.876 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1ncc(-c3cccc(Cl)c3)o1)CC2 ZINC000405317736 600294724 /nfs/dbraw/zinc/29/47/24/600294724.db2.gz BMSATBNUIKGIQL-CQSZACIVSA-N -1 1 346.814 3.682 20 0 EHADMM COc1ccc(OC)c([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738047292 600418189 /nfs/dbraw/zinc/41/81/89/600418189.db2.gz CIUDVWIITJAMOU-PIGZYNQJSA-N -1 1 349.814 3.834 20 0 EHADMM CCCCOc1ncccc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737000337 600428800 /nfs/dbraw/zinc/42/88/00/600428800.db2.gz ZSAQGWJDWDSXBB-INIZCTEOSA-N -1 1 348.830 3.829 20 0 EHADMM Cc1cc(CN2CCS[C@H](C)[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000738384687 600490427 /nfs/dbraw/zinc/49/04/27/600490427.db2.gz GRTLTGRGZCVLQB-CJNGLKHVSA-N -1 1 331.437 3.965 20 0 EHADMM Cc1oc(CN2CCS[C@@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000738979087 600491205 /nfs/dbraw/zinc/49/12/05/600491205.db2.gz KQDHPHRCYDVYGK-SUMWQHHRSA-N -1 1 331.437 3.965 20 0 EHADMM CCCOCc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000829523010 600740975 /nfs/dbraw/zinc/74/09/75/600740975.db2.gz OFVOEIDEWYYBPL-GOSISDBHSA-N -1 1 331.387 3.668 20 0 EHADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c(O)cccc2Cl)cc1 ZINC000826126440 600776223 /nfs/dbraw/zinc/77/62/23/600776223.db2.gz BTBIEZVPWVSTRE-UHFFFAOYSA-N -1 1 333.771 3.660 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])c(OC)c1 ZINC000576831001 601805358 /nfs/dbraw/zinc/80/53/58/601805358.db2.gz ZVEDJTNFUXYRAU-HNNXBMFYSA-N -1 1 347.436 3.801 20 0 EHADMM Clc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000826352767 607541023 /nfs/dbraw/zinc/54/10/23/607541023.db2.gz NJBITMPNGIWKHB-UHFFFAOYSA-N -1 1 337.770 3.647 20 0 EHADMM Clc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000826352767 607541024 /nfs/dbraw/zinc/54/10/24/607541024.db2.gz NJBITMPNGIWKHB-UHFFFAOYSA-N -1 1 337.770 3.647 20 0 EHADMM CCCN(Cc1nc(-c2ccccc2)oc1C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358320 602544770 /nfs/dbraw/zinc/54/47/70/602544770.db2.gz BTQKNQXHQMLWHU-INIZCTEOSA-N -1 1 343.427 3.614 20 0 EHADMM CC(C)C[C@@H](CNC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000738811888 602570873 /nfs/dbraw/zinc/57/08/73/602570873.db2.gz PDMVMHXZKPSMTD-NSHDSACASA-N -1 1 339.486 3.644 20 0 EHADMM Cc1sc([C@H](C)NCCNC(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000830957298 603577200 /nfs/dbraw/zinc/57/72/00/603577200.db2.gz OMDJSLNBRZOZFO-VIFPVBQESA-N -1 1 339.848 3.690 20 0 EHADMM C[C@@H](NCC[C@@H]1CCCN(C(=O)[O-])C1)c1ncc(-c2ccccc2)o1 ZINC000825490912 603643204 /nfs/dbraw/zinc/64/32/04/603643204.db2.gz SDHDYYGQZJUECA-CABCVRRESA-N -1 1 343.427 3.772 20 0 EHADMM CN(Cc1coc(-c2cccc(Cl)c2)n1)C1CCN(C(=O)[O-])CC1 ZINC000828409916 603995223 /nfs/dbraw/zinc/99/52/23/603995223.db2.gz CNKQUJLEHYYTTF-UHFFFAOYSA-N -1 1 349.818 3.569 20 0 EHADMM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2c(O)cccc2Cl)cc1 ZINC000825442379 604004502 /nfs/dbraw/zinc/00/45/02/604004502.db2.gz FGQXWMAZOMQFAB-SECBINFHSA-N -1 1 334.759 3.627 20 0 EHADMM C[C@@H](Oc1ccc(CN2CCCC[C@H]2c2ccco2)cc1)C(=O)[O-] ZINC000833544081 604642017 /nfs/dbraw/zinc/64/20/17/604642017.db2.gz WSHYLEKEWJQYPF-PBHICJAKSA-N -1 1 329.396 3.859 20 0 EHADMM CSC[C@@H]1CCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000582186840 604676029 /nfs/dbraw/zinc/67/60/29/604676029.db2.gz TUFRFQZCYDQGOC-HNNXBMFYSA-N -1 1 348.493 3.836 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000833681316 605097779 /nfs/dbraw/zinc/09/77/79/605097779.db2.gz XTJCCPWKVAYFTH-AWEZNQCLSA-N -1 1 345.395 3.552 20 0 EHADMM C[C@@H](Oc1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000833540546 605115352 /nfs/dbraw/zinc/11/53/52/605115352.db2.gz MJDYTSCAVFFHRI-NWDGAFQWSA-N -1 1 335.350 3.668 20 0 EHADMM CC(C)(C(=O)[O-])[C@H](NCc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000833412972 605177620 /nfs/dbraw/zinc/17/76/20/605177620.db2.gz FSIRDRVENBGLND-QGZVFWFLSA-N -1 1 342.370 3.909 20 0 EHADMM C[C@@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820827351 606442708 /nfs/dbraw/zinc/44/27/08/606442708.db2.gz RTZRRNWVEDAZEK-LLVKDONJSA-N -1 1 348.435 3.600 20 0 EHADMM C[C@@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820827351 606442709 /nfs/dbraw/zinc/44/27/09/606442709.db2.gz RTZRRNWVEDAZEK-LLVKDONJSA-N -1 1 348.435 3.600 20 0 EHADMM Cc1ccccc1[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000822350999 606467326 /nfs/dbraw/zinc/46/73/26/606467326.db2.gz IYRDTKMHOQWCLP-OAHLLOKOSA-N -1 1 340.818 3.787 20 0 EHADMM Cc1ccccc1[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000822350999 606467327 /nfs/dbraw/zinc/46/73/27/606467327.db2.gz IYRDTKMHOQWCLP-OAHLLOKOSA-N -1 1 340.818 3.787 20 0 EHADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc2ccccc21 ZINC000820397456 606493435 /nfs/dbraw/zinc/49/34/35/606493435.db2.gz PCAWGDLDJQOZQF-NSHDSACASA-N -1 1 349.419 3.572 20 0 EHADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc2ccccc21 ZINC000820397456 606493436 /nfs/dbraw/zinc/49/34/36/606493436.db2.gz PCAWGDLDJQOZQF-NSHDSACASA-N -1 1 349.419 3.572 20 0 EHADMM Cc1ccc([C@H]2[C@H](C)CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826285010 607901835 /nfs/dbraw/zinc/90/18/35/607901835.db2.gz NKHJWIKGQLTCIB-RDTXWAMCSA-N -1 1 334.427 3.548 20 0 EHADMM Cc1ccc([C@H]2[C@H](C)CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826285010 607901836 /nfs/dbraw/zinc/90/18/36/607901836.db2.gz NKHJWIKGQLTCIB-RDTXWAMCSA-N -1 1 334.427 3.548 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C2CCCCC2)c(-c2nnn[n-]2)s1 ZINC000824131279 607930076 /nfs/dbraw/zinc/93/00/76/607930076.db2.gz YUMZIKFPMIRXGR-UHFFFAOYSA-N -1 1 333.461 3.745 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C2CCCCC2)c(-c2nn[n-]n2)s1 ZINC000824131279 607930077 /nfs/dbraw/zinc/93/00/77/607930077.db2.gz YUMZIKFPMIRXGR-UHFFFAOYSA-N -1 1 333.461 3.745 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000049842254 948912770 /nfs/dbraw/zinc/91/27/70/948912770.db2.gz DQKHCPWTOWTPQU-SNVBAGLBSA-N -1 1 332.263 3.587 20 0 EHADMM CCCCc1nc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2[nH]1 ZINC000353961123 971530547 /nfs/dbraw/zinc/53/05/47/971530547.db2.gz MRSPQWIRQMAPPA-CHWSQXEVSA-N -1 1 343.427 3.735 20 0 EHADMM CC(C)[C@H]1CCC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001574093601 949110202 /nfs/dbraw/zinc/11/02/02/949110202.db2.gz WLFDYHSRDKSQFN-IUCAKERBSA-N -1 1 326.857 3.603 20 0 EHADMM CN1CCN(Cc2cccc(C(=O)[O-])c2Cl)[C@@H](c2ccccc2)C1 ZINC000381525255 971763588 /nfs/dbraw/zinc/76/35/88/971763588.db2.gz NUVILOCAQMTTHB-QGZVFWFLSA-N -1 1 344.842 3.527 20 0 EHADMM O=C([O-])[C@H]1C[C@H](NCc2cc(Cl)cc3c2OCC3)c2ccccc21 ZINC000417620771 953413312 /nfs/dbraw/zinc/41/33/12/953413312.db2.gz GMAMTDUXHIQYSK-IRXDYDNUSA-N -1 1 343.810 3.678 20 0 EHADMM COc1cc(Cl)c(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc1Cl ZINC000424425883 953481674 /nfs/dbraw/zinc/48/16/74/953481674.db2.gz ZZLFCFJSZCBGQB-XPTSAGLGSA-N -1 1 332.227 3.687 20 0 EHADMM O=C([O-])[C@H]1CN(CCOc2ccc(F)cc2Cl)Cc2ccccc21 ZINC000652469826 954087421 /nfs/dbraw/zinc/08/74/21/954087421.db2.gz FUIPMWUAJAITBU-HNNXBMFYSA-N -1 1 349.789 3.542 20 0 EHADMM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000663035177 954409046 /nfs/dbraw/zinc/40/90/46/954409046.db2.gz WBGGTXPWXVPNAR-CQSZACIVSA-N -1 1 329.400 3.516 20 0 EHADMM COC[C@@H](NCc1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000903687713 956868728 /nfs/dbraw/zinc/86/87/28/956868728.db2.gz KHPACCNORQNHRQ-CYBMUJFWSA-N -1 1 325.817 3.577 20 0 EHADMM O=C([O-])c1cc(NC(=O)c2cc(Cl)ccc2O)ccc1Cl ZINC000037403924 957275870 /nfs/dbraw/zinc/27/58/70/957275870.db2.gz AXIBDIBXIZDPAD-UHFFFAOYSA-N -1 1 326.135 3.650 20 0 EHADMM Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1Br ZINC001594403446 958871335 /nfs/dbraw/zinc/87/13/35/958871335.db2.gz KKBNBVCPKNBMMT-HNNXBMFYSA-N -1 1 334.213 3.673 20 0 EHADMM CCCCc1nc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2[nH]1 ZINC000236945195 960805730 /nfs/dbraw/zinc/80/57/30/960805730.db2.gz APOSDAPSLLWREZ-UHFFFAOYSA-N -1 1 337.379 3.856 20 0 EHADMM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)o2)C[C@H]1c1ccc(F)cc1F ZINC001350610794 962551611 /nfs/dbraw/zinc/55/16/11/962551611.db2.gz LNGOKPPGUWBNRL-QWHCGFSZSA-N -1 1 341.741 3.511 20 0 EHADMM Cc1cc(Br)c(CN2CC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000263498860 962683294 /nfs/dbraw/zinc/68/32/94/962683294.db2.gz KIKMFKDRAFXQOC-AWEZNQCLSA-N -1 1 346.652 3.708 20 0 EHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2Br)C1 ZINC000263153016 967855292 /nfs/dbraw/zinc/85/52/92/967855292.db2.gz FMUAQSXKFHXBRO-ONGXEEELSA-N -1 1 346.652 3.645 20 0 EHADMM COc1cc(Cl)c(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263308482 967868766 /nfs/dbraw/zinc/86/87/66/967868766.db2.gz HQQADHQFVNOMIJ-NXEZZACHSA-N -1 1 332.227 3.687 20 0 EHADMM CC1(C(=O)[O-])CCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000647376082 968573541 /nfs/dbraw/zinc/57/35/41/968573541.db2.gz MJYKSRQSFGTKIH-UHFFFAOYSA-N -1 1 344.480 3.615 20 0 EHADMM O=C([O-])C1CCN(c2ccc(CN3CC[C@H]3c3ccccc3)o2)CC1 ZINC000904189139 969597662 /nfs/dbraw/zinc/59/76/62/969597662.db2.gz BOXITJHSPZWFNN-SFHVURJKSA-N -1 1 340.423 3.528 20 0 EHADMM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC000396461846 1014145148 /nfs/dbraw/zinc/14/51/48/1014145148.db2.gz JSFXIARPPOAGCQ-UHFFFAOYSA-N -1 1 337.416 3.771 20 0 EHADMM Cc1nnc(-c2cccc(NCc3cccc([O-])c3Cl)c2)n1C ZINC000339314578 1014207797 /nfs/dbraw/zinc/20/77/97/1014207797.db2.gz IMJJVIPWRYQWFG-UHFFFAOYSA-N -1 1 328.803 3.762 20 0 EHADMM O=C([O-])c1coc(CN2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000568404342 974670315 /nfs/dbraw/zinc/67/03/15/974670315.db2.gz OKZJOTLWAWGVAH-UHFFFAOYSA-N -1 1 346.452 3.693 20 0 EHADMM CO[C@H](CN(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccc(Cl)cc1 ZINC000574047040 974775922 /nfs/dbraw/zinc/77/59/22/974775922.db2.gz QJXBUTLUQZNFQA-MRXNPFEDSA-N -1 1 337.803 3.759 20 0 EHADMM COCc1ccc([C@@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2C)o1 ZINC000576046264 974806919 /nfs/dbraw/zinc/80/69/19/974806919.db2.gz GGEXVHJSEHLVKL-WMZOPIPTSA-N -1 1 329.396 3.697 20 0 EHADMM C[C@]1(CCc2ccccc2)CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000577071069 974828417 /nfs/dbraw/zinc/82/84/17/974828417.db2.gz JEZRPLOLZRXKDL-SFHVURJKSA-N -1 1 330.453 3.686 20 0 EHADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccsc1 ZINC000061368007 1014220383 /nfs/dbraw/zinc/22/03/83/1014220383.db2.gz CGJOYBDFRLOKNF-QMMMGPOBSA-N -1 1 326.215 3.707 20 0 EHADMM C[C@H](CN(C)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C(=O)[O-] ZINC000629359239 975082416 /nfs/dbraw/zinc/08/24/16/975082416.db2.gz QVUPHUWBOPJNCT-SECBINFHSA-N -1 1 343.210 3.801 20 0 EHADMM CCOC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000652394261 975520403 /nfs/dbraw/zinc/52/04/03/975520403.db2.gz SLOKGWQOTXXMTD-AWEZNQCLSA-N -1 1 332.227 3.620 20 0 EHADMM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001299153577 1014378425 /nfs/dbraw/zinc/37/84/25/1014378425.db2.gz KAYRHNACBQLZIH-IUODEOHRSA-N -1 1 348.443 3.904 20 0 EHADMM O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000683123406 1014408153 /nfs/dbraw/zinc/40/81/53/1014408153.db2.gz PEUVVAVTQTYQSL-ZDUSSCGKSA-N -1 1 331.240 3.704 20 0 EHADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1cc2nccnc2cc1F ZINC000471113938 1014495988 /nfs/dbraw/zinc/49/59/88/1014495988.db2.gz UBRMFHRYTJBEAR-UHFFFAOYSA-N -1 1 337.688 3.953 20 0 EHADMM CCc1cccc(C)c1NC(=O)CNC1(C(=O)[O-])CCC(CC)CC1 ZINC000830260141 979015665 /nfs/dbraw/zinc/01/56/65/979015665.db2.gz SQYOXEMGZMNGCP-UHFFFAOYSA-N -1 1 346.471 3.509 20 0 EHADMM CN(Cc1c(C2CC2)nc2sccn12)Cc1ccc(C(=O)[O-])cc1 ZINC000901591354 980397460 /nfs/dbraw/zinc/39/74/60/980397460.db2.gz WATFCCXZXVNUJI-UHFFFAOYSA-N -1 1 341.436 3.603 20 0 EHADMM CC[C@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1c(C)noc1C ZINC001595298964 980422584 /nfs/dbraw/zinc/42/25/84/980422584.db2.gz GAKFCBILHMYKGZ-INIZCTEOSA-N -1 1 339.395 3.779 20 0 EHADMM CCc1oc(CNCc2cc(Br)cs2)cc1C(=O)[O-] ZINC000902138562 980752870 /nfs/dbraw/zinc/75/28/70/980752870.db2.gz IZVCCOAYARDANV-UHFFFAOYSA-N -1 1 344.230 3.654 20 0 EHADMM CC[C@H](C)C(=O)Nc1cccc(CNCc2cc(C(=O)[O-])oc2C)c1 ZINC000902143211 980755404 /nfs/dbraw/zinc/75/54/04/980755404.db2.gz FXKSCMUJHQHTPI-LBPRGKRZSA-N -1 1 344.411 3.561 20 0 EHADMM O=C([O-])c1ccc(CN[C@@H]2CCc3cc(Br)ccc32)o1 ZINC000902173041 980767576 /nfs/dbraw/zinc/76/75/76/980767576.db2.gz FTLCURIQRAJBFT-CYBMUJFWSA-N -1 1 336.185 3.517 20 0 EHADMM O=C([O-])c1cc(CN2CCC(c3cccc4ccccc43)CC2)on1 ZINC000902200027 980779159 /nfs/dbraw/zinc/77/91/59/980779159.db2.gz GVRVAZFNICBSRX-UHFFFAOYSA-N -1 1 336.391 3.906 20 0 EHADMM CC(C)[C@H](NCc1cc(C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC000902213464 980785392 /nfs/dbraw/zinc/78/53/92/980785392.db2.gz BCMCRHLNVYUWAS-AWEZNQCLSA-N -1 1 342.317 3.879 20 0 EHADMM Cc1oc(CNC[C@@H](c2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC000902342609 980841813 /nfs/dbraw/zinc/84/18/13/980841813.db2.gz JYPNCCSIHYTHAW-AWEZNQCLSA-N -1 1 327.302 3.722 20 0 EHADMM CCc1oc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1C(=O)[O-] ZINC000902351622 980845865 /nfs/dbraw/zinc/84/58/65/980845865.db2.gz UAUJWNHXLFMKRD-KBXCAEBGSA-N -1 1 343.423 3.798 20 0 EHADMM CN(CCC(C)(C)C(=O)[O-])Cc1ccc(F)cc1Br ZINC000902447807 980892260 /nfs/dbraw/zinc/89/22/60/980892260.db2.gz GUVKYDQPMMDXJA-UHFFFAOYSA-N -1 1 332.213 3.521 20 0 EHADMM O=C([O-])c1cnc([C@H]2CCN(Cc3cc(F)cc(Cl)c3)C2)s1 ZINC000905740395 981133651 /nfs/dbraw/zinc/13/36/51/981133651.db2.gz PAOJSNWIWAXENN-JTQLQIEISA-N -1 1 340.807 3.623 20 0 EHADMM CCCCn1cc(CNCc2ccc(C(=O)[O-])c(Cl)c2)c(C)n1 ZINC001595805630 982632174 /nfs/dbraw/zinc/63/21/74/982632174.db2.gz ZUVIDWOUALTOPP-UHFFFAOYSA-N -1 1 335.835 3.633 20 0 EHADMM CCN(CCc1ccccn1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001596352648 983811838 /nfs/dbraw/zinc/81/18/38/983811838.db2.gz RXGRYAFDNBVRQJ-MRXNPFEDSA-N -1 1 336.794 3.564 20 0 EHADMM C[C@H](c1ccccc1)N(CCO)Cc1cccc(C(=O)[O-])c1Cl ZINC001599905590 984918237 /nfs/dbraw/zinc/91/82/37/984918237.db2.gz RMTXWNNLXYWKKS-CYBMUJFWSA-N -1 1 333.815 3.594 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC001599941613 985461884 /nfs/dbraw/zinc/46/18/84/985461884.db2.gz UYSXREOTPPCCDW-UHFFFAOYSA-N -1 1 342.376 3.502 20 0 EHADMM C[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001594499851 985668501 /nfs/dbraw/zinc/66/85/01/985668501.db2.gz FXPUDMZVAGNTBC-SJCJKPOMSA-N -1 1 331.799 3.749 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC2(CCCCC2)O1 ZINC001594499863 985669198 /nfs/dbraw/zinc/66/91/98/985669198.db2.gz GBHCDRVGLSNIMY-CJNGLKHVSA-N -1 1 337.847 3.889 20 0 EHADMM Cc1[nH]c(SCc2ncccc2C(=O)[O-])nc1Cc1ccccc1 ZINC001599965891 985904250 /nfs/dbraw/zinc/90/42/50/985904250.db2.gz LLBSGJJHYFOWAJ-UHFFFAOYSA-N -1 1 339.420 3.694 20 0 EHADMM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)ccc2cncn21 ZINC001599982870 986188432 /nfs/dbraw/zinc/18/84/32/986188432.db2.gz ITDGAUGHMFAXCD-UHFFFAOYSA-N -1 1 345.358 3.746 20 0 EHADMM CCc1csc(CC2CCN(C(=O)c3ccc([O-])cc3F)CC2)n1 ZINC000655262504 1015279716 /nfs/dbraw/zinc/27/97/16/1015279716.db2.gz ZQSYGDXTDMBDNA-UHFFFAOYSA-N -1 1 348.443 3.645 20 0 EHADMM CCc1ccc([C@@H]2CCN(Cc3nc4cc(C(=O)[O-])ccc4[nH]3)C2)cc1 ZINC001597518555 988138072 /nfs/dbraw/zinc/13/80/72/988138072.db2.gz VZSZGSQIWZHSEQ-QGZVFWFLSA-N -1 1 349.434 3.813 20 0 EHADMM CCc1ccc([C@H]2CCCCCN2Cc2ccc(C(=O)[O-])n2C)o1 ZINC001597518609 988138199 /nfs/dbraw/zinc/13/81/99/988138199.db2.gz WWQAKYITFPVGIZ-MRXNPFEDSA-N -1 1 330.428 3.996 20 0 EHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1OC(F)F ZINC001599841756 988850223 /nfs/dbraw/zinc/85/02/23/988850223.db2.gz IQUQRRAAZSKSQY-SNVBAGLBSA-N -1 1 339.313 3.976 20 0 EHADMM C[C@@H](c1ccccc1)N(CCO)Cc1cccc(C(=O)[O-])c1Cl ZINC001599847570 988959152 /nfs/dbraw/zinc/95/91/52/988959152.db2.gz RMTXWNNLXYWKKS-ZDUSSCGKSA-N -1 1 333.815 3.594 20 0 EHADMM COCc1cccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000533468253 1015604650 /nfs/dbraw/zinc/60/46/50/1015604650.db2.gz SKTDGVPIRTWQOV-UHFFFAOYSA-N -1 1 330.331 3.640 20 0 EHADMM COc1ccccc1C(C)(C)NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599697172 991165621 /nfs/dbraw/zinc/16/56/21/991165621.db2.gz HKRCXAXLTYJLPM-UHFFFAOYSA-N -1 1 342.439 3.556 20 0 EHADMM CC(C)[C@H]1CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001591086761 991603969 /nfs/dbraw/zinc/60/39/69/991603969.db2.gz DYKZCTVSCXJXTI-JTQLQIEISA-N -1 1 330.222 3.608 20 0 EHADMM CN(Cc1cc(C(=O)[O-])ccc1Cl)C1CC(OC(C)(C)C)C1 ZINC001598507880 992530877 /nfs/dbraw/zinc/53/08/77/992530877.db2.gz WEAGRVKRFVWXID-UHFFFAOYSA-N -1 1 325.836 3.816 20 0 EHADMM COc1ccc(OC)c(CN[C@H](C)c2ccc(C(=O)[O-])cc2C)c1 ZINC001599601804 993826432 /nfs/dbraw/zinc/82/64/32/993826432.db2.gz CBGUHSRLHQFPSU-CYBMUJFWSA-N -1 1 329.396 3.561 20 0 EHADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000339889684 1015830133 /nfs/dbraw/zinc/83/01/33/1015830133.db2.gz AHQKPJDYWXCRHF-ZETCQYMHSA-N -1 1 329.158 3.724 20 0 EHADMM C[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1OCC(=O)[O-] ZINC001593232268 994382874 /nfs/dbraw/zinc/38/28/74/994382874.db2.gz NETRIMFINGXGPU-SJCJKPOMSA-N -1 1 329.371 3.627 20 0 EHADMM C[C@H](NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ncc(C(=O)[O-])s1 ZINC001593286878 994650196 /nfs/dbraw/zinc/65/01/96/994650196.db2.gz YQIWECQCBGTEID-UFGOTCBOSA-N -1 1 338.379 3.541 20 0 EHADMM C[C@@H](NCc1occc1C(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC001593317662 994821399 /nfs/dbraw/zinc/82/13/99/994821399.db2.gz SJNRJVXEQQXPOS-SECBINFHSA-N -1 1 329.274 3.727 20 0 EHADMM COc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)c1 ZINC001599672933 994845659 /nfs/dbraw/zinc/84/56/59/994845659.db2.gz AJHSMTQJRBFCNT-HNNXBMFYSA-N -1 1 340.206 3.918 20 0 EHADMM CNc1ccccc1CN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001598679295 994900428 /nfs/dbraw/zinc/90/04/28/994900428.db2.gz CVGOXYPOWMENRF-CQSZACIVSA-N -1 1 331.441 3.529 20 0 EHADMM C[C@@H](c1c(F)cccc1F)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593688056 996129369 /nfs/dbraw/zinc/12/93/69/996129369.db2.gz YWFCRTZYYITMLY-VHSXEESVSA-N -1 1 338.379 3.670 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1Cc2ccccc2OC2(CCC2)C1 ZINC001593690522 996135956 /nfs/dbraw/zinc/13/59/56/996135956.db2.gz RWKDIMPTVOWVKL-CYBMUJFWSA-N -1 1 327.380 3.856 20 0 EHADMM CC1(C)CCC[C@@](NCc2cnc(-c3ccccc3)o2)(C(=O)[O-])C1 ZINC001593896459 996753653 /nfs/dbraw/zinc/75/36/53/996753653.db2.gz XUQWVXORKLRJLK-IBGZPJMESA-N -1 1 328.412 3.855 20 0 EHADMM CC[C@@H](c1nnc([N-]C(=O)c2cncs2)s1)c1ccccc1 ZINC000340019276 1016132106 /nfs/dbraw/zinc/13/21/06/1016132106.db2.gz DEMSDKNDQVKNPB-LLVKDONJSA-N -1 1 330.438 3.789 20 0 EHADMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1ncoc1C1CC1 ZINC000340043247 1016163641 /nfs/dbraw/zinc/16/36/41/1016163641.db2.gz SJWJOWFECZIVNY-UHFFFAOYSA-N -1 1 344.421 3.807 20 0 EHADMM COc1ccc(C[N@@H+](Cc2[nH]cc(C(=O)[O-])c2C2CC2)C2CC2)cc1 ZINC001599558702 998145352 /nfs/dbraw/zinc/14/53/52/998145352.db2.gz OISVZTYCYQNAKI-UHFFFAOYSA-N -1 1 340.423 3.764 20 0 EHADMM COc1ccc(CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C2CC2)cc1 ZINC001599558702 998145361 /nfs/dbraw/zinc/14/53/61/998145361.db2.gz OISVZTYCYQNAKI-UHFFFAOYSA-N -1 1 340.423 3.764 20 0 EHADMM COc1ccc(Cl)c(CN[C@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599576957 998459506 /nfs/dbraw/zinc/45/95/06/998459506.db2.gz OXSPJJQMEWBOBA-GFCCVEGCSA-N -1 1 349.814 3.663 20 0 EHADMM CC[C@H]1CCCC[C@@H]1C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001266467215 1016860483 /nfs/dbraw/zinc/86/04/83/1016860483.db2.gz JBDVKLJNIIRLFF-RYUDHWBXSA-N -1 1 329.400 3.504 20 0 EHADMM O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc([O-])cc1F ZINC000181135469 1016909966 /nfs/dbraw/zinc/90/99/66/1016909966.db2.gz FNBYOBSCXPQBDC-UHFFFAOYSA-N -1 1 331.240 3.619 20 0 EHADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1 ZINC000340366812 1017044810 /nfs/dbraw/zinc/04/48/10/1017044810.db2.gz OQBGEPCPYXZFCF-UHFFFAOYSA-N -1 1 344.480 3.631 20 0 EHADMM Cc1ccc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc1C ZINC000160397236 1032365512 /nfs/dbraw/zinc/36/55/12/1032365512.db2.gz OESSVCYCSYSPOH-UHFFFAOYSA-N -1 1 335.766 3.562 20 0 EHADMM O=C(Nc1cccc2c1OCC[C@H]2O)c1cc2ccccc2cc1[O-] ZINC000185276151 1032375080 /nfs/dbraw/zinc/37/50/80/1032375080.db2.gz RCKOKUVXSNNDJE-QGZVFWFLSA-N -1 1 335.359 3.614 20 0 EHADMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000151882913 1032440133 /nfs/dbraw/zinc/44/01/33/1032440133.db2.gz DYFAZUBQBQJZPE-GTNSWQLSSA-N -1 1 331.799 3.510 20 0 EHADMM O=C(OC[C@H](F)C(F)(F)F)c1cccc2nc(C(F)F)[nH]c21 ZINC000924085773 1017450308 /nfs/dbraw/zinc/45/03/08/1017450308.db2.gz RVHJCKJLJSZNFX-ZETCQYMHSA-N -1 1 326.196 3.558 20 0 EHADMM Cc1nc(SCc2nc3ccccc3n2C(F)F)[n-]c(=O)c1C ZINC000537414751 1032714306 /nfs/dbraw/zinc/71/43/06/1032714306.db2.gz SYDZIUSFNYHPGS-UHFFFAOYSA-N -1 1 336.367 3.836 20 0 EHADMM COc1cccc2cc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)oc21 ZINC000613667693 1017682623 /nfs/dbraw/zinc/68/26/23/1017682623.db2.gz DHKAEOMXPBNJAL-UHFFFAOYSA-N -1 1 349.346 3.789 20 0 EHADMM C[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)N1CCc2ccccc21 ZINC000656014758 1018228706 /nfs/dbraw/zinc/22/87/06/1018228706.db2.gz VZUSLWWWHPDLGL-LBPRGKRZSA-N -1 1 339.370 3.575 20 0 EHADMM CCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119174 1018786874 /nfs/dbraw/zinc/78/68/74/1018786874.db2.gz OOIAOGBPYVIXDM-UHFFFAOYSA-N -1 1 332.425 3.616 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)ccc1F ZINC000513384559 1019612121 /nfs/dbraw/zinc/61/21/21/1019612121.db2.gz PMAPYBLWWZGWLS-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM CCOc1cc(C(=O)Nc2cc3c(cc2C)OCO3)cc(Cl)c1[O-] ZINC000545843549 1019834510 /nfs/dbraw/zinc/83/45/10/1019834510.db2.gz VPJSCVPPHUVFDX-UHFFFAOYSA-N -1 1 349.770 3.734 20 0 EHADMM Cc1c(S(=O)(=O)[N-]c2cc(F)ccc2F)c2ccccc2n1C ZINC000340742935 1019909520 /nfs/dbraw/zinc/90/95/20/1019909520.db2.gz SIIAFGDFBAEMKQ-UHFFFAOYSA-N -1 1 336.363 3.566 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N(CC(F)F)CC1CCC1 ZINC000345283812 1020111741 /nfs/dbraw/zinc/11/17/41/1020111741.db2.gz JPAQJGRNLLAUJU-UHFFFAOYSA-N -1 1 348.187 3.662 20 0 EHADMM C[C@H]1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C[C@H]1C(=O)[O-] ZINC000581250159 1020585307 /nfs/dbraw/zinc/58/53/07/1020585307.db2.gz AHKMZTUJSLSNJV-CMPLNLGQSA-N -1 1 345.270 3.602 20 0 EHADMM CCc1cc2c(COC(=O)CCC(C)(F)F)cc(=O)oc2cc1[O-] ZINC000728328668 1020746262 /nfs/dbraw/zinc/74/62/62/1020746262.db2.gz XHJBQHSRZOAZLV-UHFFFAOYSA-N -1 1 340.322 3.540 20 0 EHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000341058862 1020944623 /nfs/dbraw/zinc/94/46/23/1020944623.db2.gz FISBWZBCXVPPRT-PLNGDYQASA-N -1 1 344.436 3.787 20 0 EHADMM O=C(COc1ccc(C(F)(F)F)cc1)Nc1c([O-])cccc1F ZINC000605440144 1021142290 /nfs/dbraw/zinc/14/22/90/1021142290.db2.gz LIPFSQJPGLGZKR-UHFFFAOYSA-N -1 1 329.249 3.568 20 0 EHADMM O=C(NC(c1ccccc1)c1ccccc1)c1csc(=NC2CC2)[n-]1 ZINC000607052301 1032956894 /nfs/dbraw/zinc/95/68/94/1032956894.db2.gz HGSHAKJYHJHXIE-UHFFFAOYSA-N -1 1 349.459 3.659 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000439121987 1021166188 /nfs/dbraw/zinc/16/61/88/1021166188.db2.gz WKWJVVKSKLMCST-MNOVXSKESA-N -1 1 345.374 3.581 20 0 EHADMM O=S(=O)([N-]Cc1csc2ccccc12)c1cccc(F)c1F ZINC000507392408 1021229007 /nfs/dbraw/zinc/22/90/07/1021229007.db2.gz RYPUHVUDMWWOLQ-UHFFFAOYSA-N -1 1 339.388 3.658 20 0 EHADMM CCN(C(=O)c1ncccc1[O-])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000427232676 1021242628 /nfs/dbraw/zinc/24/26/28/1021242628.db2.gz VMTDMJBMQPLJJH-INIZCTEOSA-N -1 1 330.403 3.656 20 0 EHADMM CCCc1c(NC(=O)c2ccccc2[O-])cnn1-c1cccc(F)c1 ZINC000436817702 1021244110 /nfs/dbraw/zinc/24/41/10/1021244110.db2.gz YHEWPVRQEZRBLM-UHFFFAOYSA-N -1 1 339.370 3.922 20 0 EHADMM O=C(Nc1cc(-c2ccc(Br)o2)no1)c1ccccc1[O-] ZINC000436805443 1021251024 /nfs/dbraw/zinc/25/10/24/1021251024.db2.gz DTQCMGQWOWCLBO-UHFFFAOYSA-N -1 1 349.140 3.655 20 0 EHADMM Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000436811276 1021255121 /nfs/dbraw/zinc/25/51/21/1021255121.db2.gz IWUJMZYDXMJRPJ-UHFFFAOYSA-N -1 1 329.356 3.611 20 0 EHADMM COc1ccc2nc(C)cc(C(=O)Nc3ccc(F)cc3[O-])c2c1 ZINC000436812793 1021257374 /nfs/dbraw/zinc/25/73/74/1021257374.db2.gz NAMHNLFHZWWMGW-UHFFFAOYSA-N -1 1 326.327 3.649 20 0 EHADMM O=S(=O)([N-]CCc1cccc2ccccc21)c1cccc(F)c1F ZINC000507434280 1021263959 /nfs/dbraw/zinc/26/39/59/1021263959.db2.gz LVXOPOSJBFNCKQ-UHFFFAOYSA-N -1 1 347.386 3.639 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])CC(C)(C)C1 ZINC000436834289 1021265931 /nfs/dbraw/zinc/26/59/31/1021265931.db2.gz LZFNIWRSJRWTGJ-JTQLQIEISA-N -1 1 326.234 3.663 20 0 EHADMM CCC(CC)n1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)n1 ZINC000656768067 1021304098 /nfs/dbraw/zinc/30/40/98/1021304098.db2.gz UNWAIVUYCRZGIZ-BZSNNMDCSA-N -1 1 333.476 3.710 20 0 EHADMM [O-]c1ccc(-c2noc(CCc3cnc4ccccc4c3)n2)c(F)c1 ZINC000436875229 1021316321 /nfs/dbraw/zinc/31/63/21/1021316321.db2.gz TZQOOSPEUVRZFG-UHFFFAOYSA-N -1 1 335.338 3.915 20 0 EHADMM Cc1ccc(C(=O)CCc2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000436877289 1021321263 /nfs/dbraw/zinc/32/12/63/1021321263.db2.gz FTZGEYNVGJSOLT-UHFFFAOYSA-N -1 1 332.356 3.767 20 0 EHADMM COc1cccc(Cl)c1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436876845 1021323380 /nfs/dbraw/zinc/32/33/80/1021323380.db2.gz BPIQZVXTDZURIA-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM Cc1ccc2c(c1)CC[C@H](c1nc(-c3ccc([O-])c(F)c3)no1)O2 ZINC000436880229 1021329500 /nfs/dbraw/zinc/32/95/00/1021329500.db2.gz QDYYICKLAUJUAT-MRXNPFEDSA-N -1 1 326.327 3.956 20 0 EHADMM O=c1ccnc(C(=Cc2ccc([O-])c(Cl)c2)Cc2ccccc2)[nH]1 ZINC000436887402 1021340502 /nfs/dbraw/zinc/34/05/02/1021340502.db2.gz JNKZJMOVQFYDIE-RVDMUPIBSA-N -1 1 338.794 3.912 20 0 EHADMM O=C(NCCc1cccc(F)c1F)c1ccc2ccccc2c1[O-] ZINC000436917035 1021372855 /nfs/dbraw/zinc/37/28/55/1021372855.db2.gz CJDKSBMOIFJEER-UHFFFAOYSA-N -1 1 327.330 3.796 20 0 EHADMM Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000516390939 1021381018 /nfs/dbraw/zinc/38/10/18/1021381018.db2.gz JHEVSFLNMQOGJY-UHFFFAOYSA-N -1 1 347.484 3.570 20 0 EHADMM COc1cc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c(C)cc1C ZINC000436927474 1021388876 /nfs/dbraw/zinc/38/88/76/1021388876.db2.gz OBSXEEDJDPHKSF-UHFFFAOYSA-N -1 1 335.787 3.932 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N(CC1CC1)CC1CCC1 ZINC000436928654 1021389007 /nfs/dbraw/zinc/38/90/07/1021389007.db2.gz BTMDBACKTVDPRY-UHFFFAOYSA-N -1 1 338.245 3.807 20 0 EHADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897613810 1032976549 /nfs/dbraw/zinc/97/65/49/1032976549.db2.gz RKBIPMXPEJEIRV-LKFCYVNXSA-N -1 1 339.313 3.664 20 0 EHADMM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c([O-])cccc1F ZINC000436944630 1021405319 /nfs/dbraw/zinc/40/53/19/1021405319.db2.gz NHWFCRFMTBYEAE-GWCFXTLKSA-N -1 1 339.288 3.836 20 0 EHADMM COc1ccc(C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)c([O-])c1 ZINC000436964979 1021412832 /nfs/dbraw/zinc/41/28/32/1021412832.db2.gz HGLFYRUCRXNHBD-UHFFFAOYSA-N -1 1 345.395 3.794 20 0 EHADMM CCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H](CC)c1ccccc1 ZINC000436959079 1021422945 /nfs/dbraw/zinc/42/29/45/1021422945.db2.gz FEQMWVGPPFRANV-SFHVURJKSA-N -1 1 325.408 3.965 20 0 EHADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(Br)ccc1[O-] ZINC000436973705 1021427974 /nfs/dbraw/zinc/42/79/74/1021427974.db2.gz UNGRNHLSPHOUKJ-SUNKGSAMSA-N -1 1 338.245 3.948 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1 ZINC000172887858 1032982659 /nfs/dbraw/zinc/98/26/59/1032982659.db2.gz KRTYRXMVQIATOY-UHFFFAOYSA-N -1 1 343.404 3.717 20 0 EHADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)C1(c2ccccc2)CC1 ZINC000289512162 1021753517 /nfs/dbraw/zinc/75/35/17/1021753517.db2.gz LVRKXUYHMAOOPO-UHFFFAOYSA-N -1 1 336.363 3.513 20 0 EHADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000440820079 1021790512 /nfs/dbraw/zinc/79/05/12/1021790512.db2.gz NNOBGHOXOXKNDU-LBPRGKRZSA-N -1 1 341.798 3.722 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000188116348 1021828589 /nfs/dbraw/zinc/82/85/89/1021828589.db2.gz CEKCZKAEHBAHJQ-GFCCVEGCSA-N -1 1 345.468 3.575 20 0 EHADMM COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccccc2C(=O)[O-])c1 ZINC000581830109 1021844173 /nfs/dbraw/zinc/84/41/73/1021844173.db2.gz ZOPMSFDFSIZQAP-SFHVURJKSA-N -1 1 341.407 3.739 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1cc(Cl)sc1Cl ZINC000519997621 1021860666 /nfs/dbraw/zinc/86/06/66/1021860666.db2.gz YGVVXLXEOOCHCS-MRVPVSSYSA-N -1 1 326.270 3.690 20 0 EHADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000440101145 1021952326 /nfs/dbraw/zinc/95/23/26/1021952326.db2.gz JEMKIFXRMVVEMQ-MNOVXSKESA-N -1 1 329.450 3.672 20 0 EHADMM CSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000520256615 1022060024 /nfs/dbraw/zinc/06/00/24/1022060024.db2.gz PZTDWYOLYAPUFT-UHFFFAOYSA-N -1 1 333.478 3.839 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(COc2ccccc2)CC1 ZINC000280798266 1022128206 /nfs/dbraw/zinc/12/82/06/1022128206.db2.gz PBQLKAFLISKZMZ-UHFFFAOYSA-N -1 1 347.361 3.602 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)sc1Cl ZINC000473951106 1022379094 /nfs/dbraw/zinc/37/90/94/1022379094.db2.gz QZOJFRWYUZNMPI-QMMMGPOBSA-N -1 1 329.821 3.566 20 0 EHADMM O=S(=O)([N-]Cc1cccc(C(F)F)c1)c1sccc1Cl ZINC001211524025 1022538664 /nfs/dbraw/zinc/53/86/64/1022538664.db2.gz TYNQOHQSKHZPKS-UHFFFAOYSA-N -1 1 337.800 3.818 20 0 EHADMM CCc1nc(CNCc2cccc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000426667043 1022634264 /nfs/dbraw/zinc/63/42/64/1022634264.db2.gz WWENXDRBIFCZIF-UHFFFAOYSA-N -1 1 338.329 3.651 20 0 EHADMM CCSc1nccnc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000430788415 1022695260 /nfs/dbraw/zinc/69/52/60/1022695260.db2.gz LSSHJGIVSIDWEF-UHFFFAOYSA-N -1 1 340.408 3.804 20 0 EHADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668651 1022697750 /nfs/dbraw/zinc/69/77/50/1022697750.db2.gz UFWZUFBRORIQAY-MRVPVSSYSA-N -1 1 327.714 3.730 20 0 EHADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CC[C@H]1c1ccccc1 ZINC000518008319 1022918270 /nfs/dbraw/zinc/91/82/70/1022918270.db2.gz VRHXZJMHXJKVJZ-TZMCWYRMSA-N -1 1 331.362 3.936 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC)cc2Cl)c1 ZINC000426778970 1023038264 /nfs/dbraw/zinc/03/82/64/1023038264.db2.gz CHDYENULGUCLMA-KRWDZBQOSA-N -1 1 349.814 3.663 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(Cl)ccc2F)c1 ZINC000426776788 1023039556 /nfs/dbraw/zinc/03/95/56/1023039556.db2.gz ZYKPXPNTTSCJIE-MRXNPFEDSA-N -1 1 337.778 3.793 20 0 EHADMM CCCSC[C@H](NCc1cnc(-c2ccsc2)s1)C(=O)[O-] ZINC000426767156 1023044050 /nfs/dbraw/zinc/04/40/50/1023044050.db2.gz KTGOSOFCVUSIDG-LBPRGKRZSA-N -1 1 342.511 3.558 20 0 EHADMM Cc1cc([C@@H](NCc2cc(F)c(F)c(F)c2)C(=O)[O-])ccc1Cl ZINC000426807628 1023046010 /nfs/dbraw/zinc/04/60/10/1023046010.db2.gz IHQFQLPRNCFCTA-OAHLLOKOSA-N -1 1 343.732 3.981 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1ccc([O-])cc1F ZINC000190494446 1023196206 /nfs/dbraw/zinc/19/62/06/1023196206.db2.gz UUEXYAJBYLHMPS-UHFFFAOYSA-N -1 1 327.277 3.789 20 0 EHADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(Cl)cc1Cl ZINC000438990724 1023196359 /nfs/dbraw/zinc/19/63/59/1023196359.db2.gz KEEQZSUYSRYYAC-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM CCCc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)[nH]n1 ZINC000439008741 1023204543 /nfs/dbraw/zinc/20/45/43/1023204543.db2.gz PQCWFUDBLUJODX-UHFFFAOYSA-N -1 1 327.475 3.522 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000132855891 1023457446 /nfs/dbraw/zinc/45/74/46/1023457446.db2.gz SZFJVBMIEFJVNL-UHFFFAOYSA-N -1 1 334.213 3.735 20 0 EHADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1c(F)cc(F)cc1F ZINC000607441519 1033144015 /nfs/dbraw/zinc/14/40/15/1033144015.db2.gz MCLTZLABVVPHSM-UHFFFAOYSA-N -1 1 349.337 3.799 20 0 EHADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3o2)sc1C ZINC000342092838 1023891409 /nfs/dbraw/zinc/89/14/09/1023891409.db2.gz JQYDICLFKACZPY-JTQLQIEISA-N -1 1 336.438 3.546 20 0 EHADMM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000093969792 1024122255 /nfs/dbraw/zinc/12/22/55/1024122255.db2.gz NEXFVLKMXZPUNK-UHFFFAOYSA-N -1 1 330.359 3.687 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-][C@@H]([C@H](C)CC)C(F)(F)F)s1 ZINC000443943889 1024142261 /nfs/dbraw/zinc/14/22/61/1024142261.db2.gz SLLQQDWHOFPWNL-KCJUWKMLSA-N -1 1 329.409 3.566 20 0 EHADMM O=S(=O)([N-]Cc1ccc(-c2ccccc2)o1)c1cc(F)ccc1F ZINC000614629511 1024288164 /nfs/dbraw/zinc/28/81/64/1024288164.db2.gz ZNVTYAMTLPBCSY-UHFFFAOYSA-N -1 1 349.358 3.703 20 0 EHADMM O=C(CCC(=O)c1ccc(Cl)cn1)Nc1ccc([O-])c(Cl)c1 ZINC000346127896 1024428841 /nfs/dbraw/zinc/42/88/41/1024428841.db2.gz KLBCSWMHHJJCMM-UHFFFAOYSA-N -1 1 339.178 3.696 20 0 EHADMM C[C@H](N=c1ccc(N(Cc2ccccn2)C2CC2)n[n-]1)c1ccccc1 ZINC000425197143 1024433033 /nfs/dbraw/zinc/43/30/33/1024433033.db2.gz AVCAAMUMUNXGKA-INIZCTEOSA-N -1 1 345.450 3.636 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000011639389 1024491869 /nfs/dbraw/zinc/49/18/69/1024491869.db2.gz CHCHOLQJZQRDDA-CYBMUJFWSA-N -1 1 346.224 3.784 20 0 EHADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1coc(C2CCCCC2)n1 ZINC000548587569 1024567367 /nfs/dbraw/zinc/56/73/67/1024567367.db2.gz VXGDJGDMTCTFHW-UHFFFAOYSA-N -1 1 346.334 3.845 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H](C)c1ccccc1 ZINC000474199177 1024568816 /nfs/dbraw/zinc/56/88/16/1024568816.db2.gz PMUWPJASAJDNMZ-MNOVXSKESA-N -1 1 343.370 3.574 20 0 EHADMM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1c(F)ccc([O-])c1F ZINC000281275277 1024835340 /nfs/dbraw/zinc/83/53/40/1024835340.db2.gz PXKGCCPNKIRHDE-GFCCVEGCSA-N -1 1 347.361 3.529 20 0 EHADMM CC1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCC1 ZINC000435432854 1024903025 /nfs/dbraw/zinc/90/30/25/1024903025.db2.gz LCDXWNQEBWCTRN-UHFFFAOYSA-N -1 1 326.220 3.601 20 0 EHADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1 ZINC000474417991 1024924801 /nfs/dbraw/zinc/92/48/01/1024924801.db2.gz VPPWVROKPSLOFE-UHFFFAOYSA-N -1 1 333.457 3.677 20 0 EHADMM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1cncc([O-])c1 ZINC000346605190 1024945211 /nfs/dbraw/zinc/94/52/11/1024945211.db2.gz QQJSOZHNOZJRHE-FQEVSTJZSA-N -1 1 332.403 3.891 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000582040812 1025078944 /nfs/dbraw/zinc/07/89/44/1025078944.db2.gz CDTVZACVLMINPB-LSDHHAIUSA-N -1 1 347.823 3.921 20 0 EHADMM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000346743383 1025079944 /nfs/dbraw/zinc/07/99/44/1025079944.db2.gz IHYPNWJUVJPXPW-ZDUSSCGKSA-N -1 1 331.441 3.535 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(F)c2)cc1 ZINC000071977999 1025098566 /nfs/dbraw/zinc/09/85/66/1025098566.db2.gz MVKXWGJUFWURRQ-UHFFFAOYSA-N -1 1 337.416 3.978 20 0 EHADMM O=C(NCC[C@@H]1CCC(F)(F)C1)NCc1ccc([O-])c(Cl)c1 ZINC000896314347 1025345615 /nfs/dbraw/zinc/34/56/15/1025345615.db2.gz ILXWIKDMGNXBRE-JTQLQIEISA-N -1 1 332.778 3.670 20 0 EHADMM O=C(c1nc[n-]c1-c1nc(-c2ccc(Cl)o2)no1)c1ccccc1 ZINC000347109159 1025513309 /nfs/dbraw/zinc/51/33/09/1025513309.db2.gz HXPVFAGOHOJBTJ-UHFFFAOYSA-N -1 1 340.726 3.604 20 0 EHADMM COc1cc(C(=O)Nc2cccc(OC(F)F)c2)cc(Cl)c1[O-] ZINC000442880689 1025559179 /nfs/dbraw/zinc/55/91/79/1025559179.db2.gz XTRVNEOAJXYZDO-UHFFFAOYSA-N -1 1 343.713 3.908 20 0 EHADMM COc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000442952043 1025604603 /nfs/dbraw/zinc/60/46/03/1025604603.db2.gz QLERLXAIFUOLLN-SNVBAGLBSA-N -1 1 337.778 3.727 20 0 EHADMM COc1cc(C(=O)NCCc2ccc3[nH]ccc3c2)cc(Cl)c1[O-] ZINC000442998772 1025640309 /nfs/dbraw/zinc/64/03/09/1025640309.db2.gz KJEYQKBSEMCAOC-UHFFFAOYSA-N -1 1 344.798 3.508 20 0 EHADMM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000436487613 1025790010 /nfs/dbraw/zinc/79/00/10/1025790010.db2.gz KAZPUJXDBJNRLT-UHFFFAOYSA-N -1 1 349.789 3.620 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2SC(C)C)c1 ZINC000436504878 1025794411 /nfs/dbraw/zinc/79/44/11/1025794411.db2.gz KYCIEBHUOCZYMJ-UHFFFAOYSA-N -1 1 345.420 3.932 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2)c1 ZINC000436507584 1025799099 /nfs/dbraw/zinc/79/90/99/1025799099.db2.gz WYOSPWMYJKJULM-NSHDSACASA-N -1 1 347.798 3.650 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000436508537 1025802176 /nfs/dbraw/zinc/80/21/76/1025802176.db2.gz PVFOXPJDCQHKTK-UHFFFAOYSA-N -1 1 340.162 3.738 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000436519970 1025818712 /nfs/dbraw/zinc/81/87/12/1025818712.db2.gz SLTNFIBPTAYPHD-UHFFFAOYSA-N -1 1 345.351 3.785 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000436527325 1025831820 /nfs/dbraw/zinc/83/18/20/1025831820.db2.gz HYQSYHMRFGHBNC-ZDUSSCGKSA-N -1 1 333.790 3.890 20 0 EHADMM Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436545233 1025848130 /nfs/dbraw/zinc/84/81/30/1025848130.db2.gz RMQXJIJALORIDZ-INIZCTEOSA-N -1 1 331.412 3.770 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCSC[C@@H]1c1ccccc1 ZINC000436551022 1025858402 /nfs/dbraw/zinc/85/84/02/1025858402.db2.gz WBBBKDZWTROQER-OAHLLOKOSA-N -1 1 333.840 3.976 20 0 EHADMM CO[C@H](CNC(=O)c1cc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC000436562868 1025890580 /nfs/dbraw/zinc/89/05/80/1025890580.db2.gz KWYBIKCVNJRSIL-OAHLLOKOSA-N -1 1 340.206 3.817 20 0 EHADMM COCCSc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436568375 1025900230 /nfs/dbraw/zinc/90/02/30/1025900230.db2.gz SONUALGYXHZGBO-GFCCVEGCSA-N -1 1 349.427 3.761 20 0 EHADMM O=C(NCc1csc(-c2ccco2)n1)c1ccc(Cl)cc1[O-] ZINC000436593679 1025910402 /nfs/dbraw/zinc/91/04/02/1025910402.db2.gz CENRPENLUUEEER-UHFFFAOYSA-N -1 1 334.784 3.692 20 0 EHADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1nc(C2CCCCC2)no1 ZINC000436578844 1025918997 /nfs/dbraw/zinc/91/89/97/1025918997.db2.gz XYTSDWFPEQIPLB-SNVBAGLBSA-N -1 1 349.818 3.967 20 0 EHADMM CCSCC[C@H](C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436579094 1025922636 /nfs/dbraw/zinc/92/26/36/1025922636.db2.gz WXMLOYPVNHGXSF-JTQLQIEISA-N -1 1 346.290 3.758 20 0 EHADMM O=C(NCC1(CCO)CCCCC1)c1ccc2ccccc2c1[O-] ZINC000436585147 1025923548 /nfs/dbraw/zinc/92/35/48/1025923548.db2.gz ITOAHUFLMVIEHH-UHFFFAOYSA-N -1 1 327.424 3.608 20 0 EHADMM C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436601663 1025933259 /nfs/dbraw/zinc/93/32/59/1025933259.db2.gz CPYMWMGGASKTFP-LBPRGKRZSA-N -1 1 339.416 3.998 20 0 EHADMM COc1c(C)cc(CN(C)C(=O)c2cc(Cl)ccc2[O-])cc1C ZINC000436633736 1025961627 /nfs/dbraw/zinc/96/16/27/1025961627.db2.gz HUZRDYHAJNOXRY-UHFFFAOYSA-N -1 1 333.815 3.943 20 0 EHADMM O=C(NC[C@@H]1CCOc2ccccc21)c1cc2ccccc2cc1[O-] ZINC000436639911 1025970151 /nfs/dbraw/zinc/97/01/51/1025970151.db2.gz GCMMRJPAGUNLON-INIZCTEOSA-N -1 1 333.387 3.842 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)c1 ZINC000443410059 1025990980 /nfs/dbraw/zinc/99/09/80/1025990980.db2.gz ZIWGJJNKKAHXFD-UHFFFAOYSA-N -1 1 348.449 3.804 20 0 EHADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(O)c3)c2)n1 ZINC000443404238 1026000537 /nfs/dbraw/zinc/00/05/37/1026000537.db2.gz FELNFRGYMJYNJC-UHFFFAOYSA-N -1 1 346.433 3.625 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCn2c(cc3ccccc32)C1 ZINC000436657416 1026018007 /nfs/dbraw/zinc/01/80/07/1026018007.db2.gz VOBBJRGZIQVMRJ-UHFFFAOYSA-N -1 1 326.783 3.656 20 0 EHADMM CCC(=O)c1ccc(O)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436658453 1026021461 /nfs/dbraw/zinc/02/14/61/1026021461.db2.gz NUZBTGHJLSLQBW-UHFFFAOYSA-N -1 1 337.734 3.735 20 0 EHADMM [O-]c1ccc(-c2nc(-c3ccc(OC4CCCC4)nc3)no2)c(F)c1 ZINC000436686865 1026038428 /nfs/dbraw/zinc/03/84/28/1026038428.db2.gz GQORJYPTWLWQMT-UHFFFAOYSA-N -1 1 341.342 3.965 20 0 EHADMM O=C(NCC1(c2cccs2)CCCCC1)C(=O)c1ccc([O-])cc1 ZINC000436694296 1026053255 /nfs/dbraw/zinc/05/32/55/1026053255.db2.gz AHRXQDJHALDZET-UHFFFAOYSA-N -1 1 343.448 3.655 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@](F)(c2ccccc2F)C1 ZINC000436703076 1026064077 /nfs/dbraw/zinc/06/40/77/1026064077.db2.gz KSLDKQOTESMJKX-QGZVFWFLSA-N -1 1 337.753 3.896 20 0 EHADMM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccc(O)cc1[O-] ZINC000436705817 1026068862 /nfs/dbraw/zinc/06/88/62/1026068862.db2.gz LCCZWGMDLLSCKO-UHFFFAOYSA-N -1 1 326.377 3.837 20 0 EHADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc([O-])cc1F)[C@H]2C ZINC000436714952 1026081918 /nfs/dbraw/zinc/08/19/18/1026081918.db2.gz NRLKODAQOKYVQK-NEPJUHHUSA-N -1 1 329.371 3.688 20 0 EHADMM Cc1nc2ccccc2n1CCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000436723841 1026099179 /nfs/dbraw/zinc/09/91/79/1026099179.db2.gz WHIIFVLHKFQXBP-UHFFFAOYSA-N -1 1 343.814 3.524 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436742653 1026111613 /nfs/dbraw/zinc/11/16/13/1026111613.db2.gz XZJKTWWBFFURSS-KRWDZBQOSA-N -1 1 339.288 3.520 20 0 EHADMM COc1ccc(C(=O)Nc2cc3sc(C)nc3cc2OC)c([O-])c1 ZINC000436729367 1026119121 /nfs/dbraw/zinc/11/91/21/1026119121.db2.gz AWGNMVQOAVIOEI-UHFFFAOYSA-N -1 1 344.392 3.580 20 0 EHADMM COc1ccc(Cl)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436728575 1026120304 /nfs/dbraw/zinc/12/03/04/1026120304.db2.gz BIAUUDRGGKKFSS-UHFFFAOYSA-N -1 1 342.178 3.969 20 0 EHADMM CCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1cccc(C)c1 ZINC000192153317 1026125898 /nfs/dbraw/zinc/12/58/98/1026125898.db2.gz BRRVEJHCCCWSTH-UHFFFAOYSA-N -1 1 339.370 3.840 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3C)ccc2s1 ZINC000034380153 1026133369 /nfs/dbraw/zinc/13/33/69/1026133369.db2.gz SVQGKWNVBLDCQN-UHFFFAOYSA-N -1 1 336.413 3.853 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CC(COc2ccccc2)C1 ZINC000436749015 1026137172 /nfs/dbraw/zinc/13/71/72/1026137172.db2.gz RAWQDPHSSKDIBR-UHFFFAOYSA-N -1 1 333.387 3.696 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccccc2C(C)C)c1 ZINC000436773761 1026150002 /nfs/dbraw/zinc/15/00/02/1026150002.db2.gz KQWVBTBZZWEWBD-UHFFFAOYSA-N -1 1 326.396 3.751 20 0 EHADMM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cc2ccccc2o1 ZINC000530771131 1026280794 /nfs/dbraw/zinc/28/07/94/1026280794.db2.gz KZSLTTPMTYXELA-ZDUSSCGKSA-N -1 1 331.418 3.558 20 0 EHADMM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000530771951 1026283741 /nfs/dbraw/zinc/28/37/41/1026283741.db2.gz PXSGHWKPNJBMAX-AWEZNQCLSA-N -1 1 329.421 3.823 20 0 EHADMM Cc1cc(C)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)s1 ZINC000582523579 1026495209 /nfs/dbraw/zinc/49/52/09/1026495209.db2.gz DWEITOPPGFPWLC-GFCCVEGCSA-N -1 1 349.399 3.947 20 0 EHADMM CCO[C@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1=CCCC1 ZINC000342679569 1026687597 /nfs/dbraw/zinc/68/75/97/1026687597.db2.gz WFUBZAGTYPCLLY-QGZVFWFLSA-N -1 1 341.411 3.626 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccccc1)C1CC1)c1cc2ccccc2o1 ZINC000531247391 1026723992 /nfs/dbraw/zinc/72/39/92/1026723992.db2.gz MQXMYNVEOHMEPY-SFHVURJKSA-N -1 1 327.405 3.862 20 0 EHADMM O=c1[n-]c(Oc2ccc(F)cc2F)nc2c1cnn2-c1ccccc1 ZINC000301336629 1026766261 /nfs/dbraw/zinc/76/62/61/1026766261.db2.gz GNPXFLMGYKPJAG-UHFFFAOYSA-N -1 1 340.289 3.592 20 0 EHADMM O=c1[n-]c(Sc2cccs2)nc2c1cnn2-c1ccccc1 ZINC000301340111 1026768891 /nfs/dbraw/zinc/76/88/91/1026768891.db2.gz FFOOJDQSKFMTDW-UHFFFAOYSA-N -1 1 326.406 3.734 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000665652646 1026789670 /nfs/dbraw/zinc/78/96/70/1026789670.db2.gz IGTLFYNUWSMNDW-INIZCTEOSA-N -1 1 325.383 3.941 20 0 EHADMM CCN(Cc1cccs1)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301500930 1026830630 /nfs/dbraw/zinc/83/06/30/1026830630.db2.gz DUZKVMJGTUWOFI-UHFFFAOYSA-N -1 1 340.452 3.949 20 0 EHADMM CC[C@H]1CCCC[C@@H]1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000452833368 1027051442 /nfs/dbraw/zinc/05/14/42/1027051442.db2.gz VYODGCUHVNRRLN-UONOGXRCSA-N -1 1 333.476 3.734 20 0 EHADMM Cc1nc(-c2ccc(N3C[C@H](C)[C@@H]4CCCC[C@@H]43)nc2)[n-]c(=O)c1C ZINC000302160428 1027075029 /nfs/dbraw/zinc/07/50/29/1027075029.db2.gz JQTCQQPKYCQONA-ZLIFDBKOSA-N -1 1 338.455 3.876 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ncccc23)c1 ZINC000614739380 1027317561 /nfs/dbraw/zinc/31/75/61/1027317561.db2.gz RXQGSAYRMLAPJM-UHFFFAOYSA-N -1 1 342.420 3.607 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1C ZINC000780394505 1027369216 /nfs/dbraw/zinc/36/92/16/1027369216.db2.gz FZMDVCQOZQWBPV-UHFFFAOYSA-N -1 1 339.363 3.936 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000128096050 1027395400 /nfs/dbraw/zinc/39/54/00/1027395400.db2.gz IOITWFIMTSKZQW-UHFFFAOYSA-N -1 1 345.284 3.710 20 0 EHADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000414450605 1027467423 /nfs/dbraw/zinc/46/74/23/1027467423.db2.gz GSYURAGBQXJZSW-UHFFFAOYSA-N -1 1 334.441 3.534 20 0 EHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cnc(N2CCCC2)nc1 ZINC001211934260 1027555255 /nfs/dbraw/zinc/55/52/55/1027555255.db2.gz YHYHDMDQRJKFOI-UHFFFAOYSA-N -1 1 325.199 3.833 20 0 EHADMM O=C([O-])C1CN(Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000414651775 1027704800 /nfs/dbraw/zinc/70/48/00/1027704800.db2.gz GFSQBJUONMFZQJ-UHFFFAOYSA-N -1 1 326.179 3.770 20 0 EHADMM O=C(N[C@@H]1CCc2ccccc21)c1ccc(Br)c([O-])c1 ZINC000132957750 1027984645 /nfs/dbraw/zinc/98/46/45/1027984645.db2.gz DRPUXZSQWHDKDI-CQSZACIVSA-N -1 1 332.197 3.572 20 0 EHADMM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)n(-c2ccncc2)n1 ZINC001211962388 1028213020 /nfs/dbraw/zinc/21/30/20/1028213020.db2.gz BGDDUQFXQRJGTI-UHFFFAOYSA-N -1 1 328.759 3.671 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCn2c3ccccc3nc21 ZINC000193799549 1028464781 /nfs/dbraw/zinc/46/47/81/1028464781.db2.gz WHGIYYHAVGWLND-UHFFFAOYSA-N -1 1 329.359 3.556 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1 ZINC000194034610 1028485357 /nfs/dbraw/zinc/48/53/57/1028485357.db2.gz UBBLZYCQRYDXPJ-UHFFFAOYSA-N -1 1 347.436 3.615 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)cc(Cl)c1[O-] ZINC000153653731 1028505373 /nfs/dbraw/zinc/50/53/73/1028505373.db2.gz OXEQKUOCHYKJKB-CQSZACIVSA-N -1 1 335.762 3.611 20 0 EHADMM CN(C)Cc1cc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)ccc1F ZINC000445228832 1028620944 /nfs/dbraw/zinc/62/09/44/1028620944.db2.gz NXPMIROSGVSTPQ-UHFFFAOYSA-N -1 1 347.777 3.963 20 0 EHADMM COc1cc(-c2noc(CC3CCC3)n2)cc(Br)c1[O-] ZINC000445388393 1028745993 /nfs/dbraw/zinc/74/59/93/1028745993.db2.gz AXGPWMYAOMWEHL-UHFFFAOYSA-N -1 1 339.189 3.556 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2nc(-c3cccs3)no2)n1 ZINC000026015844 1028748048 /nfs/dbraw/zinc/74/80/48/1028748048.db2.gz GIXQQGPLRRHEEO-VIFPVBQESA-N -1 1 348.453 3.687 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3ccccc3Br)n2)c(F)c1 ZINC000445463101 1028809751 /nfs/dbraw/zinc/80/97/51/1028809751.db2.gz NKFUISVZAZFMRI-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1csc2ccccc21 ZINC000504696392 1028824323 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CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153955168 1028964116 /nfs/dbraw/zinc/96/41/16/1028964116.db2.gz TYEOKECTCSRQBQ-GXTWGEPZSA-N -1 1 343.876 3.848 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1 ZINC000123640225 1028980001 /nfs/dbraw/zinc/98/00/01/1028980001.db2.gz YSKBLJUTQRXIQJ-UHFFFAOYSA-N -1 1 342.395 3.740 20 0 EHADMM CCC[C@@]1(C)CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078690728 1029427274 /nfs/dbraw/zinc/42/72/74/1029427274.db2.gz RNYKTQXOOLYMJF-FQEVSTJZSA-N -1 1 340.471 3.855 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000080053721 1029580985 /nfs/dbraw/zinc/58/09/85/1029580985.db2.gz ULZIVBGEWSOBKS-UHFFFAOYSA-N -1 1 345.342 3.653 20 0 EHADMM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079411274 1029640344 /nfs/dbraw/zinc/64/03/44/1029640344.db2.gz MKLTYDHDJZEPQP-NSHDSACASA-N -1 1 341.798 3.822 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(F)c(Cl)cc1F ZINC000343229887 1029826602 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ZINC000512474307 1039355487 /nfs/dbraw/zinc/35/54/87/1039355487.db2.gz JBVHKEOCGJEEEX-KRWDZBQOSA-N -1 1 331.843 3.879 20 0 EHADMM CCC[N@H+](Cc1c(Cl)cccc1C(=O)[O-])C[C@@H]1CCCCO1 ZINC000584724605 1039637529 /nfs/dbraw/zinc/63/75/29/1039637529.db2.gz GECWNVDBULDEDW-ZDUSSCGKSA-N -1 1 325.836 3.819 20 0 EHADMM Cc1nc(-c2ccc(N3CC[C@@H](C(C)(C)C)C3)nc2)[n-]c(=O)c1C ZINC000554739322 1039656419 /nfs/dbraw/zinc/65/64/19/1039656419.db2.gz RMJKZQHRUDXLBT-OAHLLOKOSA-N -1 1 326.444 3.733 20 0 EHADMM Cc1cccc(CO[N-]C(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000898929872 1039714412 /nfs/dbraw/zinc/71/44/12/1039714412.db2.gz CTLCTQZGHZFLSX-GFCCVEGCSA-N -1 1 338.329 3.760 20 0 EHADMM Cc1ccccc1-c1cccc(/C=C\c2cc(=O)n3[n-]cnc3n2)c1 ZINC000486121674 1039905646 /nfs/dbraw/zinc/90/56/46/1039905646.db2.gz JKRFTNNCOVTBAG-KTKRTIGZSA-N -1 1 328.375 3.563 20 0 EHADMM O=c1cc(/C=C/c2ccc(Sc3ccccc3)cc2)nc2nc[n-]n21 ZINC000486127355 1039909821 /nfs/dbraw/zinc/90/98/21/1039909821.db2.gz QQJMDTBRFVFKMS-RMKNXTFCSA-N -1 1 346.415 3.739 20 0 EHADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000479106981 1039975500 /nfs/dbraw/zinc/97/55/00/1039975500.db2.gz KDFZJZOOBGXRQZ-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c1 ZINC000479138988 1039980286 /nfs/dbraw/zinc/98/02/86/1039980286.db2.gz INUFVFXXIGJLDK-LBPRGKRZSA-N -1 1 341.782 3.658 20 0 EHADMM COc1cccc(Cl)c1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417632432 1040094867 /nfs/dbraw/zinc/09/48/67/1040094867.db2.gz SSXAMHNQBLEMKE-CJNGLKHVSA-N -1 1 331.799 3.751 20 0 EHADMM CC(C)Oc1cccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000417650200 1040115031 /nfs/dbraw/zinc/11/50/31/1040115031.db2.gz ULLBIYFULDGWGS-UHFFFAOYSA-N -1 1 335.350 3.740 20 0 EHADMM O=C(Cc1ccccc1)Nc1c([O-])cc(Br)cc1Cl ZINC000584866192 1040153214 /nfs/dbraw/zinc/15/32/14/1040153214.db2.gz OLVVFNPTCYAKDX-UHFFFAOYSA-N -1 1 340.604 3.989 20 0 EHADMM Cc1ccc(OC(F)F)c(CNCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000417674496 1040153705 /nfs/dbraw/zinc/15/37/05/1040153705.db2.gz ZMRLGCBUEVPLOY-UHFFFAOYSA-N -1 1 335.350 3.893 20 0 EHADMM O=S(=O)([N-]CCC1CCC(F)(F)CC1)c1ccc(C(F)F)o1 ZINC000908080825 1040289884 /nfs/dbraw/zinc/28/98/84/1040289884.db2.gz VFLDSUYFLLSLLU-UHFFFAOYSA-N -1 1 343.342 3.711 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000479549121 1040360201 /nfs/dbraw/zinc/36/02/01/1040360201.db2.gz WCWPELFPCBZOEV-UHFFFAOYSA-N -1 1 337.416 3.834 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1F ZINC000479554592 1040372440 /nfs/dbraw/zinc/37/24/40/1040372440.db2.gz RZQYRFHIOJZBFB-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908708089 1040602697 /nfs/dbraw/zinc/60/26/97/1040602697.db2.gz OYYLIKPCOOGXGE-WDEREUQCSA-N -1 1 342.233 3.689 20 0 EHADMM [O-]c1cccc(CNc2cc(Br)ccc2CO)c1Cl ZINC000645178126 1040989987 /nfs/dbraw/zinc/98/99/87/1040989987.db2.gz PSERIQHVFFZXAE-UHFFFAOYSA-N -1 1 342.620 3.913 20 0 EHADMM Cc1nnc([C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[O-])s1 ZINC000909861442 1041050602 /nfs/dbraw/zinc/05/06/02/1041050602.db2.gz YKHGGZGJLVACEF-YFKPBYRVSA-N -1 1 333.196 3.777 20 0 EHADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)[C@H]1OCCc2sccc21 ZINC000909987473 1041099926 /nfs/dbraw/zinc/09/99/26/1041099926.db2.gz VXJLJHHEJJFEOV-VXJOIVPMSA-N -1 1 339.363 3.621 20 0 EHADMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)s1 ZINC000053689048 1041270247 /nfs/dbraw/zinc/27/02/47/1041270247.db2.gz RBMMVDRCSBDUSE-MRVPVSSYSA-N -1 1 335.372 3.513 20 0 EHADMM C[C@H]1CCCN(Cc2cc(Cl)ccc2Br)[C@@H]1C(=O)[O-] ZINC000311402450 1041397998 /nfs/dbraw/zinc/39/79/98/1041397998.db2.gz ADOYQRKVNAGNKO-ZANVPECISA-N -1 1 346.652 3.788 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)s1 ZINC000432080725 1041563329 /nfs/dbraw/zinc/56/33/29/1041563329.db2.gz PIPRKAAQMBKVJX-UHFFFAOYSA-N -1 1 341.841 3.640 20 0 EHADMM CCNC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000045809360 1042141169 /nfs/dbraw/zinc/14/11/69/1042141169.db2.gz XCZWQQOVSYRRIC-UHFFFAOYSA-N -1 1 334.375 3.547 20 0 EHADMM Cc1cnc([C@H](C)CNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000184775962 1042618361 /nfs/dbraw/zinc/61/83/61/1042618361.db2.gz BOQLMCZCGOABPS-LLVKDONJSA-N -1 1 326.421 3.844 20 0 EHADMM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC001211691237 1042644605 /nfs/dbraw/zinc/64/46/05/1042644605.db2.gz BGNWCJYOYKEPAD-UHFFFAOYSA-N -1 1 341.885 3.800 20 0 EHADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668570 1042994539 /nfs/dbraw/zinc/99/45/39/1042994539.db2.gz RBJZHVKMHRNCQV-UHFFFAOYSA-N -1 1 344.802 3.932 20 0 EHADMM O=C(NC(C1CCC1)C1CCC1)c1ccc(Br)c([O-])c1 ZINC000325392726 1043353461 /nfs/dbraw/zinc/35/34/61/1043353461.db2.gz IHBLGZGOOKZSOF-UHFFFAOYSA-N -1 1 338.245 3.853 20 0 EHADMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000067006397 1043773382 /nfs/dbraw/zinc/77/33/82/1043773382.db2.gz MOYGWFVCOJHCAM-LZCJLJQNSA-N -1 1 327.767 3.826 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1Cl ZINC000432644212 1044575085 /nfs/dbraw/zinc/57/50/85/1044575085.db2.gz LRXPXLGMJNKGAM-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM COC(=O)c1c[n-]c(SCCc2cc(Cl)cc(Cl)c2)n1 ZINC000432661045 1044634036 /nfs/dbraw/zinc/63/40/36/1044634036.db2.gz VQTYCHWXFDSALZ-UHFFFAOYSA-N -1 1 331.224 3.838 20 0 EHADMM COc1c(Br)cc(F)cc1[N-]c1nonc1C1CC1 ZINC001211710432 1044642128 /nfs/dbraw/zinc/64/21/28/1044642128.db2.gz OLNWADDKEGIWTL-UHFFFAOYSA-N -1 1 328.141 3.601 20 0 EHADMM O=C(NCCc1ccc(OC(F)F)cc1)c1cc(Cl)ccc1[O-] ZINC000620665925 1125624526 /nfs/dbraw/zinc/62/45/26/1125624526.db2.gz ZMVDUQMQQSUMLK-UHFFFAOYSA-N -1 1 341.741 3.620 20 0 EHADMM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000779486901 1126109475 /nfs/dbraw/zinc/10/94/75/1126109475.db2.gz WPVOXRCBMKPZAC-GOSISDBHSA-N -1 1 339.366 3.871 20 0 EHADMM COc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc(OC)c1[O-] ZINC000072543334 1126753876 /nfs/dbraw/zinc/75/38/76/1126753876.db2.gz RQVAMQNJRYELRQ-AUWJEWJLSA-N -1 1 349.342 3.945 20 0 EHADMM CN(C(=O)c1csc(=NC2CC2)[n-]1)C1CC(C)(C)CC(C)(C)C1 ZINC000622749497 1126757640 /nfs/dbraw/zinc/75/76/40/1126757640.db2.gz DHUVUKTZRQSYEF-UHFFFAOYSA-N -1 1 335.517 3.816 20 0 EHADMM CC[C@@H](c1ccc(F)cc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000194985517 1127471258 /nfs/dbraw/zinc/47/12/58/1127471258.db2.gz XOQLDYOQCKSXJC-AWEZNQCLSA-N -1 1 331.416 3.707 20 0 EHADMM CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])[C@H]2CCC[C@@H]21 ZINC000381111788 1127475929 /nfs/dbraw/zinc/47/59/29/1127475929.db2.gz JCUMFJXFQPOLER-STQMWFEESA-N -1 1 338.245 3.805 20 0 EHADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NC1CCCCCC1 ZINC000017298023 1127667303 /nfs/dbraw/zinc/66/73/03/1127667303.db2.gz VJYDDYSCRLDPPN-UHFFFAOYSA-N -1 1 336.486 3.508 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2noc(-c3cccs3)n2)n1 ZINC000030022486 1127813738 /nfs/dbraw/zinc/81/37/38/1127813738.db2.gz HZWBUZOHSVTESK-UHFFFAOYSA-N -1 1 334.426 3.539 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000032586487 1127853979 /nfs/dbraw/zinc/85/39/79/1127853979.db2.gz WGESVCOKRFMAAU-UHFFFAOYSA-N -1 1 325.817 3.712 20 0 EHADMM COC(=O)c1sccc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000041777347 1127878122 /nfs/dbraw/zinc/87/81/22/1127878122.db2.gz QKDHJYUOACDZKC-UHFFFAOYSA-N -1 1 346.339 3.581 20 0 EHADMM CC[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000069823201 1128292550 /nfs/dbraw/zinc/29/25/50/1128292550.db2.gz ZNWZWHBSTWDVBS-LLVKDONJSA-N -1 1 343.370 3.576 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000055598376 1128524609 /nfs/dbraw/zinc/52/46/09/1128524609.db2.gz UJAKDHKWTZQVFG-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc4nccc(Cl)c4c3)no2)n[n-]1 ZINC001212429765 1128586317 /nfs/dbraw/zinc/58/63/17/1128586317.db2.gz OOYMOUDGNXPEGS-UHFFFAOYSA-N -1 1 339.742 3.531 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc4nccc(Cl)c4c3)no2)[n-]n1 ZINC001212429765 1128586319 /nfs/dbraw/zinc/58/63/19/1128586319.db2.gz OOYMOUDGNXPEGS-UHFFFAOYSA-N -1 1 339.742 3.531 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)n[n-]1 ZINC001212431030 1128611725 /nfs/dbraw/zinc/61/17/25/1128611725.db2.gz CMENSFFFQCOMCD-UHFFFAOYSA-N -1 1 347.334 3.517 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)[n-]n1 ZINC001212431030 1128611728 /nfs/dbraw/zinc/61/17/28/1128611728.db2.gz CMENSFFFQCOMCD-UHFFFAOYSA-N -1 1 347.334 3.517 20 0 EHADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCS1 ZINC000921714533 1128661262 /nfs/dbraw/zinc/66/12/62/1128661262.db2.gz BGBGMXBKOPXEHD-RNFRBKRXSA-N -1 1 346.326 3.617 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000075789598 1128881153 /nfs/dbraw/zinc/88/11/53/1128881153.db2.gz ZQXZYWHBDWUYKZ-LBPRGKRZSA-N -1 1 335.372 3.638 20 0 EHADMM O=S(=O)([N-]C[C@H]1C[C@@H]1c1ccccc1)c1cc2ccccc2o1 ZINC000084938038 1120098688 /nfs/dbraw/zinc/09/86/88/1120098688.db2.gz ZODCSOGNBDIBFK-HZPDHXFCSA-N -1 1 327.405 3.515 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1ccc(Br)cc1C ZINC000170248593 1120195192 /nfs/dbraw/zinc/19/51/92/1120195192.db2.gz XJVQVBZYDSIRLD-UHFFFAOYSA-N -1 1 336.185 3.724 20 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FOXSCRVETXYFNE-UHFFFAOYSA-N -1 1 343.180 3.955 20 0 EHADMM O=C([N-]c1cccc(Cl)c1SCC(F)F)c1csnn1 ZINC000076649018 1128937895 /nfs/dbraw/zinc/93/78/95/1128937895.db2.gz HLENWHWUIZGFSP-UHFFFAOYSA-N -1 1 335.788 3.801 20 0 EHADMM [O-]c1ccc(-c2nc(Cc3ccc(Br)cc3)no2)c(F)c1 ZINC000230228699 1120999180 /nfs/dbraw/zinc/99/91/80/1120999180.db2.gz HAKJRZMUFMSECM-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)ccc1F ZINC000303281983 1121132981 /nfs/dbraw/zinc/13/29/81/1121132981.db2.gz MISLFUSRDWIBOG-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM O=C(Nc1cc(F)cc(F)c1F)c1cc(Br)ccc1[O-] ZINC000236612050 1121459076 /nfs/dbraw/zinc/45/90/76/1121459076.db2.gz NCAXNWPUQCOLIU-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000074842554 1121713195 /nfs/dbraw/zinc/71/31/95/1121713195.db2.gz QRXHFINQIOHHIH-UHFFFAOYSA-N -1 1 330.409 3.756 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OC(C)C)c2)[n-]c1=O ZINC000347450585 1121773626 /nfs/dbraw/zinc/77/36/26/1121773626.db2.gz SFEFFOZRGAISOA-LCYFTJDESA-N -1 1 342.395 3.707 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1C ZINC000055598516 1121844520 /nfs/dbraw/zinc/84/45/20/1121844520.db2.gz BKFNPOZLYHLJRQ-UHFFFAOYSA-N -1 1 327.352 3.706 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1 ZINC000055638126 1121848791 /nfs/dbraw/zinc/84/87/91/1121848791.db2.gz RUOPHNNYGGHYHE-UHFFFAOYSA-N -1 1 345.342 3.790 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000496673763 1122152168 /nfs/dbraw/zinc/15/21/68/1122152168.db2.gz YJDLEDOKVUPETN-LLVKDONJSA-N -1 1 337.753 3.954 20 0 EHADMM COc1ccc(F)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000124774170 1122294817 /nfs/dbraw/zinc/29/48/17/1122294817.db2.gz GTDZVSZXGFGKMT-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CC(C)(C)c1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)no1 ZINC000497977007 1122715827 /nfs/dbraw/zinc/71/58/27/1122715827.db2.gz PHLJNRNZYZNCDI-UHFFFAOYSA-N -1 1 334.426 3.804 20 0 EHADMM O=C([N-]c1nc(-c2ccccc2)ns1)c1noc2c1CCCCC2 ZINC000129476872 1122787234 /nfs/dbraw/zinc/78/72/34/1122787234.db2.gz DRSOEHQOJDJVHK-UHFFFAOYSA-N -1 1 340.408 3.714 20 0 EHADMM O=C([O-])[C@]1(NCc2ccc(F)cc2Cl)CCc2c1cccc2F ZINC000556323549 1122929206 /nfs/dbraw/zinc/92/92/06/1122929206.db2.gz WCTDCDYQFOLOEB-KRWDZBQOSA-N -1 1 337.753 3.634 20 0 EHADMM Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)c1C ZINC000072967409 1123180523 /nfs/dbraw/zinc/18/05/23/1123180523.db2.gz OMPHSCJIIHQVPX-UHFFFAOYSA-N -1 1 344.842 3.625 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(C(F)(F)F)cc1 ZINC000132912867 1123316928 /nfs/dbraw/zinc/31/69/28/1123316928.db2.gz ITGLIMKSDQRSIU-UHFFFAOYSA-N -1 1 343.326 3.536 20 0 EHADMM COc1cc(CNC(=O)c2c([O-])cccc2Cl)ccc1OC(C)C ZINC000920444872 1123369509 /nfs/dbraw/zinc/36/95/09/1123369509.db2.gz AMEWJCUZLKPMFG-UHFFFAOYSA-N -1 1 349.814 3.771 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC=C(c2ccc(O)cc2)CC1 ZINC000920431739 1123372571 /nfs/dbraw/zinc/37/25/71/1123372571.db2.gz PCQWHYAUIHFDQT-UHFFFAOYSA-N -1 1 329.783 3.681 20 0 EHADMM Cc1cc(Cl)c([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1Cl ZINC000133597862 1123406707 /nfs/dbraw/zinc/40/67/07/1123406707.db2.gz NGPALBIEYOJZLV-UHFFFAOYSA-N -1 1 348.255 3.880 20 0 EHADMM O=S(=O)([N-][C@H]1CCCC12CCCCC2)c1cc(F)c(F)cc1F ZINC001212488212 1129121952 /nfs/dbraw/zinc/12/19/52/1129121952.db2.gz WDFLKVSIMLQXLB-HNNXBMFYSA-N -1 1 347.402 3.885 20 0 EHADMM Cc1ccc2nc(-c3cccc(NC(=O)c4ccco4)c3)[n-]c(=O)c2c1 ZINC000077257379 1123541653 /nfs/dbraw/zinc/54/16/53/1123541653.db2.gz BBTBUAFLEFLQEA-UHFFFAOYSA-N -1 1 345.358 3.744 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3C)ccc2o1 ZINC000077702559 1123575095 /nfs/dbraw/zinc/57/50/95/1123575095.db2.gz PBHYGLNHQIAXAA-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM Cc1noc(C2CC2)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000135594460 1123630376 /nfs/dbraw/zinc/63/03/76/1123630376.db2.gz XFBODHZICKOSAT-UHFFFAOYSA-N -1 1 326.274 3.837 20 0 EHADMM COc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000064479136 1123637558 /nfs/dbraw/zinc/63/75/58/1123637558.db2.gz BKBAIDNELHCDOM-CMDGGOBGSA-N -1 1 348.811 3.633 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3C[C@@]3(C)c3ccccc3)nc2)[n-]c(=O)c1C ZINC000078374270 1129137321 /nfs/dbraw/zinc/13/73/21/1129137321.db2.gz DGKWKYUXZGMANZ-UTKZUKDTSA-N -1 1 346.434 3.591 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000615252566 1123767524 /nfs/dbraw/zinc/76/75/24/1123767524.db2.gz ZTZIUKYWNYSNBP-CQSZACIVSA-N -1 1 347.333 3.716 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc2c(c1)OCO2 ZINC000248230522 1124646135 /nfs/dbraw/zinc/64/61/35/1124646135.db2.gz BJOZHNXTUIZEMF-LBPRGKRZSA-N -1 1 335.359 3.765 20 0 EHADMM CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1ccc([O-])cc1F ZINC000618790643 1125201513 /nfs/dbraw/zinc/20/15/13/1125201513.db2.gz GYYFJZXAJFYEDS-KRWDZBQOSA-N -1 1 347.361 3.663 20 0 EHADMM C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000619930103 1125430316 /nfs/dbraw/zinc/43/03/16/1125430316.db2.gz MJWXWWIHCHYNDE-CQSZACIVSA-N -1 1 325.408 3.719 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000078982589 1129219196 /nfs/dbraw/zinc/21/91/96/1129219196.db2.gz PFCPRWSSGHRGRE-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM CC[C@H](C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OC)C(F)(F)F ZINC001128427855 1129228644 /nfs/dbraw/zinc/22/86/44/1129228644.db2.gz VEENQUUURVOFLA-JOYOIKCWSA-N -1 1 339.304 3.880 20 0 EHADMM CC(C)CCO[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000081604416 1129432169 /nfs/dbraw/zinc/43/21/69/1129432169.db2.gz VDXBWJJJZFSLBB-MRXNPFEDSA-N -1 1 327.424 3.823 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000509103503 1129751890 /nfs/dbraw/zinc/75/18/90/1129751890.db2.gz PESRBODMQQPOJX-UHFFFAOYSA-N -1 1 345.392 3.811 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c(C)c1 ZINC000673983292 1129933644 /nfs/dbraw/zinc/93/36/44/1129933644.db2.gz STAWLYROWOROFG-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2sc3cc(F)ccc3c2C)n1 ZINC001128946463 1130260126 /nfs/dbraw/zinc/26/01/26/1130260126.db2.gz QBWPQDJLMSIAHM-UHFFFAOYSA-N -1 1 347.371 3.501 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCO2 ZINC000041231893 1130327281 /nfs/dbraw/zinc/32/72/81/1130327281.db2.gz VFDZNAZJDNRDMK-UHFFFAOYSA-N -1 1 344.219 3.729 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccccc2COC)c1CC ZINC000486066060 1130437724 /nfs/dbraw/zinc/43/77/24/1130437724.db2.gz FNUVOFJNYOKBSC-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c1Cl ZINC000675637139 1130442555 /nfs/dbraw/zinc/44/25/55/1130442555.db2.gz IRRHIRQFLNGVHK-QMMMGPOBSA-N -1 1 344.210 3.768 20 0 EHADMM Cc1cn2nc([N-]c3cnn(-c4ccccc4Cl)c3)sc2n1 ZINC000730107957 1130673606 /nfs/dbraw/zinc/67/36/06/1130673606.db2.gz ZUAQPJCWMVHHQQ-UHFFFAOYSA-N -1 1 330.804 3.682 20 0 EHADMM CC(C)N(C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000730358992 1130703450 /nfs/dbraw/zinc/70/34/50/1130703450.db2.gz GXZXQVFVIZOZEH-UHFFFAOYSA-N -1 1 348.226 3.501 20 0 EHADMM CCCN(CCC)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730359677 1130703584 /nfs/dbraw/zinc/70/35/84/1130703584.db2.gz LOWZOWCEAYVRHG-UHFFFAOYSA-N -1 1 348.226 3.504 20 0 EHADMM CC(=O)Nc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1Cl ZINC000348071542 1131139168 /nfs/dbraw/zinc/13/91/68/1131139168.db2.gz HJENGAZXSOAKFW-UHFFFAOYSA-N -1 1 340.713 3.535 20 0 EHADMM O=C(Nc1ncc(C2CCCCC2)s1)c1cnc(C2CC2)[n-]c1=O ZINC000828197783 1131426475 /nfs/dbraw/zinc/42/64/75/1131426475.db2.gz MLEQYAJGRNWLPR-UHFFFAOYSA-N -1 1 344.440 3.816 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2CC2(C)C)c([O-])c1 ZINC000740927005 1131559086 /nfs/dbraw/zinc/55/90/86/1131559086.db2.gz XIXJMUPETQGKAD-NSHDSACASA-N -1 1 334.416 3.515 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)cc1 ZINC000096171032 1131755479 /nfs/dbraw/zinc/75/54/79/1131755479.db2.gz SBNQHRMICOEATN-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3cccc4cnccc43)no2)[n-]1 ZINC001212689369 1131899392 /nfs/dbraw/zinc/89/93/92/1131899392.db2.gz ASMNVCBKYUYZDR-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3cccc4cnccc43)no2)n1 ZINC001212689369 1131899401 /nfs/dbraw/zinc/89/94/01/1131899401.db2.gz ASMNVCBKYUYZDR-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM COc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c(Cl)c1 ZINC001212690116 1131900891 /nfs/dbraw/zinc/90/08/91/1131900891.db2.gz YPIVEDKKLDUVQX-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM COc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c(Cl)c1 ZINC001212690116 1131900899 /nfs/dbraw/zinc/90/08/99/1131900899.db2.gz YPIVEDKKLDUVQX-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM CC(C)(C)c1ccnc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689708 1131901454 /nfs/dbraw/zinc/90/14/54/1131901454.db2.gz NGZRUWQNXVWNKH-UHFFFAOYSA-N -1 1 337.305 3.838 20 0 EHADMM CC(C)(C)c1ccnc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689708 1131901461 /nfs/dbraw/zinc/90/14/61/1131901461.db2.gz NGZRUWQNXVWNKH-UHFFFAOYSA-N -1 1 337.305 3.838 20 0 EHADMM COc1cc(CNC(=O)c2c([O-])cccc2Cl)c2ccccc2n1 ZINC000743717981 1131969869 /nfs/dbraw/zinc/96/98/69/1131969869.db2.gz ZMKGZCUMTBEURJ-UHFFFAOYSA-N -1 1 342.782 3.532 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC001212722690 1132046756 /nfs/dbraw/zinc/04/67/56/1132046756.db2.gz VPKOIQDCWGUQGX-UHFFFAOYSA-N -1 1 332.319 3.692 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2ccccc2Cl)c1 ZINC000744501144 1132112444 /nfs/dbraw/zinc/11/24/44/1132112444.db2.gz GWYPIZXEWOVWRW-UHFFFAOYSA-N -1 1 346.810 3.967 20 0 EHADMM CC(C)=C[C@@H]1[C@H](C(=O)OCCc2cc(C(C)=O)ccc2[O-])C1(C)C ZINC000744529517 1132118301 /nfs/dbraw/zinc/11/83/01/1132118301.db2.gz CSJMSEAKMUEJLV-SJLPKXTDSA-N -1 1 330.424 3.919 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000744872327 1132160315 /nfs/dbraw/zinc/16/03/15/1132160315.db2.gz IKCRKKOLPHMUHT-ZDUSSCGKSA-N -1 1 344.382 3.698 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2cc(F)ccc2F)c1 ZINC000744846117 1132160382 /nfs/dbraw/zinc/16/03/82/1132160382.db2.gz LJIYDRCHDGGDEQ-UHFFFAOYSA-N -1 1 348.345 3.592 20 0 EHADMM CC(=O)Nc1ccc(Nc2ccc(F)c(Br)c2[O-])cc1 ZINC001173976582 1132205191 /nfs/dbraw/zinc/20/51/91/1132205191.db2.gz JICRTUGWRLDBCI-UHFFFAOYSA-N -1 1 339.164 3.996 20 0 EHADMM O=c1ccn(-c2ccc(Nc3cnn(Cc4ccccc4)c3)cc2)[n-]1 ZINC001174135089 1132249812 /nfs/dbraw/zinc/24/98/12/1132249812.db2.gz RPAZQKAACRXZDS-UHFFFAOYSA-N -1 1 331.379 3.566 20 0 EHADMM CC1CCN(C(=O)c2ccc([N-]c3nnc(C(C)(C)C)o3)cc2)CC1 ZINC001174158418 1132259658 /nfs/dbraw/zinc/25/96/58/1132259658.db2.gz IANAIJZPBQWXTB-UHFFFAOYSA-N -1 1 342.443 3.983 20 0 EHADMM O=S(=O)([O-])c1ccc(Nc2cccc3[nH]ncc32)c2ccccc21 ZINC001174345472 1132325663 /nfs/dbraw/zinc/32/56/63/1132325663.db2.gz CGHUBJIRYHDBRC-UHFFFAOYSA-N -1 1 339.376 3.706 20 0 EHADMM CC(C)(C)OC(=O)N1CCC(=CNc2ccc(F)c(F)c2[O-])CC1 ZINC001174847770 1132485656 /nfs/dbraw/zinc/48/56/56/1132485656.db2.gz YVTQCDDLVOYRCQ-UHFFFAOYSA-N -1 1 340.370 3.997 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2N)c2ccccc12 ZINC001174987159 1132536451 /nfs/dbraw/zinc/53/64/51/1132536451.db2.gz KKBMCTDGIAKGBI-UHFFFAOYSA-N -1 1 330.384 3.670 20 0 EHADMM CCOc1cc(C)c(Nc2cc(S(C)(=O)=O)ccc2[O-])c(C)c1 ZINC001175173624 1132589300 /nfs/dbraw/zinc/58/93/00/1132589300.db2.gz NSXZBJPGMMEJBI-UHFFFAOYSA-N -1 1 335.425 3.555 20 0 EHADMM CN1CCN(c2ccccc2Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001175315435 1132635895 /nfs/dbraw/zinc/63/58/95/1132635895.db2.gz HCQBEMVZWSUAKR-UHFFFAOYSA-N -1 1 345.830 3.534 20 0 EHADMM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])c(Cl)c3)cc2)CC1 ZINC001175317359 1132637387 /nfs/dbraw/zinc/63/73/87/1132637387.db2.gz WYUOJKPNLYIUDZ-UHFFFAOYSA-N -1 1 345.830 3.534 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000766581182 1132656976 /nfs/dbraw/zinc/65/69/76/1132656976.db2.gz PUVPAGHUONNCKZ-UHFFFAOYSA-N -1 1 327.352 3.571 20 0 EHADMM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)c1ncccc1[O-] ZINC001175955918 1132812409 /nfs/dbraw/zinc/81/24/09/1132812409.db2.gz AAKFUHAKFFZLOC-ZDUSSCGKSA-N -1 1 330.815 3.849 20 0 EHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)ncc1C(F)(F)F ZINC001176669022 1132978835 /nfs/dbraw/zinc/97/88/35/1132978835.db2.gz CGCZIRJIEZPAKU-UHFFFAOYSA-N -1 1 338.207 3.976 20 0 EHADMM COc1ccc(NC(C)=O)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671538 1132979589 /nfs/dbraw/zinc/97/95/89/1132979589.db2.gz FYXFKSLGFGFAIN-UHFFFAOYSA-N -1 1 326.274 3.520 20 0 EHADMM COCCOc1c(F)cc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176673510 1132980015 /nfs/dbraw/zinc/98/00/15/1132980015.db2.gz ISSFXLTZWDOWBS-UHFFFAOYSA-N -1 1 349.255 3.857 20 0 EHADMM CCOC(=O)c1ncc(Nc2c(F)cc(F)c([O-])c2F)cc1Cl ZINC001176662847 1132987308 /nfs/dbraw/zinc/98/73/08/1132987308.db2.gz ANIFOJCVSACVQX-UHFFFAOYSA-N -1 1 346.692 3.778 20 0 EHADMM C/C(=C/c1c(Cl)cccc1Cl)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000767930983 1133072430 /nfs/dbraw/zinc/07/24/30/1133072430.db2.gz HYQRBOGVNZYPCT-CFYYFVFUSA-N -1 1 330.211 3.971 20 0 EHADMM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc([O-])c(F)c1 ZINC000768197476 1133112748 /nfs/dbraw/zinc/11/27/48/1133112748.db2.gz FVSNQIGRNYTJED-UHFFFAOYSA-N -1 1 332.762 3.639 20 0 EHADMM C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1cccc2ccccc21 ZINC000773713656 1133119317 /nfs/dbraw/zinc/11/93/17/1133119317.db2.gz WZOQLOAUBZTKMW-GFCCVEGCSA-N -1 1 348.431 3.662 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc(C(C)(C)O)c2)cc(Cl)c1[O-] ZINC000768282216 1133124801 /nfs/dbraw/zinc/12/48/01/1133124801.db2.gz DWOQFTXHBNOLGE-UHFFFAOYSA-N -1 1 349.814 3.924 20 0 EHADMM Cc1nc(C)c([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)s1 ZINC000768886144 1133196483 /nfs/dbraw/zinc/19/64/83/1133196483.db2.gz BGTHTXMPOSTORL-VOTSOKGWSA-N -1 1 328.846 3.826 20 0 EHADMM Cc1ccccc1-n1cc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001179307911 1133242124 /nfs/dbraw/zinc/24/21/24/1133242124.db2.gz HAANRVYQDFCXSG-UHFFFAOYSA-N -1 1 345.406 3.684 20 0 EHADMM COc1ccccc1C[C@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769929496 1133368079 /nfs/dbraw/zinc/36/80/79/1133368079.db2.gz WSXCMWJVUMBJOW-LBPRGKRZSA-N -1 1 333.815 3.757 20 0 EHADMM O=C(O[C@@H]1Cc2ccccc2C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000770020629 1133378550 /nfs/dbraw/zinc/37/85/50/1133378550.db2.gz VAUFIZIRRLILFW-GFCCVEGCSA-N -1 1 337.158 3.663 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000770039242 1133380810 /nfs/dbraw/zinc/38/08/10/1133380810.db2.gz RMDUPLAMEDTGLP-XIKOKIGWSA-N -1 1 339.366 3.536 20 0 EHADMM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1c([O-])cccc1Cl ZINC000770096844 1133386329 /nfs/dbraw/zinc/38/63/29/1133386329.db2.gz NAAJCBJYMLCXAB-XJKSGUPXSA-N -1 1 345.826 3.943 20 0 EHADMM CCC(CC)(C(=O)Nc1cc(=O)[n-]c(SC)n1)c1ccccc1 ZINC001181135020 1133457859 /nfs/dbraw/zinc/45/78/59/1133457859.db2.gz PXWUALXVZCOREL-UHFFFAOYSA-N -1 1 331.441 3.601 20 0 EHADMM CCOc1cc(-c2noc(COC3(C)CCC3)n2)cc(Cl)c1[O-] ZINC000771109946 1133511594 /nfs/dbraw/zinc/51/15/94/1133511594.db2.gz VAGVPNILUXLNDZ-UHFFFAOYSA-N -1 1 338.791 3.954 20 0 EHADMM [O-]c1ccc(-c2noc(-c3csc(-c4ccccn4)n3)n2)c(F)c1 ZINC000771210397 1133527990 /nfs/dbraw/zinc/52/79/90/1133527990.db2.gz KPJZHMVZBHAORW-UHFFFAOYSA-N -1 1 340.339 3.767 20 0 EHADMM CCCCC[C@H](C)CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000774012944 1133588284 /nfs/dbraw/zinc/58/82/84/1133588284.db2.gz QCNPIBOULKFBAP-LBPRGKRZSA-N -1 1 344.452 3.742 20 0 EHADMM O=C(Cc1occ2ccccc21)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001182497504 1133690339 /nfs/dbraw/zinc/69/03/39/1133690339.db2.gz BMNJUHDZSHDNCC-UHFFFAOYSA-N -1 1 333.347 3.505 20 0 EHADMM CC(C)c1cccc(O[C@H](C)C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC001183209796 1133782931 /nfs/dbraw/zinc/78/29/31/1133782931.db2.gz NITPLWMYDMOQBI-LLVKDONJSA-N -1 1 334.803 3.970 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185185515 1134045242 /nfs/dbraw/zinc/04/52/42/1134045242.db2.gz MSYYXJFWCLDYCC-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCC3=O)ccc1Cl ZINC001185524478 1134103276 /nfs/dbraw/zinc/10/32/76/1134103276.db2.gz FUSCLAQOWVBQAG-UHFFFAOYSA-N -1 1 335.812 3.578 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)sn1 ZINC001186169869 1134181765 /nfs/dbraw/zinc/18/17/65/1134181765.db2.gz VUCLQERWJVAEGW-INIZCTEOSA-N -1 1 336.482 3.661 20 0 EHADMM O=C(Nc1cc(F)c(OCC2CC2)c(F)c1)c1ccc([O-])c(F)c1 ZINC001186225427 1134182715 /nfs/dbraw/zinc/18/27/15/1134182715.db2.gz CWNJVBKUTAZVCL-UHFFFAOYSA-N -1 1 337.297 3.851 20 0 EHADMM O=C(Nc1cccc(F)c1N1CCCCC1)c1ccc([O-])c(F)c1 ZINC001186226365 1134182777 /nfs/dbraw/zinc/18/27/77/1134182777.db2.gz NAXLCEXZBVRNSG-UHFFFAOYSA-N -1 1 332.350 3.913 20 0 EHADMM Cc1cc(C)c(NC(=O)c2ccc([O-])c(F)c2)c(Br)n1 ZINC001186209214 1134188079 /nfs/dbraw/zinc/18/80/79/1134188079.db2.gz ROXDQAFDQOFPMV-UHFFFAOYSA-N -1 1 339.164 3.558 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001186327943 1134195898 /nfs/dbraw/zinc/19/58/98/1134195898.db2.gz XTPGHMMVJYKZRC-FQEVSTJZSA-N -1 1 343.373 3.791 20 0 EHADMM O=C(Nc1cncc(Br)c1Cl)c1ccc([O-])cc1F ZINC001186311502 1134198952 /nfs/dbraw/zinc/19/89/52/1134198952.db2.gz TWAFMVKWUHNTIV-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM CCCC[C@H](CC)COCCCNC(=O)c1ccc([O-])cc1F ZINC001186337733 1134203628 /nfs/dbraw/zinc/20/36/28/1134203628.db2.gz RRPYZYBJAQJSNF-AWEZNQCLSA-N -1 1 325.424 3.884 20 0 EHADMM COc1cc(OC)c(NC(=O)Nc2cccc(F)c2[O-])cc1Cl ZINC001187403647 1134332033 /nfs/dbraw/zinc/33/20/33/1134332033.db2.gz RUEQICNQPRLERO-UHFFFAOYSA-N -1 1 340.738 3.846 20 0 EHADMM CCCCOc1ccc(C(=O)N(Cc2ccccc2)OC)c([O-])c1 ZINC000789846303 1134338067 /nfs/dbraw/zinc/33/80/67/1134338067.db2.gz PZJAQCCWQLRWRD-UHFFFAOYSA-N -1 1 329.396 3.775 20 0 EHADMM C/C=C(\CC)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000789853299 1134342037 /nfs/dbraw/zinc/34/20/37/1134342037.db2.gz IVTPJRPADTVVQX-QLKAYGNNSA-N -1 1 330.428 3.750 20 0 EHADMM CSc1cc2c(cc1[N-]C(=O)c1nc(Cl)cs1)OCCO2 ZINC000789921272 1134344347 /nfs/dbraw/zinc/34/43/47/1134344347.db2.gz GYFGHKFGPCSSCH-UHFFFAOYSA-N -1 1 342.829 3.542 20 0 EHADMM Cn1cc(CCC(=O)Nc2nc(Cl)ccc2[O-])c2ccccc21 ZINC000789931702 1134346390 /nfs/dbraw/zinc/34/63/90/1134346390.db2.gz JJRBVEKAEQZYNK-UHFFFAOYSA-N -1 1 329.787 3.504 20 0 EHADMM Cc1ncc(C(=O)Nc2nc(Cl)ccc2[O-])c(Cl)c1Cl ZINC000790047383 1134364512 /nfs/dbraw/zinc/36/45/12/1134364512.db2.gz GHPMHJRLHVSBSA-UHFFFAOYSA-N -1 1 332.574 3.703 20 0 EHADMM O=C(Nc1cccc(-c2cccs2)c1)c1n[n-]nc1C(F)(F)F ZINC001187766317 1134381655 /nfs/dbraw/zinc/38/16/55/1134381655.db2.gz PRFCYROZWKBQIE-UHFFFAOYSA-N -1 1 338.314 3.804 20 0 EHADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C)c(C)cc1C ZINC001187998531 1134410219 /nfs/dbraw/zinc/41/02/19/1134410219.db2.gz RUWZNMCVSYCFSI-UHFFFAOYSA-N -1 1 346.452 3.626 20 0 EHADMM Cc1ccc(NC(=O)c2ncc(C(F)(F)F)[n-]2)cc1OC(F)F ZINC001188288574 1134445045 /nfs/dbraw/zinc/44/50/45/1134445045.db2.gz DVJSCMALBOUCKK-UHFFFAOYSA-N -1 1 335.232 3.591 20 0 EHADMM Cc1ccc(NC(=O)c2nc(C(F)(F)F)c[n-]2)cc1OC(F)F ZINC001188288574 1134445048 /nfs/dbraw/zinc/44/50/48/1134445048.db2.gz DVJSCMALBOUCKK-UHFFFAOYSA-N -1 1 335.232 3.591 20 0 EHADMM O=C(Nc1ccc(C(F)F)nc1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188571779 1134477839 /nfs/dbraw/zinc/47/78/39/1134477839.db2.gz DJFCXJJEOZYJMM-UHFFFAOYSA-N -1 1 332.228 3.996 20 0 EHADMM Cc1c(F)cccc1NC(=O)Nc1nc(Br)ccc1[O-] ZINC001189018539 1134532648 /nfs/dbraw/zinc/53/26/48/1134532648.db2.gz HINFCQVBINAHEO-UHFFFAOYSA-N -1 1 340.152 3.641 20 0 EHADMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cc(F)cc(Cl)c1 ZINC001189686225 1134611240 /nfs/dbraw/zinc/61/12/40/1134611240.db2.gz DLHLIAQVZOSPOZ-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(-c3ccccc3C)c2)n1 ZINC001190289948 1134680885 /nfs/dbraw/zinc/68/08/85/1134680885.db2.gz LSDWQVJPILZGKR-UHFFFAOYSA-N -1 1 349.390 3.814 20 0 EHADMM Cc1csc(C(=O)Nc2nc(Br)ccc2[O-])c1Cl ZINC000792399471 1134685017 /nfs/dbraw/zinc/68/50/17/1134685017.db2.gz MSNFLPGWJANYBC-UHFFFAOYSA-N -1 1 347.621 3.825 20 0 EHADMM CCc1cc2c(CN(C)c3ccc(F)cc3)cc(=O)oc2cc1[O-] ZINC001190400148 1134691939 /nfs/dbraw/zinc/69/19/39/1134691939.db2.gz WFBQGWCBZNNPFQ-UHFFFAOYSA-N -1 1 327.355 3.837 20 0 EHADMM CCn1ncc2cc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)ccc21 ZINC001190506236 1134708065 /nfs/dbraw/zinc/70/80/65/1134708065.db2.gz KSMZBIFFRDQLAA-UHFFFAOYSA-N -1 1 341.436 3.734 20 0 EHADMM COc1cc(C(=O)N(C)CC/C=C/c2cccnc2)cc(Cl)c1[O-] ZINC001191146203 1134811768 /nfs/dbraw/zinc/81/17/68/1134811768.db2.gz COHMPHDBQDVCOG-ZZXKWVIFSA-N -1 1 346.814 3.625 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cnc(OC)cc2C)cc1 ZINC001191234164 1134832301 /nfs/dbraw/zinc/83/23/01/1134832301.db2.gz ZOIPUTWWZAJWEE-UHFFFAOYSA-N -1 1 334.441 3.542 20 0 EHADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1 ZINC001191451546 1134860948 /nfs/dbraw/zinc/86/09/48/1134860948.db2.gz BHYWAPFUOFLJOU-UHFFFAOYSA-N -1 1 345.420 3.542 20 0 EHADMM Cc1cc(NC(=O)Nc2cccc(C(=O)N(C)C)c2[O-])ccc1Cl ZINC001191770901 1134911693 /nfs/dbraw/zinc/91/16/93/1134911693.db2.gz BYPGINFJARDIRX-UHFFFAOYSA-N -1 1 347.802 3.700 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC001191822031 1134930760 /nfs/dbraw/zinc/93/07/60/1134930760.db2.gz UBVRVCOATMVZDU-UHFFFAOYSA-N -1 1 341.816 3.554 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cccc3c2NC(=O)NC3)c([O-])c1 ZINC001192335599 1135000720 /nfs/dbraw/zinc/00/07/20/1135000720.db2.gz KYRSCSJQNGGJCE-UHFFFAOYSA-N -1 1 339.395 3.577 20 0 EHADMM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1sccc1Cl ZINC001192416716 1135011822 /nfs/dbraw/zinc/01/18/22/1135011822.db2.gz XDTDCPPHGJPDFV-LBPRGKRZSA-N -1 1 347.864 3.840 20 0 EHADMM COc1cc(OC)c(NC(=O)c2c(F)ccc([O-])c2F)cc1Cl ZINC001192520576 1135026540 /nfs/dbraw/zinc/02/65/40/1135026540.db2.gz OKKQMGVCDHJSJC-UHFFFAOYSA-N -1 1 343.713 3.593 20 0 EHADMM O=C(Nc1cc(F)cc(Br)c1)c1c(F)ccc([O-])c1F ZINC001192540547 1135032153 /nfs/dbraw/zinc/03/21/53/1135032153.db2.gz OMUULLZFQBEWML-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM CCC([N-]S(=O)(=O)c1c(F)cc(C)cc1F)(C1CC1)C1CC1 ZINC001192544262 1135033565 /nfs/dbraw/zinc/03/35/65/1135033565.db2.gz WVKULXCOLHPXFP-UHFFFAOYSA-N -1 1 329.412 3.520 20 0 EHADMM COc1ccc(C2=CCN(C(=O)c3cc([O-])cc(F)c3F)CC2)cc1 ZINC001192665656 1135047161 /nfs/dbraw/zinc/04/71/61/1135047161.db2.gz RVYLIRBSCNROLJ-UHFFFAOYSA-N -1 1 345.345 3.609 20 0 EHADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(-c2ccccc2)cc1 ZINC001129637451 1135124930 /nfs/dbraw/zinc/12/49/30/1135124930.db2.gz FAVSQPXBRROKFV-UHFFFAOYSA-N -1 1 345.402 3.980 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ncc(F)cc2F)c2ccccc12 ZINC001193832958 1135190762 /nfs/dbraw/zinc/19/07/62/1135190762.db2.gz GPKQGWKCEJGWAC-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM O=S(=O)([N-]CC[C@H]1CCCC1(F)F)c1cccc(Cl)c1F ZINC001194108525 1135227347 /nfs/dbraw/zinc/22/73/47/1135227347.db2.gz ILBSBVGLYZBQGY-SECBINFHSA-N -1 1 341.782 3.583 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ncc(Cl)cc1Cl ZINC001194605652 1135292812 /nfs/dbraw/zinc/29/28/12/1135292812.db2.gz PTLAJUCITKDWLI-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2c(C)cccc2C)cc1C ZINC001194642459 1135295617 /nfs/dbraw/zinc/29/56/17/1135295617.db2.gz FNVHUHVEXIKDFQ-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc(OC(C)C)c(C)c1 ZINC001194616129 1135300095 /nfs/dbraw/zinc/30/00/95/1135300095.db2.gz OIZLQYDEGACASI-UHFFFAOYSA-N -1 1 334.441 3.595 20 0 EHADMM O=C(Nc1ccccc1-c1ccncc1)c1c[n-]c(C(F)(F)F)n1 ZINC001194783597 1135315130 /nfs/dbraw/zinc/31/51/30/1135315130.db2.gz RPUXYAPDWUUSJD-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1C ZINC001195156398 1135383669 /nfs/dbraw/zinc/38/36/69/1135383669.db2.gz KYGSKONPTZJIFL-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ncc(F)cc1Cl ZINC001195278091 1135404555 /nfs/dbraw/zinc/40/45/55/1135404555.db2.gz LUQKTGCQKPQVDX-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM O=C(c1cc([O-])cnc1Cl)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001195305511 1135409719 /nfs/dbraw/zinc/40/97/19/1135409719.db2.gz LEYBYRZFCJHEMT-MRXNPFEDSA-N -1 1 341.798 3.899 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1F ZINC001195309149 1135410723 /nfs/dbraw/zinc/41/07/23/1135410723.db2.gz IEYJKEGJYFPMFW-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1cc([C@H](C)NC(=O)c2cc([O-])cnc2Cl)ccc1Cl ZINC001195313194 1135411788 /nfs/dbraw/zinc/41/17/88/1135411788.db2.gz SAUZTIDGGUVXEP-VIFPVBQESA-N -1 1 325.195 3.893 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(OCC(C)(C)C)c(F)c1 ZINC001195492136 1135433069 /nfs/dbraw/zinc/43/30/69/1135433069.db2.gz COKZMVONRRMNNC-UHFFFAOYSA-N -1 1 328.409 3.694 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C(C)(C)C)cc2C)cn1 ZINC001195722736 1135460295 /nfs/dbraw/zinc/46/02/95/1135460295.db2.gz GIEIBEZORGHKHQ-UHFFFAOYSA-N -1 1 348.468 3.805 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@@H](C)c1ccccc1 ZINC000747374444 1135526116 /nfs/dbraw/zinc/52/61/16/1135526116.db2.gz FRXOJNGEXKURBO-CYBMUJFWSA-N -1 1 327.428 3.538 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccccc1NCc1ccco1 ZINC000807368314 1135539641 /nfs/dbraw/zinc/53/96/41/1135539641.db2.gz LLWVCZWCNLTXEJ-UHFFFAOYSA-N -1 1 343.770 3.898 20 0 EHADMM O=S(=O)([N-]c1cccc(CO)c1)c1ccc2cc(Cl)ccc2c1 ZINC001196435394 1135556777 /nfs/dbraw/zinc/55/67/77/1135556777.db2.gz LTZSSXXZWYJPLX-UHFFFAOYSA-N -1 1 347.823 3.786 20 0 EHADMM O=S(=O)([N-]c1ncccc1F)c1ccc2cc(Cl)ccc2c1 ZINC001196414524 1135560768 /nfs/dbraw/zinc/56/07/68/1135560768.db2.gz PFOLSFGSDKESLC-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=S)Nc2cccc(C)c2C)c1 ZINC001196418111 1135560946 /nfs/dbraw/zinc/56/09/46/1135560946.db2.gz MOOQUUYWFCMKHL-UHFFFAOYSA-N -1 1 330.409 3.605 20 0 EHADMM COc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)c(C)c1OC ZINC000807857798 1135578128 /nfs/dbraw/zinc/57/81/28/1135578128.db2.gz ILBPHFAUZBQVFB-LLVKDONJSA-N -1 1 349.814 3.862 20 0 EHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc(Cl)c1F ZINC001197601040 1135713169 /nfs/dbraw/zinc/71/31/69/1135713169.db2.gz RWIWFAHDTVHHMN-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2nccnc2c1 ZINC001198147505 1135779365 /nfs/dbraw/zinc/77/93/65/1135779365.db2.gz CJWHAMPXMLCMJI-UHFFFAOYSA-N -1 1 335.388 3.584 20 0 EHADMM CC(C)c1ccc(NC(=S)NCC(=O)c2ccc([O-])cc2)cc1 ZINC001198643080 1135841806 /nfs/dbraw/zinc/84/18/06/1135841806.db2.gz UNTKMBUVIIEWSM-UHFFFAOYSA-N -1 1 328.437 3.685 20 0 EHADMM O=S(=O)([N-]c1ncc(Cl)cc1Cl)c1ccc2occc2c1 ZINC001198831400 1135857933 /nfs/dbraw/zinc/85/79/33/1135857933.db2.gz WLTNPLPAHDWSSJ-UHFFFAOYSA-N -1 1 343.191 3.935 20 0 EHADMM O=c1ccn(-c2ccc(NC(=S)NC3CCCCCC3)cc2)[n-]1 ZINC001199973957 1135942445 /nfs/dbraw/zinc/94/24/45/1135942445.db2.gz NMBMAHMIBBJWTE-UHFFFAOYSA-N -1 1 330.457 3.587 20 0 EHADMM O=c1ccn(-c2ccc(NC(=S)Nc3ccc(F)cc3F)cc2)[n-]1 ZINC001200935286 1135967224 /nfs/dbraw/zinc/96/72/24/1135967224.db2.gz ZFQKNZXVABVFGF-UHFFFAOYSA-N -1 1 346.362 3.665 20 0 EHADMM CC(C)Oc1cc([N-]S(=O)(=O)c2cccc(N)c2)ccc1Cl ZINC001201383668 1136014565 /nfs/dbraw/zinc/01/45/65/1136014565.db2.gz VWDDLLZKNQFMJZ-UHFFFAOYSA-N -1 1 340.832 3.510 20 0 EHADMM CC(C)Oc1cc([N-]S(=O)(=O)c2ccccc2N)ccc1Cl ZINC001201384600 1136014580 /nfs/dbraw/zinc/01/45/80/1136014580.db2.gz KPUISDWNQYARFM-UHFFFAOYSA-N -1 1 340.832 3.510 20 0 EHADMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1ccc(Br)o1 ZINC001132720030 1136067220 /nfs/dbraw/zinc/06/72/20/1136067220.db2.gz KJMZXYWLELVCKU-UHFFFAOYSA-N -1 1 338.054 3.851 20 0 EHADMM CCc1cc2c(COC(=O)C3CCCCC3)cc(=O)oc2cc1[O-] ZINC000006377006 1136172055 /nfs/dbraw/zinc/17/20/55/1136172055.db2.gz KDOSVUPIEKWRDO-UHFFFAOYSA-N -1 1 330.380 3.685 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccccc1[O-] ZINC000108159154 1136183222 /nfs/dbraw/zinc/18/32/22/1136183222.db2.gz GNOQLOFSHFMWNL-UHFFFAOYSA-N -1 1 328.368 3.992 20 0 EHADMM Cc1cc(C)c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(C)c1 ZINC000007032875 1136190433 /nfs/dbraw/zinc/19/04/33/1136190433.db2.gz DDXDZSHTCWPEBW-UHFFFAOYSA-N -1 1 338.359 3.781 20 0 EHADMM C[C@@H](C(=O)[N-]OC/C=C\Cl)c1cccc(C(=O)c2ccccc2)c1 ZINC000812408037 1136209010 /nfs/dbraw/zinc/20/90/10/1136209010.db2.gz MBEJKYSFCGTGNG-RQWJFSOLSA-N -1 1 343.810 3.821 20 0 EHADMM O=C(CCCc1ccc(C2CC2)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC001134128905 1136410011 /nfs/dbraw/zinc/41/00/11/1136410011.db2.gz ZBESPKKWALJCFT-UHFFFAOYSA-N -1 1 338.333 3.662 20 0 EHADMM O=c1cc(CN[C@H](c2ccccc2)C(F)F)c2ccc([O-])cc2o1 ZINC000814650428 1136485375 /nfs/dbraw/zinc/48/53/75/1136485375.db2.gz RKVBRSYSVBJWOA-QGZVFWFLSA-N -1 1 331.318 3.595 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)[C@@H]3CCC(C)=C(C)C3)[nH]c21 ZINC001134753331 1136527895 /nfs/dbraw/zinc/52/78/95/1136527895.db2.gz JRSNXDDKZVNMMI-CYBMUJFWSA-N -1 1 341.411 3.815 20 0 EHADMM Cc1cnn(-c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2)c1 ZINC000111668296 1136570118 /nfs/dbraw/zinc/57/01/18/1136570118.db2.gz ORTSRXYNUUJDMZ-UHFFFAOYSA-N -1 1 327.771 3.792 20 0 EHADMM C[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)N1CCc2ccccc2C1 ZINC000885675889 1136604926 /nfs/dbraw/zinc/60/49/26/1136604926.db2.gz DIYSWGXTROZDBN-LLVKDONJSA-N -1 1 348.805 3.570 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C1CC2(CC2)C1 ZINC000854432576 1136616208 /nfs/dbraw/zinc/61/62/08/1136616208.db2.gz QLHWOSYUEWFLIM-UHFFFAOYSA-N -1 1 330.609 3.937 20 0 EHADMM CON(C(=O)c1cc(SC)ccc1[O-])[C@@H](C)c1csc(C)n1 ZINC000854754321 1136641364 /nfs/dbraw/zinc/64/13/64/1136641364.db2.gz LYFCYDNHUKXODP-VIFPVBQESA-N -1 1 338.454 3.644 20 0 EHADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c([O-])c2)cc1OC ZINC001135400564 1136677310 /nfs/dbraw/zinc/67/73/10/1136677310.db2.gz ZGOADIOXKAEJNS-HNNXBMFYSA-N -1 1 345.370 3.526 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(F)ccc1Cl ZINC000816426259 1136714230 /nfs/dbraw/zinc/71/42/30/1136714230.db2.gz ARFSIGBRNFNHPW-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM CON(C(=O)c1cncc([O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000856341326 1136778371 /nfs/dbraw/zinc/77/83/71/1136778371.db2.gz MUIJEZNHZUJAHP-SNVBAGLBSA-N -1 1 340.301 3.571 20 0 EHADMM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1ccc(Cl)cc1[O-] ZINC001170912246 1136887997 /nfs/dbraw/zinc/88/79/97/1136887997.db2.gz IWFRJMYVRMDQHG-UHOFOFEASA-N -1 1 334.202 3.767 20 0 EHADMM CCC[C@@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Cl)cc1 ZINC000857615791 1136891607 /nfs/dbraw/zinc/89/16/07/1136891607.db2.gz ZYFIWELFZRVMOC-CQSZACIVSA-N -1 1 342.830 3.518 20 0 EHADMM O=C(Nc1ccccc1-n1ccnc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001136185498 1136911277 /nfs/dbraw/zinc/91/12/77/1136911277.db2.gz BDXBPFNWJXPVQZ-UHFFFAOYSA-N -1 1 347.296 3.849 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC001136329486 1136988192 /nfs/dbraw/zinc/98/81/92/1136988192.db2.gz DXZMMYHNSBKIMY-KRWDZBQOSA-N -1 1 327.355 3.630 20 0 EHADMM COc1cnc(C=Cc2ccc(OCc3ccccc3)cc2)[n-]c1=O ZINC000821008460 1137015466 /nfs/dbraw/zinc/01/54/66/1137015466.db2.gz PZPYMKRKBLBROA-XFXZXTDPSA-N -1 1 334.375 3.940 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)co1 ZINC000821435658 1137027122 /nfs/dbraw/zinc/02/71/22/1137027122.db2.gz BBKMQOCICBBLKG-SREVYHEPSA-N -1 1 344.396 3.839 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N(Cc2ccccc2F)C(C)C)c1 ZINC001136455505 1137028516 /nfs/dbraw/zinc/02/85/16/1137028516.db2.gz HGUCFZUICBUKQC-UHFFFAOYSA-N -1 1 329.371 3.703 20 0 EHADMM CCc1cc2c(CC(=O)[N-]O[C@H]3CCCCO3)csc2s1 ZINC001136459622 1137031144 /nfs/dbraw/zinc/03/11/44/1137031144.db2.gz BYWVNCIVANOZCK-AWEZNQCLSA-N -1 1 325.455 3.642 20 0 EHADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc2ccc(O)cc2c1[O-] ZINC001136785886 1137116271 /nfs/dbraw/zinc/11/62/71/1137116271.db2.gz MCLSOUXYNFXSCJ-AEGPPILISA-N -1 1 325.408 3.950 20 0 EHADMM C[C@@H]([N-]C(=O)C(C)(F)F)c1cc(F)c(Br)cc1F ZINC000862637027 1137152923 /nfs/dbraw/zinc/15/29/23/1137152923.db2.gz IGDYIZWCCKSVCF-RXMQYKEDSA-N -1 1 328.103 3.560 20 0 EHADMM C[C@]1(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1(Cl)Cl ZINC000825450282 1137178132 /nfs/dbraw/zinc/17/81/32/1137178132.db2.gz VTGHPYIDVQJWHG-AWEZNQCLSA-N -1 1 340.210 3.695 20 0 EHADMM CC(C)OC[C@H](NCc1c(Cl)cccc1SC(C)C)C(=O)[O-] ZINC000864518195 1137231656 /nfs/dbraw/zinc/23/16/56/1137231656.db2.gz XRWLPOZROMBDIQ-AWEZNQCLSA-N -1 1 345.892 3.808 20 0 EHADMM CC(C)OC[C@H](NCc1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000864517288 1137231693 /nfs/dbraw/zinc/23/16/93/1137231693.db2.gz CTZHOEURZNPNPT-HNNXBMFYSA-N -1 1 337.416 3.522 20 0 EHADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cc(OC)ccc1OC ZINC000864527631 1137232670 /nfs/dbraw/zinc/23/26/70/1137232670.db2.gz GORYKXZYWQXAQS-SFHVURJKSA-N -1 1 343.423 3.572 20 0 EHADMM Cn1c(Cl)cnc1C[N-]c1nc([C@@H]2CCCc3ccccc32)no1 ZINC000865294480 1137275289 /nfs/dbraw/zinc/27/52/89/1137275289.db2.gz KWWSCRBIUJJVPI-CYBMUJFWSA-N -1 1 343.818 3.537 20 0 EHADMM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc([O-])cc1F ZINC001144557914 1137309451 /nfs/dbraw/zinc/30/94/51/1137309451.db2.gz AYRKAPUMGSDWGG-UHFFFAOYSA-N -1 1 331.343 3.694 20 0 EHADMM [O-]c1cc(F)c(CN2CCN(c3ccc(Cl)cc3)CC2)cc1F ZINC001144646748 1137322298 /nfs/dbraw/zinc/32/22/98/1137322298.db2.gz INGRZWDFWREHOY-UHFFFAOYSA-N -1 1 338.785 3.646 20 0 EHADMM CCc1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC001144645053 1137324271 /nfs/dbraw/zinc/32/42/71/1137324271.db2.gz HYBJPGDAHCKEAT-UHFFFAOYSA-N -1 1 334.213 3.647 20 0 EHADMM COc1cccc([C@@H]2CSCCN2Cc2sccc2C(=O)[O-])c1 ZINC001144684819 1137329591 /nfs/dbraw/zinc/32/95/91/1137329591.db2.gz PPVZSTZCTBWQNL-HNNXBMFYSA-N -1 1 349.477 3.745 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ncc(C(F)(F)F)cc1Cl ZINC001146492888 1137390792 /nfs/dbraw/zinc/39/07/92/1137390792.db2.gz TZDIBMOITGXVGU-UHFFFAOYSA-N -1 1 334.656 3.851 20 0 EHADMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1nc(C2CC2)cs1 ZINC001146915506 1137397689 /nfs/dbraw/zinc/39/76/89/1137397689.db2.gz PPBWZPHWHUAXSV-UHFFFAOYSA-N -1 1 346.412 3.930 20 0 EHADMM CCc1oncc1C(=O)[N-]c1c(C(=O)OC)oc2cccc(Cl)c21 ZINC001147491738 1137407668 /nfs/dbraw/zinc/40/76/68/1137407668.db2.gz AKOSESFBIPTRQR-UHFFFAOYSA-N -1 1 348.742 3.676 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)CCCC(C)C)cc2)[n-]1 ZINC001148337175 1137422774 /nfs/dbraw/zinc/42/27/74/1137422774.db2.gz WNGHRMRMLVIIDX-CQSZACIVSA-N -1 1 329.444 3.744 20 0 EHADMM O=C(Nc1nc(C2CC2)cs1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790208 1137433758 /nfs/dbraw/zinc/43/37/58/1137433758.db2.gz IJVZOQQURQSKGI-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM CC(=O)Oc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC001148800871 1137435340 /nfs/dbraw/zinc/43/53/40/1137435340.db2.gz KTMFQQZKJOORHS-UHFFFAOYSA-N -1 1 339.269 3.589 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000869250460 1137443466 /nfs/dbraw/zinc/44/34/66/1137443466.db2.gz OVVJIQRBSDRJRX-KRWDZBQOSA-N -1 1 345.826 3.987 20 0 EHADMM C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)c1ncccc1[O-] ZINC001171708126 1137505396 /nfs/dbraw/zinc/50/53/96/1137505396.db2.gz GNTKPWNHDAJGCC-SFHVURJKSA-N -1 1 348.805 3.817 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(CCSc1ccccc1)CC2 ZINC000872166698 1137574868 /nfs/dbraw/zinc/57/48/68/1137574868.db2.gz NZTGONIIBKKPQV-UHFFFAOYSA-N -1 1 343.448 3.544 20 0 EHADMM Cc1csc(C(C)(C)NC(=O)NCc2ccc([O-])c(Cl)c2)n1 ZINC000876394338 1137650679 /nfs/dbraw/zinc/65/06/79/1137650679.db2.gz UAMPMJLHPLGDAE-UHFFFAOYSA-N -1 1 339.848 3.545 20 0 EHADMM CC1(C)CN(C(=O)NCc2ccc([O-])c(Cl)c2)[C@H]1c1cccnc1 ZINC000876396972 1137650873 /nfs/dbraw/zinc/65/08/73/1137650873.db2.gz UCPFRUGMMBTORO-INIZCTEOSA-N -1 1 345.830 3.733 20 0 EHADMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1conc1C1CCCC1 ZINC000878696044 1137725353 /nfs/dbraw/zinc/72/53/53/1137725353.db2.gz SMRJHQLEJZLNPY-UHFFFAOYSA-N -1 1 341.346 3.509 20 0 EHADMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000881918529 1137817358 /nfs/dbraw/zinc/81/73/58/1137817358.db2.gz CZMXVSVYPYHNJI-UHFFFAOYSA-N -1 1 343.404 3.717 20 0 EHADMM O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc([O-])cc1F ZINC000882648191 1137830570 /nfs/dbraw/zinc/83/05/70/1137830570.db2.gz BBYXOHAYXRZNAL-UHFFFAOYSA-N -1 1 332.350 3.913 20 0 EHADMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)co1 ZINC000187244825 1137840541 /nfs/dbraw/zinc/84/05/41/1137840541.db2.gz GHBDFELMMZZKDY-NSHDSACASA-N -1 1 337.162 3.856 20 0 EHADMM CC[C@H](C)CN(C)C(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000111628983 1137904987 /nfs/dbraw/zinc/90/49/87/1137904987.db2.gz RDYDVMADARMJOB-NSHDSACASA-N -1 1 338.502 3.564 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000111666540 1137905148 /nfs/dbraw/zinc/90/51/48/1137905148.db2.gz VXCUAIGJDITKNH-HNNXBMFYSA-N -1 1 347.798 3.856 20 0 EHADMM [O-]c1ccc(CNc2cc(Cl)nc([C@@H]3CCCO3)n2)cc1Cl ZINC000884579951 1137963592 /nfs/dbraw/zinc/96/35/92/1137963592.db2.gz NKOBNWGHASPYMI-LBPRGKRZSA-N -1 1 340.210 3.953 20 0 EHADMM CC1=NN(c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2)CC1 ZINC000135905226 1138001323 /nfs/dbraw/zinc/00/13/23/1138001323.db2.gz VNVAMXYSFVJZLB-UHFFFAOYSA-N -1 1 329.787 3.884 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccnc1N1CCCCC1 ZINC000885674789 1138017861 /nfs/dbraw/zinc/01/78/61/1138017861.db2.gz VNJKIVJREYAMLY-UHFFFAOYSA-N -1 1 349.793 3.822 20 0 EHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2F)s1 ZINC000886412900 1138073671 /nfs/dbraw/zinc/07/36/71/1138073671.db2.gz WKPKMUTTWIRDIM-UHFFFAOYSA-N -1 1 332.397 3.520 20 0 EHADMM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1sccc1Cl ZINC000333376726 1138282632 /nfs/dbraw/zinc/28/26/32/1138282632.db2.gz DYNRWQZWPCECMU-LLVKDONJSA-N -1 1 349.905 3.562 20 0 EHADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCCc2ccc(F)cc21 ZINC000131850280 1138545904 /nfs/dbraw/zinc/54/59/04/1138545904.db2.gz RGMBDUJIMDFFQJ-HNNXBMFYSA-N -1 1 343.427 3.633 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000337748318 1138658692 /nfs/dbraw/zinc/65/86/92/1138658692.db2.gz HRBJTBJSVXLAAU-UHFFFAOYSA-N -1 1 345.449 3.599 20 0 EHADMM Cc1ncsc1CN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338387269 1138880776 /nfs/dbraw/zinc/88/07/76/1138880776.db2.gz PYHVQKULGIBIAW-UHFFFAOYSA-N -1 1 347.827 3.631 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2c(F)ccc(F)c2OC)s1 ZINC000153016417 1139118767 /nfs/dbraw/zinc/11/87/67/1139118767.db2.gz AMGCZHRXNYEAAO-UHFFFAOYSA-N -1 1 341.383 3.981 20 0 EHADMM O=C(c1ccc([O-])cc1F)N(Cc1ccccc1)CC1CCOCC1 ZINC000181219303 1139894022 /nfs/dbraw/zinc/89/40/22/1139894022.db2.gz ZQXOUHMUTPJNGG-UHFFFAOYSA-N -1 1 343.398 3.600 20 0 EHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(N2CCCC2)c1 ZINC000181258785 1139895383 /nfs/dbraw/zinc/89/53/83/1139895383.db2.gz QULDUJZVMZXHJW-CYBMUJFWSA-N -1 1 328.387 3.623 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2CCCc3occc32)cc(Cl)c1[O-] ZINC000186564712 1140210600 /nfs/dbraw/zinc/21/06/00/1140210600.db2.gz YZVLVPQNVUURJB-ZDUSSCGKSA-N -1 1 335.787 3.845 20 0 EHADMM Cc1cnc([C@H](C)[N-]C(=O)C(F)(F)c2c(F)cccc2F)s1 ZINC000270481893 1141230353 /nfs/dbraw/zinc/23/03/53/1141230353.db2.gz WOSUSJRBTSRSNW-QMMMGPOBSA-N -1 1 332.322 3.699 20 0 EHADMM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000272804717 1141421474 /nfs/dbraw/zinc/42/14/74/1141421474.db2.gz ZEUCAFVDWZKIEM-CYBMUJFWSA-N -1 1 342.823 3.533 20 0 EHADMM O=C(NCc1ccccc1OC1CCC1)c1c(F)ccc([O-])c1F ZINC000348737837 1141572992 /nfs/dbraw/zinc/57/29/92/1141572992.db2.gz DMVPFTCTBLIQLO-UHFFFAOYSA-N -1 1 333.334 3.532 20 0 EHADMM CCn1cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c2ccccc21 ZINC000348879999 1141603178 /nfs/dbraw/zinc/60/31/78/1141603178.db2.gz MZLGORPZUDFKSO-UHFFFAOYSA-N -1 1 336.420 3.787 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000024578777 202117137 /nfs/dbraw/zinc/11/71/37/202117137.db2.gz OROQJZCRXRAUKI-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n[nH]1 ZINC000616438644 479906860 /nfs/dbraw/zinc/90/68/60/479906860.db2.gz MUMKBDFYAKLVEB-IONNQARKSA-N -1 1 325.290 3.510 20 0 EHADMM CC(C)n1c2ccc(Cl)cc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000820211502 599155114 /nfs/dbraw/zinc/15/51/14/599155114.db2.gz PKRAYQWWRYWSMJ-UHFFFAOYSA-N -1 1 328.763 3.711 20 0 EHADMM CC(C)n1c2ccc(Cl)cc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000820211502 599155117 /nfs/dbraw/zinc/15/51/17/599155117.db2.gz PKRAYQWWRYWSMJ-UHFFFAOYSA-N -1 1 328.763 3.711 20 0 EHADMM C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N(C)CCC(=O)[O-] ZINC000818075884 597068591 /nfs/dbraw/zinc/06/85/91/597068591.db2.gz UGWPOYCOUQDLQD-MRVPVSSYSA-N -1 1 344.198 3.511 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000820057646 598189706 /nfs/dbraw/zinc/18/97/06/598189706.db2.gz SGMLRZUSBJNGLW-QGZVFWFLSA-N -1 1 334.460 3.571 20 0 EHADMM c1ccc(Oc2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)cc1 ZINC000738433028 599425930 /nfs/dbraw/zinc/42/59/30/599425930.db2.gz MGGCTPVWQYUIIJ-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM c1ccc(Oc2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2)cc1 ZINC000738433028 599425932 /nfs/dbraw/zinc/42/59/32/599425932.db2.gz MGGCTPVWQYUIIJ-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM Cc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000822274721 599541960 /nfs/dbraw/zinc/54/19/60/599541960.db2.gz GYORLLSIPLRLHT-QGZVFWFLSA-N -1 1 342.406 3.823 20 0 EHADMM Cc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000822274721 599541962 /nfs/dbraw/zinc/54/19/62/599541962.db2.gz GYORLLSIPLRLHT-QGZVFWFLSA-N -1 1 342.406 3.823 20 0 EHADMM CCc1ccccc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821492557 599569231 /nfs/dbraw/zinc/56/92/31/599569231.db2.gz RINNEIFUPAXBJP-UHFFFAOYSA-N -1 1 330.395 3.589 20 0 EHADMM CCc1ccccc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821492557 599569233 /nfs/dbraw/zinc/56/92/33/599569233.db2.gz RINNEIFUPAXBJP-UHFFFAOYSA-N -1 1 330.395 3.589 20 0 EHADMM COc1cccc(-c2nc(CN3CCCC[C@@H]3CC(=O)[O-])cs2)c1 ZINC000650506304 599754290 /nfs/dbraw/zinc/75/42/90/599754290.db2.gz GWMRNOAFDZCWHJ-OAHLLOKOSA-N -1 1 346.452 3.648 20 0 EHADMM C[C@H](CN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CC1)C(=O)[O-] ZINC000578076574 599947856 /nfs/dbraw/zinc/94/78/56/599947856.db2.gz PQCKXOYACZDJDW-LLVKDONJSA-N -1 1 334.803 3.680 20 0 EHADMM CC(C)Sc1ccc(Cl)cc1NC(=S)NCCCC(=O)[O-] ZINC000736498905 600149152 /nfs/dbraw/zinc/14/91/52/600149152.db2.gz JALVZGWPHCELGO-UHFFFAOYSA-N -1 1 346.905 3.992 20 0 EHADMM Cc1nn(-c2ccccc2)c(Cl)c1CN(CCC(=O)[O-])C(C)C ZINC000738903700 600395340 /nfs/dbraw/zinc/39/53/40/600395340.db2.gz YPLPVARRBAHRBT-UHFFFAOYSA-N -1 1 335.835 3.519 20 0 EHADMM C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736690164 600422736 /nfs/dbraw/zinc/42/27/36/600422736.db2.gz MIXKEXQNSGDICX-VIFPVBQESA-N -1 1 344.754 3.833 20 0 EHADMM CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CCC1 ZINC000737068713 600433061 /nfs/dbraw/zinc/43/30/61/600433061.db2.gz BUPOHWHLHVVERR-UHFFFAOYSA-N -1 1 345.226 3.505 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1F ZINC000426770431 600734074 /nfs/dbraw/zinc/73/40/74/600734074.db2.gz RXCUEPDXDBTPSC-CQSZACIVSA-N -1 1 343.276 3.640 20 0 EHADMM Cc1ccc(-c2cnc(CN3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000262434689 600987241 /nfs/dbraw/zinc/98/72/41/600987241.db2.gz CBDUCPFPOROGOA-ULQDDVLXSA-N -1 1 340.423 3.868 20 0 EHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)c(OCC2CC2)c1 ZINC000832933931 601494740 /nfs/dbraw/zinc/49/47/40/601494740.db2.gz LDGPEDLIDCEQKF-IBGZPJMESA-N -1 1 343.398 3.838 20 0 EHADMM CCOc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830045038 601644505 /nfs/dbraw/zinc/64/45/05/601644505.db2.gz UWFOPATVWAHQFE-QGZVFWFLSA-N -1 1 333.815 3.963 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000050926079 601842555 /nfs/dbraw/zinc/84/25/55/601842555.db2.gz DRMSLHBCBDXFPU-UHFFFAOYSA-N -1 1 344.224 3.665 20 0 EHADMM O=C([O-])c1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)s1 ZINC000833314044 601939809 /nfs/dbraw/zinc/93/98/09/601939809.db2.gz FRPVTVOYBPSURG-GFCCVEGCSA-N -1 1 337.466 3.689 20 0 EHADMM O=C([O-])NCC1(NCc2csc(-c3cccs3)n2)CCCC1 ZINC000740613926 602563507 /nfs/dbraw/zinc/56/35/07/602563507.db2.gz YLJHOCANQQNVCP-UHFFFAOYSA-N -1 1 337.470 3.542 20 0 EHADMM Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000740127470 602653380 /nfs/dbraw/zinc/65/33/80/602653380.db2.gz MKAHDQDSTHADTE-UHFFFAOYSA-N -1 1 340.788 3.539 20 0 EHADMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000739029596 603065633 /nfs/dbraw/zinc/06/56/33/603065633.db2.gz VTDXWNNPDJEJFS-KBPBESRZSA-N -1 1 343.427 3.771 20 0 EHADMM O=C([O-])c1csc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1 ZINC000833342721 604318339 /nfs/dbraw/zinc/31/83/39/604318339.db2.gz PAUWOQOHMKSUDV-UHFFFAOYSA-N -1 1 347.783 3.742 20 0 EHADMM CCOc1ccc(C2=CCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000833663774 604574093 /nfs/dbraw/zinc/57/40/93/604574093.db2.gz LPEMQWOMQVKRKO-UHFFFAOYSA-N -1 1 327.380 3.666 20 0 EHADMM CC(C)COC1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000567905571 605371258 /nfs/dbraw/zinc/37/12/58/605371258.db2.gz GLCLLKIQVNCICF-INIZCTEOSA-N -1 1 343.826 3.742 20 0 EHADMM O=C([O-])Nc1cccc(CN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000834269831 605607792 /nfs/dbraw/zinc/60/77/92/605607792.db2.gz STHVXKHPIFZVPS-SFHVURJKSA-N -1 1 336.395 3.504 20 0 EHADMM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CSc3ccccc32)c2ccccc21 ZINC000834160245 605800625 /nfs/dbraw/zinc/80/06/25/605800625.db2.gz SZOPCKUPGTZNTG-OAGGEKHMSA-N -1 1 326.421 3.877 20 0 EHADMM O=C([O-])N[C@H]1C[C@H](NC2(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000834156642 605806920 /nfs/dbraw/zinc/80/69/20/605806920.db2.gz CCSRJFFUDMOARM-IRXDYDNUSA-N -1 1 326.371 3.858 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H](C)c1ccccc1 ZINC000820456592 606141862 /nfs/dbraw/zinc/14/18/62/606141862.db2.gz VNRGBXCNWHKSRD-GHMZBOCLSA-N -1 1 328.807 3.519 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H](C)c1ccccc1 ZINC000820456592 606141863 /nfs/dbraw/zinc/14/18/63/606141863.db2.gz VNRGBXCNWHKSRD-GHMZBOCLSA-N -1 1 328.807 3.519 20 0 EHADMM C[C@@H](Sc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824764261 608178946 /nfs/dbraw/zinc/17/89/46/608178946.db2.gz UVLFSHGIOVCJOT-ZCFIWIBFSA-N -1 1 341.824 3.969 20 0 EHADMM C[C@@H](Sc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824764261 608178948 /nfs/dbraw/zinc/17/89/48/608178948.db2.gz UVLFSHGIOVCJOT-ZCFIWIBFSA-N -1 1 341.824 3.969 20 0 EHADMM CCc1ccc2nc(NCc3ccc(-c4nn[n-]n4)s3)sc2c1 ZINC000825716786 609264023 /nfs/dbraw/zinc/26/40/23/609264023.db2.gz AZYCRINVBHUBLM-UHFFFAOYSA-N -1 1 342.453 3.712 20 0 EHADMM O=C([O-])c1ccc(CNCc2cc(Br)ccc2F)s1 ZINC000236470738 949915347 /nfs/dbraw/zinc/91/53/47/949915347.db2.gz RDVFTXKFEQTTKA-UHFFFAOYSA-N -1 1 344.205 3.638 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC001589280286 953494930 /nfs/dbraw/zinc/49/49/30/953494930.db2.gz CBTUTOJVABOPSC-PSASIEDQSA-N -1 1 337.288 3.526 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC001589307779 953758352 /nfs/dbraw/zinc/75/83/52/953758352.db2.gz DCGKQNNDUJPNQS-UWVGGRQHSA-N -1 1 342.317 3.532 20 0 EHADMM C[C@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C[C@H]1C(=O)[O-] ZINC001589354673 954116267 /nfs/dbraw/zinc/11/62/67/954116267.db2.gz BXJSLBQZUODHAY-SMDDNHRTSA-N -1 1 334.803 3.538 20 0 EHADMM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cccc(Br)c1 ZINC000043601306 957439117 /nfs/dbraw/zinc/43/91/17/957439117.db2.gz NVTRPWRVULNYMK-INIZCTEOSA-N -1 1 346.224 3.633 20 0 EHADMM O=C([O-])c1cccc2nc(NC(=O)c3cc4ccccc4s3)[nH]c21 ZINC000168623566 959381877 /nfs/dbraw/zinc/38/18/77/959381877.db2.gz QLDJTTBZGDFTND-UHFFFAOYSA-N -1 1 337.360 3.728 20 0 EHADMM CC(C)CCN1Cc2cccc(NC(=O)C3(CC(=O)[O-])CCC3)c2C1 ZINC001588867766 962031012 /nfs/dbraw/zinc/03/10/12/962031012.db2.gz ANQCCWSUIYYMDU-UHFFFAOYSA-N -1 1 344.455 3.632 20 0 EHADMM O=C([O-])[C@H]1CN(Cc2cnc(-c3ccccc3)o2)Cc2ccccc21 ZINC001574661114 962488293 /nfs/dbraw/zinc/48/82/93/962488293.db2.gz FNRZPSJETDJBLL-SFHVURJKSA-N -1 1 334.375 3.526 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(F)ccc2Br)C1 ZINC000043585418 967526510 /nfs/dbraw/zinc/52/65/10/967526510.db2.gz CWIYFMLJEIFUCN-LLVKDONJSA-N -1 1 344.224 3.665 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(-c2ccccc2Cl)on1 ZINC001603390992 973006872 /nfs/dbraw/zinc/00/68/72/973006872.db2.gz FMKLNDOPLYWYTP-VXGBXAGGSA-N -1 1 334.803 3.680 20 0 EHADMM CCc1nc2c(s1)[C@H](N(C)Cc1csc(C(=O)[O-])c1)CCC2 ZINC000519706181 974333808 /nfs/dbraw/zinc/33/38/08/974333808.db2.gz PZEZMHNQZSTXJS-GFCCVEGCSA-N -1 1 336.482 3.975 20 0 EHADMM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000519709878 974333864 /nfs/dbraw/zinc/33/38/64/974333864.db2.gz NDTJUMFZMGRHIJ-CABCVRRESA-N -1 1 346.254 3.866 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)[nH]n2)cc1 ZINC000532595568 974375477 /nfs/dbraw/zinc/37/54/77/974375477.db2.gz BJOAEJXOEQYCOT-UHFFFAOYSA-N -1 1 335.363 3.644 20 0 EHADMM COc1cccc(-c2nc(CN3CCC[C@@](C)(C(=O)[O-])C3)cs2)c1 ZINC000566357197 974606684 /nfs/dbraw/zinc/60/66/84/974606684.db2.gz JYNQMCVVIALAKG-GOSISDBHSA-N -1 1 346.452 3.505 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2)[C@@H](C(=O)[O-])C1 ZINC000566367788 974611697 /nfs/dbraw/zinc/61/16/97/974611697.db2.gz RHRIEJHCVUVQJZ-NOZJJQNGSA-N -1 1 346.652 3.788 20 0 EHADMM Cc1oc(CN(C)C[C@@H](OC(C)C)c2ccccc2)cc1C(=O)[O-] ZINC000568758160 974677774 /nfs/dbraw/zinc/67/77/74/974677774.db2.gz ISYBRDYOVYRNKD-GOSISDBHSA-N -1 1 331.412 3.884 20 0 EHADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCCC(C)C)CC2 ZINC000571650003 974733215 /nfs/dbraw/zinc/73/32/15/974733215.db2.gz ZXVWEERBUGADIF-INIZCTEOSA-N -1 1 335.444 3.514 20 0 EHADMM COc1ccccc1-c1nc(CN2CCC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000572728433 974752445 /nfs/dbraw/zinc/75/24/45/974752445.db2.gz OMITXZIJAZJSSJ-GOSISDBHSA-N -1 1 346.452 3.505 20 0 EHADMM CCO[C@H](C)c1nc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000652498688 975561620 /nfs/dbraw/zinc/56/16/20/975561620.db2.gz PUZRUCCRJIGCNG-OLZOCXBDSA-N -1 1 340.489 3.563 20 0 EHADMM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1Cl ZINC001591775840 975920429 /nfs/dbraw/zinc/92/04/29/975920429.db2.gz YEXVLWFPCCMWAI-QGZVFWFLSA-N -1 1 349.814 3.748 20 0 EHADMM CC(C)Oc1ccccc1[C@@H](C)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001591795881 976002808 /nfs/dbraw/zinc/00/28/08/976002808.db2.gz RKUNITWSTRGUIR-UKRRQHHQSA-N -1 1 343.427 3.554 20 0 EHADMM CC(C)Oc1ccccc1CN[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001591801962 976020540 /nfs/dbraw/zinc/02/05/40/976020540.db2.gz YKTHKFDFPQWOTH-HNNXBMFYSA-N -1 1 343.423 3.788 20 0 EHADMM C[C@H](CN(Cc1ccccc1)Cc1cccc(O)c1Cl)C(=O)[O-] ZINC001592605153 978549839 /nfs/dbraw/zinc/54/98/39/978549839.db2.gz VEMSRRJVKOVXRY-CYBMUJFWSA-N -1 1 333.815 3.769 20 0 EHADMM C[C@H](C[N@H+](Cc1ccccc1)Cc1cccc([O-])c1Cl)C(=O)[O-] ZINC001592605153 978549842 /nfs/dbraw/zinc/54/98/42/978549842.db2.gz VEMSRRJVKOVXRY-CYBMUJFWSA-N -1 1 333.815 3.769 20 0 EHADMM C[C@H](C[N@@H+](Cc1ccccc1)Cc1cccc([O-])c1Cl)C(=O)[O-] ZINC001592605153 978549848 /nfs/dbraw/zinc/54/98/48/978549848.db2.gz VEMSRRJVKOVXRY-CYBMUJFWSA-N -1 1 333.815 3.769 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000830363832 979016864 /nfs/dbraw/zinc/01/68/64/979016864.db2.gz XUVCWOUXXQLHRP-CQSZACIVSA-N -1 1 349.452 3.783 20 0 EHADMM Cc1c(Cl)ccc2c1CN(CCOc1cccc(C(=O)[O-])c1)CC2 ZINC000872165620 980061257 /nfs/dbraw/zinc/06/12/57/980061257.db2.gz IPRBVDNYFXLHAS-UHFFFAOYSA-N -1 1 345.826 3.784 20 0 EHADMM COc1ccccc1[C@H]1CSCCCN1Cc1occc1C(=O)[O-] ZINC000872168037 980070029 /nfs/dbraw/zinc/07/00/29/980070029.db2.gz OEPTXQYCLTVRMR-OAHLLOKOSA-N -1 1 347.436 3.667 20 0 EHADMM C[C@H](N[C@H]1CCC[C@@H](CCCC(=O)[O-])C1)c1nc(C(C)(C)C)no1 ZINC000901464341 980298131 /nfs/dbraw/zinc/29/81/31/980298131.db2.gz HLLUIJHZASNMQG-IHRRRGAJSA-N -1 1 337.464 3.831 20 0 EHADMM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc(OC)c1OC ZINC001595276596 980301009 /nfs/dbraw/zinc/30/10/09/980301009.db2.gz JCLRMPUPLIDZPE-RDJZCZTQSA-N -1 1 347.386 3.710 20 0 EHADMM COc1cc(CN2CCC(CCC(=O)[O-])CC2)cc(C(F)(F)F)c1 ZINC000901496829 980316555 /nfs/dbraw/zinc/31/65/55/980316555.db2.gz ZUEIIXDSVBJWQC-UHFFFAOYSA-N -1 1 345.361 3.791 20 0 EHADMM O=C([O-])C[C@H]1CN(Cc2cccc(-c3ccc(Cl)cc3)c2)CCO1 ZINC000901504428 980325431 /nfs/dbraw/zinc/32/54/31/980325431.db2.gz YWIQQRKPMSXYHI-SFHVURJKSA-N -1 1 345.826 3.683 20 0 EHADMM C[C@H]1C[C@H]1c1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)o1 ZINC000901933186 980637581 /nfs/dbraw/zinc/63/75/81/980637581.db2.gz ZJVQLKLUIYHHJG-SMDDNHRTSA-N -1 1 346.452 3.937 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccccc1OC(F)F ZINC000902107904 980737957 /nfs/dbraw/zinc/73/79/57/980737957.db2.gz VUYBNJHNTXTXRV-SECBINFHSA-N -1 1 325.311 3.738 20 0 EHADMM Cc1cc(CN[C@H](C)c2cccc(OC(F)F)c2)oc1C(=O)[O-] ZINC000902113858 980741123 /nfs/dbraw/zinc/74/11/23/980741123.db2.gz UUKXBNTWQCYHHN-SNVBAGLBSA-N -1 1 325.311 3.738 20 0 EHADMM CCc1oc(CNCc2cccc(Br)c2)cc1C(=O)[O-] ZINC000902128051 980747385 /nfs/dbraw/zinc/74/73/85/980747385.db2.gz BGNHVSJKRHWKPL-UHFFFAOYSA-N -1 1 338.201 3.593 20 0 EHADMM CC(C)CC(=O)Nc1cccc(CNCc2csc(C(=O)[O-])c2)c1 ZINC000902163808 980763564 /nfs/dbraw/zinc/76/35/64/980763564.db2.gz BJWKDSDGIDLGCN-UHFFFAOYSA-N -1 1 346.452 3.721 20 0 EHADMM Cc1ccc2c(c1C)OC[C@H]2NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902220992 980788001 /nfs/dbraw/zinc/78/80/01/980788001.db2.gz BZVJSIFQUMXZES-MRXNPFEDSA-N -1 1 331.799 3.878 20 0 EHADMM CC[C@H](c1ccccc1OC)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001595364191 980791796 /nfs/dbraw/zinc/79/17/96/980791796.db2.gz PFWBDMNRJALSPN-FMQWLBJXSA-N -1 1 329.396 3.969 20 0 EHADMM C[C@H](NCc1cccc(C(=O)[O-])n1)c1ccc(OCC2CC2)c(F)c1 ZINC000902381609 980865150 /nfs/dbraw/zinc/86/51/50/980865150.db2.gz OSJAOBKGLAPZBB-LBPRGKRZSA-N -1 1 344.386 3.559 20 0 EHADMM O=C([O-])c1ccc(Br)c(CN2CCCC(F)(F)CC2)c1 ZINC000903911591 981034074 /nfs/dbraw/zinc/03/40/74/981034074.db2.gz KDIGFJJYXOVBRN-UHFFFAOYSA-N -1 1 348.187 3.769 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1csc(CCc2ccccc2)n1 ZINC000903938657 981056830 /nfs/dbraw/zinc/05/68/30/981056830.db2.gz BJSNGWSPACWCGM-GDBMZVCRSA-N -1 1 344.480 3.613 20 0 EHADMM Cc1ccc([C@H](NCc2ccc(C(F)(F)F)cn2)C(=O)[O-])cc1C ZINC000905381930 981103110 /nfs/dbraw/zinc/10/31/10/981103110.db2.gz SXNCHZCHEMSXIC-HNNXBMFYSA-N -1 1 338.329 3.633 20 0 EHADMM CC[C@@](C)(C(=O)[O-])N(Cc1ncc(-c2cccs2)o1)CC1CC1 ZINC001594791604 981852106 /nfs/dbraw/zinc/85/21/06/981852106.db2.gz NMLSHIDOOKCHBM-KRWDZBQOSA-N -1 1 334.441 3.868 20 0 EHADMM CCCCCC[C@](O)(CN[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001595702605 982264001 /nfs/dbraw/zinc/26/40/01/982264001.db2.gz JPXBPQXWBHYXPY-PXAZEXFGSA-N -1 1 345.842 3.916 20 0 EHADMM CCCN(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(C)cc1 ZINC001595846570 982775056 /nfs/dbraw/zinc/77/50/56/982775056.db2.gz WBAZYJRNINKVHU-UHFFFAOYSA-N -1 1 346.452 3.605 20 0 EHADMM O=C([O-])c1ccccc1CN1CCC(C(=O)c2cccs2)CC1 ZINC001118252872 982948662 /nfs/dbraw/zinc/94/86/62/982948662.db2.gz COZIQNZXXOCTMQ-UHFFFAOYSA-N -1 1 329.421 3.541 20 0 EHADMM O=S(=O)([N-]C(C1CCCCC1)C1CCCCC1)c1ccns1 ZINC001213513049 1014961655 /nfs/dbraw/zinc/96/16/55/1014961655.db2.gz YNMYEJLJSGLLGE-UHFFFAOYSA-N -1 1 342.530 3.951 20 0 EHADMM CCN(Cc1cc(OC)c(C(=O)[O-])cc1Br)C(C)(C)C ZINC001596355755 983821933 /nfs/dbraw/zinc/82/19/33/983821933.db2.gz CFGXVQHZSMESNJ-UHFFFAOYSA-N -1 1 344.249 3.776 20 0 EHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1OC(F)F ZINC001599901311 984834117 /nfs/dbraw/zinc/83/41/17/984834117.db2.gz IQUQRRAAZSKSQY-JTQLQIEISA-N -1 1 339.313 3.976 20 0 EHADMM CCOCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001596963931 986163405 /nfs/dbraw/zinc/16/34/05/986163405.db2.gz AGTMPXMNUIDZKK-QGZVFWFLSA-N -1 1 333.815 3.792 20 0 EHADMM CC[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc(C)c(F)c1 ZINC001597349465 987485831 /nfs/dbraw/zinc/48/58/31/987485831.db2.gz KGJHZRAFDCDRGO-INIZCTEOSA-N -1 1 344.386 3.512 20 0 EHADMM CCc1[nH]c(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC001597383908 987585853 /nfs/dbraw/zinc/58/58/53/987585853.db2.gz GWNRUCKKIRZMBL-SGTLLEGYSA-N -1 1 330.403 3.998 20 0 EHADMM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000153486332 1125501967 /nfs/dbraw/zinc/50/19/67/1125501967.db2.gz RGVXGQPYIXYAFR-UHFFFAOYSA-N -1 1 326.183 3.865 20 0 EHADMM CC(C)(C)N(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC001589796561 988196970 /nfs/dbraw/zinc/19/69/70/988196970.db2.gz STFSZIDYXZDWBZ-UHFFFAOYSA-N -1 1 346.452 3.686 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC001597767805 989226008 /nfs/dbraw/zinc/22/60/08/989226008.db2.gz WKAXIUMGGDXRSY-LLVKDONJSA-N -1 1 333.432 3.651 20 0 EHADMM COc1ccccc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cn1 ZINC001599705078 991280876 /nfs/dbraw/zinc/28/08/76/991280876.db2.gz WNKJDGLPVYOKLN-QGZVFWFLSA-N -1 1 326.396 3.516 20 0 EHADMM CC(C)CC1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CCCC1 ZINC001591191749 992004408 /nfs/dbraw/zinc/00/44/08/992004408.db2.gz FIVUDAFHVBDOTP-UHFFFAOYSA-N -1 1 329.400 3.806 20 0 EHADMM COCc1ncsc1C(=O)[N-]c1cc(Cl)ccc1SC ZINC000339803296 1015683249 /nfs/dbraw/zinc/68/32/49/1015683249.db2.gz ITNRMJUTOCNMFV-UHFFFAOYSA-N -1 1 328.846 3.917 20 0 EHADMM C[N@@H+](CCc1nccs1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598503721 992471607 /nfs/dbraw/zinc/47/16/07/992471607.db2.gz IGTGZLBAFIYLIS-CYBMUJFWSA-N -1 1 345.251 3.750 20 0 EHADMM CN(Cc1ccc(Br)s1)Cc1cc(C(=O)[O-])cs1 ZINC001598506563 992511171 /nfs/dbraw/zinc/51/11/71/992511171.db2.gz FPIXLHRKKOYAAA-UHFFFAOYSA-N -1 1 346.271 3.902 20 0 EHADMM CN(Cc1cc(F)ccc1OC(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598508736 992539313 /nfs/dbraw/zinc/53/93/13/992539313.db2.gz ZEWINPSRYQMFNS-OAHLLOKOSA-N -1 1 339.313 3.685 20 0 EHADMM CN(Cc1ccc(F)nc1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598519316 992659527 /nfs/dbraw/zinc/65/95/27/992659527.db2.gz OVZISVZXRCNMTI-AWEZNQCLSA-N -1 1 343.185 3.785 20 0 EHADMM COc1ccc(OC)c([C@H](C)NCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001599601742 993825413 /nfs/dbraw/zinc/82/54/13/993825413.db2.gz HQEQCJUUOOXIOZ-ZDUSSCGKSA-N -1 1 329.396 3.561 20 0 EHADMM COc1cccc([C@](C)(CC(=O)[O-])NCc2sccc2Cl)c1 ZINC001599656738 994592531 /nfs/dbraw/zinc/59/25/31/994592531.db2.gz VWANIOCKOHFFED-INIZCTEOSA-N -1 1 339.844 3.890 20 0 EHADMM C[C@](NCc1ccns1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593310111 994770387 /nfs/dbraw/zinc/77/03/87/994770387.db2.gz GOGGOVURUIGWFI-CYBMUJFWSA-N -1 1 331.224 3.540 20 0 EHADMM CNc1ccc(C)cc1CN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001598679179 994898683 /nfs/dbraw/zinc/89/86/83/994898683.db2.gz DHGLENDDVQLNOE-HNNXBMFYSA-N -1 1 345.468 3.837 20 0 EHADMM COc1cccc(OC)c1CN[C@H](C)c1ccc(C(=O)[O-])cc1C ZINC001599681748 994993461 /nfs/dbraw/zinc/99/34/61/994993461.db2.gz BVIPMQZGDMLQBO-CYBMUJFWSA-N -1 1 329.396 3.561 20 0 EHADMM C[C@@H](Oc1ccccc1CN1CCSC2(CCCCC2)C1)C(=O)[O-] ZINC001593646397 995984285 /nfs/dbraw/zinc/98/42/85/995984285.db2.gz QWRUCAJTENCYBL-OAHLLOKOSA-N -1 1 349.496 3.790 20 0 EHADMM C[C@H](Oc1ccccc1CNCc1ccc2occc2c1)C(=O)[O-] ZINC001593649079 996000582 /nfs/dbraw/zinc/00/05/82/996000582.db2.gz PTTBMFZTAKOWPY-ZDUSSCGKSA-N -1 1 325.364 3.575 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC001599498983 997075743 /nfs/dbraw/zinc/07/57/43/997075743.db2.gz NCPJVXKDCDKVQX-CJNGLKHVSA-N -1 1 329.396 3.960 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc[nH]c2C2CC2)c1 ZINC000340007673 1016117791 /nfs/dbraw/zinc/11/77/91/1016117791.db2.gz OMVMKMYWFCJBDM-UHFFFAOYSA-N -1 1 335.201 3.921 20 0 EHADMM COCCN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@@H](C)c1ccccc1 ZINC001599238451 997990751 /nfs/dbraw/zinc/99/07/51/997990751.db2.gz OBKKHAMVEJMFQA-WOLCWHLNSA-N -1 1 329.396 3.587 20 0 EHADMM COc1ccc(F)c(CN[C@@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001599581530 998539067 /nfs/dbraw/zinc/53/90/67/998539067.db2.gz RRPVDIMZWYZOET-GOSISDBHSA-N -1 1 329.371 3.700 20 0 EHADMM C[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC12CCCCC2 ZINC001594416084 999554609 /nfs/dbraw/zinc/55/46/09/999554609.db2.gz AGJHLWYBSJBCPI-OAHLLOKOSA-N -1 1 344.455 3.616 20 0 EHADMM Cc1cc(CN2CCC[C@@H](CC(=O)[O-])C2)sc1Br ZINC000570061002 1035019157 /nfs/dbraw/zinc/01/91/57/1035019157.db2.gz GEWBPYGBHQFJTA-JTQLQIEISA-N -1 1 332.263 3.506 20 0 EHADMM COc1cc(F)c(C(=O)[N-]c2nnc(C(F)F)s2)c(Cl)c1 ZINC001125325120 1016493924 /nfs/dbraw/zinc/49/39/24/1016493924.db2.gz WDPABHSUNMILIU-UHFFFAOYSA-N -1 1 337.710 3.529 20 0 EHADMM Cc1nc(C)c(C(=O)Nc2cc(C)cc(Br)c2[O-])s1 ZINC000182910587 1032150223 /nfs/dbraw/zinc/15/02/23/1032150223.db2.gz POSZSRKACAUQAE-UHFFFAOYSA-N -1 1 341.230 3.789 20 0 EHADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000179463261 1016871623 /nfs/dbraw/zinc/87/16/23/1016871623.db2.gz MTJVXHQSUNOOSV-JQWIXIFHSA-N -1 1 326.234 3.805 20 0 EHADMM CS[C@H]1CCCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180767520 1016906826 /nfs/dbraw/zinc/90/68/26/1016906826.db2.gz DIZIIWVFPSGQAF-NSHDSACASA-N -1 1 333.375 3.769 20 0 EHADMM CSCc1ccccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000184032037 1032228837 /nfs/dbraw/zinc/22/88/37/1032228837.db2.gz DJBFXCJIAFGNGV-UHFFFAOYSA-N -1 1 344.461 3.899 20 0 EHADMM COc1cc(-c2nc([C@H]3CCOC(C)(C)C3)no2)cc(Cl)c1[O-] ZINC000351189648 1032386460 /nfs/dbraw/zinc/38/64/60/1032386460.db2.gz OSADACUIHWGFKZ-VIFPVBQESA-N -1 1 338.791 3.777 20 0 EHADMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1(C)C ZINC000613668014 1017697263 /nfs/dbraw/zinc/69/72/63/1017697263.db2.gz NXVBANAOCVCVOJ-RHSMWYFYSA-N -1 1 325.412 3.959 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1cccc(Br)c1F ZINC000394755238 1017797359 /nfs/dbraw/zinc/79/73/59/1017797359.db2.gz ARIOPZAAHHIXEY-GFCCVEGCSA-N -1 1 344.224 3.808 20 0 EHADMM CCOc1cc(C(=O)NCCC2(CSC)CC2)cc(Cl)c1[O-] ZINC000597977519 1032810564 /nfs/dbraw/zinc/81/05/64/1032810564.db2.gz DVJHHUGNSHCJFD-UHFFFAOYSA-N -1 1 343.876 3.707 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c1 ZINC000580385386 1019238362 /nfs/dbraw/zinc/23/83/62/1019238362.db2.gz JUCONURQVYHJBC-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc(Cl)cc1 ZINC000055598513 1019271045 /nfs/dbraw/zinc/27/10/45/1019271045.db2.gz KLTHUYVJRXAXIJ-UHFFFAOYSA-N -1 1 333.743 3.742 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938265 1019334033 /nfs/dbraw/zinc/33/40/33/1019334033.db2.gz PDDUDSXGZCJACD-UHFFFAOYSA-N -1 1 349.427 3.862 20 0 EHADMM COC(=O)[C@H](CC1CCCCC1)NCc1cccc([O-])c1Cl ZINC000513236177 1019462330 /nfs/dbraw/zinc/46/23/30/1019462330.db2.gz IYHGRXNJJMEACU-AWEZNQCLSA-N -1 1 325.836 3.647 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c1 ZINC000513391681 1019601690 /nfs/dbraw/zinc/60/16/90/1019601690.db2.gz ZDQAYWAATIIZCF-UHFFFAOYSA-N -1 1 327.352 3.706 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1 ZINC000340765363 1019956507 /nfs/dbraw/zinc/95/65/07/1019956507.db2.gz BLJGJIPAZALHLA-UHFFFAOYSA-N -1 1 337.466 3.664 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1Br ZINC000263461957 1020397244 /nfs/dbraw/zinc/39/72/44/1020397244.db2.gz BYHNWWPHOIUCHQ-GXSJLCMTSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1Br ZINC000263461974 1020397846 /nfs/dbraw/zinc/39/78/46/1020397846.db2.gz BYHNWWPHOIUCHQ-ONGXEEELSA-N -1 1 346.652 3.788 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCn2cncc2C1 ZINC001167445447 1020420250 /nfs/dbraw/zinc/42/02/50/1020420250.db2.gz XVLGGTGHBZYHTI-LLVKDONJSA-N -1 1 341.798 3.596 20 0 EHADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)ccc12 ZINC000340959501 1020681705 /nfs/dbraw/zinc/68/17/05/1020681705.db2.gz HHGCJQKYUZEOOX-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)ccc12 ZINC000340959501 1020681721 /nfs/dbraw/zinc/68/17/21/1020681721.db2.gz HHGCJQKYUZEOOX-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM C[C@H]1CCN(C(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)C1 ZINC000430605848 1020941822 /nfs/dbraw/zinc/94/18/22/1020941822.db2.gz UQWDSMWPKWKWIC-AWEZNQCLSA-N -1 1 348.402 3.802 20 0 EHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000341058864 1020944215 /nfs/dbraw/zinc/94/42/15/1020944215.db2.gz FISBWZBCXVPPRT-SNAWJCMRSA-N -1 1 344.436 3.787 20 0 EHADMM Cc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)co1 ZINC000684336079 1021148695 /nfs/dbraw/zinc/14/86/95/1021148695.db2.gz VIZRQLZNFDMWBL-UHFFFAOYSA-N -1 1 338.751 3.546 20 0 EHADMM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000656737305 1021230269 /nfs/dbraw/zinc/23/02/69/1021230269.db2.gz ACZCANBBXHMLGA-UHFFFAOYSA-N -1 1 342.823 3.687 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(CCCn2ccnc2)CC1 ZINC000436802104 1021245885 /nfs/dbraw/zinc/24/58/85/1021245885.db2.gz GTBSPQJYMQTLQO-UHFFFAOYSA-N -1 1 347.846 3.575 20 0 EHADMM Cc1cccc2[nH]cc(CCNC(=O)c3cc(Cl)ccc3[O-])c21 ZINC000436809616 1021255861 /nfs/dbraw/zinc/25/58/61/1021255861.db2.gz UOUANIBMLCSZCB-UHFFFAOYSA-N -1 1 328.799 3.808 20 0 EHADMM O=C(NCCn1ccc2cc(Cl)ccc21)c1ccc([O-])cc1F ZINC000436831108 1021262020 /nfs/dbraw/zinc/26/20/20/1021262020.db2.gz WXYCWBFLIDVLCY-UHFFFAOYSA-N -1 1 332.762 3.569 20 0 EHADMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000436838570 1021281629 /nfs/dbraw/zinc/28/16/29/1021281629.db2.gz JJZGVOMEJGTPTB-JKSUJKDBSA-N -1 1 327.424 3.869 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc(-c4nc[nH]n4)cc3)n2)c(Cl)c1 ZINC000436868650 1021308375 /nfs/dbraw/zinc/30/83/75/1021308375.db2.gz BESZYIQUQRYUSO-UHFFFAOYSA-N -1 1 339.742 3.548 20 0 EHADMM CCSc1nccnc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436871820 1021313401 /nfs/dbraw/zinc/31/34/01/1021313401.db2.gz LGKJDBVONOYPAX-UHFFFAOYSA-N -1 1 334.788 3.665 20 0 EHADMM Cn1cc(-c2nc(-c3ccc([O-])cc3F)no2)c2cc(F)ccc21 ZINC000436876320 1021320041 /nfs/dbraw/zinc/32/00/41/1021320041.db2.gz YGAYKSJLQHWOMW-UHFFFAOYSA-N -1 1 327.290 3.879 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000436894884 1021324970 /nfs/dbraw/zinc/32/49/70/1021324970.db2.gz VFIXMYZIQKEPCV-UHFFFAOYSA-N -1 1 327.315 3.515 20 0 EHADMM O=C(NCc1nc(-c2cccs2)c[nH]1)c1ccc2ccccc2c1[O-] ZINC000436882794 1021333936 /nfs/dbraw/zinc/33/39/36/1021333936.db2.gz WGDKRXLZEKGMNQ-UHFFFAOYSA-N -1 1 349.415 3.927 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000436888446 1021340628 /nfs/dbraw/zinc/34/06/28/1021340628.db2.gz SCVCYWJMSXSSBH-UHFFFAOYSA-N -1 1 329.743 3.721 20 0 EHADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@H]1CCC(C)(C)C1 ZINC000436910836 1021356995 /nfs/dbraw/zinc/35/69/95/1021356995.db2.gz DSDBDLFJYWOMBR-NSHDSACASA-N -1 1 326.234 3.805 20 0 EHADMM CCc1oc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1C ZINC000436917269 1021370046 /nfs/dbraw/zinc/37/00/46/1021370046.db2.gz XBGDMCYKZIVDMT-UHFFFAOYSA-N -1 1 346.774 3.547 20 0 EHADMM CCc1oc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1C ZINC000436917269 1021370060 /nfs/dbraw/zinc/37/00/60/1021370060.db2.gz XBGDMCYKZIVDMT-UHFFFAOYSA-N -1 1 346.774 3.547 20 0 EHADMM CC(C)(C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C1CCCC1 ZINC000436918375 1021375230 /nfs/dbraw/zinc/37/52/30/1021375230.db2.gz HOCGFGGXVVEYSD-UHFFFAOYSA-N -1 1 348.834 3.986 20 0 EHADMM CC(C)(C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C1CCCC1 ZINC000436918375 1021375248 /nfs/dbraw/zinc/37/52/48/1021375248.db2.gz HOCGFGGXVVEYSD-UHFFFAOYSA-N -1 1 348.834 3.986 20 0 EHADMM COc1ccc(-c2nc(-c3ccc(CSC)cc3)no2)c([O-])c1 ZINC000436918549 1021375479 /nfs/dbraw/zinc/37/54/79/1021375479.db2.gz IYLRLBQUVDMHQF-UHFFFAOYSA-N -1 1 328.393 3.981 20 0 EHADMM COc1ccc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)c([O-])c1 ZINC000436925587 1021385474 /nfs/dbraw/zinc/38/54/74/1021385474.db2.gz CGUXPEAJUZXGKD-UHFFFAOYSA-N -1 1 346.346 3.575 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c([O-])c1 ZINC000436933284 1021393481 /nfs/dbraw/zinc/39/34/81/1021393481.db2.gz PVCICMCRWORUER-UHFFFAOYSA-N -1 1 330.409 3.743 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)c(Cl)cc1F ZINC000507609430 1021395119 /nfs/dbraw/zinc/39/51/19/1021395119.db2.gz ZCJARNMPNDGIRU-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2)cc1 ZINC000107493041 1032977330 /nfs/dbraw/zinc/97/73/30/1032977330.db2.gz KCRPHBZJVAPBAX-UHFFFAOYSA-N -1 1 334.441 3.579 20 0 EHADMM CCOC(=O)Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436958112 1021421803 /nfs/dbraw/zinc/42/18/03/1021421803.db2.gz ZIOOMTSBSRIWHW-UHFFFAOYSA-N -1 1 349.386 3.903 20 0 EHADMM Cc1ccc2c(c1)CCN(C(=O)c1cc(Br)ccc1[O-])C2 ZINC000436993947 1021449473 /nfs/dbraw/zinc/44/94/73/1021449473.db2.gz JGJXKJYZOKOZNZ-UHFFFAOYSA-N -1 1 346.224 3.662 20 0 EHADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(-c2ccccc2)cc1F ZINC000607103950 1032986068 /nfs/dbraw/zinc/98/60/68/1032986068.db2.gz SVDCMKAKIXITIQ-MRXNPFEDSA-N -1 1 349.427 3.804 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1F)c1csc2ccccc21 ZINC000506656052 1021658578 /nfs/dbraw/zinc/65/85/78/1021658578.db2.gz WVYOFXXSAOZUSH-UHFFFAOYSA-N -1 1 325.361 3.980 20 0 EHADMM Cn1c(NC(=O)c2cc3ccccc3cc2[O-])nc2cc(F)ccc21 ZINC000440734026 1021733003 /nfs/dbraw/zinc/73/30/03/1021733003.db2.gz SGXQYYQNLUVWPX-UHFFFAOYSA-N -1 1 335.338 3.824 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1-c1ncco1 ZINC000164675078 1021831231 /nfs/dbraw/zinc/83/12/31/1021831231.db2.gz FURFZJIIFDNWNO-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM COc1cccc([C@H](C)Cc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445464860 1033013082 /nfs/dbraw/zinc/01/30/82/1033013082.db2.gz VTSYJDUWRKBADL-LLVKDONJSA-N -1 1 328.343 3.936 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)ccc1F ZINC000439990537 1021884055 /nfs/dbraw/zinc/88/40/55/1021884055.db2.gz UZYFYWQYLGJYBZ-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM O=C(CC[C@H]1CCCO1)Nc1c([O-])cc(Br)cc1Cl ZINC000516986528 1021923498 /nfs/dbraw/zinc/92/34/98/1021923498.db2.gz ODWSDJBIBOMCDD-SECBINFHSA-N -1 1 348.624 3.706 20 0 EHADMM CCc1nc(SCC(=O)c2ccc(Cl)s2)[n-]c(=O)c1C ZINC000517042315 1021977337 /nfs/dbraw/zinc/97/73/37/1021977337.db2.gz QXZVITLISGWZTP-UHFFFAOYSA-N -1 1 328.846 3.743 20 0 EHADMM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000437694537 1022061541 /nfs/dbraw/zinc/06/15/41/1022061541.db2.gz NHETTXPVJGYKNP-ZETCQYMHSA-N -1 1 348.342 3.865 20 0 EHADMM CO[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000440340869 1022112446 /nfs/dbraw/zinc/11/24/46/1022112446.db2.gz LIOQDTWEIYLNOS-HNNXBMFYSA-N -1 1 340.206 3.817 20 0 EHADMM O=C(CCCCCc1ccc(F)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000426642787 1022126293 /nfs/dbraw/zinc/12/62/93/1022126293.db2.gz LEWQMIJEWUXQSD-UHFFFAOYSA-N -1 1 344.312 3.704 20 0 EHADMM CCCCc1noc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)n1 ZINC000022611067 1022155140 /nfs/dbraw/zinc/15/51/40/1022155140.db2.gz YSJHHXFUTOAJCN-UHFFFAOYSA-N -1 1 342.424 3.867 20 0 EHADMM Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000112496746 1022257735 /nfs/dbraw/zinc/25/77/35/1022257735.db2.gz NVPKLDOEHSPROC-UHFFFAOYSA-N -1 1 334.441 3.616 20 0 EHADMM CCc1nc(CNCc2c(C)cc(Cl)cc2C)ccc1C(=O)[O-] ZINC000426660337 1022481695 /nfs/dbraw/zinc/48/16/95/1022481695.db2.gz NPBVPXDBJMSECH-UHFFFAOYSA-N -1 1 332.831 3.902 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(C)(C)C)cc2O)c1 ZINC000506243448 1022694434 /nfs/dbraw/zinc/69/44/34/1022694434.db2.gz LIPHXTCMTHWNCQ-UHFFFAOYSA-N -1 1 342.395 3.606 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cccc(Cl)c1 ZINC000126820187 1022854279 /nfs/dbraw/zinc/85/42/79/1022854279.db2.gz WOFDSYIRGSDLPI-UHFFFAOYSA-N -1 1 325.821 3.522 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000050273143 1022894634 /nfs/dbraw/zinc/89/46/34/1022894634.db2.gz WWVDPGMRVAWVMA-CYBMUJFWSA-N -1 1 346.224 3.784 20 0 EHADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccccc1 ZINC000476276055 1033091286 /nfs/dbraw/zinc/09/12/86/1033091286.db2.gz SPHFVCKYQIXENF-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000607331432 1033088659 /nfs/dbraw/zinc/08/86/59/1033088659.db2.gz HTSBMZJBGPPORK-UHFFFAOYSA-N -1 1 341.354 3.784 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(OC(F)(F)F)c1)c1ccccc1F ZINC000426797869 1023054225 /nfs/dbraw/zinc/05/42/25/1023054225.db2.gz HEPNLXSIXOPNLD-CQSZACIVSA-N -1 1 343.276 3.640 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(-c3ccncc3)c2)o1 ZINC000426803712 1023057381 /nfs/dbraw/zinc/05/73/81/1023057381.db2.gz OSIWDTLXOGJUPS-SFHVURJKSA-N -1 1 336.391 3.956 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000092429862 1023389385 /nfs/dbraw/zinc/38/93/85/1023389385.db2.gz XEGBTLBEYZDFNP-GOEBONIOSA-N -1 1 333.403 3.675 20 0 EHADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(C(F)(F)F)cc1 ZINC000508449098 1024093861 /nfs/dbraw/zinc/09/38/61/1024093861.db2.gz JNKHCTBOPITLIW-UHFFFAOYSA-N -1 1 340.326 3.988 20 0 EHADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000093908289 1024099571 /nfs/dbraw/zinc/09/95/71/1024099571.db2.gz LSRNJVIOWRYYIM-MRXNPFEDSA-N -1 1 345.370 3.526 20 0 EHADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)C(F)(F)F ZINC000443930969 1024136966 /nfs/dbraw/zinc/13/69/66/1024136966.db2.gz UPFQQIMMGAJREB-LDYMZIIASA-N -1 1 329.771 3.595 20 0 EHADMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(OC)c1 ZINC000277240450 1024294084 /nfs/dbraw/zinc/29/40/84/1024294084.db2.gz JEJBCHCZXDAUIQ-INIZCTEOSA-N -1 1 349.814 3.663 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCCOCc2ccccc2)[n-]1 ZINC000657249317 1024310759 /nfs/dbraw/zinc/31/07/59/1024310759.db2.gz KBSNREAUINFPHR-UHFFFAOYSA-N -1 1 330.331 3.510 20 0 EHADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(F)c(Cl)c1 ZINC000119543444 1024444952 /nfs/dbraw/zinc/44/49/52/1024444952.db2.gz TWVWNOIIUHMSOG-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM CC(C)(C)c1csc(CCNC(=O)c2c([O-])cccc2Cl)n1 ZINC000729541992 1024545916 /nfs/dbraw/zinc/54/59/16/1024545916.db2.gz QDNCDVOKPSJDKF-UHFFFAOYSA-N -1 1 338.860 3.772 20 0 EHADMM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cncc([O-])c1 ZINC000346382859 1024673457 /nfs/dbraw/zinc/67/34/57/1024673457.db2.gz PWKYJRIDSTTYHB-UHFFFAOYSA-N -1 1 336.313 3.615 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1[nH]nc(C)c1-c1ccccc1 ZINC000548608317 1024677582 /nfs/dbraw/zinc/67/75/82/1024677582.db2.gz BJPJKRWBMMFMNV-UHFFFAOYSA-N -1 1 341.436 3.748 20 0 EHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c1C ZINC000435192451 1024689671 /nfs/dbraw/zinc/68/96/71/1024689671.db2.gz QULPJDXCHASZDP-UHFFFAOYSA-N -1 1 343.452 3.608 20 0 EHADMM Cc1ccc(CS(=O)(=O)[N-]C2(C(F)F)CCCCC2)c(F)c1 ZINC000508098053 1024896166 /nfs/dbraw/zinc/89/61/66/1024896166.db2.gz VQFYKODXVPGJCX-UHFFFAOYSA-N -1 1 335.391 3.522 20 0 EHADMM COc1ccc(F)cc1-c1csc(NC(=O)c2ccccc2[O-])n1 ZINC000097335388 1025080194 /nfs/dbraw/zinc/08/01/94/1025080194.db2.gz LOJKQAQSQHXBFI-UHFFFAOYSA-N -1 1 344.367 3.916 20 0 EHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192622009 1025245213 /nfs/dbraw/zinc/24/52/13/1025245213.db2.gz KGAMUJHIAOMLNN-UHFFFAOYSA-N -1 1 335.400 3.648 20 0 EHADMM CC(C)c1noc(=NC[C@H](c2cccc(Cl)c2)N2CCCC2)[n-]1 ZINC000346871724 1025267240 /nfs/dbraw/zinc/26/72/40/1025267240.db2.gz PMMCNMLFTQHBCY-OAHLLOKOSA-N -1 1 334.851 3.517 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CCC1 ZINC000684763488 1025367614 /nfs/dbraw/zinc/36/76/14/1025367614.db2.gz QAGMIOFSVICWAB-ZETCQYMHSA-N -1 1 326.220 3.599 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000515621379 1025417943 /nfs/dbraw/zinc/41/79/43/1025417943.db2.gz 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COc1cc(-c2noc([C@H](C)SC)n2)cc(Br)c1[O-] ZINC000445397751 1028297123 /nfs/dbraw/zinc/29/71/23/1028297123.db2.gz LSHIOBOQACPRJE-LURJTMIESA-N -1 1 345.218 3.637 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cncc4ccccc43)[nH][n-]2)c1 ZINC000444811639 1028315025 /nfs/dbraw/zinc/31/50/25/1028315025.db2.gz IUFDNBSIUPSBPR-UHFFFAOYSA-N -1 1 346.365 3.747 20 0 EHADMM COc1cc(C(=O)Nc2ccc(-c3cnco3)cc2)cc(Cl)c1[O-] ZINC000153612635 1028344630 /nfs/dbraw/zinc/34/46/30/1028344630.db2.gz AALSJYGNWHDUAZ-UHFFFAOYSA-N -1 1 344.754 3.962 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)c1 ZINC000614863622 1028359757 /nfs/dbraw/zinc/35/97/57/1028359757.db2.gz LPDURXLFOPSLFW-UHFFFAOYSA-N -1 1 335.425 3.593 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC=C(c2ccc(O)cc2)CC1 ZINC000193640607 1028455203 /nfs/dbraw/zinc/45/52/03/1028455203.db2.gz PIKWHDGAUDLGGZ-UHFFFAOYSA-N -1 1 329.783 3.681 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cc(F)c(F)cc1F ZINC000105589763 1028558582 /nfs/dbraw/zinc/55/85/82/1028558582.db2.gz 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O=S(=O)([N-]c1c(O)cccc1Cl)c1ccc(Cl)cc1F ZINC000647919024 1029247414 /nfs/dbraw/zinc/24/74/14/1029247414.db2.gz ISTQRZHIFLTLQP-UHFFFAOYSA-N -1 1 336.171 3.639 20 0 EHADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000272450356 1029464348 /nfs/dbraw/zinc/46/43/48/1029464348.db2.gz VUQKWMLNTMVSMB-UHFFFAOYSA-N -1 1 343.399 3.690 20 0 EHADMM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(F)cc1[O-] ZINC000533222291 1029489339 /nfs/dbraw/zinc/48/93/39/1029489339.db2.gz NIYPAYFLIMZUGR-UHFFFAOYSA-N -1 1 343.276 3.654 20 0 EHADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1 ZINC000080053714 1029581584 /nfs/dbraw/zinc/58/15/84/1029581584.db2.gz SGQLHWVLMWQLNW-UHFFFAOYSA-N -1 1 333.453 3.976 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(F)cc1Br ZINC000050924566 1029611754 /nfs/dbraw/zinc/61/17/54/1029611754.db2.gz YTLINDCGURKYNN-CYBMUJFWSA-N -1 1 344.224 3.808 20 0 EHADMM [O-]c1cccnc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000583407492 1029776436 /nfs/dbraw/zinc/77/64/36/1029776436.db2.gz FRQMDMLDECMOLN-INIZCTEOSA-N -1 1 339.222 3.668 20 0 EHADMM C[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1c(F)cccc1F ZINC000343217966 1029786974 /nfs/dbraw/zinc/78/69/74/1029786974.db2.gz PXSMLIGUHDEXNW-VIFPVBQESA-N -1 1 333.363 3.581 20 0 EHADMM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000162642125 1029825733 /nfs/dbraw/zinc/82/57/33/1029825733.db2.gz RLYCFKSWDIUCLP-CQSZACIVSA-N -1 1 349.228 3.773 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1F ZINC000481849636 1030031546 /nfs/dbraw/zinc/03/15/46/1030031546.db2.gz SAZXBXZAGCHUEF-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000348770747 1030151598 /nfs/dbraw/zinc/15/15/98/1030151598.db2.gz FRAIQLCMPNQOGG-SECBINFHSA-N -1 1 334.832 3.743 20 0 EHADMM CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1F ZINC000532012778 1030270726 /nfs/dbraw/zinc/27/07/26/1030270726.db2.gz DJNINKDSRWNXEP-UHFFFAOYSA-N -1 1 348.349 3.907 20 0 EHADMM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc(F)ccc1[O-] ZINC000447712260 1030447681 /nfs/dbraw/zinc/44/76/81/1030447681.db2.gz DSOYVOHUKBVGOX-CYBMUJFWSA-N -1 1 331.240 3.546 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cnc(Cc2ccc(F)cc2)s1 ZINC000532267194 1030514787 /nfs/dbraw/zinc/51/47/87/1030514787.db2.gz PQHGFINUTNJQTC-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM O=C(Nc1ccsc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000157416449 1030522467 /nfs/dbraw/zinc/52/24/67/1030522467.db2.gz GNAFORDEXLNDQT-UHFFFAOYSA-N -1 1 330.409 3.581 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157531324 1030606659 /nfs/dbraw/zinc/60/66/59/1030606659.db2.gz IIJOIZLDEOPIMI-UHFFFAOYSA-N -1 1 333.356 3.627 20 0 EHADMM O=S(=O)(CCc1ccccc1)[N-]c1ncccc1-c1ccccc1 ZINC000536126136 1030729681 /nfs/dbraw/zinc/72/96/81/1030729681.db2.gz SVOGDJQDQRRZNY-UHFFFAOYSA-N -1 1 338.432 3.733 20 0 EHADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n[nH]1 ZINC001299909719 1030841333 /nfs/dbraw/zinc/84/13/33/1030841333.db2.gz CTYFZSYZRZKWCF-XCBNKYQSSA-N -1 1 325.290 3.510 20 0 EHADMM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000477003210 1031169572 /nfs/dbraw/zinc/16/95/72/1031169572.db2.gz JRBDVCBFBIZLPF-UHFFFAOYSA-N -1 1 339.407 3.573 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000314997157 1031248458 /nfs/dbraw/zinc/24/84/58/1031248458.db2.gz CVKBZAARPVVQHX-LBPRGKRZSA-N -1 1 346.254 3.949 20 0 EHADMM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cccc(Cl)c2Br)C1 ZINC000904035182 1031643709 /nfs/dbraw/zinc/64/37/09/1031643709.db2.gz HCQJZSYQNNYUDQ-MWLCHTKSSA-N -1 1 344.636 3.612 20 0 EHADMM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)cc1F ZINC000904045107 1031663881 /nfs/dbraw/zinc/66/38/81/1031663881.db2.gz GVEQTKNJVJFNBF-INIZCTEOSA-N -1 1 335.350 3.669 20 0 EHADMM C[C@@]1(Br)C[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000528166486 1031827198 /nfs/dbraw/zinc/82/71/98/1031827198.db2.gz GYJDUOBQYUMBGZ-PRHODGIISA-N -1 1 329.581 3.737 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ccn1 ZINC000460611404 1031904660 /nfs/dbraw/zinc/90/46/60/1031904660.db2.gz JWWDMDBOASUJKE-UHFFFAOYSA-N -1 1 340.404 3.558 20 0 EHADMM Nc1c(C(=O)Nc2cc(F)cc(F)c2[O-])cccc1C(F)(F)F ZINC001142545659 1033393475 /nfs/dbraw/zinc/39/34/75/1033393475.db2.gz GMYNBPVDONSWJL-UHFFFAOYSA-N -1 1 332.228 3.524 20 0 EHADMM O=S(=O)([N-]c1c(O)cccc1F)c1cc(Cl)cc(Cl)c1 ZINC000608004185 1033435388 /nfs/dbraw/zinc/43/53/88/1033435388.db2.gz CCCBHENBJLYTTM-UHFFFAOYSA-N -1 1 336.171 3.639 20 0 EHADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(Br)cc2[O-])C1 ZINC000044490963 1033497618 /nfs/dbraw/zinc/49/76/18/1033497618.db2.gz LDXMGLSOLIPCKN-CMPLNLGQSA-N -1 1 326.234 3.805 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000608343074 1033621131 /nfs/dbraw/zinc/62/11/31/1033621131.db2.gz BZPIOPZXOKYPSY-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM CCOCc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780382582 1033702931 /nfs/dbraw/zinc/70/29/31/1033702931.db2.gz IVIBWSJKKSFSGB-UHFFFAOYSA-N -1 1 341.379 3.962 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CCSC2(CCCCC2)C1 ZINC000612054139 1033940491 /nfs/dbraw/zinc/94/04/91/1033940491.db2.gz MBQBWCCUAGRIAJ-UHFFFAOYSA-N -1 1 342.464 3.832 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000055638371 1033990388 /nfs/dbraw/zinc/99/03/88/1033990388.db2.gz ANQACCQOWGIUCA-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1CCCC1(C)C ZINC000529567001 1034220542 /nfs/dbraw/zinc/22/05/42/1034220542.db2.gz SEBSXUXIKGLSTJ-ZDUSSCGKSA-N -1 1 333.476 3.734 20 0 EHADMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601366351 1034470239 /nfs/dbraw/zinc/47/02/39/1034470239.db2.gz HWHQUWUBCOKYEZ-KOLCDFICSA-N -1 1 339.429 3.560 20 0 EHADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000685743244 1034475806 /nfs/dbraw/zinc/47/58/06/1034475806.db2.gz SANFXIXJJHOYHU-NSHDSACASA-N -1 1 334.778 3.650 20 0 EHADMM COc1cccc([C@@H]2CN(C(=O)c3ccc([O-])cc3F)CC2(C)C)c1 ZINC000529726137 1034514899 /nfs/dbraw/zinc/51/48/99/1034514899.db2.gz BLDNHZKWXCHYRI-KRWDZBQOSA-N -1 1 343.398 3.806 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456692873 1034660002 /nfs/dbraw/zinc/66/00/02/1034660002.db2.gz LUYRGHVESJHSHC-MRXNPFEDSA-N -1 1 339.370 3.775 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000062126653 1034712170 /nfs/dbraw/zinc/71/21/70/1034712170.db2.gz VPBXUSVDGLUCNE-UHFFFAOYSA-N -1 1 347.436 3.817 20 0 EHADMM CCCc1c(C(=O)Nc2ccc([O-])c(F)c2F)[nH]c(C)c1C(C)=O ZINC000456797095 1034718650 /nfs/dbraw/zinc/71/86/50/1034718650.db2.gz YYWCPDWSEJZFKG-UHFFFAOYSA-N -1 1 336.338 3.714 20 0 EHADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc([O-])c(F)c2F)c1C(C)C ZINC000456779908 1034724457 /nfs/dbraw/zinc/72/44/57/1034724457.db2.gz ICWUKNUEDOQFMX-UHFFFAOYSA-N -1 1 336.338 3.885 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2c([O-])cccc2F)cc1OC ZINC000605440343 1034736729 /nfs/dbraw/zinc/73/67/29/1034736729.db2.gz PFLINRFEBFMYGC-UHFFFAOYSA-N -1 1 333.359 3.971 20 0 EHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000605492562 1034768060 /nfs/dbraw/zinc/76/80/60/1034768060.db2.gz NSCGECRTEUEBGS-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM Cc1oc([C@@H](C)N2CCC[C@@H](c3noc(C(C)C)n3)C2)cc1C(=O)[O-] ZINC000515067288 1034806888 /nfs/dbraw/zinc/80/68/88/1034806888.db2.gz BMXQZMQCBHHYGU-DGCLKSJQSA-N -1 1 347.415 3.733 20 0 EHADMM CCN(Cc1cnc(C(=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000530161950 1035031465 /nfs/dbraw/zinc/03/14/65/1035031465.db2.gz KZFDEYIQNNOZIN-GFCCVEGCSA-N -1 1 325.368 3.504 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC000530179583 1035050902 /nfs/dbraw/zinc/05/09/02/1035050902.db2.gz MRNJMZQKDUARRW-GHMZBOCLSA-N -1 1 334.441 3.785 20 0 EHADMM O=C1Nc2ccc(F)cc2/C1=C/c1ccc([O-])c(Br)c1 ZINC000255871245 1035218403 /nfs/dbraw/zinc/21/84/03/1035218403.db2.gz KKBJTVWRQNQEHV-WZUFQYTHSA-N -1 1 334.144 3.787 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000457013830 1035614828 /nfs/dbraw/zinc/61/48/28/1035614828.db2.gz UGBAKAUYGTZJPI-DYEKYZERSA-N -1 1 333.476 3.733 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccccc2Cl)n[nH]c1-c1ccccc1 ZINC000534800131 1035629792 /nfs/dbraw/zinc/62/97/92/1035629792.db2.gz UMSBJUOHWIKSJI-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc3[nH]cnc32)cc(Cl)c1[O-] ZINC000186819095 1035709694 /nfs/dbraw/zinc/70/96/94/1035709694.db2.gz QNOMWBSTLJJPEY-UHFFFAOYSA-N -1 1 331.759 3.573 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(Cl)c1 ZINC000571798690 1035759387 /nfs/dbraw/zinc/75/93/87/1035759387.db2.gz WSCXCSDYSQEHDQ-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)[C@H](C)C1 ZINC000300409542 1035774401 /nfs/dbraw/zinc/77/44/01/1035774401.db2.gz DUNOTZLVLFRREA-GIPNMCIBSA-N -1 1 326.234 3.709 20 0 EHADMM CC[C@@H](c1nnc([N-]C(=O)c2coc(C)n2)s1)c1ccccc1 ZINC000669949930 1035820670 /nfs/dbraw/zinc/82/06/70/1035820670.db2.gz RXAXUSAZFXMZSY-GFCCVEGCSA-N -1 1 328.397 3.629 20 0 EHADMM CN(Cc1cccc([O-])c1Cl)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000508644469 1035984590 /nfs/dbraw/zinc/98/45/90/1035984590.db2.gz DLIIKJXJRXUGBN-MRXNPFEDSA-N -1 1 344.842 3.673 20 0 EHADMM C[C@@H]1[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCN1c1ccccc1 ZINC000572108881 1035999402 /nfs/dbraw/zinc/99/94/02/1035999402.db2.gz JAHWTJAMYXEJFJ-IUODEOHRSA-N -1 1 339.370 3.964 20 0 EHADMM CCCOc1ccc(Cl)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000176125162 1036568598 /nfs/dbraw/zinc/56/85/98/1036568598.db2.gz AHQAHZBKFADKCS-UHFFFAOYSA-N -1 1 348.712 3.518 20 0 EHADMM CS[C@@H]1CCCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000161781066 1036667829 /nfs/dbraw/zinc/66/78/29/1036667829.db2.gz PVJCFCGUKYDJFA-LLVKDONJSA-N -1 1 344.274 3.512 20 0 EHADMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000589938615 1036686463 /nfs/dbraw/zinc/68/64/63/1036686463.db2.gz PHXJWBVWIMVGOM-UHFFFAOYSA-N -1 1 347.436 3.552 20 0 EHADMM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(F)cc1[O-] ZINC000462237080 1036718344 /nfs/dbraw/zinc/71/83/44/1036718344.db2.gz JFBGQJHZBWBAIM-UHFFFAOYSA-N -1 1 333.750 3.647 20 0 EHADMM Cc1nc(SCC(=O)c2cccc(C(F)(F)F)c2)[n-]c(=O)c1C ZINC000539617200 1036984582 /nfs/dbraw/zinc/98/45/82/1036984582.db2.gz OURFZVKJXPDHDH-UHFFFAOYSA-N -1 1 342.342 3.793 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)ccc1F ZINC000105591057 1037218657 /nfs/dbraw/zinc/21/86/57/1037218657.db2.gz RMDAJWAPDWFGDN-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000539964486 1037417585 /nfs/dbraw/zinc/41/75/85/1037417585.db2.gz PELXJNGLFUFILS-UHFFFAOYSA-N -1 1 331.343 3.739 20 0 EHADMM CCOc1cc(C(=O)NCC2(C)CC(F)(F)C2)cc(Cl)c1[O-] ZINC000914360629 1037720554 /nfs/dbraw/zinc/72/05/54/1037720554.db2.gz SPSKWYOVKSMDRD-UHFFFAOYSA-N -1 1 333.762 3.610 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000172886634 1037722353 /nfs/dbraw/zinc/72/23/53/1037722353.db2.gz MBEQRYFVSZXBFL-UHFFFAOYSA-N -1 1 327.409 3.554 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)cc1 ZINC000461346274 1038340736 /nfs/dbraw/zinc/34/07/36/1038340736.db2.gz XNIUVEOYRRUZGQ-UHFFFAOYSA-N -1 1 343.452 3.635 20 0 EHADMM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000183872347 1038750480 /nfs/dbraw/zinc/75/04/80/1038750480.db2.gz NYBQHGZWIAIGIE-UHFFFAOYSA-N -1 1 340.766 3.695 20 0 EHADMM C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000910244898 1038784698 /nfs/dbraw/zinc/78/46/98/1038784698.db2.gz IJKPLVXSPWNUPF-BZNIZROVSA-N -1 1 349.390 3.566 20 0 EHADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1C(C)C)c1ccccc1F ZINC000416654018 1038865119 /nfs/dbraw/zinc/86/51/19/1038865119.db2.gz UXIUMRCNJXJKSE-GOSISDBHSA-N -1 1 349.427 3.558 20 0 EHADMM Cc1nc(N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000910374303 1038870146 /nfs/dbraw/zinc/87/01/46/1038870146.db2.gz LMCXNWZLWDOCJC-NVXWUHKLSA-N -1 1 345.830 3.599 20 0 EHADMM COc1ccc(C(=O)Nc2ccccc2OC2CCCC2)c([O-])c1 ZINC000195645314 1039061809 /nfs/dbraw/zinc/06/18/09/1039061809.db2.gz YSUNHMUSNKQSJV-UHFFFAOYSA-N -1 1 327.380 3.975 20 0 EHADMM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc2ccccc2cc1[O-] ZINC000195721405 1039086578 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CC[C@H](C)n1ncc(NCc2ncc(Br)cc2[O-])c1C ZINC000893997441 1039935703 /nfs/dbraw/zinc/93/57/03/1039935703.db2.gz NONNMDMPNVCBQH-VIFPVBQESA-N -1 1 339.237 3.638 20 0 EHADMM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907398861 1040039328 /nfs/dbraw/zinc/03/93/28/1040039328.db2.gz YSUHWZURSHCLDA-SJCJKPOMSA-N -1 1 337.423 3.503 20 0 EHADMM CCCn1c(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc2ccccc21 ZINC000417631834 1040091123 /nfs/dbraw/zinc/09/11/23/1040091123.db2.gz SDKOYGMEVCAWDC-SJLPKXTDSA-N -1 1 349.434 3.849 20 0 EHADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000500004968 1040293151 /nfs/dbraw/zinc/29/31/51/1040293151.db2.gz LWROQOMUXADZII-QLJPJBMISA-N -1 1 346.224 3.818 20 0 EHADMM C/C=C\c1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000553696005 1040323234 /nfs/dbraw/zinc/32/32/34/1040323234.db2.gz VJOFRRXBRHXQNF-PLNGDYQASA-N -1 1 343.452 3.817 20 0 EHADMM O=S(=O)([N-]c1ccccc1F)c1cc(F)ccc1Br ZINC000152139672 1040365059 /nfs/dbraw/zinc/36/50/59/1040365059.db2.gz 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ODPBINHHHSDBFU-UHFFFAOYSA-N -1 1 345.782 3.773 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000620720443 1125672743 /nfs/dbraw/zinc/67/27/43/1125672743.db2.gz FVCQUKSPYDFVNW-UHFFFAOYSA-N -1 1 339.366 3.612 20 0 EHADMM CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccn1 ZINC000622632508 1126734026 /nfs/dbraw/zinc/73/40/26/1126734026.db2.gz ZJRURHIFAPSECW-UHFFFAOYSA-N -1 1 338.329 3.514 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2C1 ZINC000171346031 1126763033 /nfs/dbraw/zinc/76/30/33/1126763033.db2.gz GZLBCPDYTOEARS-UHFFFAOYSA-N -1 1 348.443 3.661 20 0 EHADMM CC(=O)CCCCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000763790380 1126796954 /nfs/dbraw/zinc/79/69/54/1126796954.db2.gz LZKJMKDYRHZXQW-UHFFFAOYSA-N -1 1 329.400 3.650 20 0 EHADMM C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000623207632 1126895917 /nfs/dbraw/zinc/89/59/17/1126895917.db2.gz YQAQUOCXHUINBQ-XVKPBYJWSA-N -1 1 340.210 3.727 20 0 EHADMM CC(C)C[C@@H]1CC[N@@H+](Cn2c(Cc3cccs3)n[nH]c2=S)C1 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20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000032599789 1127854659 /nfs/dbraw/zinc/85/46/59/1127854659.db2.gz JARFAFBYLCVXDO-UHFFFAOYSA-N -1 1 335.425 3.675 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1csc(-c2ccccc2)n1 ZINC000060058694 1128093437 /nfs/dbraw/zinc/09/34/37/1128093437.db2.gz WFPPJFHAWYGKNH-UHFFFAOYSA-N -1 1 338.364 3.852 20 0 EHADMM CSc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1F ZINC000347591166 1128125361 /nfs/dbraw/zinc/12/53/61/1128125361.db2.gz MAQXGPGVIKLPRX-UHFFFAOYSA-N -1 1 343.383 3.896 20 0 EHADMM CC(C)(C)c1nsc([N-]C(=O)c2nc(Cl)ccc2Cl)n1 ZINC000068073750 1128258230 /nfs/dbraw/zinc/25/82/30/1128258230.db2.gz BQEHWWDUMJMSPV-UHFFFAOYSA-N -1 1 331.228 3.790 20 0 EHADMM CCCCc1noc([C@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000109714149 1128225359 /nfs/dbraw/zinc/22/53/59/1128225359.db2.gz OVNQUBXTAWNHNB-ZETCQYMHSA-N -1 1 348.350 3.780 20 0 EHADMM O=C([N-]C1CCC1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902853104 1128429144 /nfs/dbraw/zinc/42/91/44/1128429144.db2.gz DFORFCLHBKJJRZ-UHFFFAOYSA-N -1 1 328.668 3.514 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1Cl ZINC000055558228 1128523147 /nfs/dbraw/zinc/52/31/47/1128523147.db2.gz RFVGONSQYMWBHP-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1C ZINC000108638939 1128654890 /nfs/dbraw/zinc/65/48/90/1128654890.db2.gz GLRRAULHQPIESS-UHFFFAOYSA-N -1 1 341.436 3.505 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001648799995 1120040445 /nfs/dbraw/zinc/04/04/45/1120040445.db2.gz ZIHNFURAPMVFFZ-CVEARBPZSA-N -1 1 329.827 3.583 20 0 EHADMM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC001670558630 1120086224 /nfs/dbraw/zinc/08/62/24/1120086224.db2.gz VOUDIRPFZUGPGM-UHFFFAOYSA-N -1 1 345.386 3.939 20 0 EHADMM O=S(=O)([N-]CCCCOc1ccccc1)c1cc2ccccc2o1 ZINC000084936159 1120098417 /nfs/dbraw/zinc/09/84/17/1120098417.db2.gz KNJDURYDXNHKRF-UHFFFAOYSA-N -1 1 345.420 3.570 20 0 EHADMM CC(C)[C@H](CNC(=O)c1c[nH]c2ccccc2c1=O)Cc1ccccc1 ZINC000189044455 1120528936 /nfs/dbraw/zinc/52/89/36/1120528936.db2.gz HUFZHWKBEPVUOG-KRWDZBQOSA-N -1 1 348.446 3.773 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189223291 1120561330 /nfs/dbraw/zinc/56/13/30/1120561330.db2.gz OCGIJGPMIYCYCA-UHFFFAOYSA-N -1 1 329.343 3.901 20 0 EHADMM CC(C)[C@H](C)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494555938 1120593079 /nfs/dbraw/zinc/59/30/79/1120593079.db2.gz SIRFAJCPXHHCGF-LBPRGKRZSA-N -1 1 336.432 3.856 20 0 EHADMM CC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000191619969 1120682524 /nfs/dbraw/zinc/68/25/24/1120682524.db2.gz RYWVYICIQVGBLB-AWEZNQCLSA-N -1 1 346.452 3.862 20 0 EHADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000231326212 1121028732 /nfs/dbraw/zinc/02/87/32/1121028732.db2.gz HLYYYURAWSGGHI-LLVKDONJSA-N -1 1 334.213 3.954 20 0 EHADMM CC(C)(C)C1=CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000231359358 1121029713 /nfs/dbraw/zinc/02/97/13/1121029713.db2.gz JEPXMJHRTNMWPB-UHFFFAOYSA-N -1 1 338.245 3.973 20 0 EHADMM C[C@H]1C[C@@H]1c1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000495357226 1121111047 /nfs/dbraw/zinc/11/10/47/1121111047.db2.gz JTXORBYOBKAYGR-CABZTGNLSA-N -1 1 331.372 3.913 20 0 EHADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1cccc(F)c1 ZINC000064938368 1128980227 /nfs/dbraw/zinc/98/02/27/1128980227.db2.gz YVFRGKWRTQNCBY-UHFFFAOYSA-N -1 1 335.400 3.553 20 0 EHADMM Cc1ncc(C(=O)NCc2ccc([O-])c(Cl)c2)c(Cl)c1Cl ZINC001649015046 1121363157 /nfs/dbraw/zinc/36/31/57/1121363157.db2.gz KQHIJUPEBOJMQR-UHFFFAOYSA-N -1 1 345.613 3.986 20 0 EHADMM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C[C@H]1C ZINC000153761240 1121713122 /nfs/dbraw/zinc/71/31/22/1121713122.db2.gz URLLMWOHZBTLKS-CHWSQXEVSA-N -1 1 348.443 3.857 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000055598404 1121844274 /nfs/dbraw/zinc/84/42/74/1121844274.db2.gz CTZMKNGVYBIUCP-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000496946535 1122216802 /nfs/dbraw/zinc/21/68/02/1122216802.db2.gz SALVCTRBLITBPE-TZMCWYRMSA-N -1 1 348.443 4.000 20 0 EHADMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2ccc(Cl)cc2[O-])s1 ZINC000123590875 1122258097 /nfs/dbraw/zinc/25/80/97/1122258097.db2.gz DVZJQUDHMLKAJZ-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM CC(C)CSCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000126764763 1122424397 /nfs/dbraw/zinc/42/43/97/1122424397.db2.gz KUJXZBNOGBDMGY-UHFFFAOYSA-N -1 1 346.290 3.664 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000126846201 1122446715 /nfs/dbraw/zinc/44/67/15/1122446715.db2.gz KCYXSNMQNUYTCD-BXUZGUMPSA-N -1 1 338.245 3.950 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1cnc(-c2ccccc2)s1 ZINC000067551883 1122520611 /nfs/dbraw/zinc/52/06/11/1122520611.db2.gz XFZSDMQVSYUPDE-UHFFFAOYSA-N -1 1 338.364 3.852 20 0 EHADMM COc1ccc2c(c1)CCC[C@@H]2c1noc(-c2ccc(N)cc2[O-])n1 ZINC000843194464 1129067918 /nfs/dbraw/zinc/06/79/18/1129067918.db2.gz HVLUEDWPRZGANN-HNNXBMFYSA-N -1 1 337.379 3.501 20 0 EHADMM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000917746744 1122676409 /nfs/dbraw/zinc/67/64/09/1122676409.db2.gz LBMYYFIANDTTTR-KHPPLWFESA-N -1 1 345.420 3.503 20 0 EHADMM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670419584 1122710670 /nfs/dbraw/zinc/71/06/70/1122710670.db2.gz YWXFYIIJOUOSPY-IAOVAPTHSA-N -1 1 347.336 3.869 20 0 EHADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000069042767 1122746579 /nfs/dbraw/zinc/74/65/79/1122746579.db2.gz SRPDCYLKYOOZGT-UHFFFAOYSA-N -1 1 340.206 3.850 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](c2ccccc2)O1 ZINC000130979753 1123028522 /nfs/dbraw/zinc/02/85/22/1123028522.db2.gz ALTMIXUYIHECCC-SJCJKPOMSA-N -1 1 331.799 3.648 20 0 EHADMM CCCOc1ccc(-c2nc(C(=O)[N-]c3nncs3)cs2)cc1 ZINC000131127409 1123047764 /nfs/dbraw/zinc/04/77/64/1123047764.db2.gz HJVTZOPVFJCZRR-UHFFFAOYSA-N -1 1 346.437 3.703 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc(C)c1F ZINC000132780299 1123299585 /nfs/dbraw/zinc/29/95/85/1123299585.db2.gz SSWQJYFKXVLGIA-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM O=C(NCc1ccccc1C(F)(F)F)c1c([O-])cccc1Cl ZINC000920445450 1123369553 /nfs/dbraw/zinc/36/95/53/1123369553.db2.gz WFHXNKSLDZOCDZ-UHFFFAOYSA-N -1 1 329.705 3.994 20 0 EHADMM O=C(NCc1cccnc1OC1CCCC1)c1c([O-])cccc1Cl ZINC000920447105 1123370259 /nfs/dbraw/zinc/37/02/59/1123370259.db2.gz AFVYYRCGIJPNSD-UHFFFAOYSA-N -1 1 346.814 3.692 20 0 EHADMM O=C(NCc1ccccc1N1CCCC1)c1c([O-])cccc1Cl ZINC000920456740 1123371286 /nfs/dbraw/zinc/37/12/86/1123371286.db2.gz DWVJNDZMUINAPK-UHFFFAOYSA-N -1 1 330.815 3.576 20 0 EHADMM CC(=O)c1c(C)cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1C ZINC000921491271 1123546762 /nfs/dbraw/zinc/54/67/62/1123546762.db2.gz FYRQRHFYZYHSSV-UHFFFAOYSA-N -1 1 341.411 3.686 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000134825662 1123555628 /nfs/dbraw/zinc/55/56/28/1123555628.db2.gz CGSHWKGPSFCQOI-UHFFFAOYSA-N -1 1 346.387 3.927 20 0 EHADMM CC[C@H](C)CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077614504 1123570199 /nfs/dbraw/zinc/57/01/99/1123570199.db2.gz BBMUKNNVDIYXRU-LBPRGKRZSA-N -1 1 336.432 3.857 20 0 EHADMM COc1ccc(Cl)cc1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000347686309 1129131508 /nfs/dbraw/zinc/13/15/08/1129131508.db2.gz HYSMFRJDHWPAPP-UHFFFAOYSA-N -1 1 341.741 3.605 20 0 EHADMM O=C(Nc1nnc(C(F)(F)F)s1)c1ccc2ccccc2c1[O-] ZINC000078678711 1123645727 /nfs/dbraw/zinc/64/57/27/1123645727.db2.gz CLPUGLXAALIYFY-UHFFFAOYSA-N -1 1 339.298 3.668 20 0 EHADMM CCN(c1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1)C(C)C ZINC000068300693 1123913522 /nfs/dbraw/zinc/91/35/22/1123913522.db2.gz PPTHFJMZTQVPII-UHFFFAOYSA-N -1 1 348.468 3.731 20 0 EHADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000616333074 1123985353 /nfs/dbraw/zinc/98/53/53/1123985353.db2.gz SPPAHGUEVCDDLK-WFASDCNBSA-N -1 1 337.395 3.714 20 0 EHADMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000069110800 1124467898 /nfs/dbraw/zinc/46/78/98/1124467898.db2.gz JMCWSYHVBUDPSK-UHFFFAOYSA-N -1 1 347.436 3.753 20 0 EHADMM C[C@@H](CC(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(F)cc1 ZINC000617367391 1124501546 /nfs/dbraw/zinc/50/15/46/1124501546.db2.gz WDFNYEYHDVUDSF-NSHDSACASA-N -1 1 329.400 3.832 20 0 EHADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1F ZINC001212331682 1124695853 /nfs/dbraw/zinc/69/58/53/1124695853.db2.gz LRNOQXKLLXAYDH-CQSZACIVSA-N -1 1 347.333 3.673 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000618281106 1125041356 /nfs/dbraw/zinc/04/13/56/1125041356.db2.gz RFTOSOOHJHQDFU-UHFFFAOYSA-N -1 1 337.489 3.501 20 0 EHADMM C[C@H]1c2ccsc2CCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735295338 1131328742 /nfs/dbraw/zinc/32/87/42/1131328742.db2.gz TWFXMSDRSHLWTL-NSHDSACASA-N -1 1 343.481 3.641 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000619180636 1125305808 /nfs/dbraw/zinc/30/58/08/1125305808.db2.gz KDEHRCCTJZNJRX-APWZRJJASA-N -1 1 339.435 3.967 20 0 EHADMM COc1cc(C(=O)N(Cc2ccc(C)o2)C2CC2)cc(Cl)c1[O-] ZINC000682374655 1129215277 /nfs/dbraw/zinc/21/52/77/1129215277.db2.gz XUCSGRMTVAYHRY-UHFFFAOYSA-N -1 1 335.787 3.760 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccn(-c2ccccc2Cl)n1 ZINC000735925633 1131391186 /nfs/dbraw/zinc/39/11/86/1131391186.db2.gz XYHVMAGAFFHNQV-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccncc2Cl)CC1 ZINC000673752757 1129829250 /nfs/dbraw/zinc/82/92/50/1129829250.db2.gz FKSMQOJIIWREFA-UHFFFAOYSA-N -1 1 330.815 3.536 20 0 EHADMM O=C(CCCOc1ccc2c(c1)OCO2)Nc1ccc([O-])c(Cl)c1 ZINC000509163255 1129901024 /nfs/dbraw/zinc/90/10/24/1129901024.db2.gz DQXWKTOGOKRPIL-UHFFFAOYSA-N -1 1 349.770 3.572 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2cnc(-c3ccccn3)s2)s1 ZINC000171401519 1130053967 /nfs/dbraw/zinc/05/39/67/1130053967.db2.gz WETDPICNVITMOL-UHFFFAOYSA-N -1 1 345.453 3.652 20 0 EHADMM O=C(c1cncc([O-])c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000171862104 1130093967 /nfs/dbraw/zinc/09/39/67/1130093967.db2.gz XEUOHEJZLNFLHC-HXUWFJFHSA-N -1 1 330.387 3.575 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1ccc(F)c(Cl)c1 ZINC000675546645 1130426207 /nfs/dbraw/zinc/42/62/07/1130426207.db2.gz IWSRGQGORLUTQD-UHFFFAOYSA-N -1 1 343.811 3.661 20 0 EHADMM CC[C@H](c1ccccc1)N(CC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000823066728 1131037531 /nfs/dbraw/zinc/03/75/31/1131037531.db2.gz WWBRLLKPGNSDTM-MRXNPFEDSA-N -1 1 325.412 3.673 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2CC2(C)C)c([O-])c1 ZINC000740927003 1131559034 /nfs/dbraw/zinc/55/90/34/1131559034.db2.gz XIXJMUPETQGKAD-LLVKDONJSA-N -1 1 334.416 3.515 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccnc3ccccc32)c1 ZINC000744517526 1132115560 /nfs/dbraw/zinc/11/55/60/1132115560.db2.gz AAERHNTVLUWTTE-UHFFFAOYSA-N -1 1 335.359 3.543 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2sccc2C2CC2)c1 ZINC000744874727 1132162859 /nfs/dbraw/zinc/16/28/59/1132162859.db2.gz MLWIBNZUDZZMIO-UHFFFAOYSA-N -1 1 330.405 3.933 20 0 EHADMM CCOC(=O)c1c([N-]c2cncc(OC)c2)onc1-c1ccccc1 ZINC001174090013 1132242872 /nfs/dbraw/zinc/24/28/72/1132242872.db2.gz GOGJPUJRMYKCAH-UHFFFAOYSA-N -1 1 339.351 3.666 20 0 EHADMM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1cccc(Cl)n1 ZINC000379694374 1132320768 /nfs/dbraw/zinc/32/07/68/1132320768.db2.gz RERNUZOYIFAWHT-HJWRWDBZSA-N -1 1 329.208 3.801 20 0 EHADMM O=C([N-]c1nnc(C2CC2)s1)c1cc(F)c(C(F)(F)F)cc1F ZINC000804275263 1132533466 /nfs/dbraw/zinc/53/34/66/1132533466.db2.gz WCXYEIAKSLVXCD-UHFFFAOYSA-N -1 1 349.284 3.965 20 0 EHADMM CCOC(=O)c1c(C)nsc1[N-]c1c(F)ccc(OC)c1F ZINC001175116456 1132558298 /nfs/dbraw/zinc/55/82/98/1132558298.db2.gz SAZCPGYJEUJNIV-UHFFFAOYSA-N -1 1 328.340 3.659 20 0 EHADMM CC(=O)OCc1cccc(C)c1Nc1cc2ccc([O-])cc2oc1=O ZINC001212768838 1132633685 /nfs/dbraw/zinc/63/36/85/1132633685.db2.gz AJFTXJSWWLRKDJ-UHFFFAOYSA-N -1 1 339.347 3.614 20 0 EHADMM CCOC(=O)c1nnsc1[N-]c1ccc(-c2ccccc2)nc1 ZINC001175833255 1132772009 /nfs/dbraw/zinc/77/20/09/1132772009.db2.gz UGSFJYPZECDBST-UHFFFAOYSA-N -1 1 326.381 3.520 20 0 EHADMM CN(C)C(=O)Sc1cccc(COC(=O)c2ccc([O-])cc2F)c1 ZINC000773565973 1132900089 /nfs/dbraw/zinc/90/00/89/1132900089.db2.gz AMFRVOUASVLSGJ-UHFFFAOYSA-N -1 1 349.383 3.662 20 0 EHADMM O=C(OCc1csc(Br)c1)c1ccc([O-])cc1F ZINC000773567718 1132906325 /nfs/dbraw/zinc/90/63/25/1132906325.db2.gz NHQSPSVOIKYQQH-UHFFFAOYSA-N -1 1 331.162 3.712 20 0 EHADMM COC(=O)Cc1c(F)ccc(Nc2c(F)cc(F)c([O-])c2F)c1F ZINC001176672982 1132979504 /nfs/dbraw/zinc/97/95/04/1132979504.db2.gz OQEQJGKMVYIAIR-UHFFFAOYSA-N -1 1 347.239 3.547 20 0 EHADMM COC(=O)c1c(F)ccc(Nc2c(F)cc(F)c([O-])c2F)c1F ZINC001176673307 1132979527 /nfs/dbraw/zinc/97/95/27/1132979527.db2.gz SLADCDCUOBJQKO-UHFFFAOYSA-N -1 1 333.212 3.618 20 0 EHADMM COC(=O)c1cc(C)c(C)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176674100 1132980640 /nfs/dbraw/zinc/98/06/40/1132980640.db2.gz PRXIBMYAPIHYPH-UHFFFAOYSA-N -1 1 325.286 3.957 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccc(Cl)cc1)c1ccccc1N ZINC001176730686 1132988558 /nfs/dbraw/zinc/98/85/58/1132988558.db2.gz KXHQQIILZWGNBX-UHFFFAOYSA-N -1 1 335.816 3.701 20 0 EHADMM CC(=O)OCc1cccc(Cl)c1Nc1ccnc(Cl)c1[O-] 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20 0 EHADMM O=C([N-]c1nc2ccc3scnc3c2s1)c1cc(Cl)no1 ZINC001179796600 1133283909 /nfs/dbraw/zinc/28/39/09/1133283909.db2.gz VCMSYWALFXIHKI-UHFFFAOYSA-N -1 1 336.785 3.800 20 0 EHADMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769742701 1133341996 /nfs/dbraw/zinc/34/19/96/1133341996.db2.gz SZIGHGPWEQKYBB-AWEZNQCLSA-N -1 1 345.826 3.902 20 0 EHADMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1c([O-])cccc1Cl ZINC000769749526 1133342777 /nfs/dbraw/zinc/34/27/77/1133342777.db2.gz PFSSKTVLWCBWQU-RDJZCZTQSA-N -1 1 331.799 3.696 20 0 EHADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)c1ccc(F)c(F)c1 ZINC000769959259 1133366304 /nfs/dbraw/zinc/36/63/04/1133366304.db2.gz JTZYWQPLSFFEFE-UHFFFAOYSA-N -1 1 325.742 3.989 20 0 EHADMM COC1(C[N@@H+](C)Cc2nc(=O)c3sccc3[n-]2)CCCCCC1 ZINC001180601677 1133397232 /nfs/dbraw/zinc/39/72/32/1133397232.db2.gz BDUZYDQTJWLBID-UHFFFAOYSA-N -1 1 335.473 3.568 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2nnc(C(C)C)s2)c([O-])c1 ZINC001182293970 1133619556 /nfs/dbraw/zinc/61/95/56/1133619556.db2.gz 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O=C(Nc1ccc2[nH]ccc2c1)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190257824 1134673357 /nfs/dbraw/zinc/67/33/57/1134673357.db2.gz KPUWURHBMQJJDL-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2ncc(C(F)(F)F)cc2Cl)o1 ZINC001190637748 1134730126 /nfs/dbraw/zinc/73/01/26/1134730126.db2.gz LVIJLSUSNLHZIX-UHFFFAOYSA-N -1 1 348.712 3.687 20 0 EHADMM COC(=O)Nc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000792739589 1134784329 /nfs/dbraw/zinc/78/43/29/1134784329.db2.gz SNLWOYDCSUVZLT-UHFFFAOYSA-N -1 1 335.747 3.868 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CO)cc1 ZINC001191252889 1134824919 /nfs/dbraw/zinc/82/49/19/1134824919.db2.gz IKTJDFRIMMURPA-UHFFFAOYSA-N -1 1 333.453 3.631 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)cc1 ZINC001191224774 1134830030 /nfs/dbraw/zinc/83/00/30/1134830030.db2.gz TUHGJYUHBUXTCQ-UHFFFAOYSA-N -1 1 337.416 3.978 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2nc(F)ccc2F)cc1 ZINC001191231942 1134832987 /nfs/dbraw/zinc/83/29/87/1134832987.db2.gz AKTDVICEUOPJPU-UHFFFAOYSA-N -1 1 326.368 3.503 20 0 EHADMM C[C@H]1CCCCN(C(=O)c2ccccc2C(=O)c2ccc([O-])cc2)C1 ZINC001191496878 1134874138 /nfs/dbraw/zinc/87/41/38/1134874138.db2.gz GEVHEXUXLUEOID-HNNXBMFYSA-N -1 1 337.419 3.885 20 0 EHADMM COc1cc(C)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191898643 1134941610 /nfs/dbraw/zinc/94/16/10/1134941610.db2.gz WVGKVWZNLNXOLA-UHFFFAOYSA-N -1 1 343.807 3.738 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)no2)c([O-])c1 ZINC001192314237 1134998166 /nfs/dbraw/zinc/99/81/66/1134998166.db2.gz LSQHVTNWRKEVEJ-UHFFFAOYSA-N -1 1 337.379 3.992 20 0 EHADMM CCN(C(=O)c1c(F)ccc([O-])c1F)[C@H](C)Cc1ccc(OC)cc1 ZINC001192524061 1135026676 /nfs/dbraw/zinc/02/66/76/1135026676.db2.gz JVNCTAOWNQXTOJ-GFCCVEGCSA-N -1 1 349.377 3.772 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001192535230 1135032415 /nfs/dbraw/zinc/03/24/15/1135032415.db2.gz CQIGZZJHNVAGEV-CYBMUJFWSA-N -1 1 339.288 3.926 20 0 EHADMM O=C(Cc1ccc(C2CCC2)cc1)Nc1nc2c(c(=O)[n-]1)CCCC2 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CCOC(=O)NC(=S)[N-]c1cc(C)c(Br)c(C)c1 ZINC001195449393 1135424937 /nfs/dbraw/zinc/42/49/37/1135424937.db2.gz VAUZRJCKVZPVRK-UHFFFAOYSA-N -1 1 331.235 3.509 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc2ccccc2nc1C(F)(F)F ZINC001195457716 1135426201 /nfs/dbraw/zinc/42/62/01/1135426201.db2.gz DZQPFKIEVGVXIS-UHFFFAOYSA-N -1 1 343.330 3.697 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)n1 ZINC001197508518 1135697311 /nfs/dbraw/zinc/69/73/11/1135697311.db2.gz OMBVEKXVGNLUAJ-UHFFFAOYSA-N -1 1 345.251 3.893 20 0 EHADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1 ZINC001198154284 1135779970 /nfs/dbraw/zinc/77/99/70/1135779970.db2.gz SCSUIAIVUZJTLM-UHFFFAOYSA-N -1 1 341.436 3.773 20 0 EHADMM COCc1nc(C(=O)[N-]c2ccccc2SC(F)(F)F)co1 ZINC000775826213 1135783166 /nfs/dbraw/zinc/78/31/66/1135783166.db2.gz JKQCJOOQICRCPC-UHFFFAOYSA-N -1 1 332.303 3.685 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Oc2cccnc2)cc1 ZINC000809302445 1135818471 /nfs/dbraw/zinc/81/84/71/1135818471.db2.gz GGJOKKGRPOZHBM-JTQLQIEISA-N -1 1 342.292 3.952 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccnc(C(F)(F)F)c3)n2)c(F)c1 ZINC000809470230 1135839476 /nfs/dbraw/zinc/83/94/76/1135839476.db2.gz YOTUQDLZWHFPFI-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC001198702407 1135845279 /nfs/dbraw/zinc/84/52/79/1135845279.db2.gz RNQOUGJUGAUPPH-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM O=S(=O)([N-]c1ccnc(C(F)(F)F)c1)c1ccc2occc2c1 ZINC001198817242 1135859311 /nfs/dbraw/zinc/85/93/11/1135859311.db2.gz AWOBIQJTWYTHAU-UHFFFAOYSA-N -1 1 342.298 3.647 20 0 EHADMM O=C([N-]c1noc2cccnc12)c1cc(-c2ccccc2)cnc1F ZINC001199728554 1135923773 /nfs/dbraw/zinc/92/37/73/1135923773.db2.gz UUDPDYHTUZQOMT-UHFFFAOYSA-N -1 1 334.310 3.676 20 0 EHADMM CC(C)C(=O)Nc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001199801299 1135930407 /nfs/dbraw/zinc/93/04/07/1135930407.db2.gz QLWUSGWZDORKLQ-UHFFFAOYSA-N -1 1 336.395 3.916 20 0 EHADMM CSc1nc(C)c(CCC(=O)OC[C@H]2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000776112626 1135959120 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Cc1cc(=O)[nH]c2cc(C(=O)Nc3ccc([O-])c(Cl)c3)ccc12 ZINC000813494754 1136342389 /nfs/dbraw/zinc/34/23/89/1136342389.db2.gz ZKBQMIUIXGEAES-UHFFFAOYSA-N -1 1 328.755 3.860 20 0 EHADMM O=c1cc(CN[C@@H](c2ccccc2)C(F)F)c2ccc([O-])cc2o1 ZINC000814650422 1136485556 /nfs/dbraw/zinc/48/55/56/1136485556.db2.gz RKVBRSYSVBJWOA-KRWDZBQOSA-N -1 1 331.318 3.595 20 0 EHADMM CCCCCn1cc(CNC(=O)c2ccc(Cl)cc2[O-])c(C)n1 ZINC001138005921 1136499727 /nfs/dbraw/zinc/49/97/27/1136499727.db2.gz GZEQJXWVVSQEKC-UHFFFAOYSA-N -1 1 335.835 3.671 20 0 EHADMM Cc1nc(SCC(C)C)sc1CC(=O)[N-]OCC1CCC1 ZINC000856342391 1136778514 /nfs/dbraw/zinc/77/85/14/1136778514.db2.gz SMYMAXSENYHODI-UHFFFAOYSA-N -1 1 328.503 3.590 20 0 EHADMM O=C(NCC[C@H]1CC1(Cl)Cl)c1ccc(C(F)(F)F)c([O-])c1 ZINC000857736421 1136904018 /nfs/dbraw/zinc/90/40/18/1136904018.db2.gz MEJSUGSLAKSMEF-QMMMGPOBSA-N -1 1 342.144 3.725 20 0 EHADMM COc1cc(CCNC(=O)c2c([O-])cccc2Cl)ccc1Cl ZINC000819160119 1136918273 /nfs/dbraw/zinc/91/82/73/1136918273.db2.gz OHCNSRFFCLDHMQ-UHFFFAOYSA-N -1 1 340.206 3.680 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2c(Cl)nn(C)c2Cl)s1 ZINC000858690339 1136987213 /nfs/dbraw/zinc/98/72/13/1136987213.db2.gz SGEZAPDNMZLCFL-UHFFFAOYSA-N -1 1 348.259 3.563 20 0 EHADMM COc1ccccc1C=C(C(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000820401769 1136990642 /nfs/dbraw/zinc/99/06/42/1136990642.db2.gz DOXOSUGPFZHERA-VBKFSLOCSA-N -1 1 349.390 3.612 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000820402167 1136990648 /nfs/dbraw/zinc/99/06/48/1136990648.db2.gz IKXRASHHVJLTNG-VQHVLOKHSA-N -1 1 343.383 3.943 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC000820407351 1136990892 /nfs/dbraw/zinc/99/08/92/1136990892.db2.gz JACCABNPMYDSBA-UHFFFAOYSA-N -1 1 333.457 3.593 20 0 EHADMM O=S(=O)([N-]c1ccccc1F)c1csnc1-c1ccccc1 ZINC000821119268 1137017492 /nfs/dbraw/zinc/01/74/92/1137017492.db2.gz OUBSHJYSLLOPJJ-UHFFFAOYSA-N -1 1 334.397 3.750 20 0 EHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000821128368 1137017803 /nfs/dbraw/zinc/01/78/03/1137017803.db2.gz XBEIBAFOJYLJRD-UHFFFAOYSA-N -1 1 340.763 3.730 20 0 EHADMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc(Cl)ccc1[O-] ZINC001136521837 1137045498 /nfs/dbraw/zinc/04/54/98/1137045498.db2.gz SQXFVLCSWUWNOM-HNNXBMFYSA-N -1 1 331.799 3.862 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@H](C4CCC4)C3)c2)o1 ZINC000822871127 1137078350 /nfs/dbraw/zinc/07/83/50/1137078350.db2.gz FRSKUCQNQQRAAT-HNNXBMFYSA-N -1 1 339.391 3.727 20 0 EHADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc2ccc(O)cc2c1[O-] ZINC001136785888 1137116212 /nfs/dbraw/zinc/11/62/12/1137116212.db2.gz MCLSOUXYNFXSCJ-NWANDNLSSA-N -1 1 325.408 3.950 20 0 EHADMM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(F)c1[O-] ZINC000863009850 1137167142 /nfs/dbraw/zinc/16/71/42/1137167142.db2.gz LPMSATFOHNEGOE-KRWDZBQOSA-N -1 1 340.395 3.553 20 0 EHADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001137038382 1137178452 /nfs/dbraw/zinc/17/84/52/1137178452.db2.gz CIFXCUDVILWODA-GOSISDBHSA-N -1 1 339.435 3.915 20 0 EHADMM CC(C)(c1nc(CC[N-]C(=O)C(F)(F)F)cs1)c1ccccc1 ZINC000864369231 1137224440 /nfs/dbraw/zinc/22/44/40/1137224440.db2.gz SJDLTBACRVVXLM-UHFFFAOYSA-N -1 1 342.386 3.690 20 0 EHADMM [O-]c1cc(F)c(CN2CCOC[C@@H]2c2ccccc2Cl)c(F)c1 ZINC001144561676 1137309856 /nfs/dbraw/zinc/30/98/56/1137309856.db2.gz LJBLPMANBVQSPW-QGZVFWFLSA-N -1 1 339.769 3.897 20 0 EHADMM C[C@]1(CC[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@@]1(F)Cl ZINC000845973667 1137322705 /nfs/dbraw/zinc/32/27/05/1137322705.db2.gz BNNWGMVOWSITRT-KBPBESRZSA-N -1 1 349.786 3.555 20 0 EHADMM C/C(=C/CN1CCC[C@@H]1c1ccc(Br)c(C)c1)C(=O)[O-] ZINC000846255745 1137344212 /nfs/dbraw/zinc/34/42/12/1137344212.db2.gz FWDKPTOLHRHPFK-OCOPJHETSA-N -1 1 338.245 3.925 20 0 EHADMM CC1CCC(OC2CCN(C(=O)c3ccc([O-])cc3F)CC2)CC1 ZINC001145016671 1137382129 /nfs/dbraw/zinc/38/21/29/1137382129.db2.gz LJRGIJCBAOYBGU-UHFFFAOYSA-N -1 1 335.419 3.731 20 0 EHADMM CCC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000867918867 1137389596 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COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc(OC)c1 ZINC001148790541 1137433770 /nfs/dbraw/zinc/43/37/70/1137433770.db2.gz OWWVIJXBRGOKEZ-UHFFFAOYSA-N -1 1 341.285 3.681 20 0 EHADMM CC1CCN(c2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)CC1 ZINC000586738466 1137457631 /nfs/dbraw/zinc/45/76/31/1137457631.db2.gz HACWQFFJOWUNRX-UHFFFAOYSA-N -1 1 326.396 3.586 20 0 EHADMM CC(C)(C)OC1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000870491770 1137495458 /nfs/dbraw/zinc/49/54/58/1137495458.db2.gz PWIWYMGLHYTCSI-UHFFFAOYSA-N -1 1 327.371 3.527 20 0 EHADMM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(F)c1[O-] ZINC001171632641 1137499757 /nfs/dbraw/zinc/49/97/57/1137499757.db2.gz JHTHQOLQIIVVCO-UHFFFAOYSA-N -1 1 339.370 3.645 20 0 EHADMM CCC[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1ccccn1 ZINC000872877524 1137586018 /nfs/dbraw/zinc/58/60/18/1137586018.db2.gz WXVNQITUGGVKKE-HNNXBMFYSA-N -1 1 333.819 3.781 20 0 EHADMM CCc1cnccc1[C@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872959677 1137587020 /nfs/dbraw/zinc/58/70/20/1137587020.db2.gz 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20 0 EHADMM O=S(=O)(C=Cc1ccccc1F)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000800042076 1137895539 /nfs/dbraw/zinc/89/55/39/1137895539.db2.gz LJVIOLAXKOQZJE-MDZDMXLPSA-N -1 1 335.404 3.619 20 0 EHADMM CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000112725646 1137909764 /nfs/dbraw/zinc/90/97/64/1137909764.db2.gz PNEYWICCSVFIEB-UHFFFAOYSA-N -1 1 349.434 3.601 20 0 EHADMM Cc1ccc([C@@H]2COCCN2C(=O)c2cc3ccccc3cc2[O-])o1 ZINC000116704009 1137927028 /nfs/dbraw/zinc/92/70/28/1137927028.db2.gz QTEUFKRNWCOZTA-KRWDZBQOSA-N -1 1 337.375 3.661 20 0 EHADMM COc1ccc([C@@H](NC(=O)c2c(F)ccc([O-])c2F)C2CCC2)cc1 ZINC000885403956 1137999834 /nfs/dbraw/zinc/99/98/34/1137999834.db2.gz FSQVYQMYKREROD-SFHVURJKSA-N -1 1 347.361 3.950 20 0 EHADMM Cc1noc(C)c1CSCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674995 1138017765 /nfs/dbraw/zinc/01/77/65/1138017765.db2.gz YJQBAJDHNOZYQN-UHFFFAOYSA-N -1 1 344.795 3.661 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](C2CCOCC2)C1 ZINC000886143408 1138051761 /nfs/dbraw/zinc/05/17/61/1138051761.db2.gz BIHOKJXFIOYUGM-GOSISDBHSA-N -1 1 339.435 3.824 20 0 EHADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266555 1138063004 /nfs/dbraw/zinc/06/30/04/1138063004.db2.gz PTTVUIDBCDNAON-QWHCGFSZSA-N -1 1 337.391 3.503 20 0 EHADMM CC[C@H](CC(=O)NCCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000067078338 1138079791 /nfs/dbraw/zinc/07/97/91/1138079791.db2.gz UDIUMXDXZCNMMM-CYBMUJFWSA-N -1 1 344.484 3.518 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000081755336 1138171004 /nfs/dbraw/zinc/17/10/04/1138171004.db2.gz SCAAEXBPEGUWEO-AWEZNQCLSA-N -1 1 347.503 3.664 20 0 EHADMM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091019075 1138214981 /nfs/dbraw/zinc/21/49/81/1138214981.db2.gz LMLVPMSUAGVPNW-UHFFFAOYSA-N -1 1 340.832 3.631 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccoc1C1CC1 ZINC000337003954 1138446236 /nfs/dbraw/zinc/44/62/36/1138446236.db2.gz WPVFZTNPULDAGS-UHFFFAOYSA-N -1 1 333.800 3.936 20 0 EHADMM Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000338087422 1138746620 /nfs/dbraw/zinc/74/66/20/1138746620.db2.gz WTTYBGPBZFFOHB-UHFFFAOYSA-N -1 1 327.771 3.996 20 0 EHADMM COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000153102547 1139122809 /nfs/dbraw/zinc/12/28/09/1139122809.db2.gz HXRVJYZCGNKMNM-GFCCVEGCSA-N -1 1 331.799 3.684 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(C)(C)C2)c1 ZINC000174831100 1139445172 /nfs/dbraw/zinc/44/51/72/1139445172.db2.gz AXLOBIPXRKFEKM-UHFFFAOYSA-N -1 1 344.484 3.565 20 0 EHADMM CN(CCCC(=O)Nc1ccc([O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000179012767 1139729929 /nfs/dbraw/zinc/72/99/29/1139729929.db2.gz BUHVBKFEFPTISB-UHFFFAOYSA-N -1 1 342.823 3.631 20 0 EHADMM CCC[C@@H]1CCc2nc(NC([O-])=NO[C@H]3CCCCO3)sc2C1 ZINC000194547510 1140614058 /nfs/dbraw/zinc/61/40/58/1140614058.db2.gz YHPAMJDOQYUSQH-RISCZKNCSA-N -1 1 339.461 3.628 20 0 EHADMM CCC[C@@H]1CCc2nc(NC(=O)[N-]O[C@H]3CCCCO3)sc2C1 ZINC000194547510 1140614061 /nfs/dbraw/zinc/61/40/61/1140614061.db2.gz YHPAMJDOQYUSQH-RISCZKNCSA-N -1 1 339.461 3.628 20 0 EHADMM CCC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000267194546 1140767282 /nfs/dbraw/zinc/76/72/82/1140767282.db2.gz MBWMTSUYUSFMTO-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM COCc1cccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000269504706 1141116903 /nfs/dbraw/zinc/11/69/03/1141116903.db2.gz YELXVRSGPYQXLN-UHFFFAOYSA-N -1 1 346.452 3.503 20 0 EHADMM COCc1cccc(CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000269504706 1141116907 /nfs/dbraw/zinc/11/69/07/1141116907.db2.gz YELXVRSGPYQXLN-UHFFFAOYSA-N -1 1 346.452 3.503 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccnc(-c3ccccc3)c2)c1 ZINC000339168164 1141516035 /nfs/dbraw/zinc/51/60/35/1141516035.db2.gz VXFKFDXFYYFERO-UHFFFAOYSA-N -1 1 347.374 3.665 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Br ZINC000007052508 208576788 /nfs/dbraw/zinc/57/67/88/208576788.db2.gz LGIHFZRFJQMZFK-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM Cc1ccc2snc(C(=O)[N-]c3nnc([C@H]4CCCO4)s3)c2c1 ZINC000636359147 480917048 /nfs/dbraw/zinc/91/70/48/480917048.db2.gz WDQVOOOPDQPAOE-SNVBAGLBSA-N -1 1 346.437 3.560 20 0 EHADMM Cc1cccc([C@H](C)Nc2c3ccccc3nnc2-c2nnn[n-]2)c1C ZINC000737390069 598970194 /nfs/dbraw/zinc/97/01/94/598970194.db2.gz RNBGESKPPWVEPB-ZDUSSCGKSA-N -1 1 345.410 3.600 20 0 EHADMM Cc1cccc([C@H](C)Nc2c3ccccc3nnc2-c2nn[n-]n2)c1C ZINC000737390069 598970195 /nfs/dbraw/zinc/97/01/95/598970195.db2.gz RNBGESKPPWVEPB-ZDUSSCGKSA-N -1 1 345.410 3.600 20 0 EHADMM Clc1ccc(N[C@@H](CC2CC2)c2ccccc2)nc1-c1nnn[n-]1 ZINC000822578848 599053887 /nfs/dbraw/zinc/05/38/87/599053887.db2.gz REXHCZVSXBMFJR-AWEZNQCLSA-N -1 1 340.818 3.868 20 0 EHADMM Clc1ccc(N[C@@H](CC2CC2)c2ccccc2)nc1-c1nn[n-]n1 ZINC000822578848 599053889 /nfs/dbraw/zinc/05/38/89/599053889.db2.gz REXHCZVSXBMFJR-AWEZNQCLSA-N -1 1 340.818 3.868 20 0 EHADMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532712152 597069358 /nfs/dbraw/zinc/06/93/58/597069358.db2.gz RPYGMIPYFWELEV-HOTGVXAUSA-N -1 1 346.471 3.632 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CNc1ccccc1Cc1ccccc1 ZINC000823788099 607311083 /nfs/dbraw/zinc/31/10/83/607311083.db2.gz VHLXXFUFXWQROV-UHFFFAOYSA-N -1 1 331.379 3.663 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CNc1ccccc1Cc1ccccc1 ZINC000823788099 607311084 /nfs/dbraw/zinc/31/10/84/607311084.db2.gz VHLXXFUFXWQROV-UHFFFAOYSA-N -1 1 331.379 3.663 20 0 EHADMM c1csc(-c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000823756566 607313541 /nfs/dbraw/zinc/31/35/41/607313541.db2.gz CCJPZWJOPZKCPS-UHFFFAOYSA-N -1 1 340.437 3.664 20 0 EHADMM CSc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821983906 607314170 /nfs/dbraw/zinc/31/41/70/607314170.db2.gz KJQFWKIODPPVGZ-UHFFFAOYSA-N -1 1 337.861 3.916 20 0 EHADMM Cc1cccc([C@@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)c1C ZINC000822299939 607327351 /nfs/dbraw/zinc/32/73/51/607327351.db2.gz ZRWHSQSVUFBJHR-KRWDZBQOSA-N -1 1 334.427 3.610 20 0 EHADMM Cc1cccc([C@@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)c1C ZINC000822299939 607327352 /nfs/dbraw/zinc/32/73/52/607327352.db2.gz ZRWHSQSVUFBJHR-KRWDZBQOSA-N -1 1 334.427 3.610 20 0 EHADMM Clc1ccc(CCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737577194 598579064 /nfs/dbraw/zinc/57/90/64/598579064.db2.gz UVFHMLXWXMQQGE-UHFFFAOYSA-N -1 1 349.225 3.613 20 0 EHADMM Clc1ccc(CCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737577194 598579066 /nfs/dbraw/zinc/57/90/66/598579066.db2.gz UVFHMLXWXMQQGE-UHFFFAOYSA-N -1 1 349.225 3.613 20 0 EHADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822786543 599494388 /nfs/dbraw/zinc/49/43/88/599494388.db2.gz MIGOBSXBTHPKKM-INIZCTEOSA-N -1 1 346.369 3.653 20 0 EHADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822786543 599494392 /nfs/dbraw/zinc/49/43/92/599494392.db2.gz MIGOBSXBTHPKKM-INIZCTEOSA-N -1 1 346.369 3.653 20 0 EHADMM O=C([O-])[C@H](NCc1cc(F)ccc1F)c1ccccc1C(F)(F)F ZINC000739501810 599792076 /nfs/dbraw/zinc/79/20/76/599792076.db2.gz ZENILXSDGAIOBI-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM CC(C)Oc1ccccc1CN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736493255 599864256 /nfs/dbraw/zinc/86/42/56/599864256.db2.gz QSWCNMGNCAHXNQ-UHFFFAOYSA-N -1 1 349.377 3.839 20 0 EHADMM C[C@@H](CN(Cc1coc(-c2cccc(Cl)c2)n1)C1CC1)C(=O)[O-] ZINC000580440799 599949456 /nfs/dbraw/zinc/94/94/56/599949456.db2.gz RMLOCPQLCKBJGL-NSHDSACASA-N -1 1 334.803 3.680 20 0 EHADMM Cc1oc(CN2CCC(Oc3ccc(C)cc3)CC2)cc1C(=O)[O-] ZINC000569010732 600261934 /nfs/dbraw/zinc/26/19/34/600261934.db2.gz PQMCHFVKVBITCF-UHFFFAOYSA-N -1 1 329.396 3.638 20 0 EHADMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(Cl)cc1Br ZINC000119810521 600283948 /nfs/dbraw/zinc/28/39/48/600283948.db2.gz DALBMYADOTXVPP-LBPRGKRZSA-N -1 1 332.625 3.542 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1coc(-c3cccc(Cl)c3)n1)CC2 ZINC000405358114 600287418 /nfs/dbraw/zinc/28/74/18/600287418.db2.gz LNLZRPZSPZRTMS-HNNXBMFYSA-N -1 1 346.814 3.682 20 0 EHADMM COc1ccc(F)cc1[C@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738016524 600315126 /nfs/dbraw/zinc/31/51/26/600315126.db2.gz CNDQLNYVEPBCQJ-QFYYESIMSA-N -1 1 337.778 3.964 20 0 EHADMM O=C([O-])[C@H]1CCCCN1Cc1cc(Br)ccc1Cl ZINC000158375300 600539836 /nfs/dbraw/zinc/53/98/36/600539836.db2.gz XMIQQINCMXQRNU-GFCCVEGCSA-N -1 1 332.625 3.542 20 0 EHADMM O=C([O-])[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000426795625 600731922 /nfs/dbraw/zinc/73/19/22/600731922.db2.gz YSJPFPUOCHUZGT-AWEZNQCLSA-N -1 1 327.277 3.760 20 0 EHADMM O=C([O-])[C@@H](N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1 ZINC000833168371 600758506 /nfs/dbraw/zinc/75/85/06/600758506.db2.gz XLSKKIOJWWMHOP-JSGCOSHPSA-N -1 1 338.190 3.842 20 0 EHADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1 ZINC000826127457 600896174 /nfs/dbraw/zinc/89/61/74/600896174.db2.gz VJNDVKZZWJIMNL-UHFFFAOYSA-N -1 1 349.390 3.691 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000826051909 601202551 /nfs/dbraw/zinc/20/25/51/601202551.db2.gz DYZPCVVJQBXBBK-LRDDRELGSA-N -1 1 342.420 3.955 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000826055068 601205095 /nfs/dbraw/zinc/20/50/95/601205095.db2.gz VIHAQYWTAZMQDG-IFXJQAMLSA-N -1 1 336.391 3.893 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000826055067 601205120 /nfs/dbraw/zinc/20/51/20/601205120.db2.gz VIHAQYWTAZMQDG-AUUYWEPGSA-N -1 1 336.391 3.893 20 0 EHADMM O=C([O-])CC1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000833213569 601210412 /nfs/dbraw/zinc/21/04/12/601210412.db2.gz WRIPBSIVSFGFTN-UHFFFAOYSA-N -1 1 347.798 3.526 20 0 EHADMM O=C([O-])c1sccc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000575755422 601805220 /nfs/dbraw/zinc/80/52/20/601805220.db2.gz OCXPXVHKBMJDGS-UHFFFAOYSA-N -1 1 329.421 3.541 20 0 EHADMM CCCCCCN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000829357261 601844660 /nfs/dbraw/zinc/84/46/60/601844660.db2.gz MMAZIYIJZDQEDH-MRXNPFEDSA-N -1 1 335.444 3.658 20 0 EHADMM Cc1ccc(-c2nc(CNC[C@@H](NC(=O)[O-])C(C)C)cs2)cc1 ZINC000740092632 602791888 /nfs/dbraw/zinc/79/18/88/602791888.db2.gz OBDPCQKRZHKBFG-OAHLLOKOSA-N -1 1 333.457 3.500 20 0 EHADMM O=C([O-])N(CC1CC1)C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000831825585 604234285 /nfs/dbraw/zinc/23/42/85/604234285.db2.gz BQFVPBFMPOLYBS-UHFFFAOYSA-N -1 1 339.439 3.589 20 0 EHADMM Cc1cc([C@@H](C)N2CCC(C(=O)c3ccccc3)CC2)oc1C(=O)[O-] ZINC000575322689 604381179 /nfs/dbraw/zinc/38/11/79/604381179.db2.gz RBXHFEVCRUWJOJ-CQSZACIVSA-N -1 1 341.407 3.942 20 0 EHADMM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccccc2Br)c[nH]1 ZINC000833778560 604681301 /nfs/dbraw/zinc/68/13/01/604681301.db2.gz BQONMTUEDXYSTO-OAHLLOKOSA-N -1 1 349.228 3.813 20 0 EHADMM CC1(C)C[C@H](NCc2ccc(NC(=O)[O-])nc2)c2ccc(F)cc2O1 ZINC000825706910 604778629 /nfs/dbraw/zinc/77/86/29/604778629.db2.gz KRPRIRYDTMTIQJ-AWEZNQCLSA-N -1 1 345.374 3.703 20 0 EHADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@H]2c2nc3ccccc3o2)O1 ZINC000833585440 605370625 /nfs/dbraw/zinc/37/06/25/605370625.db2.gz SHOJFMDLNCGPFJ-BBRMVZONSA-N -1 1 342.395 3.502 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](C)c1ccccc1 ZINC000820456596 606141795 /nfs/dbraw/zinc/14/17/95/606141795.db2.gz VNRGBXCNWHKSRD-WDEREUQCSA-N -1 1 328.807 3.519 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H](C)c1ccccc1 ZINC000820456596 606141796 /nfs/dbraw/zinc/14/17/96/606141796.db2.gz VNRGBXCNWHKSRD-WDEREUQCSA-N -1 1 328.807 3.519 20 0 EHADMM Cc1cc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c(C)s1 ZINC000822190798 606450548 /nfs/dbraw/zinc/45/05/48/606450548.db2.gz AYWPBIPQIUFCBG-MRVPVSSYSA-N -1 1 334.836 3.767 20 0 EHADMM Cc1cc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c(C)s1 ZINC000822190798 606450549 /nfs/dbraw/zinc/45/05/49/606450549.db2.gz AYWPBIPQIUFCBG-MRVPVSSYSA-N -1 1 334.836 3.767 20 0 EHADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1c(C)noc1C ZINC000825148414 607936546 /nfs/dbraw/zinc/93/65/46/607936546.db2.gz QOHJRJNZJLLDLN-CYBMUJFWSA-N -1 1 349.398 3.583 20 0 EHADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1c(C)noc1C ZINC000825148414 607936547 /nfs/dbraw/zinc/93/65/47/607936547.db2.gz QOHJRJNZJLLDLN-CYBMUJFWSA-N -1 1 349.398 3.583 20 0 EHADMM Cc1ccccc1[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000826305786 608184466 /nfs/dbraw/zinc/18/44/66/608184466.db2.gz IJLCGAAUUOALHO-GFCCVEGCSA-N -1 1 346.847 3.848 20 0 EHADMM Cc1ccccc1[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000826305786 608184467 /nfs/dbraw/zinc/18/44/67/608184467.db2.gz IJLCGAAUUOALHO-GFCCVEGCSA-N -1 1 346.847 3.848 20 0 EHADMM CC(C)(C)c1ccccc1COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001573884286 950792657 /nfs/dbraw/zinc/79/26/57/950792657.db2.gz MCJKLXXPCUOQJR-UHFFFAOYSA-N -1 1 342.424 3.583 20 0 EHADMM CC(C)(C)c1ccccc1COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001573884286 950792674 /nfs/dbraw/zinc/79/26/74/950792674.db2.gz MCJKLXXPCUOQJR-UHFFFAOYSA-N -1 1 342.424 3.583 20 0 EHADMM C[C@@H](C(=O)[O-])N(Cc1cc(Cl)ccc1Br)C1CC1 ZINC000382988144 951232889 /nfs/dbraw/zinc/23/28/89/951232889.db2.gz WZGSMEKGFYDKLB-QMMMGPOBSA-N -1 1 332.625 3.540 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(F)ccc1OC(F)F ZINC000662216329 954386513 /nfs/dbraw/zinc/38/65/13/954386513.db2.gz SEDHLVWFWXTPHF-ZDUSSCGKSA-N -1 1 331.334 3.646 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](NCc2conc2Cc2ccccc2)c2ccccc21 ZINC001594899178 954603609 /nfs/dbraw/zinc/60/36/09/954603609.db2.gz BOKFBMJOLGMIRU-QUCCMNQESA-N -1 1 348.402 3.668 20 0 EHADMM O=C([O-])[C@@H]1CCCN(c2ccc(CNCc3ccc(Cl)cc3)o2)C1 ZINC001594917648 954774484 /nfs/dbraw/zinc/77/44/84/954774484.db2.gz VNDDVJDMTIDNNH-CQSZACIVSA-N -1 1 348.830 3.524 20 0 EHADMM Cc1ccccc1[C@@H](C)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904204951 956924798 /nfs/dbraw/zinc/92/47/98/956924798.db2.gz NIWHMHNUHNPONX-OAHLLOKOSA-N -1 1 342.439 3.740 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000923469749 957116519 /nfs/dbraw/zinc/11/65/19/957116519.db2.gz FGWVQCLZCUDCOC-CYBMUJFWSA-N -1 1 336.379 3.547 20 0 EHADMM CC(C)(NCc1ccc(C(=O)[O-])o1)c1ccc(Br)cc1 ZINC000071381327 957723685 /nfs/dbraw/zinc/72/36/85/957723685.db2.gz IYRUJXYBIPDRKG-UHFFFAOYSA-N -1 1 338.201 3.765 20 0 EHADMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Br)cc1Cl ZINC000168221225 959374595 /nfs/dbraw/zinc/37/45/95/959374595.db2.gz RDEMLFONRUFQBO-NSHDSACASA-N -1 1 332.625 3.542 20 0 EHADMM CC(C)Oc1cc(Cl)c(CN2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001588936400 962505681 /nfs/dbraw/zinc/50/56/81/962505681.db2.gz PNJGOEDMWMPPHG-SNVBAGLBSA-N -1 1 332.227 3.687 20 0 EHADMM C[C@H]1CN(Cc2cc(Br)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311406538 967950305 /nfs/dbraw/zinc/95/03/05/967950305.db2.gz XBHUPVSEWMDEMG-JOYOIKCWSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@H]1CCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629358252 968521719 /nfs/dbraw/zinc/52/17/19/968521719.db2.gz CKUQJLIVKNRKEX-VIFPVBQESA-N -1 1 341.194 3.555 20 0 EHADMM CCCCn1nc(C)c(CNCc2ccccc2C(=O)[O-])c1Cl ZINC000874043814 969363895 /nfs/dbraw/zinc/36/38/95/969363895.db2.gz VOXFNDSBZCMZLM-UHFFFAOYSA-N -1 1 335.835 3.633 20 0 EHADMM O=C([O-])C1CCN(c2ccc(CN3CC[C@@H]3c3ccccc3)o2)CC1 ZINC000904189138 969598097 /nfs/dbraw/zinc/59/80/97/969598097.db2.gz BOXITJHSPZWFNN-GOSISDBHSA-N -1 1 340.423 3.528 20 0 EHADMM Cc1cccc([C@@H](NCc2ccc(Cl)nc2Cl)C(=O)[O-])c1 ZINC001605332013 973213246 /nfs/dbraw/zinc/21/32/46/973213246.db2.gz ZQCSECKEOUCJFH-CYBMUJFWSA-N -1 1 325.195 3.612 20 0 EHADMM O=C([O-])c1ccc(CNCc2cc(C(F)(F)F)ccc2F)cc1 ZINC000426684049 974044768 /nfs/dbraw/zinc/04/47/68/974044768.db2.gz WWXHYACNYWZNPM-UHFFFAOYSA-N -1 1 327.277 3.833 20 0 EHADMM CCc1ccc(-c2noc([C@H](C)NCCC3(C(=O)[O-])CCC3)n2)cc1 ZINC001603969479 974456612 /nfs/dbraw/zinc/45/66/12/974456612.db2.gz LHRZAYTXOSRDDK-ZDUSSCGKSA-N -1 1 343.427 3.595 20 0 EHADMM Cc1oc(CN(C)Cc2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000566358910 974607325 /nfs/dbraw/zinc/60/73/25/974607325.db2.gz OGCYQHZOQLPXBA-UHFFFAOYSA-N -1 1 325.311 3.520 20 0 EHADMM Cc1ccc(C)c(OC2CCN(Cc3ccc(C(=O)[O-])o3)CC2)c1 ZINC000580778840 974899953 /nfs/dbraw/zinc/89/99/53/974899953.db2.gz QVPCPEREMMAEAW-UHFFFAOYSA-N -1 1 329.396 3.638 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2csc(C(=O)[O-])c2)cc1OC ZINC000652385129 975518421 /nfs/dbraw/zinc/51/84/21/975518421.db2.gz GUXAWGBSNULMAG-CQSZACIVSA-N -1 1 347.436 3.801 20 0 EHADMM CC(C)Oc1ccccc1[C@H](C)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001591795882 976003248 /nfs/dbraw/zinc/00/32/48/976003248.db2.gz RKUNITWSTRGUIR-ZFWWWQNUSA-N -1 1 343.427 3.554 20 0 EHADMM CCc1nc(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)[n-]c(=O)c1C ZINC000579734747 1014335388 /nfs/dbraw/zinc/33/53/88/1014335388.db2.gz OIRQPRWDSJNULH-CYBMUJFWSA-N -1 1 345.468 3.789 20 0 EHADMM CCc1nc(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)[n-]c(=O)c1C ZINC000579734748 1014336208 /nfs/dbraw/zinc/33/62/08/1014336208.db2.gz OIRQPRWDSJNULH-ZDUSSCGKSA-N -1 1 345.468 3.789 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)[nH]n2)o1 ZINC000738488384 978547299 /nfs/dbraw/zinc/54/72/99/978547299.db2.gz MLTRHUMZIBLBLH-UHFFFAOYSA-N -1 1 345.742 3.582 20 0 EHADMM O=C([O-])[C@H](NCc1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000756349843 978698857 /nfs/dbraw/zinc/69/88/57/978698857.db2.gz NITMCXLHUQZHAN-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1Cl ZINC000827718811 978964331 /nfs/dbraw/zinc/96/43/31/978964331.db2.gz YKNGRUDMBVDEOB-OTYXRUKQSA-N -1 1 325.195 3.865 20 0 EHADMM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1ccc(Cl)c(Cl)c1 ZINC000900068417 980240888 /nfs/dbraw/zinc/24/08/88/980240888.db2.gz HKNBKFGORIKFBI-LBPRGKRZSA-N -1 1 340.210 3.513 20 0 EHADMM CC[C@@](NCc1ccc(C(F)(F)F)cn1)(C(=O)[O-])c1ccccc1 ZINC001595299585 980428574 /nfs/dbraw/zinc/42/85/74/980428574.db2.gz ZBCLJYQPPHKMEK-INIZCTEOSA-N -1 1 338.329 3.580 20 0 EHADMM CC[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC001595304275 980438974 /nfs/dbraw/zinc/43/89/74/980438974.db2.gz CTUUEEGEIZJNPM-CQSZACIVSA-N -1 1 336.338 3.622 20 0 EHADMM CO[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)[C@H](C(=O)[O-])C1 ZINC000902031885 980703356 /nfs/dbraw/zinc/70/33/56/980703356.db2.gz IDEQSFQUPYFHOU-ZBFHGGJFSA-N -1 1 349.427 3.618 20 0 EHADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1scnc1C1CC1 ZINC000902048556 980712812 /nfs/dbraw/zinc/71/28/12/980712812.db2.gz XGAPOTFYBNYIAB-GJZGRUSLSA-N -1 1 328.437 3.811 20 0 EHADMM Cc1ccc2c(c1C)OC[C@@H]2NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902220991 980787946 /nfs/dbraw/zinc/78/79/46/980787946.db2.gz BZVJSIFQUMXZES-INIZCTEOSA-N -1 1 331.799 3.878 20 0 EHADMM COc1cccc(C2(NCc3ccc(C(=O)[O-])c(Cl)c3)CC2)c1 ZINC000902309703 980827208 /nfs/dbraw/zinc/82/72/08/980827208.db2.gz VGWGWULNXGDGSX-UHFFFAOYSA-N -1 1 331.799 3.826 20 0 EHADMM Cc1oc(CNCc2ccc(C(F)(F)F)cc2C)cc1C(=O)[O-] ZINC000902342459 980840865 /nfs/dbraw/zinc/84/08/65/980840865.db2.gz UZXJKMAYOCDLJW-UHFFFAOYSA-N -1 1 327.302 3.903 20 0 EHADMM Cc1oc(CNC[C@H](c2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC000902342610 980841759 /nfs/dbraw/zinc/84/17/59/980841759.db2.gz JYPNCCSIHYTHAW-CQSZACIVSA-N -1 1 327.302 3.722 20 0 EHADMM C[C@H](Oc1ccc(CNCc2ccc(C3CC3)cc2F)cc1)C(=O)[O-] ZINC000902351954 980845832 /nfs/dbraw/zinc/84/58/32/980845832.db2.gz XCTJYETXVCQLEQ-ZDUSSCGKSA-N -1 1 343.398 3.845 20 0 EHADMM CC1(C)C[C@H](NCc2cc(C(=O)[O-])cs2)c2cc(F)ccc2O1 ZINC000902470864 980902214 /nfs/dbraw/zinc/90/22/14/980902214.db2.gz ROSPMSUGVLODBA-AWEZNQCLSA-N -1 1 335.400 3.977 20 0 EHADMM O=C([O-])c1cncc(CN2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000903907731 981032552 /nfs/dbraw/zinc/03/25/52/981032552.db2.gz RWAUGMBWJFXBJF-GOSISDBHSA-N -1 1 346.377 3.842 20 0 EHADMM Cc1cc(CN2CCC[C@]3(C=Cc4ccccc4O3)C2)oc1C(=O)[O-] ZINC000905778908 981149998 /nfs/dbraw/zinc/14/99/98/981149998.db2.gz YUNICUSCJGPZRK-FQEVSTJZSA-N -1 1 339.391 3.727 20 0 EHADMM C[C@@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1cc2ccccc2o1 ZINC000905798029 981155930 /nfs/dbraw/zinc/15/59/30/981155930.db2.gz YQLWSCANDGFDEO-YPMHNXCESA-N -1 1 325.368 3.513 20 0 EHADMM C[C@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1cc2ccccc2o1 ZINC000905798017 981156054 /nfs/dbraw/zinc/15/60/54/981156054.db2.gz YQLWSCANDGFDEO-AAEUAGOBSA-N -1 1 325.368 3.513 20 0 EHADMM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001625792310 1014760269 /nfs/dbraw/zinc/76/02/69/1014760269.db2.gz DGOWXMNLYSATOY-ZFWWWQNUSA-N -1 1 345.361 3.735 20 0 EHADMM CCCC[C@@H](C(=O)[O-])N1CCc2cc(Br)cc(F)c2C1 ZINC001595628099 981780520 /nfs/dbraw/zinc/78/05/20/981780520.db2.gz KPOHXJOQBUZBRJ-AWEZNQCLSA-N -1 1 344.224 3.590 20 0 EHADMM CCCC[C@H](C(=O)[O-])N1CCc2cc(Br)cc(F)c2C1 ZINC001595628100 981780638 /nfs/dbraw/zinc/78/06/38/981780638.db2.gz KPOHXJOQBUZBRJ-CQSZACIVSA-N -1 1 344.224 3.590 20 0 EHADMM CCCC[C@H](C(=O)[O-])N1CCc2sc(Br)cc2C1 ZINC001595628130 981782074 /nfs/dbraw/zinc/78/20/74/981782074.db2.gz LMIPCMHECPJBFX-SNVBAGLBSA-N -1 1 332.263 3.512 20 0 EHADMM CCN(CCc1cccs1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001596352796 983813398 /nfs/dbraw/zinc/81/33/98/983813398.db2.gz VPIALWHSKAUDHX-CYBMUJFWSA-N -1 1 348.468 3.527 20 0 EHADMM C/C(=C/CN(Cc1cc(Br)ccc1F)C(C)C)C(=O)[O-] ZINC001588958314 984711666 /nfs/dbraw/zinc/71/16/66/984711666.db2.gz DUUVRRZVBYCWAZ-WDZFZDKYSA-N -1 1 344.224 3.830 20 0 EHADMM Cc1[nH]c2ccc(CN[C@H](C(=O)[O-])c3ccccc3F)cc2c1C ZINC001599964941 985883562 /nfs/dbraw/zinc/88/35/62/985883562.db2.gz CGZARKKPEIQKLJ-SFHVURJKSA-N -1 1 326.371 3.839 20 0 EHADMM Cc1[nH]c2ccccc2c1C1=CCN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001599965388 985894675 /nfs/dbraw/zinc/89/46/75/985894675.db2.gz JIEXHHROKQSSOG-UHFFFAOYSA-N -1 1 349.434 3.802 20 0 EHADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])n2C)CCc2ccc(Cl)cc21 ZINC001594536575 986153724 /nfs/dbraw/zinc/15/37/24/986153724.db2.gz DUSODWGENCSOGN-GFCCVEGCSA-N -1 1 332.831 3.539 20 0 EHADMM CCOc1ccccc1[C@H](CC)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001597172774 987007427 /nfs/dbraw/zinc/00/74/27/987007427.db2.gz JUHIMUHNHUCOOH-LSDHHAIUSA-N -1 1 343.427 3.556 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2c(Cl)ccnc2Cl)C1 ZINC001589616066 987474144 /nfs/dbraw/zinc/47/41/44/987474144.db2.gz CRTDUWOQIRGJAO-SNVBAGLBSA-N -1 1 331.243 3.711 20 0 EHADMM CCc1ccc(-c2n[nH]c(SCc3cc(C(=O)[O-])c(C)o3)n2)cc1 ZINC001597491411 988016991 /nfs/dbraw/zinc/01/69/91/988016991.db2.gz CQWXTWYITYRXNN-UHFFFAOYSA-N -1 1 343.408 3.926 20 0 EHADMM CSCCCCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001599797722 988124916 /nfs/dbraw/zinc/12/49/16/988124916.db2.gz UFLVDVYZBQTXEU-UHFFFAOYSA-N -1 1 335.429 3.513 20 0 EHADMM CCc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C(=O)[O-])n2C)o1 ZINC001597518255 988137106 /nfs/dbraw/zinc/13/71/06/988137106.db2.gz RXXUDEKHVWEZCG-CXAGYDPISA-N -1 1 330.428 3.852 20 0 EHADMM COc1ccccc1[C@@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)OC(C)C ZINC001599699450 991196450 /nfs/dbraw/zinc/19/64/50/991196450.db2.gz YRWBLJMPVNUKLY-SCLBCKFNSA-N -1 1 347.411 3.803 20 0 EHADMM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cncc([O-])c1 ZINC000339813456 1015696005 /nfs/dbraw/zinc/69/60/05/1015696005.db2.gz HFCLEMDCKFNQCU-UHFFFAOYSA-N -1 1 349.228 3.601 20 0 EHADMM CN(CCSc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cn1 ZINC001598500714 992433369 /nfs/dbraw/zinc/43/33/69/992433369.db2.gz UNEJUIWBWFRWJY-UHFFFAOYSA-N -1 1 336.844 3.657 20 0 EHADMM CC(C)Cc1ccc([C@H](NCc2cnc(C(=O)[O-])cn2)C(C)C)cc1 ZINC001591484295 992610091 /nfs/dbraw/zinc/61/00/91/992610091.db2.gz MUFYKUKPGMAIBH-LJQANCHMSA-N -1 1 341.455 3.860 20 0 EHADMM CC(C)Cc1ccccc1CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001591490600 992623286 /nfs/dbraw/zinc/62/32/86/992623286.db2.gz BUJGPQXIVLYATE-UHFFFAOYSA-N -1 1 339.435 3.978 20 0 EHADMM CN(Cc1cccc(F)c1OC(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598526116 992723537 /nfs/dbraw/zinc/72/35/37/992723537.db2.gz LIUHLQIWOSWCCA-CQSZACIVSA-N -1 1 339.313 3.685 20 0 EHADMM COc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001599584886 993599483 /nfs/dbraw/zinc/59/94/83/993599483.db2.gz WRUOYYAMBWTGGV-IBGZPJMESA-N -1 1 339.366 3.903 20 0 EHADMM CN1CCN(Cc2cc(C(=O)[O-])ccc2Cl)[C@@H](c2ccccc2)C1 ZINC001598619954 993985763 /nfs/dbraw/zinc/98/57/63/993985763.db2.gz UFQFGMISRHEPLE-GOSISDBHSA-N -1 1 344.842 3.527 20 0 EHADMM COc1cccc([C@@H](C(=O)[O-])N2CCc3c(Cl)cccc3C2)c1 ZINC001599650396 994489880 /nfs/dbraw/zinc/48/98/80/994489880.db2.gz LPANHMXAPDIXSM-KRWDZBQOSA-N -1 1 331.799 3.533 20 0 EHADMM Cc1cccc(Oc2cc(CNC(=O)c3cncc([O-])c3)ccn2)c1C ZINC000339899937 1015866056 /nfs/dbraw/zinc/86/60/56/1015866056.db2.gz YJZOBJBAWRIEJM-UHFFFAOYSA-N -1 1 349.390 3.521 20 0 EHADMM C[C@H](Oc1ccccc1CN1CCSC2(CCCCC2)C1)C(=O)[O-] ZINC001593646396 995984087 /nfs/dbraw/zinc/98/40/87/995984087.db2.gz QWRUCAJTENCYBL-HNNXBMFYSA-N -1 1 349.496 3.790 20 0 EHADMM C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccc(C(=O)[O-])o1 ZINC001593678690 996094291 /nfs/dbraw/zinc/09/42/91/996094291.db2.gz XDVPQXMJKVFWMW-QMMMGPOBSA-N -1 1 333.344 3.755 20 0 EHADMM COC[C@H](NCc1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001599177180 996871586 /nfs/dbraw/zinc/87/15/86/996871586.db2.gz MXNLGMKAKJFASG-KRWDZBQOSA-N -1 1 333.815 3.824 20 0 EHADMM CC1(C)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCS1 ZINC001593940452 996948282 /nfs/dbraw/zinc/94/82/82/996948282.db2.gz LHVCKSMCFDYLRM-GFCCVEGCSA-N -1 1 334.268 3.947 20 0 EHADMM COc1cc2c(cc1Cl)CN([C@@H](C(=O)[O-])c1ccccc1C)CC2 ZINC001599463152 998309901 /nfs/dbraw/zinc/30/99/01/998309901.db2.gz IMCCVPWIKITLIW-GOSISDBHSA-N -1 1 345.826 3.841 20 0 EHADMM C[C@@H]1C[C@@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000683359179 1016338813 /nfs/dbraw/zinc/33/88/13/1016338813.db2.gz MANRDYXEAGPGTK-RITPCOANSA-N -1 1 349.022 3.512 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc(Cl)cc1 ZINC000000143544 1016618605 /nfs/dbraw/zinc/61/86/05/1016618605.db2.gz LYLYAAFHKLTWCC-UHFFFAOYSA-N -1 1 334.784 3.796 20 0 EHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000181118206 1016911199 /nfs/dbraw/zinc/91/11/99/1016911199.db2.gz BBJWAEWEQCYGSJ-VIFPVBQESA-N -1 1 343.276 3.921 20 0 EHADMM COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(F)cc1[O-] ZINC000340329894 1016954271 /nfs/dbraw/zinc/95/42/71/1016954271.db2.gz NFLDSQONVQKJJR-UHFFFAOYSA-N -1 1 338.766 3.634 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1F ZINC000468548882 1017053614 /nfs/dbraw/zinc/05/36/14/1017053614.db2.gz QUBWJAPVBOTAKS-UHFFFAOYSA-N -1 1 341.379 3.898 20 0 EHADMM Cn1ccc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)n1 ZINC000904876218 1032279683 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CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436916455 1021373650 /nfs/dbraw/zinc/37/36/50/1021373650.db2.gz WKLCVQXBMYEXHN-ZWKOTPCHSA-N -1 1 343.398 3.645 20 0 EHADMM CC[C@H](C)Oc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)ccn1 ZINC000436942308 1021404148 /nfs/dbraw/zinc/40/41/48/1021404148.db2.gz HRDLULQXQHCZMD-JTQLQIEISA-N -1 1 329.331 3.821 20 0 EHADMM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1c([O-])cccc1F ZINC000436966483 1021415370 /nfs/dbraw/zinc/41/53/70/1021415370.db2.gz UYOLCJJJSSLZDA-UHFFFAOYSA-N -1 1 349.789 3.620 20 0 EHADMM Cc1cc(C)cc(C2=CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436993369 1021448203 /nfs/dbraw/zinc/44/82/03/1021448203.db2.gz BKOZUOFLEAWDTF-UHFFFAOYSA-N -1 1 335.403 3.508 20 0 EHADMM CC1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC1 ZINC000167420414 1021463986 /nfs/dbraw/zinc/46/39/86/1021463986.db2.gz NEIVAOGGICNUEL-UHFFFAOYSA-N -1 1 327.755 3.580 20 0 EHADMM Cc1ccccc1[C@@H]1CN(CC[C@@H](C(=O)[O-])c2ccccc2)CCO1 ZINC000581731568 1021647748 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Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000440122300 1021961496 /nfs/dbraw/zinc/96/14/96/1021961496.db2.gz VPIKVCPIMICNNW-ZIAGYGMSSA-N -1 1 339.420 3.894 20 0 EHADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc4[nH]ccc43)ccc2O1 ZINC000440289497 1022067931 /nfs/dbraw/zinc/06/79/31/1022067931.db2.gz CHMCVGUZDXEXDE-UHFFFAOYSA-N -1 1 342.420 3.682 20 0 EHADMM O=C(Nc1ccccc1NC(=O)c1ccccc1[O-])c1cccs1 ZINC000102306498 1022300533 /nfs/dbraw/zinc/30/05/33/1022300533.db2.gz CLDSMRMNWPCMPQ-UHFFFAOYSA-N -1 1 338.388 3.958 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000425943148 1022349919 /nfs/dbraw/zinc/34/99/19/1022349919.db2.gz PVYWRDDXZTXKTB-UHFFFAOYSA-N -1 1 347.436 3.725 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)sc1Cl ZINC000473951105 1022379933 /nfs/dbraw/zinc/37/99/33/1022379933.db2.gz QZOJFRWYUZNMPI-MRVPVSSYSA-N -1 1 329.821 3.566 20 0 EHADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1c1cccc(Br)c1 ZINC000188477857 1022569845 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O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1 ZINC000426776616 1023038342 /nfs/dbraw/zinc/03/83/42/1023038342.db2.gz GWZWVOYBUVLOJX-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(Br)c2)o1 ZINC000426792048 1023049411 /nfs/dbraw/zinc/04/94/11/1023049411.db2.gz LBJFJUFGZYFVLW-ZDUSSCGKSA-N -1 1 338.201 3.656 20 0 EHADMM COc1ccc([C@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc1F ZINC000426796941 1023054379 /nfs/dbraw/zinc/05/43/79/1023054379.db2.gz CQZQSDJUCWQNAF-HNNXBMFYSA-N -1 1 341.741 3.542 20 0 EHADMM Cc1cccc(NC(=O)CN(C)Cc2cccc([O-])c2Cl)c1C ZINC000506978544 1023058415 /nfs/dbraw/zinc/05/84/15/1023058415.db2.gz JUHPHUBBLGAGJY-UHFFFAOYSA-N -1 1 332.831 3.733 20 0 EHADMM Cc1c(NC(=O)c2csc(=NC3CC3)[n-]2)cccc1C(F)(F)F ZINC000426995736 1023150974 /nfs/dbraw/zinc/15/09/74/1023150974.db2.gz TVUDUURAUCVPLH-UHFFFAOYSA-N -1 1 341.358 3.719 20 0 EHADMM Cc1cnc(C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c([O-])c1 ZINC000427005793 1023154019 /nfs/dbraw/zinc/15/40/19/1023154019.db2.gz ANXVHTNGACZCHA-UHFFFAOYSA-N -1 1 346.377 3.959 20 0 EHADMM C[C@@H](c1ccc(Br)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000427164577 1023252881 /nfs/dbraw/zinc/25/28/81/1023252881.db2.gz XCTIWNSKOVRQAM-JTQLQIEISA-N -1 1 341.226 3.690 20 0 EHADMM Cc1cnc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c([O-])c1 ZINC000427178101 1023259554 /nfs/dbraw/zinc/25/95/54/1023259554.db2.gz KIQUZFSNKCCZPX-OAQYLSRUSA-N -1 1 336.435 3.606 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cc(Cl)c1[O-] ZINC000424978534 1023277129 /nfs/dbraw/zinc/27/71/29/1023277129.db2.gz XADICTSGJCCNJY-CRAIPNDOSA-N -1 1 349.789 3.811 20 0 EHADMM CC[C@@](NCc1cccc([O-])c1Cl)(C(=O)OC)c1ccccc1 ZINC000602730199 1033119779 /nfs/dbraw/zinc/11/97/79/1033119779.db2.gz DHLUBMCCEVXPMG-SFHVURJKSA-N -1 1 333.815 3.614 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1cccc2ccccc21 ZINC000132882754 1023458991 /nfs/dbraw/zinc/45/89/91/1023458991.db2.gz CAHSVJQHGSZCHZ-UHFFFAOYSA-N -1 1 325.389 3.671 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000535794542 1023642137 /nfs/dbraw/zinc/64/21/37/1023642137.db2.gz FORDZFLVSATUKJ-MRXNPFEDSA-N -1 1 331.362 3.908 20 0 EHADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000443943718 1024142416 /nfs/dbraw/zinc/14/24/16/1024142416.db2.gz LWVBLZBBADQOSN-GZMMTYOYSA-N -1 1 329.771 3.595 20 0 EHADMM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001211889361 1024310710 /nfs/dbraw/zinc/31/07/10/1024310710.db2.gz BDZUTDPOKPDDDK-RYUDHWBXSA-N -1 1 325.405 3.677 20 0 EHADMM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000522365182 1024352338 /nfs/dbraw/zinc/35/23/38/1024352338.db2.gz OCXAUOGMLHPCRT-UHFFFAOYSA-N -1 1 333.453 3.848 20 0 EHADMM Cc1c(=O)[n-]c(SCCO[C@H]2CC2(F)F)nc1-c1ccccc1 ZINC000657256477 1024373461 /nfs/dbraw/zinc/37/34/61/1024373461.db2.gz CLTOUVOBVCJEHO-LBPRGKRZSA-N -1 1 338.379 3.674 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H](C)c1ccccc1 ZINC000474199176 1024568777 /nfs/dbraw/zinc/56/87/77/1024568777.db2.gz PMUWPJASAJDNMZ-GHMZBOCLSA-N -1 1 343.370 3.574 20 0 EHADMM CC(C)Oc1ncccc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000611906976 1033227150 /nfs/dbraw/zinc/22/71/50/1033227150.db2.gz FDHOMHHNEMCZPM-UHFFFAOYSA-N -1 1 336.391 3.658 20 0 EHADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)sc1C ZINC000435220662 1024703753 /nfs/dbraw/zinc/70/37/53/1024703753.db2.gz QVKGPXMQPDNGBE-QMMMGPOBSA-N -1 1 348.852 3.592 20 0 EHADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1Br ZINC000507934112 1024772253 /nfs/dbraw/zinc/77/22/53/1024772253.db2.gz DANQLIBWLCVAGA-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM O=S(=O)([N-]c1cccc2c1CCCC2)c1cccc2ncccc21 ZINC000508033275 1024842796 /nfs/dbraw/zinc/84/27/96/1024842796.db2.gz RICWHVFTUOEBRV-UHFFFAOYSA-N -1 1 338.432 3.914 20 0 EHADMM Cn1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1C1CCC1 ZINC000449805379 1033260608 /nfs/dbraw/zinc/26/06/08/1033260608.db2.gz VRBIQHXGZAFRPA-UHFFFAOYSA-N -1 1 336.395 3.641 20 0 EHADMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc(C3CC3)on2)s1 ZINC000346853883 1025243959 /nfs/dbraw/zinc/24/39/59/1025243959.db2.gz XWSHQGOYVRFDKA-UHFFFAOYSA-N -1 1 344.371 3.770 20 0 EHADMM CCn1ncc2ccc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)cc21 ZINC000442658697 1025413150 /nfs/dbraw/zinc/41/31/50/1025413150.db2.gz PQMCQXSGCDDGBJ-UHFFFAOYSA-N -1 1 345.786 3.676 20 0 EHADMM CC(C)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N1CCCC[C@H]1C ZINC000436255331 1025512811 /nfs/dbraw/zinc/51/28/11/1025512811.db2.gz UURUEDZPNJNAFJ-MLGOLLRUSA-N -1 1 349.500 3.577 20 0 EHADMM COc1cc(C(=O)N[C@H]2COc3c2ccc(C)c3C)cc(Cl)c1[O-] ZINC000442955926 1025606228 /nfs/dbraw/zinc/60/62/28/1025606228.db2.gz MQVOYSXXCBSTSQ-AWEZNQCLSA-N -1 1 347.798 3.535 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000442961714 1025623484 /nfs/dbraw/zinc/62/34/84/1025623484.db2.gz ZOPFBIXFZCCNJA-YPMHNXCESA-N -1 1 325.836 3.999 20 0 EHADMM COc1cc(C(=O)NC2(Cc3ccccc3)CCC2)cc(Cl)c1[O-] ZINC000443056081 1025693088 /nfs/dbraw/zinc/69/30/88/1025693088.db2.gz GARMCRWHXQMAEV-UHFFFAOYSA-N -1 1 345.826 3.949 20 0 EHADMM Cc1nc(=O)[n-]c(O[C@@H](C)c2ccc(F)cc2)c1Br ZINC001226783712 1025740748 /nfs/dbraw/zinc/74/07/48/1025740748.db2.gz ZFUDVTAXPXKIAP-QMMMGPOBSA-N -1 1 327.153 3.532 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)c(C)c1 ZINC000436476331 1025771678 /nfs/dbraw/zinc/77/16/78/1025771678.db2.gz DUGDMBDLIYVJSF-UHFFFAOYSA-N -1 1 345.342 3.829 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2cccc(Cl)c2)c1 ZINC000436503843 1025794947 /nfs/dbraw/zinc/79/49/47/1025794947.db2.gz LEKREMCZEUVIAP-SNVBAGLBSA-N -1 1 333.771 3.574 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](c2ccccc2)C(C)C)c1 ZINC000436514007 1025811275 /nfs/dbraw/zinc/81/12/75/1025811275.db2.gz OQFCKVAYUICGPJ-QGZVFWFLSA-N -1 1 327.380 3.557 20 0 EHADMM COc1cc(C(=O)NCc2ccc(Cl)cc2F)cc(Cl)c1[O-] ZINC000443208954 1025814767 /nfs/dbraw/zinc/81/47/67/1025814767.db2.gz CYWAALQKGZUBRE-UHFFFAOYSA-N -1 1 344.169 3.777 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2occc2-c2ccccc2)c1 ZINC000436502824 1025818303 /nfs/dbraw/zinc/81/83/03/1025818303.db2.gz DQOGNDBOMXGMGB-UHFFFAOYSA-N -1 1 337.331 3.691 20 0 EHADMM OC[C@H]([N-]c1nc(C2CCC2)no1)c1cccc(Cl)c1Cl ZINC000664564816 1025818383 /nfs/dbraw/zinc/81/83/83/1025818383.db2.gz JLQOUTJXSBRWIR-NSHDSACASA-N -1 1 328.199 3.789 20 0 EHADMM CCCN(C(=O)c1ccc2ccccc2c1[O-])[C@@H](CC)C(=O)OCC ZINC000436524005 1025828998 /nfs/dbraw/zinc/82/89/98/1025828998.db2.gz XVXJOPNDPOGRDX-KRWDZBQOSA-N -1 1 343.423 3.739 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000436518800 1025848797 /nfs/dbraw/zinc/84/87/97/1025848797.db2.gz LQAHTJNBIWMFAP-UHFFFAOYSA-N -1 1 345.782 3.503 20 0 EHADMM COc1ccccc1-c1csc(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000436554826 1025863065 /nfs/dbraw/zinc/86/30/65/1025863065.db2.gz MFRWFOIWPAVZSR-UHFFFAOYSA-N -1 1 344.367 3.916 20 0 EHADMM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccccc1[O-] ZINC000436544458 1025879486 /nfs/dbraw/zinc/87/94/86/1025879486.db2.gz PBPAYIWQOWQZJT-UHFFFAOYSA-N -1 1 343.383 3.668 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCOC2(CCCCC2)C1 ZINC000436591805 1025908742 /nfs/dbraw/zinc/90/87/42/1025908742.db2.gz YINLKAMKPOIHOV-UHFFFAOYSA-N -1 1 325.408 3.721 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)CCc2ccc(C)o2)cc(Cl)c1[O-] ZINC000443323402 1025914576 /nfs/dbraw/zinc/91/45/76/1025914576.db2.gz RMRSFXZKJXQSKG-JTQLQIEISA-N -1 1 337.803 3.707 20 0 EHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(N2CCCC2)c1 ZINC000436585780 1025923594 /nfs/dbraw/zinc/92/35/94/1025923594.db2.gz QQZUCGOPESMKDA-CYBMUJFWSA-N -1 1 328.387 3.623 20 0 EHADMM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1ccc([O-])cc1F ZINC000436602724 1025933655 /nfs/dbraw/zinc/93/36/55/1025933655.db2.gz GFFULDVTVAPHKZ-UHFFFAOYSA-N -1 1 337.753 3.942 20 0 EHADMM CCOc1cc(-c2nc(-c3ccnc(OC)c3)no2)cc(Cl)c1[O-] ZINC000191173587 1025971152 /nfs/dbraw/zinc/97/11/52/1025971152.db2.gz ORACLQKTFVTOJS-UHFFFAOYSA-N -1 1 347.758 3.565 20 0 EHADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)n1 ZINC000443397663 1025993539 /nfs/dbraw/zinc/99/35/39/1025993539.db2.gz GWEPCLGWTMXLJW-UHFFFAOYSA-N -1 1 330.434 3.919 20 0 EHADMM CCc1cccc(Cl)c1CN=c1[n-]ncn1Cc1ccccc1 ZINC000530542946 1025998745 /nfs/dbraw/zinc/99/87/45/1025998745.db2.gz NGIACSRVBZYCGI-UHFFFAOYSA-N -1 1 326.831 3.576 20 0 EHADMM COc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1F ZINC000436671576 1026011736 /nfs/dbraw/zinc/01/17/36/1026011736.db2.gz AFCUUULEOKVCAA-UHFFFAOYSA-N -1 1 325.339 3.623 20 0 EHADMM Cc1nc(SCC(=O)C2(c3ccccc3)CC2)[n-]c(=O)c1C1CC1 ZINC000631022850 1026013353 /nfs/dbraw/zinc/01/33/53/1026013353.db2.gz AYRNPIWFDHUOJW-UHFFFAOYSA-N -1 1 340.448 3.761 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C(C)C)c(O)cc2C)c1 ZINC000436671305 1026014075 /nfs/dbraw/zinc/01/40/75/1026014075.db2.gz KELPFELQKSHAEJ-UHFFFAOYSA-N -1 1 343.379 3.569 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(SC)c2C)c1 ZINC000443413236 1026014774 /nfs/dbraw/zinc/01/47/74/1026014774.db2.gz BPAISGWEDCJPBG-UHFFFAOYSA-N -1 1 337.466 3.916 20 0 EHADMM CC(C)[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000436673509 1026016599 /nfs/dbraw/zinc/01/65/99/1026016599.db2.gz RESULVYAAMBCRF-QGZVFWFLSA-N -1 1 345.826 3.784 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000024578593 1026024665 /nfs/dbraw/zinc/02/46/65/1026024665.db2.gz YWJAULXTKHOGKE-UHFFFAOYSA-N -1 1 348.424 3.897 20 0 EHADMM Cc1nc(-c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2Cl)n[nH]1 ZINC000436680605 1026030718 /nfs/dbraw/zinc/03/07/18/1026030718.db2.gz KPCXAXNFWJOOEL-UHFFFAOYSA-N -1 1 346.749 3.531 20 0 EHADMM [O-]c1ccc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)c(F)c1 ZINC000436690508 1026048546 /nfs/dbraw/zinc/04/85/46/1026048546.db2.gz RDXAXVSUHIOEQT-UHFFFAOYSA-N -1 1 334.310 3.705 20 0 EHADMM [O-]c1ccc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)c(F)c1 ZINC000436691985 1026048684 /nfs/dbraw/zinc/04/86/84/1026048684.db2.gz VZRFHXGMYIMUEL-UHFFFAOYSA-N -1 1 327.315 3.575 20 0 EHADMM [O-]c1ccc(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)c(F)c1 ZINC000436692231 1026051843 /nfs/dbraw/zinc/05/18/43/1026051843.db2.gz XCGQLUSIGXPZAS-UHFFFAOYSA-N -1 1 339.248 3.586 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2cc(Br)ccc2[O-])cc1 ZINC000028813023 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Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cn1 ZINC000121290240 1026167096 /nfs/dbraw/zinc/16/70/96/1026167096.db2.gz CZLRVBZUFZGHAQ-UHFFFAOYSA-N -1 1 332.425 3.512 20 0 EHADMM COc1ccc2c(CC(=O)Nc3ccc([O-])c(Cl)c3)coc2c1 ZINC000111668182 1026308506 /nfs/dbraw/zinc/30/85/06/1026308506.db2.gz ZONNJXBVUIYZEH-UHFFFAOYSA-N -1 1 331.755 3.982 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780376590 1026310812 /nfs/dbraw/zinc/31/08/12/1026310812.db2.gz WZAONYCPWVTCKN-UHFFFAOYSA-N -1 1 327.352 3.571 20 0 EHADMM COc1ccc(-c2nc([C@H]3CCOC4(CCCC4)C3)no2)c([O-])c1 ZINC000897186530 1026468205 /nfs/dbraw/zinc/46/82/05/1026468205.db2.gz BNPCNBQEXVQWDC-LBPRGKRZSA-N -1 1 330.384 3.658 20 0 EHADMM CCOc1cc(-c2noc(C[C@@H]3CCCCO3)n2)cc(Cl)c1[O-] ZINC000277825885 1027060172 /nfs/dbraw/zinc/06/01/72/1027060172.db2.gz HRJYDYYKYDOQLU-NSHDSACASA-N -1 1 338.791 3.606 20 0 EHADMM CCC[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000213497161 1027163582 /nfs/dbraw/zinc/16/35/82/1027163582.db2.gz 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C[C@H](Cc1ccccc1Cl)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000152484626 1028080484 /nfs/dbraw/zinc/08/04/84/1028080484.db2.gz PCVDPEDZGPLRFC-SNVBAGLBSA-N -1 1 330.775 3.535 20 0 EHADMM COc1cc(C(=O)N(Cc2cccs2)C2CC2)cc(Cl)c1[O-] ZINC000153543935 1028150265 /nfs/dbraw/zinc/15/02/65/1028150265.db2.gz UAEGSXRJBQIXBL-UHFFFAOYSA-N -1 1 337.828 3.921 20 0 EHADMM CCCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCC[C@@H](C)C1 ZINC000454269493 1028162243 /nfs/dbraw/zinc/16/22/43/1028162243.db2.gz VFOQJOKRVLCGSV-CABCVRRESA-N -1 1 341.455 3.744 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)C1CCC(C(F)(F)F)CC1 ZINC000444754222 1028239254 /nfs/dbraw/zinc/23/92/54/1028239254.db2.gz SPPGCEQVLYUMEL-UHFFFAOYSA-N -1 1 343.374 3.867 20 0 EHADMM CCOc1cc(C(=O)NCC2(C(F)(F)F)CC2)cc(Cl)c1[O-] ZINC000342942133 1028284769 /nfs/dbraw/zinc/28/47/69/1028284769.db2.gz BFYMUTWIDMRHCV-UHFFFAOYSA-N -1 1 337.725 3.517 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1coc(-c2ccccc2)n1 ZINC000523426386 1028293924 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[O-]c1ccc(-c2noc(-c3cc4c(cc3O)CCCC4)n2)c(F)c1 ZINC000445456420 1028823188 /nfs/dbraw/zinc/82/31/88/1028823188.db2.gz UQOOLOFLSFHNDX-UHFFFAOYSA-N -1 1 326.327 3.833 20 0 EHADMM COc1cc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)cc(OC)c1 ZINC000445462650 1028831479 /nfs/dbraw/zinc/83/14/79/1028831479.db2.gz MAIFAMGEMWAREI-UTCJRWHESA-N -1 1 342.326 3.769 20 0 EHADMM Cc1ccc(OCCc2nc(-c3ccc([O-])c(F)c3)no2)c(C)c1 ZINC000445477663 1028834030 /nfs/dbraw/zinc/83/40/30/1028834030.db2.gz OOWJBTRYWNEQGZ-UHFFFAOYSA-N -1 1 328.343 3.820 20 0 EHADMM [O-]c1ccc(-c2noc(CCc3nc4ccccc4o3)n2)cc1F ZINC000445483024 1028843223 /nfs/dbraw/zinc/84/32/23/1028843223.db2.gz SCURUFPUPYZDBW-UHFFFAOYSA-N -1 1 325.299 3.508 20 0 EHADMM CC[C@H](C)Oc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccn1 ZINC000445483422 1028843704 /nfs/dbraw/zinc/84/37/04/1028843704.db2.gz VTNUPJRXBFYMMH-JTQLQIEISA-N -1 1 329.331 3.821 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc(C(F)(F)F)cn3)n2)cc1F ZINC000445476424 1028857038 /nfs/dbraw/zinc/85/70/38/1028857038.db2.gz 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349.814 3.712 20 0 EHADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2nc3c(s2)CCCC3)c1 ZINC000904045142 1031665019 /nfs/dbraw/zinc/66/50/19/1031665019.db2.gz HOWIIHDAFXJEDA-OAHLLOKOSA-N -1 1 330.453 3.636 20 0 EHADMM CCC(=O)c1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445460045 1031916831 /nfs/dbraw/zinc/91/68/31/1031916831.db2.gz MBIWWUKHJWHGRA-UHFFFAOYSA-N -1 1 342.326 3.753 20 0 EHADMM O=C(Cc1ccccc1C(F)(F)F)Nc1cc(F)cc(F)c1[O-] ZINC001142542249 1033386256 /nfs/dbraw/zinc/38/62/56/1033386256.db2.gz NSAXMYFHPOYFEP-UHFFFAOYSA-N -1 1 331.240 3.870 20 0 EHADMM O=C(OCc1cc(-c2ccccc2)on1)c1c([O-])cc(F)cc1F ZINC000063543361 1033443091 /nfs/dbraw/zinc/44/30/91/1033443091.db2.gz JXDYHASVZPSOQU-UHFFFAOYSA-N -1 1 331.274 3.682 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1C1CCCC1 ZINC000045089523 1033582984 /nfs/dbraw/zinc/58/29/84/1033582984.db2.gz UKDPLNITEQBTGU-AWEZNQCLSA-N -1 1 338.245 3.950 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccc(F)c(Br)c1 ZINC000608365271 1033637531 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Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000108639169 1033827955 /nfs/dbraw/zinc/82/79/55/1033827955.db2.gz YZAXHGMRHTVANT-UHFFFAOYSA-N -1 1 347.827 3.541 20 0 EHADMM C[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H](C)C1 ZINC000120476982 1033850402 /nfs/dbraw/zinc/85/04/02/1033850402.db2.gz ULERGQHGIKWMKL-QWRGUYRKSA-N -1 1 326.234 3.663 20 0 EHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000171013463 1033954794 /nfs/dbraw/zinc/95/47/94/1033954794.db2.gz HIWVTRPEXGWJKO-CYBMUJFWSA-N -1 1 342.420 3.743 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000476501029 1034126588 /nfs/dbraw/zinc/12/65/88/1034126588.db2.gz ZQYVAKMCJKPGHQ-UHFFFAOYSA-N -1 1 329.425 3.726 20 0 EHADMM CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1c([O-])cccc1F ZINC000601378454 1034482386 /nfs/dbraw/zinc/48/23/86/1034482386.db2.gz SYJUFWBUCXQBPH-UHFFFAOYSA-N -1 1 345.370 3.668 20 0 EHADMM CC[C@H](C)[C@@H](C)NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000171744002 1034612716 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CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000172885533 1037723651 /nfs/dbraw/zinc/72/36/51/1037723651.db2.gz JNORUWBZHKRTOV-UHFFFAOYSA-N -1 1 346.452 3.878 20 0 EHADMM CC1=CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000494058862 1037800795 /nfs/dbraw/zinc/80/07/95/1037800795.db2.gz MLMFNEXTYPKRAY-UHFFFAOYSA-N -1 1 332.400 3.531 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3ccccc3c2)[n-]c1=O ZINC000188020648 1037984863 /nfs/dbraw/zinc/98/48/63/1037984863.db2.gz MBPBUUBKKGOJHR-JLHYYAGUSA-N -1 1 334.375 3.660 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000397503640 1038253114 /nfs/dbraw/zinc/25/31/14/1038253114.db2.gz TZPANUYQJBBNEE-WCQYABFASA-N -1 1 334.803 3.680 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c1 ZINC000461340077 1038355967 /nfs/dbraw/zinc/35/59/67/1038355967.db2.gz LNDOKTYWSRZMMX-UHFFFAOYSA-N -1 1 329.421 3.958 20 0 EHADMM CC[C@@H]1CC[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000552026181 1038605231 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O=C(c1ccc2ccc(O)cc2c1[O-])N1CCSC[C@@H]1C1CCC1 ZINC000910934467 1039143140 /nfs/dbraw/zinc/14/31/40/1039143140.db2.gz COKFENCIHBGEEJ-QGZVFWFLSA-N -1 1 343.448 3.609 20 0 EHADMM O=C([O-])CC1(CC(=O)Nc2cc(Cl)c(O)cc2F)CCCC1 ZINC000911421124 1039369460 /nfs/dbraw/zinc/36/94/60/1039369460.db2.gz IISZUZRCXOGXSA-UHFFFAOYSA-N -1 1 329.755 3.548 20 0 EHADMM CSCC[C@@H](NCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000426678355 1039371365 /nfs/dbraw/zinc/37/13/65/1039371365.db2.gz PULIBVRLTCOLFY-OAHLLOKOSA-N -1 1 337.416 3.690 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C)cc1C ZINC000478674319 1039610446 /nfs/dbraw/zinc/61/04/46/1039610446.db2.gz JYOATELFNZDVAM-UHFFFAOYSA-N -1 1 345.342 3.530 20 0 EHADMM Cc1cccc(CO[N-]C(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000898929873 1039713261 /nfs/dbraw/zinc/71/32/61/1039713261.db2.gz CTLCTQZGHZFLSX-LBPRGKRZSA-N -1 1 338.329 3.760 20 0 EHADMM CCOc1cc(F)ccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000567450878 1039741553 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O=C(N=c1[n-]sc2ccccc21)N1CCC(C(F)(F)F)CC1 ZINC000640341032 1040112415 /nfs/dbraw/zinc/11/24/15/1040112415.db2.gz QOFOUILTBCYGGD-UHFFFAOYSA-N -1 1 329.347 3.524 20 0 EHADMM Cc1ccc(C[C@@H](NCc2cnc(C(C)(C)C)s2)C(=O)[O-])cc1C ZINC000417649283 1040114790 /nfs/dbraw/zinc/11/47/90/1040114790.db2.gz JDJHFBJMCLKJNI-MRXNPFEDSA-N -1 1 346.496 3.843 20 0 EHADMM O=C(CCCC1CCCCC1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078560 1040120873 /nfs/dbraw/zinc/12/08/73/1040120873.db2.gz RXMNJKACHPQMAC-UHFFFAOYSA-N -1 1 336.505 3.685 20 0 EHADMM CCOC[C@@H](NCc1c(Cl)cccc1Oc1ccccc1)C(=O)[O-] ZINC000417663988 1040130427 /nfs/dbraw/zinc/13/04/27/1040130427.db2.gz XLLGMPGCOQVUBU-MRXNPFEDSA-N -1 1 349.814 3.712 20 0 EHADMM CSc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)s1 ZINC000417694882 1040167218 /nfs/dbraw/zinc/16/72/18/1040167218.db2.gz ACHRRSIERMVXRA-UHFFFAOYSA-N -1 1 334.466 3.730 20 0 EHADMM CN(Cc1csc(-c2ccc(Cl)cc2)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659800920 1040221145 /nfs/dbraw/zinc/22/11/45/1040221145.db2.gz ADIUCKUSYANEFA-VDISTLRHSA-N -1 1 336.844 3.759 20 0 EHADMM CSc1cccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000660293397 1040271328 /nfs/dbraw/zinc/27/13/28/1040271328.db2.gz PWLLQNVDXDCNOR-UHFFFAOYSA-N -1 1 331.466 3.751 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCCC(F)(F)C1 ZINC000908707003 1040603274 /nfs/dbraw/zinc/60/32/74/1040603274.db2.gz CVBCHEVQNVEMBJ-QMMMGPOBSA-N -1 1 334.160 3.919 20 0 EHADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc([O-])c1Br ZINC000908708864 1040604537 /nfs/dbraw/zinc/60/45/37/1040604537.db2.gz FLILAJGHLBNENM-JTQLQIEISA-N -1 1 342.233 3.879 20 0 EHADMM COC(=O)CCCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000600136209 1040709223 /nfs/dbraw/zinc/70/92/23/1040709223.db2.gz SPAMTKGENBQSHF-UHFFFAOYSA-N -1 1 335.787 3.871 20 0 EHADMM O=S(=O)([N-][C@@H]1CCc2c1cccc2Cl)c1cccc(F)c1F ZINC000509786663 1040828299 /nfs/dbraw/zinc/82/82/99/1040828299.db2.gz GDLCCZAXSKFHGM-CYBMUJFWSA-N -1 1 343.782 3.584 20 0 EHADMM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909976557 1041087691 /nfs/dbraw/zinc/08/76/91/1041087691.db2.gz BMVDIHPQAAYZNT-UHFFFAOYSA-N -1 1 326.368 3.985 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)c1cccc([C@@H]2CCCOC2)c1 ZINC000909984911 1041095323 /nfs/dbraw/zinc/09/53/23/1041095323.db2.gz CGGWNWJSHUOQLH-CYBMUJFWSA-N -1 1 333.334 3.817 20 0 EHADMM O=C([O-])c1cc(Cl)ccc1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001142647193 1041180898 /nfs/dbraw/zinc/18/08/98/1041180898.db2.gz RHPIYZHSXVZRKX-CYBMUJFWSA-N -1 1 339.716 3.762 20 0 EHADMM Cc1noc(C)c1C(=O)[N-]c1nc(-c2ccccc2Cl)ns1 ZINC000110381259 1041509810 /nfs/dbraw/zinc/50/98/10/1041509810.db2.gz BGFDOZIFVMTXBX-UHFFFAOYSA-N -1 1 334.788 3.716 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000043586833 1041682047 /nfs/dbraw/zinc/68/20/47/1041682047.db2.gz BXOWNIDFLLCDCR-UHFFFAOYSA-N -1 1 346.452 3.780 20 0 EHADMM CC[C@H]1CN(Cc2nc3ccccc3c(C)c2C(=O)[O-])[C@@H](CC)CO1 ZINC000652438115 1042476499 /nfs/dbraw/zinc/47/64/99/1042476499.db2.gz XNKGZSFBNMZMJW-GJZGRUSLSA-N -1 1 342.439 3.631 20 0 EHADMM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667643 1042994236 /nfs/dbraw/zinc/99/42/36/1042994236.db2.gz NCHZAZAAEYLBQP-GFCCVEGCSA-N -1 1 344.798 3.575 20 0 EHADMM CCCn1c(CN[C@H](CC(=O)[O-])c2cccs2)nc2ccccc21 ZINC000324567391 1044463512 /nfs/dbraw/zinc/46/35/12/1044463512.db2.gz RVKACTCNQXVJJM-CQSZACIVSA-N -1 1 343.452 3.813 20 0 EHADMM O=c1[n-]c(-c2cc(F)ccc2Br)nc2ccc(O)cc12 ZINC000436923433 1044561874 /nfs/dbraw/zinc/56/18/74/1044561874.db2.gz CFSORMQMUAPMNL-UHFFFAOYSA-N -1 1 335.132 3.610 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC)c2)c1 ZINC000432648224 1044605181 /nfs/dbraw/zinc/60/51/81/1044605181.db2.gz VYUHYUDFHXVKKJ-UHFFFAOYSA-N -1 1 325.817 3.712 20 0 EHADMM COC(=O)c1c[n-]c(SCCc2cccc(Cl)c2Cl)n1 ZINC000432661931 1044634596 /nfs/dbraw/zinc/63/45/96/1044634596.db2.gz XDFFVXZMSUOUHB-UHFFFAOYSA-N -1 1 331.224 3.838 20 0 EHADMM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000467864728 1044640584 /nfs/dbraw/zinc/64/05/84/1044640584.db2.gz OUFCTRWLYFRIEK-ZFWWWQNUSA-N -1 1 341.480 3.548 20 0 EHADMM CN(Cc1ccccc1Br)C(=O)c1ccc([O-])cc1F ZINC000154755105 1125754515 /nfs/dbraw/zinc/75/45/15/1125754515.db2.gz AALPNFWHRVMWGZ-UHFFFAOYSA-N -1 1 338.176 3.566 20 0 EHADMM O=C(Nc1ncc(Cl)s1)c1cc(Br)ccc1[O-] ZINC000673916700 1129904581 /nfs/dbraw/zinc/90/45/81/1129904581.db2.gz URIDJHCPNJUPNE-UHFFFAOYSA-N -1 1 333.594 3.517 20 0 EHADMM O=S(=O)(Cc1ccccc1)[N-]c1cnccc1Oc1ccccc1 ZINC000179367938 1127060427 /nfs/dbraw/zinc/06/04/27/1127060427.db2.gz BCIPIUFYRFXOJP-UHFFFAOYSA-N -1 1 340.404 3.816 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1Cl ZINC000181198697 1127269658 /nfs/dbraw/zinc/26/96/58/1127269658.db2.gz GUUODOJOZYXOOT-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CCCCOCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000032548946 1127852618 /nfs/dbraw/zinc/85/26/18/1127852618.db2.gz YTGCNLXIIKWHAA-UHFFFAOYSA-N -1 1 346.301 3.540 20 0 EHADMM [O-]c1ccc(Cl)c(Nc2cccnc2N2CCOCC2)c1Cl ZINC001212361793 1127991391 /nfs/dbraw/zinc/99/13/91/1127991391.db2.gz AGOLRTPLCGYNHC-UHFFFAOYSA-N -1 1 340.210 3.674 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H](C)C(C)C)cc1 ZINC000031716586 1128228368 /nfs/dbraw/zinc/22/83/68/1128228368.db2.gz UIFIAWBDSBQJIS-AWEZNQCLSA-N -1 1 346.500 3.809 20 0 EHADMM CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000066888862 1128229717 /nfs/dbraw/zinc/22/97/17/1128229717.db2.gz ONXJNZJIOYPSBH-GFCCVEGCSA-N -1 1 339.370 3.698 20 0 EHADMM Cc1cc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(C)n1C1CC1 ZINC000347628959 1128454437 /nfs/dbraw/zinc/45/44/37/1128454437.db2.gz ZMFIDCUWBSGXCY-UHFFFAOYSA-N -1 1 343.452 3.788 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000055678588 1128527024 /nfs/dbraw/zinc/52/70/24/1128527024.db2.gz JMMCKJKBXBOMKT-UHFFFAOYSA-N -1 1 329.780 3.679 20 0 EHADMM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672214180 1128851634 /nfs/dbraw/zinc/85/16/34/1128851634.db2.gz PHIQEZXSCCHZSE-YPMHNXCESA-N -1 1 345.361 3.567 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(Cl)sc1Cl ZINC001670409793 1120070434 /nfs/dbraw/zinc/07/04/34/1120070434.db2.gz YZBWVVLYMQDUOB-VGMNWLOBSA-N -1 1 340.297 3.769 20 0 EHADMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137270841 1120181959 /nfs/dbraw/zinc/18/19/59/1120181959.db2.gz YRVDINFAZSESOC-LBPRGKRZSA-N -1 1 332.625 3.542 20 0 EHADMM O=C(C[C@H]1CCc2sccc2C1=O)NCc1ccc([O-])c(Cl)c1 ZINC000899192358 1120347225 /nfs/dbraw/zinc/34/72/25/1120347225.db2.gz IRTDNCKMORDOJB-LLVKDONJSA-N -1 1 349.839 3.559 20 0 EHADMM Cc1ncccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494467001 1120566084 /nfs/dbraw/zinc/56/60/84/1120566084.db2.gz DLYMSXBGOKEMGZ-UHFFFAOYSA-N -1 1 343.383 3.695 20 0 EHADMM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cscn1 ZINC000191842079 1120698173 /nfs/dbraw/zinc/69/81/73/1120698173.db2.gz PXXGVBCMYIFASQ-UHFFFAOYSA-N -1 1 328.378 3.660 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000615227157 1120843055 /nfs/dbraw/zinc/84/30/55/1120843055.db2.gz DJMMYVWJURDTNH-UHFFFAOYSA-N -1 1 339.317 3.503 20 0 EHADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)[C@@H]1C ZINC000231324012 1121028263 /nfs/dbraw/zinc/02/82/63/1121028263.db2.gz SRGDXTUBADWMSD-BREBYQMCSA-N -1 1 326.234 3.709 20 0 EHADMM O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc2ccccc2c1 ZINC000470453913 1121567410 /nfs/dbraw/zinc/56/74/10/1121567410.db2.gz XXLCDTOWXBKWAX-UHFFFAOYSA-N -1 1 345.395 3.989 20 0 EHADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000055595084 1121842747 /nfs/dbraw/zinc/84/27/47/1121842747.db2.gz SAMGDLIUNIPPKM-UHFFFAOYSA-N -1 1 346.452 3.761 20 0 EHADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)n1 ZINC000126833858 1122446065 /nfs/dbraw/zinc/44/60/65/1122446065.db2.gz LCCQQTIPUOILOO-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2cc(-c3ccncc3)on2)s1 ZINC000127138766 1122464831 /nfs/dbraw/zinc/46/48/31/1122464831.db2.gz FIBGUVBGIMHIDQ-UHFFFAOYSA-N -1 1 343.412 3.573 20 0 EHADMM CCCCCCOc1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000917394502 1122590604 /nfs/dbraw/zinc/59/06/04/1122590604.db2.gz YWCAOKXPCNDFAR-TWGQIWQCSA-N -1 1 338.411 3.547 20 0 EHADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H](c3ccc(F)cc3)C(C)C)n2)o1 ZINC000497741686 1122652380 /nfs/dbraw/zinc/65/23/80/1122652380.db2.gz FJSCAQMNKGUWHJ-HNNXBMFYSA-N -1 1 342.374 3.891 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCc2cc(F)ccc2C1 ZINC000670420011 1122704767 /nfs/dbraw/zinc/70/47/67/1122704767.db2.gz IGERMJOMHHQPHB-UHFFFAOYSA-N -1 1 339.288 3.749 20 0 EHADMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000917999579 1122729368 /nfs/dbraw/zinc/72/93/68/1122729368.db2.gz VHLJCPOWYCLNGF-CYBMUJFWSA-N -1 1 349.434 3.712 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000070285894 1122865745 /nfs/dbraw/zinc/86/57/45/1122865745.db2.gz YEGPNXCGWRZMIW-UHFFFAOYSA-N -1 1 325.817 3.930 20 0 EHADMM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2[nH]nc(CC)c2C)c1 ZINC000556302541 1122919023 /nfs/dbraw/zinc/91/90/23/1122919023.db2.gz IZNFOXDYEKNWAL-UHFFFAOYSA-N -1 1 341.864 3.687 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccnc(Cl)c2Cl)c1 ZINC001212237720 1122969644 /nfs/dbraw/zinc/96/96/44/1122969644.db2.gz DDILASSZLJVCEE-UHFFFAOYSA-N -1 1 347.223 3.631 20 0 EHADMM O=C(NCc1ccc(OC(F)(F)F)cc1)c1c([O-])cccc1Cl ZINC000920438215 1123374160 /nfs/dbraw/zinc/37/41/60/1123374160.db2.gz OYWOTANZLJYUHZ-UHFFFAOYSA-N -1 1 345.704 3.874 20 0 EHADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Cl ZINC000133583386 1123405094 /nfs/dbraw/zinc/40/50/94/1123405094.db2.gz HAJIHAHMGQEFBY-UHFFFAOYSA-N -1 1 335.212 3.707 20 0 EHADMM C[C@@H]1CCCC[C@@H]1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000920727757 1123416291 /nfs/dbraw/zinc/41/62/91/1123416291.db2.gz LVNCCSCKEGTTFA-CHWSQXEVSA-N -1 1 330.380 3.758 20 0 EHADMM CC1(Cc2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)CCCC1 ZINC000347476983 1123449892 /nfs/dbraw/zinc/44/98/92/1123449892.db2.gz COAVRAFHZHOJAN-UHFFFAOYSA-N -1 1 336.395 3.814 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(C)c1F ZINC000543022337 1129123689 /nfs/dbraw/zinc/12/36/89/1129123689.db2.gz FAUIRUZLDMALDJ-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc2ccccc2o1 ZINC000134207096 1123500730 /nfs/dbraw/zinc/50/07/30/1123500730.db2.gz QYFGZYLSJJGNBJ-SMDDNHRTSA-N -1 1 349.358 3.545 20 0 EHADMM CCOc1cc(F)ccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000134959882 1123570088 /nfs/dbraw/zinc/57/00/88/1123570088.db2.gz DRCGPMVGJGFMEB-UHFFFAOYSA-N -1 1 339.750 3.844 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000135504844 1123622818 /nfs/dbraw/zinc/62/28/18/1123622818.db2.gz MMECKNXQLYHAGL-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C)ccc2o1 ZINC000078399976 1123626016 /nfs/dbraw/zinc/62/60/16/1123626016.db2.gz SXMURVKMUCRPCF-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM CC1(C)CN(C(=O)c2nc[n-]c2C(=O)c2ccccc2)c2ccccc21 ZINC000672991906 1129137451 /nfs/dbraw/zinc/13/74/51/1129137451.db2.gz CHRRTBYZBVNFSW-UHFFFAOYSA-N -1 1 345.402 3.579 20 0 EHADMM Cc1nc(-c2ccc(N[C@H]3C[C@@]3(C)c3ccccc3)nc2)[n-]c(=O)c1C ZINC000078374271 1129137610 /nfs/dbraw/zinc/13/76/10/1129137610.db2.gz DGKWKYUXZGMANZ-UWJYYQICSA-N -1 1 346.434 3.591 20 0 EHADMM CSC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1ccccc1 ZINC000610041180 1123721066 /nfs/dbraw/zinc/72/10/66/1123721066.db2.gz YYENPIHYNXJDBH-CQSZACIVSA-N -1 1 341.461 3.670 20 0 EHADMM COCCCOc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000080310981 1123750958 /nfs/dbraw/zinc/75/09/58/1123750958.db2.gz YOTQBYFDPAJHJP-UHFFFAOYSA-N -1 1 349.452 3.520 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC000615375899 1123787901 /nfs/dbraw/zinc/78/79/01/1123787901.db2.gz PRBDHZHCYHJZEQ-ZDUSSCGKSA-N -1 1 329.421 3.870 20 0 EHADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000615741999 1123867785 /nfs/dbraw/zinc/86/77/85/1123867785.db2.gz RDZUDSKYHXVHRI-ZYHUDNBSSA-N -1 1 338.329 3.743 20 0 EHADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616328426 1123983576 /nfs/dbraw/zinc/98/35/76/1123983576.db2.gz LDRGLHHMFLSHPJ-RBUKOAKNSA-N -1 1 337.419 3.760 20 0 EHADMM CC(C)CCc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000617098234 1124083722 /nfs/dbraw/zinc/08/37/22/1124083722.db2.gz WBMHYOJXWHIHKW-UHFFFAOYSA-N -1 1 347.337 3.935 20 0 EHADMM Cc1nc(-c2cccs2)sc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000734879321 1131286058 /nfs/dbraw/zinc/28/60/58/1131286058.db2.gz CQBJBAHQDOCFQP-UHFFFAOYSA-N -1 1 332.410 3.693 20 0 EHADMM CC(C)(C)CN(CC(C)(C)C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000091629186 1124993322 /nfs/dbraw/zinc/99/33/22/1124993322.db2.gz UKXQPMOJLGWABT-UHFFFAOYSA-N -1 1 329.444 3.870 20 0 EHADMM CCN(CCc1cccs1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735296799 1131328624 /nfs/dbraw/zinc/32/86/24/1131328624.db2.gz ARXXQHZBCOJMDM-UHFFFAOYSA-N -1 1 345.497 3.586 20 0 EHADMM C[C@@H](CN(C)Cn1[n-]c(-c2ccccn2)nc1=S)c1ccccc1 ZINC000735298790 1131328777 /nfs/dbraw/zinc/32/87/77/1131328777.db2.gz UAAZUYJOEVMMLE-AWEZNQCLSA-N -1 1 339.468 3.696 20 0 EHADMM Cc1cccc(CNC(=O)c2ccc([O-])c(F)c2)c1Br ZINC000682558896 1129226156 /nfs/dbraw/zinc/22/61/56/1129226156.db2.gz LMCXDSAHYNBEOH-UHFFFAOYSA-N -1 1 338.176 3.532 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC001299273630 1129386083 /nfs/dbraw/zinc/38/60/83/1129386083.db2.gz FNFFJPATLHNAOO-UHFFFAOYSA-N -1 1 349.352 3.904 20 0 EHADMM CCC1=NO[C@@H](c2nc(=O)c3c4c(sc3[n-]2)C[C@H](CC)CC4)C1 ZINC000172996028 1129532809 /nfs/dbraw/zinc/53/28/09/1129532809.db2.gz GMGZNZSEWRDMJB-BXKDBHETSA-N -1 1 331.441 3.727 20 0 EHADMM O=S(=O)([N-]C1(C(F)F)CCCC1)c1ccccc1C(F)(F)F ZINC000673586839 1129590083 /nfs/dbraw/zinc/59/00/83/1129590083.db2.gz FJKCQCBRBHKORJ-UHFFFAOYSA-N -1 1 343.317 3.562 20 0 EHADMM CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])c(C)c1 ZINC000097014121 1129754666 /nfs/dbraw/zinc/75/46/66/1129754666.db2.gz GZYLXIIEOHNPOD-UHFFFAOYSA-N -1 1 348.402 3.856 20 0 EHADMM O=C([N-]c1nc2ccsc2s1)c1noc(-c2cccc(F)c2)n1 ZINC000673674554 1129791614 /nfs/dbraw/zinc/79/16/14/1129791614.db2.gz ABFVEHQHXQEJFQ-UHFFFAOYSA-N -1 1 346.368 3.799 20 0 EHADMM CCCC(=O)Nc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000347802612 1129822540 /nfs/dbraw/zinc/82/25/40/1129822540.db2.gz WGLSETYUTVJEST-UHFFFAOYSA-N -1 1 334.322 3.661 20 0 EHADMM CCC[C@@H](CC1CCCCC1)C(=O)NCCn1c(C)n[n-]c1=S ZINC000073942337 1129858953 /nfs/dbraw/zinc/85/89/53/1129858953.db2.gz VNSDHRTXJYPXQR-HNNXBMFYSA-N -1 1 338.521 3.752 20 0 EHADMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1sccc1Cl ZINC000625493702 1129905100 /nfs/dbraw/zinc/90/51/00/1129905100.db2.gz RDTRGTYLEHYQHS-UHFFFAOYSA-N -1 1 331.837 3.751 20 0 EHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000171013857 1129997642 /nfs/dbraw/zinc/99/76/42/1129997642.db2.gz UAWZUIPJJYPPFW-ZDUSSCGKSA-N -1 1 331.437 3.684 20 0 EHADMM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(F)c([O-])c1 ZINC001626098970 1130081906 /nfs/dbraw/zinc/08/19/06/1130081906.db2.gz AHNOBBPPPVYBEV-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccccc1SC1CCCC1 ZINC000172365550 1130127941 /nfs/dbraw/zinc/12/79/41/1130127941.db2.gz TWGVAWHUSWNPOR-ZDUSSCGKSA-N -1 1 341.498 3.642 20 0 EHADMM O=C(CSc1nccc2ccccc21)Nc1c([O-])cccc1F ZINC000676051299 1130519502 /nfs/dbraw/zinc/51/95/02/1130519502.db2.gz UJGLSXBTSMAIOD-UHFFFAOYSA-N -1 1 328.368 3.810 20 0 EHADMM Cc1n[n-]cc1S(=O)(=O)Oc1cc(C)c(Cl)cc1C(C)C ZINC000730099263 1130674525 /nfs/dbraw/zinc/67/45/25/1130674525.db2.gz JHNKTQFEATVDCM-UHFFFAOYSA-N -1 1 328.821 3.571 20 0 EHADMM CCCC[C@@H](CCC)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000730299626 1130697484 /nfs/dbraw/zinc/69/74/84/1130697484.db2.gz RSDWIXQOFSFACU-LLVKDONJSA-N -1 1 333.475 3.635 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000732285413 1130909547 /nfs/dbraw/zinc/90/95/47/1130909547.db2.gz FFXQPAGPEPDXKF-OAHLLOKOSA-N -1 1 336.313 3.783 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC(c2ccc(O)cc2)CC1 ZINC000144639520 1130967008 /nfs/dbraw/zinc/96/70/08/1130967008.db2.gz QTLSBORODSVUBY-UHFFFAOYSA-N -1 1 331.799 3.771 20 0 EHADMM Cn1c(CNC(=O)c2ccc3ccccc3c2[O-])nc2cc(F)ccc21 ZINC000736679557 1131430820 /nfs/dbraw/zinc/43/08/20/1131430820.db2.gz FWXGXQFAJZBCSB-UHFFFAOYSA-N -1 1 349.365 3.501 20 0 EHADMM Cc1cccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000740921648 1131558698 /nfs/dbraw/zinc/55/86/98/1131558698.db2.gz XMBAFRYQOGOYRS-UHFFFAOYSA-N -1 1 343.383 3.695 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3ccc4ccncc4c3)no2)[n-]1 ZINC001212690081 1131901081 /nfs/dbraw/zinc/90/10/81/1131901081.db2.gz WQSLBNMLOROBGH-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccc4ccncc4c3)no2)n1 ZINC001212690081 1131901087 /nfs/dbraw/zinc/90/10/87/1131901087.db2.gz WQSLBNMLOROBGH-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM O=C(CSc1nc2ccccc2s1)Nc1c([O-])cccc1F ZINC000743415539 1131918562 /nfs/dbraw/zinc/91/85/62/1131918562.db2.gz FFGOBIYUKLKNJE-UHFFFAOYSA-N -1 1 334.397 3.872 20 0 EHADMM CO[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC000743677849 1131961212 /nfs/dbraw/zinc/96/12/12/1131961212.db2.gz FGUIPPLGXXVVBV-CQSZACIVSA-N -1 1 340.206 3.817 20 0 EHADMM Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721207 1132055645 /nfs/dbraw/zinc/05/56/45/1132055645.db2.gz DFIJCVVEBGZZEC-UHFFFAOYSA-N -1 1 337.257 3.711 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2cc(C(F)(F)F)ccc2F)no1 ZINC001212721565 1132056868 /nfs/dbraw/zinc/05/68/68/1132056868.db2.gz WVEFLOLJFWVYED-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2ccccc2Cl)c1 ZINC000744616961 1132127574 /nfs/dbraw/zinc/12/75/74/1132127574.db2.gz BURCSZOAFOWCDJ-UHFFFAOYSA-N -1 1 332.783 3.577 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(C(F)(F)F)c2)c1 ZINC001173822120 1132147309 /nfs/dbraw/zinc/14/73/09/1132147309.db2.gz CVQAACNCYVRYBS-UHFFFAOYSA-N -1 1 345.342 3.948 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3occc3s2)c1 ZINC000745062494 1132189674 /nfs/dbraw/zinc/18/96/74/1132189674.db2.gz GVKCZSMHCTUIJU-UHFFFAOYSA-N -1 1 330.361 3.802 20 0 EHADMM Cc1ncn(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)cc2)c1N ZINC001174855915 1132488759 /nfs/dbraw/zinc/48/87/59/1132488759.db2.gz QABPLJHVMMMHJG-UHFFFAOYSA-N -1 1 344.374 3.676 20 0 EHADMM Cn1cnc([N-]c2c(F)ccc(OCc3ccccc3)c2Cl)n1 ZINC001175205501 1132585687 /nfs/dbraw/zinc/58/56/87/1132585687.db2.gz DZAWKBOVCHTFSJ-UHFFFAOYSA-N -1 1 332.766 3.930 20 0 EHADMM O=C(CSCc1cccs1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168915714 1132605240 /nfs/dbraw/zinc/60/52/40/1132605240.db2.gz ZVNQOHSDNIFUSB-UHFFFAOYSA-N -1 1 345.449 3.511 20 0 EHADMM [O-]c1c(Br)ccc(Cl)c1Nc1cnc2n[nH]cc2c1 ZINC001175410081 1132662288 /nfs/dbraw/zinc/66/22/88/1132662288.db2.gz NSFRMFIBZPWIKX-UHFFFAOYSA-N -1 1 339.580 3.823 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(C)C)cc2)cc1N ZINC001175623995 1132716439 /nfs/dbraw/zinc/71/64/39/1132716439.db2.gz PHUPXJCYOKEASL-UHFFFAOYSA-N -1 1 336.482 3.879 20 0 EHADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(OC)c(OC)c1 ZINC000804325381 1132769679 /nfs/dbraw/zinc/76/96/79/1132769679.db2.gz QQLZHUPCBVWYMK-ZDUSSCGKSA-N -1 1 349.814 3.944 20 0 EHADMM Cc1cc(C)c(C(=O)CCCC(=O)[N-]OCC(F)(F)F)c(C)c1 ZINC000766766751 1132800670 /nfs/dbraw/zinc/80/06/70/1132800670.db2.gz BSYHEFQUXHPLFJ-UHFFFAOYSA-N -1 1 331.334 3.575 20 0 EHADMM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)c1ncccc1[O-] ZINC001175955917 1132812539 /nfs/dbraw/zinc/81/25/39/1132812539.db2.gz AAKFUHAKFFZLOC-CYBMUJFWSA-N -1 1 330.815 3.849 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cccc(OC3CCCC3)c2)c1 ZINC001176100237 1132847116 /nfs/dbraw/zinc/84/71/16/1132847116.db2.gz PGNSOEXMYPUZBO-UHFFFAOYSA-N -1 1 347.436 3.861 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccc(OCC(F)(F)F)nc2)c1F ZINC001176664565 1132978505 /nfs/dbraw/zinc/97/85/05/1132978505.db2.gz PYYJJMYFEISNGX-UHFFFAOYSA-N -1 1 338.207 3.889 20 0 EHADMM CCOc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(C(=O)OC)c1 ZINC001176671037 1132978606 /nfs/dbraw/zinc/97/86/06/1132978606.db2.gz RGZSSONVBXPMOF-UHFFFAOYSA-N -1 1 341.285 3.738 20 0 EHADMM CCOC(=O)c1ccc(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672857 1132979650 /nfs/dbraw/zinc/97/96/50/1132979650.db2.gz LZQIQYIYDULLFG-UHFFFAOYSA-N -1 1 329.249 3.869 20 0 EHADMM COC(=O)c1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1Cl ZINC001176673304 1132979898 /nfs/dbraw/zinc/97/98/98/1132979898.db2.gz SHVAWSBEAZCEGX-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM CN1CCN(c2ccc(Nc3c([S-])cccc3Cl)cn2)CC1 ZINC001176662111 1132986114 /nfs/dbraw/zinc/98/61/14/1132986114.db2.gz YSNMHVVLSWTGGC-UHFFFAOYSA-N -1 1 334.876 3.519 20 0 EHADMM CN(C)C(=O)Sc1ccc(COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773586890 1132998950 /nfs/dbraw/zinc/99/89/50/1132998950.db2.gz XOEZXOIOPPFBOL-UHFFFAOYSA-N -1 1 349.383 3.662 20 0 EHADMM Cc1ccsc1C=CC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001177070582 1133027721 /nfs/dbraw/zinc/02/77/21/1133027721.db2.gz JUIKDXXJSAKBGZ-BQYQJAHWSA-N -1 1 325.393 3.600 20 0 EHADMM CC(C)c1cccc(OCC(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001178785569 1133199031 /nfs/dbraw/zinc/19/90/31/1133199031.db2.gz XCSDERJTNOPJRM-UHFFFAOYSA-N -1 1 349.377 3.532 20 0 EHADMM CCC1(C(=O)Nc2cc(OC)cc(Br)c2[O-])CCC1 ZINC001179023959 1133219402 /nfs/dbraw/zinc/21/94/02/1133219402.db2.gz PYGQRACYDYAZQM-UHFFFAOYSA-N -1 1 328.206 3.682 20 0 EHADMM COC(=O)c1cccc2c1CCN2C(=O)c1ccc(C(C)C)cc1[O-] ZINC001178989643 1133219991 /nfs/dbraw/zinc/21/99/91/1133219991.db2.gz QHPNEWJFLQULPE-UHFFFAOYSA-N -1 1 339.391 3.505 20 0 EHADMM O=C(NC[C@@H]1CCCC2(CCC2)O1)c1ccc(C(F)(F)F)cc1[O-] ZINC001179552168 1133260933 /nfs/dbraw/zinc/26/09/33/1133260933.db2.gz MUKRJFAIPVAAKA-LBPRGKRZSA-N -1 1 343.345 3.633 20 0 EHADMM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1c([O-])cccc1Cl ZINC000769749525 1133343050 /nfs/dbraw/zinc/34/30/50/1133343050.db2.gz PFSSKTVLWCBWQU-NVXWUHKLSA-N -1 1 331.799 3.696 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1F ZINC000769889756 1133363667 /nfs/dbraw/zinc/36/36/67/1133363667.db2.gz JKXHCWCTOFMZKN-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM Cc1ccc(C(C)(C)C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC001180602104 1133398345 /nfs/dbraw/zinc/39/83/45/1133398345.db2.gz HCKZSOYASSCIJD-UHFFFAOYSA-N -1 1 349.228 3.774 20 0 EHADMM O=C(CCn1ccc2ccccc21)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001180669024 1133400208 /nfs/dbraw/zinc/40/02/08/1133400208.db2.gz QNFPULKRLFKXLG-UHFFFAOYSA-N -1 1 346.390 3.561 20 0 EHADMM O=C(NC[C@@H]1C[C@H]1C1CCCC1)c1c([O-])cnc2c(F)cccc21 ZINC001181440053 1133492437 /nfs/dbraw/zinc/49/24/37/1133492437.db2.gz BXENPYSRKQSCCA-JSGCOSHPSA-N -1 1 328.387 3.636 20 0 EHADMM COC(=O)c1cc(Nc2cc(Cl)c([O-])cc2F)cnc1Cl ZINC001250023333 1133540699 /nfs/dbraw/zinc/54/06/99/1133540699.db2.gz JCIPFYYXXOWHHF-UHFFFAOYSA-N -1 1 331.130 3.763 20 0 EHADMM COc1cc(CC(=O)Nc2cccc(C(F)(F)F)c2[O-])ccc1C ZINC001182303555 1133622916 /nfs/dbraw/zinc/62/29/16/1133622916.db2.gz YIABLTLKWWTBOW-UHFFFAOYSA-N -1 1 339.313 3.909 20 0 EHADMM COc1cc(C(=O)NC(C)(C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000785580934 1133722475 /nfs/dbraw/zinc/72/24/75/1133722475.db2.gz ZGMGACNGWBPYKE-UHFFFAOYSA-N -1 1 337.778 3.858 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2ccc(F)c(OC)c2)c([O-])c1 ZINC001183203222 1133781746 /nfs/dbraw/zinc/78/17/46/1133781746.db2.gz RPYXWIKZUCKMAV-UHFFFAOYSA-N -1 1 333.359 3.971 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1nc2ccccc2nc1C1CC1 ZINC001183210069 1133782991 /nfs/dbraw/zinc/78/29/91/1133782991.db2.gz QAJOATUPFYYXIP-UHFFFAOYSA-N -1 1 340.770 3.514 20 0 EHADMM CCOC(=O)c1cnc(NC(=O)CC(C)(C)c2ccccc2Cl)[n-]1 ZINC001183865433 1133872858 /nfs/dbraw/zinc/87/28/58/1133872858.db2.gz VYYHJJKGWPBXMX-UHFFFAOYSA-N -1 1 349.818 3.546 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)CC(C)(C)c2ccccc2Cl)n1 ZINC001183865433 1133872863 /nfs/dbraw/zinc/87/28/63/1133872863.db2.gz VYYHJJKGWPBXMX-UHFFFAOYSA-N -1 1 349.818 3.546 20 0 EHADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000786880796 1133923672 /nfs/dbraw/zinc/92/36/72/1133923672.db2.gz OYOLCLAIWVOWKY-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1csc2ncccc12 ZINC001185088040 1134026837 /nfs/dbraw/zinc/02/68/37/1134026837.db2.gz DFMHVMQRKJBTET-UHFFFAOYSA-N -1 1 340.376 3.516 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2cnco2)cc1 ZINC001185186049 1134046674 /nfs/dbraw/zinc/04/66/74/1134046674.db2.gz PGKXTMKQFBKRMU-UHFFFAOYSA-N -1 1 334.784 3.796 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185186693 1134046780 /nfs/dbraw/zinc/04/67/80/1134046780.db2.gz XOWQDHOERPTJGY-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc(Cl)n1 ZINC001185495869 1134098832 /nfs/dbraw/zinc/09/88/32/1134098832.db2.gz CDMUMWDQHPQZMQ-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)cc2nn1C ZINC001185524517 1134103143 /nfs/dbraw/zinc/10/31/43/1134103143.db2.gz HMKQILZKUFDGBE-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1F ZINC001185525103 1134103162 /nfs/dbraw/zinc/10/31/62/1134103162.db2.gz PZUYMCAQXWYDMC-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(CO)c2)ccc1Cl ZINC001185530280 1134104839 /nfs/dbraw/zinc/10/48/39/1134104839.db2.gz WZKFOKLHHVOBGG-UHFFFAOYSA-N -1 1 346.235 3.595 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccccn1)C1CCCCC1 ZINC001186218771 1134188271 /nfs/dbraw/zinc/18/82/71/1134188271.db2.gz KGKARYKXGUIBEE-UHFFFAOYSA-N -1 1 328.387 3.901 20 0 EHADMM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1ccc([O-])cc1F ZINC001186319066 1134194432 /nfs/dbraw/zinc/19/44/32/1134194432.db2.gz VCWYHAVZCCMYNK-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM COC(=O)c1sc2c(c1NC(=O)c1ccc([O-])cc1F)CCCC2 ZINC001186318054 1134194493 /nfs/dbraw/zinc/19/44/93/1134194493.db2.gz DKSRLFNKGNLXCV-UHFFFAOYSA-N -1 1 349.383 3.511 20 0 EHADMM COc1ccc(-n2cccc2)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC001186328533 1134195706 /nfs/dbraw/zinc/19/57/06/1134195706.db2.gz GEXSBRHQQGKYLZ-UHFFFAOYSA-N -1 1 326.327 3.583 20 0 EHADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)nc(C)c1Br ZINC001186311216 1134198926 /nfs/dbraw/zinc/19/89/26/1134198926.db2.gz NZGINSBZKWAUNV-UHFFFAOYSA-N -1 1 339.164 3.558 20 0 EHADMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1ccc([O-])cc1F ZINC001186339468 1134204506 /nfs/dbraw/zinc/20/45/06/1134204506.db2.gz FSQYLLYNTNYXPS-WTVLQJKYSA-N -1 1 325.383 3.843 20 0 EHADMM O=S(=O)(Nc1ccc([S-])cc1)c1cc2c(s1)CCCC2 ZINC001187209021 1134314864 /nfs/dbraw/zinc/31/48/64/1134314864.db2.gz INDHVTJNZKYJCI-UHFFFAOYSA-N -1 1 325.480 3.716 20 0 EHADMM Cc1ccc(N2CCCC2)c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000789931824 1134353766 /nfs/dbraw/zinc/35/37/66/1134353766.db2.gz OLGSIDFYPLXCTD-UHFFFAOYSA-N -1 1 331.803 3.602 20 0 EHADMM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048833 1134364218 /nfs/dbraw/zinc/36/42/18/1134364218.db2.gz XJFPISWSPQRANX-UHFFFAOYSA-N -1 1 347.733 3.795 20 0 EHADMM CCCCc1ccc(NC(=O)NCC(=O)c2ccc([O-])cc2)cc1 ZINC001187752272 1134380176 /nfs/dbraw/zinc/38/01/76/1134380176.db2.gz KEKUEXVEHUDFJT-UHFFFAOYSA-N -1 1 326.396 3.739 20 0 EHADMM Cc1nc2cc(NC(=O)c3ncc(C(F)(F)F)[n-]3)c(C)cc2s1 ZINC001188288652 1134445170 /nfs/dbraw/zinc/44/51/70/1134445170.db2.gz IFSNQKDLVFXBAW-UHFFFAOYSA-N -1 1 340.330 3.907 20 0 EHADMM Cc1nc2cc(NC(=O)c3nc(C(F)(F)F)c[n-]3)c(C)cc2s1 ZINC001188288652 1134445172 /nfs/dbraw/zinc/44/51/72/1134445172.db2.gz IFSNQKDLVFXBAW-UHFFFAOYSA-N -1 1 340.330 3.907 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1C(F)F ZINC001188264922 1134448055 /nfs/dbraw/zinc/44/80/55/1134448055.db2.gz JMKAAIVVJRJDAW-UHFFFAOYSA-N -1 1 329.306 3.768 20 0 EHADMM O=S(=O)([N-]c1ccnc(F)c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188432151 1134462491 /nfs/dbraw/zinc/46/24/91/1134462491.db2.gz XXZPWGPSFAKYEK-UHFFFAOYSA-N -1 1 346.358 3.828 20 0 EHADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188563910 1134476365 /nfs/dbraw/zinc/47/63/65/1134476365.db2.gz OORBQGFPELLIRL-UHFFFAOYSA-N -1 1 341.333 3.694 20 0 EHADMM CN(C)C(=O)c1cccc(NC(=O)Nc2cccc3ccccc32)c1[O-] ZINC001188942937 1134523410 /nfs/dbraw/zinc/52/34/10/1134523410.db2.gz JBJBJIIBTMCVQH-UHFFFAOYSA-N -1 1 349.390 3.891 20 0 EHADMM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc2c(s1)CCCC2 ZINC001189426468 1134585356 /nfs/dbraw/zinc/58/53/56/1134585356.db2.gz YYDHGFANYMDNIN-UHFFFAOYSA-N -1 1 343.420 3.847 20 0 EHADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(C)cc2Cl)c1 ZINC001189576659 1134602583 /nfs/dbraw/zinc/60/25/83/1134602583.db2.gz CPWNROUUJGZVAO-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM COc1cccc(Cl)c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189691240 1134614118 /nfs/dbraw/zinc/61/41/18/1134614118.db2.gz QQPCWESPNJRGDJ-UHFFFAOYSA-N -1 1 347.770 3.569 20 0 EHADMM CN(CC1CCCCC1)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190261907 1134674114 /nfs/dbraw/zinc/67/41/14/1134674114.db2.gz KWMMGOYILLXDSJ-UHFFFAOYSA-N -1 1 325.412 3.502 20 0 EHADMM O=S(=O)([N-]c1ccc(CO)c(Cl)c1)c1ccc(C2CC2)cc1 ZINC001190505496 1134708123 /nfs/dbraw/zinc/70/81/23/1134708123.db2.gz BLJHFZDDSSFGQZ-UHFFFAOYSA-N -1 1 337.828 3.511 20 0 EHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)NC1CCCCCC1 ZINC001191290881 1134842235 /nfs/dbraw/zinc/84/22/35/1134842235.db2.gz WRAKUHMUBKDIGR-UHFFFAOYSA-N -1 1 328.416 3.731 20 0 EHADMM C[C@@H]1CCCCN(C(=O)c2ccccc2C(=O)c2ccc([O-])cc2)C1 ZINC001191496881 1134873512 /nfs/dbraw/zinc/87/35/12/1134873512.db2.gz GEVHEXUXLUEOID-OAHLLOKOSA-N -1 1 337.419 3.885 20 0 EHADMM O=S(=O)(CC1CCCC1)[N-]c1ccccc1OCC(F)(F)F ZINC001191529452 1134880139 /nfs/dbraw/zinc/88/01/39/1134880139.db2.gz HAICIJIXBFBTLK-UHFFFAOYSA-N -1 1 337.363 3.560 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1c[nH]cc1-c1ccccc1 ZINC001191776090 1134913646 /nfs/dbraw/zinc/91/36/46/1134913646.db2.gz DCLOZPJUYHILIX-UHFFFAOYSA-N -1 1 344.374 3.825 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)ccc1-n1cccn1 ZINC000793709814 1134982130 /nfs/dbraw/zinc/98/21/30/1134982130.db2.gz TZNUMHKYAHLLAT-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2ccc(C3OCCO3)cc2)c([O-])c1 ZINC001192323006 1134998868 /nfs/dbraw/zinc/99/88/68/1134998868.db2.gz WRDGCXTZNXUEIM-UHFFFAOYSA-N -1 1 341.407 3.987 20 0 EHADMM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1c(F)ccc([O-])c1F ZINC001192539557 1135032248 /nfs/dbraw/zinc/03/22/48/1135032248.db2.gz LUUTTYIMSJHIID-UHFFFAOYSA-N -1 1 349.333 3.878 20 0 EHADMM O=C(NCc1nc(-c2ccccc2)cs1)c1cc([O-])cc(F)c1F ZINC001192678635 1135044297 /nfs/dbraw/zinc/04/42/97/1135044297.db2.gz JMNMFXJXBCUOSD-UHFFFAOYSA-N -1 1 346.358 3.724 20 0 EHADMM O=C(NCC1(Cc2ccccc2F)CC1)c1cc([O-])cc(F)c1F ZINC001192684416 1135045141 /nfs/dbraw/zinc/04/51/41/1135045141.db2.gz PXQZTYNJEWMGQL-UHFFFAOYSA-N -1 1 335.325 3.562 20 0 EHADMM COc1cc(C(F)(F)F)ccc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192665640 1135047009 /nfs/dbraw/zinc/04/70/09/1135047009.db2.gz RGUWZXYVNVJBPK-UHFFFAOYSA-N -1 1 347.239 3.950 20 0 EHADMM O=C([N-]Cc1cc(F)cnc1Cl)C(F)(F)c1ccc(Cl)cc1 ZINC001129460590 1135071225 /nfs/dbraw/zinc/07/12/25/1135071225.db2.gz DNGSMZOAGCZQGH-UHFFFAOYSA-N -1 1 349.139 3.936 20 0 EHADMM Cc1cc(F)cc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1Cl ZINC001193290061 1135122825 /nfs/dbraw/zinc/12/28/25/1135122825.db2.gz UZCZQVWNCJWEEG-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM CC(C)(C)c1ccc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC001129757901 1135151165 /nfs/dbraw/zinc/15/11/65/1135151165.db2.gz NBTZINDWWFIUHB-UHFFFAOYSA-N -1 1 339.439 3.540 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1cccc(Cc2ccccc2)c1 ZINC001193885918 1135193255 /nfs/dbraw/zinc/19/32/55/1135193255.db2.gz CQQWUKJMJQQVIF-UHFFFAOYSA-N -1 1 338.432 3.660 20 0 EHADMM Cc1nc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)sc1C ZINC001130060745 1135228659 /nfs/dbraw/zinc/22/86/59/1135228659.db2.gz QOTHVHWTQKAXLI-UHFFFAOYSA-N -1 1 348.428 3.594 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc2c(Cl)nccc21 ZINC001194455529 1135269451 /nfs/dbraw/zinc/26/94/51/1135269451.db2.gz QSQCDEROHNVZQN-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM COc1ccc(OC(=O)Nc2ccc([O-])c(Br)c2)cc1 ZINC001194532735 1135281945 /nfs/dbraw/zinc/28/19/45/1135281945.db2.gz BRLJTTSSHCWUCO-UHFFFAOYSA-N -1 1 338.157 3.774 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC001194633989 1135294798 /nfs/dbraw/zinc/29/47/98/1135294798.db2.gz JOCABRBELRJXAX-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2OC)c(C)c1C ZINC001194864947 1135331844 /nfs/dbraw/zinc/33/18/44/1135331844.db2.gz VKFPEFSMPDWQDZ-UHFFFAOYSA-N -1 1 349.452 3.738 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1cccc2cc(Cl)cnc21 ZINC001195073926 1135364836 /nfs/dbraw/zinc/36/48/36/1135364836.db2.gz SFNVENWPUPLVQJ-UHFFFAOYSA-N -1 1 342.924 3.968 20 0 EHADMM O=C(Nc1cc(F)c(Cl)nc1Cl)c1cc([O-])cnc1Cl ZINC001195297380 1135408847 /nfs/dbraw/zinc/40/88/47/1135408847.db2.gz APTJPBWJXRECSU-UHFFFAOYSA-N -1 1 336.537 3.534 20 0 EHADMM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc([O-])cnc1Cl ZINC001195308486 1135410823 /nfs/dbraw/zinc/41/08/23/1135410823.db2.gz DTDDKPRUJMUVEP-UHFFFAOYSA-N -1 1 339.782 3.679 20 0 EHADMM COc1ccc(F)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195317044 1135413347 /nfs/dbraw/zinc/41/33/47/1135413347.db2.gz LJRFEMAJULQTQW-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccccc1-c1ccc(Cl)cn1 ZINC001195495153 1135434176 /nfs/dbraw/zinc/43/41/76/1135434176.db2.gz VWGQXONIMDOGAU-UHFFFAOYSA-N -1 1 335.816 3.845 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCC=CCCC1)c1cc(F)c(F)cc1F ZINC001195847794 1135475626 /nfs/dbraw/zinc/47/56/26/1135475626.db2.gz UPUBKOMXTXTNJF-LLVKDONJSA-N -1 1 333.375 3.519 20 0 EHADMM Cn1cccc1-c1cc(C(=O)[N-]c2cc(Cl)cc3ncoc32)no1 ZINC001196005243 1135503054 /nfs/dbraw/zinc/50/30/54/1135503054.db2.gz FKLUXEPZKDSEPB-UHFFFAOYSA-N -1 1 342.742 3.727 20 0 EHADMM O=c1ccn(-c2ccc(NC(=S)Nc3cccc(F)c3)cc2)[n-]1 ZINC001197652423 1135716987 /nfs/dbraw/zinc/71/69/87/1135716987.db2.gz LFEMGHGSEWMCCG-UHFFFAOYSA-N -1 1 328.372 3.526 20 0 EHADMM Cc1cccnc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197717070 1135723106 /nfs/dbraw/zinc/72/31/06/1135723106.db2.gz ZNDNCSCCJOFWJE-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM O=C([N-]c1noc2cccnc12)c1cnc(Cl)c(Cl)c1Cl ZINC001199330577 1135898747 /nfs/dbraw/zinc/89/87/47/1135898747.db2.gz IOMHUDKGKPFNOV-UHFFFAOYSA-N -1 1 343.557 3.830 20 0 EHADMM [O-]c1cc(F)c(NC(=S)Nc2ccc(-n3cccn3)cc2)cc1F ZINC001200882791 1135963167 /nfs/dbraw/zinc/96/31/67/1135963167.db2.gz OQMNFZVOQNIYKH-UHFFFAOYSA-N -1 1 346.362 3.665 20 0 EHADMM CSc1ccc(NC(=S)Nc2cc(Cl)ncc2[O-])cc1 ZINC001201175125 1135991939 /nfs/dbraw/zinc/99/19/39/1135991939.db2.gz NDUYJHPXLTYQQJ-UHFFFAOYSA-N -1 1 325.846 3.971 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)n1 ZINC001201792085 1136063057 /nfs/dbraw/zinc/06/30/57/1136063057.db2.gz MGGOJRKQFLXFJR-UHFFFAOYSA-N -1 1 348.468 3.742 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1ccccc1Cl ZINC001202052869 1136086530 /nfs/dbraw/zinc/08/65/30/1136086530.db2.gz DUUOJNMNCOYVGE-UHFFFAOYSA-N -1 1 328.759 3.875 20 0 EHADMM Cc1ccncc1CN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338916241 1136161689 /nfs/dbraw/zinc/16/16/89/1136161689.db2.gz RZSYOGOEMJYCCM-UHFFFAOYSA-N -1 1 341.798 3.569 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1CCC(C(C)C)CC1 ZINC000771761161 1136191956 /nfs/dbraw/zinc/19/19/56/1136191956.db2.gz YBDAPOQVYLGLAB-UHFFFAOYSA-N -1 1 333.476 3.806 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000813782115 1136361845 /nfs/dbraw/zinc/36/18/45/1136361845.db2.gz WSKHCEVQVCHVIY-JSGCOSHPSA-N -1 1 333.476 3.901 20 0 EHADMM CC(C)(C)c1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000814867196 1136517761 /nfs/dbraw/zinc/51/77/61/1136517761.db2.gz UCTDLEQMXHCEIT-UHFFFAOYSA-N -1 1 339.439 3.579 20 0 EHADMM O=C1OCCN1c1cc(NCc2cccc([O-])c2Cl)ccc1F ZINC000815138587 1136561055 /nfs/dbraw/zinc/56/10/55/1136561055.db2.gz XOUAXOJRYTVRGX-UHFFFAOYSA-N -1 1 336.750 3.753 20 0 EHADMM Cc1ccc(N2CCOCC2)cc1NCc1cccc([O-])c1Cl ZINC000815139182 1136561341 /nfs/dbraw/zinc/56/13/41/1136561341.db2.gz ANHQOPNKASKYSQ-UHFFFAOYSA-N -1 1 332.831 3.803 20 0 EHADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111668707 1136569799 /nfs/dbraw/zinc/56/97/99/1136569799.db2.gz XHLVAAZXDBQYHS-HZMBPMFUSA-N -1 1 344.798 3.892 20 0 EHADMM CCCCCC[C@H](CC)CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000853868628 1136571300 /nfs/dbraw/zinc/57/13/00/1136571300.db2.gz SDSZWXTWBURLSN-HNNXBMFYSA-N -1 1 343.471 3.992 20 0 EHADMM CN(C)c1ccc(C2(c3nc(-c4ccc([O-])c(F)c4)no3)CC2)cc1 ZINC000815685617 1136628720 /nfs/dbraw/zinc/62/87/20/1136628720.db2.gz BJPZJQJCOWDHMA-UHFFFAOYSA-N -1 1 339.370 3.727 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC001135399171 1136676866 /nfs/dbraw/zinc/67/68/66/1136676866.db2.gz DPJMIUQNBFHRTH-UHFFFAOYSA-N -1 1 342.420 3.715 20 0 EHADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)c([O-])c2)cc1OC ZINC001135400565 1136677306 /nfs/dbraw/zinc/67/73/06/1136677306.db2.gz ZGOADIOXKAEJNS-OAHLLOKOSA-N -1 1 345.370 3.526 20 0 EHADMM CCOC(=O)COc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000816568504 1136738471 /nfs/dbraw/zinc/73/84/71/1136738471.db2.gz IIUNRDQNGQYEOU-UHFFFAOYSA-N -1 1 335.787 3.600 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 ZINC001135998042 1136836788 /nfs/dbraw/zinc/83/67/88/1136836788.db2.gz FLWCSEDTQVIATL-UHFFFAOYSA-N -1 1 339.366 3.582 20 0 EHADMM CC(C)C[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000857439754 1136870764 /nfs/dbraw/zinc/87/07/64/1136870764.db2.gz DSOGCRJONWCOLW-GFCCVEGCSA-N -1 1 336.432 3.904 20 0 EHADMM Cc1ncc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)o1 ZINC000857535876 1136881120 /nfs/dbraw/zinc/88/11/20/1136881120.db2.gz RZEMBSVIIUBAEH-UHFFFAOYSA-N -1 1 335.137 3.698 20 0 EHADMM CCCCN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@H]1CCC[C@H](C)C1 ZINC000818803962 1136889950 /nfs/dbraw/zinc/88/99/50/1136889950.db2.gz YKJJMPDQUBMFGM-ZFWWWQNUSA-N -1 1 346.500 3.839 20 0 EHADMM O=C(Nc1ccc(Cl)cc1O)c1cn[nH]c1-c1ccc(F)cc1 ZINC000339007282 1136909029 /nfs/dbraw/zinc/90/90/29/1136909029.db2.gz OMSMJVJQUMNGBZ-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000116221452 1136983026 /nfs/dbraw/zinc/98/30/26/1136983026.db2.gz DGRWFBZJTJFNPG-CYBMUJFWSA-N -1 1 338.521 3.568 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)s1 ZINC000820799498 1137006663 /nfs/dbraw/zinc/00/66/63/1137006663.db2.gz SQCJDSHGYZWMNV-UHFFFAOYSA-N -1 1 337.253 3.813 20 0 EHADMM CN(Cc1cccc(Cl)c1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117318952 1137050291 /nfs/dbraw/zinc/05/02/91/1137050291.db2.gz UEXPAJNNRMCVFE-UHFFFAOYSA-N -1 1 345.859 3.746 20 0 EHADMM CSc1nc(C)c(CCC(=O)Oc2cccc(C3CC3)c2)c(=O)[n-]1 ZINC000822174797 1137051718 /nfs/dbraw/zinc/05/17/18/1137051718.db2.gz XAFDSZHYWWDHCN-UHFFFAOYSA-N -1 1 344.436 3.628 20 0 EHADMM C[C@@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])c1ccccc1 ZINC001136704740 1137093731 /nfs/dbraw/zinc/09/37/31/1137093731.db2.gz KKKYLLNEJXBKKF-CYBMUJFWSA-N -1 1 335.359 3.956 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@@]2(C)CCCS2)c1 ZINC000862388105 1137141933 /nfs/dbraw/zinc/14/19/33/1137141933.db2.gz VDYUVSQVTLKWQW-OAHLLOKOSA-N -1 1 346.418 3.871 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(C1CCC1)C1CCC1 ZINC000862399135 1137142775 /nfs/dbraw/zinc/14/27/75/1137142775.db2.gz LTOSPPMCSQDCKM-UHFFFAOYSA-N -1 1 331.460 3.560 20 0 EHADMM CCc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000863450937 1137187044 /nfs/dbraw/zinc/18/70/44/1137187044.db2.gz QCFSOYXKGIMGKA-UHFFFAOYSA-N -1 1 342.823 3.687 20 0 EHADMM C/C(=C\CN1CCC[C@@H]1c1ccc(Br)cc1C)C(=O)[O-] ZINC000863476142 1137188448 /nfs/dbraw/zinc/18/84/48/1137188448.db2.gz VLYPDSFGSMCTDG-XKOZXHHJSA-N -1 1 338.245 3.925 20 0 EHADMM CC[C@@H](C)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000119542569 1137193471 /nfs/dbraw/zinc/19/34/71/1137193471.db2.gz SEUCGUUWUDLSSW-LLVKDONJSA-N -1 1 342.420 3.741 20 0 EHADMM CC(C)OC(=O)C[C@H](NC(=O)c1cc2ccccc2cc1[O-])C(C)C ZINC001143815540 1137203001 /nfs/dbraw/zinc/20/30/01/1137203001.db2.gz YYJCXMQTNRYPGM-KRWDZBQOSA-N -1 1 343.423 3.642 20 0 EHADMM Cc1ccc(-c2nc(CC[N-]C(=O)C(F)(F)F)cs2)c(C)c1 ZINC000864366716 1137224113 /nfs/dbraw/zinc/22/41/13/1137224113.db2.gz YVIKWYRCCFDEJF-UHFFFAOYSA-N -1 1 328.359 3.648 20 0 EHADMM O=S(=O)([N-]CCC[C@@H]1CC1(Cl)Cl)c1sccc1Cl ZINC000846021663 1137326532 /nfs/dbraw/zinc/32/65/32/1137326532.db2.gz FXLLOXJIKCKXDX-SSDOTTSWSA-N -1 1 348.704 3.654 20 0 EHADMM CC(C)CN(CCC(=O)[O-])Cc1csc(COc2ccccc2)n1 ZINC000846265811 1137344434 /nfs/dbraw/zinc/34/44/34/1137344434.db2.gz OWCIDBFOMCDIPU-UHFFFAOYSA-N -1 1 348.468 3.655 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc(C4CCC4)nc3)cc2)[n-]1 ZINC001148329393 1137422611 /nfs/dbraw/zinc/42/26/11/1137422611.db2.gz NFVGXKOPIQGAHA-UHFFFAOYSA-N -1 1 348.406 3.714 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc4c(ccn4C)c3)cc2)[n-]1 ZINC001148333299 1137422728 /nfs/dbraw/zinc/42/27/28/1137422728.db2.gz UNDILSHSTKHIRN-UHFFFAOYSA-N -1 1 346.390 3.543 20 0 EHADMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC001148371371 1137423361 /nfs/dbraw/zinc/42/33/61/1137423361.db2.gz MXXXYGIYWOPBSI-WBVHZDCISA-N -1 1 346.224 3.615 20 0 EHADMM CN(CCc1cccs1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001148462395 1137425271 /nfs/dbraw/zinc/42/52/71/1137425271.db2.gz XOYKUHYLWOVOPT-UHFFFAOYSA-N -1 1 327.405 3.627 20 0 EHADMM O=C(Nc1noc2cccnc21)c1cccc(-c2ccccc2)c1[O-] ZINC001148861058 1137436498 /nfs/dbraw/zinc/43/64/98/1137436498.db2.gz IYDTYRNNGQYXJB-UHFFFAOYSA-N -1 1 331.331 3.848 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC000869250461 1137443536 /nfs/dbraw/zinc/44/35/36/1137443536.db2.gz OVVJIQRBSDRJRX-QGZVFWFLSA-N -1 1 345.826 3.987 20 0 EHADMM O=C([N-]c1cc(F)cc(F)c1F)c1csc(C(F)(F)F)n1 ZINC000348134741 1137444835 /nfs/dbraw/zinc/44/48/35/1137444835.db2.gz CLOGBCLOHNGLKR-UHFFFAOYSA-N -1 1 326.221 3.832 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2nc(C(C)(C)C)cs2)c1 ZINC000870061722 1137476330 /nfs/dbraw/zinc/47/63/30/1137476330.db2.gz JIHUVIWQXHOHLC-UHFFFAOYSA-N -1 1 347.436 3.748 20 0 EHADMM Cc1ccc(-c2cc([N-]S(=O)(=O)C=Cc3ccc(F)cc3)n[nH]2)o1 ZINC000773278850 1137485026 /nfs/dbraw/zinc/48/50/26/1137485026.db2.gz GCOXVAHLZBRRNQ-CMDGGOBGSA-N -1 1 347.371 3.530 20 0 EHADMM C/C(=C/C(C)(C)C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000773341001 1137521111 /nfs/dbraw/zinc/52/11/11/1137521111.db2.gz OEEVARXCVNTTBR-YPKPFQOOSA-N -1 1 329.440 3.806 20 0 EHADMM O=C(Cc1cc2cc(Cl)ccc2[nH]1)[N-]OCCCC(F)(F)F ZINC000871217471 1137528245 /nfs/dbraw/zinc/52/82/45/1137528245.db2.gz ZCSUCVATHFACRP-UHFFFAOYSA-N -1 1 334.725 3.754 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cnccc2C)cc1C(C)C ZINC000872002708 1137564257 /nfs/dbraw/zinc/56/42/57/1137564257.db2.gz AKDZIJULCVZSKQ-UHFFFAOYSA-N -1 1 334.441 3.713 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1CCCOc2ccccc21 ZINC000872863905 1137585773 /nfs/dbraw/zinc/58/57/73/1137585773.db2.gz LLGBDPXQTSHCPF-OAHLLOKOSA-N -1 1 346.814 3.759 20 0 EHADMM O=S(=O)([N-]CC[C@H]1CCCC1(F)F)c1sccc1Cl ZINC000882591060 1137830014 /nfs/dbraw/zinc/83/00/14/1137830014.db2.gz BBYOVSAMYGXZDQ-MRVPVSSYSA-N -1 1 329.821 3.505 20 0 EHADMM CCO[C@H](C)c1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC000885676019 1138017918 /nfs/dbraw/zinc/01/79/18/1138017918.db2.gz GYZSQQFMRGSTAB-SSDOTTSWSA-N -1 1 344.795 3.991 20 0 EHADMM O=C(NCC[C@H]1CCC2(CCC2)O1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000886053966 1138036012 /nfs/dbraw/zinc/03/60/12/1138036012.db2.gz SQPZZBNSACPZKN-GFCCVEGCSA-N -1 1 343.345 3.633 20 0 EHADMM CCOc1ccncc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Cl ZINC000886402509 1138073624 /nfs/dbraw/zinc/07/36/24/1138073624.db2.gz MORSXSGXZOXINA-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080028512 1138160264 /nfs/dbraw/zinc/16/02/64/1138160264.db2.gz NMRHRUDGDFTMLI-DEOSSOPVSA-N -1 1 349.427 3.831 20 0 EHADMM Cc1cc(Cl)ccc1NC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000085546083 1138184632 /nfs/dbraw/zinc/18/46/32/1138184632.db2.gz CIAKDBOLQZGKKD-UHFFFAOYSA-N -1 1 339.852 3.805 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000337864739 1138684940 /nfs/dbraw/zinc/68/49/40/1138684940.db2.gz NSDWPEOPPFSCHM-UHFFFAOYSA-N -1 1 341.429 3.558 20 0 EHADMM CO[C@@H](C)c1nc(=NCCCO[C@@H]2CCCc3ccccc32)s[n-]1 ZINC000337886434 1138691200 /nfs/dbraw/zinc/69/12/00/1138691200.db2.gz YGEJYWIDQXHXSK-XJKSGUPXSA-N -1 1 347.484 3.564 20 0 EHADMM O=C(Nc1nccn1-c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000338435672 1138913924 /nfs/dbraw/zinc/91/39/24/1138913924.db2.gz AEUIEWBHAUWOHJ-UHFFFAOYSA-N -1 1 328.759 3.875 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCC1CCC(F)(F)CC1 ZINC000890055025 1139307545 /nfs/dbraw/zinc/30/75/45/1139307545.db2.gz RHKMNFRSMKRFGC-UHFFFAOYSA-N -1 1 331.790 3.920 20 0 EHADMM CCc1coc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)n1 ZINC000890403166 1139355767 /nfs/dbraw/zinc/35/57/67/1139355767.db2.gz AIITWUVCYHFMSW-UHFFFAOYSA-N -1 1 325.699 3.618 20 0 EHADMM CCOC(=O)c1c(C)oc2ncnc([N-]c3nc(C4CC4)cs3)c21 ZINC000178861510 1139721581 /nfs/dbraw/zinc/72/15/81/1139721581.db2.gz PCZVUKSFSXPLPK-UHFFFAOYSA-N -1 1 344.396 3.785 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](COC)c2ccccc2)cc(Cl)c1[O-] ZINC000186771966 1140220980 /nfs/dbraw/zinc/22/09/80/1140220980.db2.gz FNTOPRMNNVHMCX-HNNXBMFYSA-N -1 1 349.814 3.562 20 0 EHADMM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000188786374 1140308356 /nfs/dbraw/zinc/30/83/56/1140308356.db2.gz BPIANEDADHENCI-GFCCVEGCSA-N -1 1 347.798 3.713 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2C)cc1 ZINC000096744315 1140788534 /nfs/dbraw/zinc/78/85/34/1140788534.db2.gz UICSRFREXXVPAE-UHFFFAOYSA-N -1 1 331.437 3.951 20 0 EHADMM Cc1noc(CCCSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000274345523 1141499727 /nfs/dbraw/zinc/49/97/27/1141499727.db2.gz QJFUGKDFBAOQLQ-UHFFFAOYSA-N -1 1 342.424 3.574 20 0 EHADMM Cc1ccccc1SCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339121731 1141502799 /nfs/dbraw/zinc/50/27/99/1141502799.db2.gz XLSUFIKMMQEMRU-UHFFFAOYSA-N -1 1 339.420 3.822 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000339160139 1141513784 /nfs/dbraw/zinc/51/37/84/1141513784.db2.gz XPRMBQNHCUISNO-UHFFFAOYSA-N -1 1 338.285 3.622 20 0 EHADMM COc1ccc(-c2cc3[n-]c(CN4CCCC4)nc(=O)c3s2)cc1 ZINC000035361688 202300008 /nfs/dbraw/zinc/30/00/08/202300008.db2.gz NPODVKWNURXWIZ-UHFFFAOYSA-N -1 1 341.436 3.668 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(ccnc3Cl)c2)cc1 ZINC000149845054 564129558 /nfs/dbraw/zinc/12/95/58/564129558.db2.gz INLVEWAPRIFTRL-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000738438101 598956986 /nfs/dbraw/zinc/95/69/86/598956986.db2.gz WJWWLTZIXQPQGX-MGPQQGTHSA-N -1 1 349.442 3.581 20 0 EHADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000738438101 598956988 /nfs/dbraw/zinc/95/69/88/598956988.db2.gz WJWWLTZIXQPQGX-MGPQQGTHSA-N -1 1 349.442 3.581 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000320309689 597078502 /nfs/dbraw/zinc/07/85/02/597078502.db2.gz CPDXDOBACAGVGS-LBPRGKRZSA-N -1 1 334.803 3.682 20 0 EHADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc2oc(C3CC3)nc2c1 ZINC000823767867 607310359 /nfs/dbraw/zinc/31/03/59/607310359.db2.gz ZOQDHWLRYKWSSR-UHFFFAOYSA-N -1 1 338.396 3.559 20 0 EHADMM O=C([O-])c1cccc(CNCc2ccccc2OCc2ccccn2)c1 ZINC000683176914 598194063 /nfs/dbraw/zinc/19/40/63/598194063.db2.gz WTEIAFGNAMUHAB-UHFFFAOYSA-N -1 1 348.402 3.649 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000736136824 598570918 /nfs/dbraw/zinc/57/09/18/598570918.db2.gz HSCFOPIFSGAHNC-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000736136824 598570919 /nfs/dbraw/zinc/57/09/19/598570919.db2.gz HSCFOPIFSGAHNC-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM Clc1cccc2c1CC[C@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737574145 598577080 /nfs/dbraw/zinc/57/70/80/598577080.db2.gz LIUVHWHZTZNCAU-GFCCVEGCSA-N -1 1 347.209 3.668 20 0 EHADMM Clc1cccc2c1CC[C@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737574145 598577081 /nfs/dbraw/zinc/57/70/81/598577081.db2.gz LIUVHWHZTZNCAU-GFCCVEGCSA-N -1 1 347.209 3.668 20 0 EHADMM c1ccc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)cc1 ZINC000738433173 598700939 /nfs/dbraw/zinc/70/09/39/598700939.db2.gz PVFFNNBNVIIOEO-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM C[C@H](c1ccccc1)c1ccc(Oc2nccnc2-c2nn[n-]n2)cc1 ZINC000736202770 598756881 /nfs/dbraw/zinc/75/68/81/598756881.db2.gz LIRCAYLBNYUNEX-CYBMUJFWSA-N -1 1 344.378 3.601 20 0 EHADMM CCSc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736666899 599429123 /nfs/dbraw/zinc/42/91/23/599429123.db2.gz PGCKARUOQXUCFD-LLVKDONJSA-N -1 1 326.429 3.547 20 0 EHADMM CCSc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736666899 599429124 /nfs/dbraw/zinc/42/91/24/599429124.db2.gz PGCKARUOQXUCFD-LLVKDONJSA-N -1 1 326.429 3.547 20 0 EHADMM Clc1ccc2c(c1Cl)CC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737575497 599437563 /nfs/dbraw/zinc/43/75/63/599437563.db2.gz XBEHWRRYBBDNBF-LLVKDONJSA-N -1 1 347.209 3.668 20 0 EHADMM Clc1ccc2c(c1Cl)CC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737575497 599437566 /nfs/dbraw/zinc/43/75/66/599437566.db2.gz XBEHWRRYBBDNBF-LLVKDONJSA-N -1 1 347.209 3.668 20 0 EHADMM COc1ccc(Cl)cc1CN(C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738013388 599709699 /nfs/dbraw/zinc/70/96/99/599709699.db2.gz HFXAGARVAOTGIX-INIZCTEOSA-N -1 1 337.778 3.745 20 0 EHADMM Cc1sc(NC(=O)CN2CCC[C@H]2C(C)(C)C)c(C(=O)[O-])c1C ZINC000738993023 599793201 /nfs/dbraw/zinc/79/32/01/599793201.db2.gz KKCMKBIOQRFSRZ-LBPRGKRZSA-N -1 1 338.473 3.512 20 0 EHADMM O=C([O-])c1coc(CN2CCC[C@H]2Cc2c(F)cccc2Cl)c1 ZINC000740269353 599848954 /nfs/dbraw/zinc/84/89/54/599848954.db2.gz NWTDAGJUSLTUNH-LBPRGKRZSA-N -1 1 337.778 3.977 20 0 EHADMM CN(Cc1ccc(Br)s1)Cc1cccc(C(=O)[O-])c1 ZINC000737486478 599996443 /nfs/dbraw/zinc/99/64/43/599996443.db2.gz MPGJCZRMWIHMLY-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM COc1ccc(F)cc1[C@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738016522 600315172 /nfs/dbraw/zinc/31/51/72/600315172.db2.gz CNDQLNYVEPBCQJ-MGPLVRAMSA-N -1 1 337.778 3.964 20 0 EHADMM O=C([O-])[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)c1ccccc1 ZINC000739511249 600379132 /nfs/dbraw/zinc/37/91/32/600379132.db2.gz FYJURBUKMUQXFJ-LPQFERQCSA-N -1 1 337.404 3.893 20 0 EHADMM O=C([O-])[C@H](NCc1csc(Br)c1)c1ccc(F)cc1 ZINC000739505500 600423507 /nfs/dbraw/zinc/42/35/07/600423507.db2.gz QAXLUFZHSNYJCC-GFCCVEGCSA-N -1 1 344.205 3.565 20 0 EHADMM O=C([O-])CCCOc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000739686930 600506497 /nfs/dbraw/zinc/50/64/97/600506497.db2.gz GPVWVCNMWYJDHG-UHFFFAOYSA-N -1 1 349.770 3.542 20 0 EHADMM COc1ccc(CNc2ccnc3cc(F)ccc32)cc1C(=O)[O-] ZINC000738008804 600638032 /nfs/dbraw/zinc/63/80/32/600638032.db2.gz QIYZNRCOPFNWHJ-UHFFFAOYSA-N -1 1 326.327 3.693 20 0 EHADMM COCCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC(C)C ZINC000563279289 600817892 /nfs/dbraw/zinc/81/78/92/600817892.db2.gz RFDAZPHTGGCUNB-UHFFFAOYSA-N -1 1 348.468 3.613 20 0 EHADMM CN(C[C@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000652400260 600820310 /nfs/dbraw/zinc/82/03/10/600820310.db2.gz HINFLXPMWXKADU-BXUZGUMPSA-N -1 1 332.227 3.620 20 0 EHADMM O=C([O-])c1ccc(OCCN2CCC[C@@H]2c2ccco2)c(Cl)c1 ZINC000580085663 600830608 /nfs/dbraw/zinc/83/06/08/600830608.db2.gz XREMTGYRUDNWGD-CQSZACIVSA-N -1 1 335.787 3.847 20 0 EHADMM COc1ccc2nc(S[C@@H](C(=O)[O-])c3ccccc3F)[nH]c2c1 ZINC000832510206 600832324 /nfs/dbraw/zinc/83/23/24/600832324.db2.gz GOXLTQXPDTYTMX-CQSZACIVSA-N -1 1 332.356 3.629 20 0 EHADMM O=C([O-])c1coc(CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)c1 ZINC000740270139 600992968 /nfs/dbraw/zinc/99/29/68/600992968.db2.gz YTUPEPFMHNYYDQ-UHFFFAOYSA-N -1 1 341.392 3.544 20 0 EHADMM CC(C)n1ccn(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1=S ZINC000736585076 601090198 /nfs/dbraw/zinc/09/01/98/601090198.db2.gz SFQNPTGPFRYCPX-HNNXBMFYSA-N -1 1 347.484 3.780 20 0 EHADMM C/C(=C\CN1CCC[C@H]1c1nc2ccccc2n1C(C)C)C(=O)[O-] ZINC000825742094 601178686 /nfs/dbraw/zinc/17/86/86/601178686.db2.gz VYFJOEOPKKWLLP-SHRNQRGKSA-N -1 1 327.428 3.785 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CSc1nc(-c2ccccc2F)n[nH]1 ZINC000830398990 601405324 /nfs/dbraw/zinc/40/53/24/601405324.db2.gz ZISCUJHOKXTBFJ-UHFFFAOYSA-N -1 1 347.371 3.757 20 0 EHADMM CN(Cc1ccsc1C(=O)[O-])Cc1cccc(Br)c1 ZINC000110955757 601808412 /nfs/dbraw/zinc/80/84/12/601808412.db2.gz DFUXUOHGPVUJNR-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM C[C@H]1CN(Cn2c(-c3ccccc3)csc2=S)C[C@@H]1C(=O)[O-] ZINC000828464451 601817707 /nfs/dbraw/zinc/81/77/07/601817707.db2.gz UZIPUAHZUCNDAR-AAEUAGOBSA-N -1 1 334.466 3.556 20 0 EHADMM CN(Cc1ccc(F)c(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825193 601898131 /nfs/dbraw/zinc/89/81/31/601898131.db2.gz GPYZRWQQFORFAY-HNNXBMFYSA-N -1 1 345.267 3.640 20 0 EHADMM CN(Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825232 601899312 /nfs/dbraw/zinc/89/93/12/601899312.db2.gz JVIDSAUZPNHBMN-OAHLLOKOSA-N -1 1 327.277 3.501 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000824757191 607534034 /nfs/dbraw/zinc/53/40/34/607534034.db2.gz UGZFXPHPLUXDLK-SECBINFHSA-N -1 1 333.367 3.534 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000824757191 607534036 /nfs/dbraw/zinc/53/40/36/607534036.db2.gz UGZFXPHPLUXDLK-SECBINFHSA-N -1 1 333.367 3.534 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1N1CCCC1 ZINC000830819402 601939260 /nfs/dbraw/zinc/93/92/60/601939260.db2.gz JKDQTJFLTQPXGR-UHFFFAOYSA-N -1 1 330.453 3.679 20 0 EHADMM CC[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000825159779 607535138 /nfs/dbraw/zinc/53/51/38/607535138.db2.gz UEDVUDLQMZZECO-OAHLLOKOSA-N -1 1 347.394 3.924 20 0 EHADMM CC[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000825159779 607535140 /nfs/dbraw/zinc/53/51/40/607535140.db2.gz UEDVUDLQMZZECO-OAHLLOKOSA-N -1 1 347.394 3.924 20 0 EHADMM Fc1ccc(Sc2snc(Cl)c2-c2nn[n-]n2)cc1Cl ZINC000826375864 608171605 /nfs/dbraw/zinc/17/16/05/608171605.db2.gz FDOZDVMCIIGRSM-UHFFFAOYSA-N -1 1 348.215 3.920 20 0 EHADMM CC(C)Cc1ncc(CN2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC000833492973 604674023 /nfs/dbraw/zinc/67/40/23/604674023.db2.gz HZWHEVPQNFKNRD-KRWDZBQOSA-N -1 1 330.453 3.526 20 0 EHADMM C[C@H](Oc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1)C(=O)[O-] ZINC000833543237 605079539 /nfs/dbraw/zinc/07/95/39/605079539.db2.gz YDQDOQXICRPHDQ-IGCXYCKISA-N -1 1 329.396 3.545 20 0 EHADMM C/C(=C/CN(Cc1csc(Br)c1)C1CC1)C(=O)[O-] ZINC000833381747 605087217 /nfs/dbraw/zinc/08/72/17/605087217.db2.gz DZFLTCGNOZHHRC-WTKPLQERSA-N -1 1 330.247 3.506 20 0 EHADMM c1cnc(Oc2ccc(Sc3ccncc3)cc2)c(-c2nn[n-]n2)c1 ZINC000823809042 606431393 /nfs/dbraw/zinc/43/13/93/606431393.db2.gz IBBXKPCJQABWFU-UHFFFAOYSA-N -1 1 348.391 3.600 20 0 EHADMM CC(C)[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000820026117 606445919 /nfs/dbraw/zinc/44/59/19/606445919.db2.gz HWSGWHPVWQWVBN-OAHLLOKOSA-N -1 1 328.807 3.724 20 0 EHADMM CC(C)[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000820026117 606445921 /nfs/dbraw/zinc/44/59/21/606445921.db2.gz HWSGWHPVWQWVBN-OAHLLOKOSA-N -1 1 328.807 3.724 20 0 EHADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc2ccccc21 ZINC000820397455 606493441 /nfs/dbraw/zinc/49/34/41/606493441.db2.gz PCAWGDLDJQOZQF-LLVKDONJSA-N -1 1 349.419 3.572 20 0 EHADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc2ccccc21 ZINC000820397455 606493442 /nfs/dbraw/zinc/49/34/42/606493442.db2.gz PCAWGDLDJQOZQF-LLVKDONJSA-N -1 1 349.419 3.572 20 0 EHADMM CCCCc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821077960 606529873 /nfs/dbraw/zinc/52/98/73/606529873.db2.gz YKWNTSRBSPSAQM-UHFFFAOYSA-N -1 1 341.440 3.547 20 0 EHADMM CCCCc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821077960 606529875 /nfs/dbraw/zinc/52/98/75/606529875.db2.gz YKWNTSRBSPSAQM-UHFFFAOYSA-N -1 1 341.440 3.547 20 0 EHADMM Fc1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC000822786423 606763850 /nfs/dbraw/zinc/76/38/50/606763850.db2.gz JWVYXNPLCOJBDY-RMKNXTFCSA-N -1 1 347.762 3.945 20 0 EHADMM Cc1ccc(-c2ncco2)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826273734 607977537 /nfs/dbraw/zinc/97/75/37/607977537.db2.gz RHMYFGNZQQPBHF-UHFFFAOYSA-N -1 1 338.396 3.504 20 0 EHADMM Fc1ccc(Sc2snc(Cl)c2-c2nnn[n-]2)cc1Cl ZINC000826375864 608171603 /nfs/dbraw/zinc/17/16/03/608171603.db2.gz FDOZDVMCIIGRSM-UHFFFAOYSA-N -1 1 348.215 3.920 20 0 EHADMM Fc1cc(Cl)ccc1Oc1snc(Cl)c1-c1nn[n-]n1 ZINC000826372430 608171634 /nfs/dbraw/zinc/17/16/34/608171634.db2.gz VYQKXVBNIYYFHV-UHFFFAOYSA-N -1 1 332.147 3.561 20 0 EHADMM Cc1ccc(C)c(CSc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826284662 608182582 /nfs/dbraw/zinc/18/25/82/608182582.db2.gz AKWVTICUULTQJM-UHFFFAOYSA-N -1 1 337.861 3.886 20 0 EHADMM Cc1ccc(C)c(CSc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826284662 608182583 /nfs/dbraw/zinc/18/25/83/608182583.db2.gz AKWVTICUULTQJM-UHFFFAOYSA-N -1 1 337.861 3.886 20 0 EHADMM Clc1nsc(Nc2cccc3ccsc32)c1-c1nnn[n-]1 ZINC000826354753 608193324 /nfs/dbraw/zinc/19/33/24/608193324.db2.gz SXRHFRPWLYOEHQ-UHFFFAOYSA-N -1 1 334.817 3.935 20 0 EHADMM Clc1nsc(Nc2cccc3ccsc32)c1-c1nn[n-]n1 ZINC000826354753 608193326 /nfs/dbraw/zinc/19/33/26/608193326.db2.gz SXRHFRPWLYOEHQ-UHFFFAOYSA-N -1 1 334.817 3.935 20 0 EHADMM CC(C)(C)Oc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000824119676 608242418 /nfs/dbraw/zinc/24/24/18/608242418.db2.gz NTVPCKGPRWIHTL-UHFFFAOYSA-N -1 1 347.419 3.857 20 0 EHADMM O=C([O-])c1ccc(CNCc2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC001595231026 949349070 /nfs/dbraw/zinc/34/90/70/949349070.db2.gz TVISYNOLFGXLEB-UHFFFAOYSA-N -1 1 344.720 3.742 20 0 EHADMM CC(C)CC(CC(C)C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001574142810 949877036 /nfs/dbraw/zinc/87/70/36/949877036.db2.gz CNBBPIHDGDUSER-UHFFFAOYSA-N -1 1 339.447 3.683 20 0 EHADMM CC(C)CC(CC(C)C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001574142810 949877063 /nfs/dbraw/zinc/87/70/63/949877063.db2.gz CNBBPIHDGDUSER-UHFFFAOYSA-N -1 1 339.447 3.683 20 0 EHADMM O=C([O-])c1ccccc1CNCc1cc(F)ccc1Br ZINC000236459689 949910498 /nfs/dbraw/zinc/91/04/98/949910498.db2.gz SDONSXQYPRQJEI-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302493630 950567443 /nfs/dbraw/zinc/56/74/43/950567443.db2.gz JMYQHPXCLLSKLI-JTNHKYCSSA-N -1 1 326.234 3.553 20 0 EHADMM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC001573882143 950773451 /nfs/dbraw/zinc/77/34/51/950773451.db2.gz UPLFFPFIYJJNDT-UHFFFAOYSA-N -1 1 345.403 3.617 20 0 EHADMM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC001573882143 950773462 /nfs/dbraw/zinc/77/34/62/950773462.db2.gz UPLFFPFIYJJNDT-UHFFFAOYSA-N -1 1 345.403 3.617 20 0 EHADMM O=C([O-])[C@H]1C[C@@H](NCc2cc(Cl)cc3c2OCC3)c2ccccc21 ZINC000417620769 953413841 /nfs/dbraw/zinc/41/38/41/953413841.db2.gz GMAMTDUXHIQYSK-DLBZAZTESA-N -1 1 343.810 3.678 20 0 EHADMM COc1cc(Cl)c(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC000424425879 953482684 /nfs/dbraw/zinc/48/26/84/953482684.db2.gz ZZLFCFJSZCBGQB-LKFCYVNXSA-N -1 1 332.227 3.687 20 0 EHADMM C[C@@H](NC1CCC(C(=O)[O-])CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000859799118 955912508 /nfs/dbraw/zinc/91/25/08/955912508.db2.gz PHTCBJCOYMHIEU-PWQPVHBWSA-N -1 1 349.818 3.684 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(Cl)ccc1Br ZINC000090252751 958094849 /nfs/dbraw/zinc/09/48/49/958094849.db2.gz YVAUUMPBDYZZFN-GFCCVEGCSA-N -1 1 346.652 3.932 20 0 EHADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)[nH]c21 ZINC000168521691 959380147 /nfs/dbraw/zinc/38/01/47/959380147.db2.gz DTLIBNXVSVZKFS-UHFFFAOYSA-N -1 1 349.268 3.532 20 0 EHADMM Cc1ccc(C=Cc2n[nH]c(SCCC3(C(=O)[O-])CCC3)n2)o1 ZINC001574361452 961028263 /nfs/dbraw/zinc/02/82/63/961028263.db2.gz KZROJKKXZYGCNG-AATRIKPKSA-N -1 1 333.413 3.614 20 0 EHADMM CC(C)(C)CC[C@@H]([NH2+]Cc1cccc([O-])c1Br)C(=O)[O-] ZINC000414655043 968341780 /nfs/dbraw/zinc/34/17/80/968341780.db2.gz JLRZYOQOAIOJOZ-LLVKDONJSA-N -1 1 344.249 3.524 20 0 EHADMM COC(=O)c1cc(Br)c([O-])c(Nc2ccoc2C)c1 ZINC001211244481 1019769261 /nfs/dbraw/zinc/76/92/61/1019769261.db2.gz VVHRJWWSVQXCMI-UHFFFAOYSA-N -1 1 326.146 3.586 20 0 EHADMM CCCc1ccc(S(=O)(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC000317654604 970376359 /nfs/dbraw/zinc/37/63/59/970376359.db2.gz UWXVYUHHKPXXQT-UHFFFAOYSA-N -1 1 339.438 3.508 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(-c2ccccc2Cl)on1 ZINC001603390991 973007336 /nfs/dbraw/zinc/00/73/36/973007336.db2.gz FMKLNDOPLYWYTP-RYUDHWBXSA-N -1 1 334.803 3.680 20 0 EHADMM O=C([O-])CC[C@@H](NCc1ccc(Br)o1)c1ccccc1 ZINC000417598600 973964261 /nfs/dbraw/zinc/96/42/61/973964261.db2.gz GHNZVHMOIXSIJR-CYBMUJFWSA-N -1 1 338.201 3.738 20 0 EHADMM Cc1ccc(CNCc2ccccc2CC(=O)[O-])c(Br)c1 ZINC000426679960 974043809 /nfs/dbraw/zinc/04/38/09/974043809.db2.gz KFYCDASIVSOGIR-UHFFFAOYSA-N -1 1 348.240 3.674 20 0 EHADMM CCCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426833596 974050398 /nfs/dbraw/zinc/05/03/98/974050398.db2.gz LIVKZMDGFMSPQY-SFHVURJKSA-N -1 1 331.387 3.920 20 0 EHADMM CCCc1nc(C)c(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])o1 ZINC000563456572 974534829 /nfs/dbraw/zinc/53/48/29/974534829.db2.gz WTDWLNUBNFYKFZ-JKSUJKDBSA-N -1 1 334.460 3.791 20 0 EHADMM CC(C)C[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000575130822 974795351 /nfs/dbraw/zinc/79/53/51/974795351.db2.gz IEHTVEHCCLANGA-LSDHHAIUSA-N -1 1 346.254 3.866 20 0 EHADMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccsc1 ZINC000061368008 1014221305 /nfs/dbraw/zinc/22/13/05/1014221305.db2.gz CGJOYBDFRLOKNF-MRVPVSSYSA-N -1 1 326.215 3.707 20 0 EHADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21 ZINC000460831297 1032086197 /nfs/dbraw/zinc/08/61/97/1032086197.db2.gz KOIMBOQSNZSJTK-UHFFFAOYSA-N -1 1 332.400 3.991 20 0 EHADMM CCOc1c(Cl)cccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000665343260 975958895 /nfs/dbraw/zinc/95/88/95/975958895.db2.gz BNODKUXWAGXUCG-UHFFFAOYSA-N -1 1 325.836 3.816 20 0 EHADMM CC(C)c1[nH]c(CN2CC[C@H](C(F)(F)F)C[C@H]2C)cc1C(=O)[O-] ZINC001591912326 976341956 /nfs/dbraw/zinc/34/19/56/976341956.db2.gz KGRWMAHGACJZCC-MNOVXSKESA-N -1 1 332.366 3.999 20 0 EHADMM CC(C)c1nnc(CNC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC001592060596 976805397 /nfs/dbraw/zinc/80/53/97/976805397.db2.gz RRJFIEWIBZDECT-AWEZNQCLSA-N -1 1 345.468 3.569 20 0 EHADMM CC(C)n1ncc2c1[C@H](NCc1cc(C(=O)[O-])ccc1Cl)CCC2 ZINC001592157566 977034829 /nfs/dbraw/zinc/03/48/29/977034829.db2.gz JTZFRQZKGDMHGV-MRXNPFEDSA-N -1 1 347.846 3.983 20 0 EHADMM C[C@@H](CN(Cc1nc2c(s1)CCCC2)Cc1ccccc1)C(=O)[O-] ZINC001592604575 978544278 /nfs/dbraw/zinc/54/42/78/978544278.db2.gz HFIQSQAIOWHBKS-AWEZNQCLSA-N -1 1 344.480 3.745 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc(C)c1F ZINC000460837759 1032095910 /nfs/dbraw/zinc/09/59/10/1032095910.db2.gz TVUPCRUEELBTHK-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C[C@@H](O)c1cccc(Cl)c1 ZINC000851707758 979576893 /nfs/dbraw/zinc/57/68/93/979576893.db2.gz KAABZXGSSIUMEI-OKZBNKHCSA-N -1 1 345.826 3.664 20 0 EHADMM C[C@H](Cc1ccc(NC(=O)c2c(O)cccc2Cl)cc1)C(=O)[O-] ZINC001592873516 979735772 /nfs/dbraw/zinc/73/57/72/979735772.db2.gz VJKNPQZCLHRGCV-SNVBAGLBSA-N -1 1 333.771 3.561 20 0 EHADMM CC(F)(F)c1ccc(CNCc2ccccc2OCC(=O)[O-])cc1 ZINC001592944103 980019126 /nfs/dbraw/zinc/01/91/26/980019126.db2.gz JVNVOPDMLWCQNW-UHFFFAOYSA-N -1 1 335.350 3.552 20 0 EHADMM CCC1(C)CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000227452803 1014669928 /nfs/dbraw/zinc/66/99/28/1014669928.db2.gz QNFKZYIPTGNHEO-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM O=C([O-])c1ccc(F)c2c1CN(CCc1cccc(Cl)c1)CC2 ZINC000901922815 980628767 /nfs/dbraw/zinc/62/87/67/980628767.db2.gz WUEPAEVETQJVNO-UHFFFAOYSA-N -1 1 333.790 3.778 20 0 EHADMM O=C([O-])c1cnc(C2CCN(C/C=C/c3ccc(F)cc3)CC2)s1 ZINC000901929145 980634841 /nfs/dbraw/zinc/63/48/41/980634841.db2.gz AYIDYMXKTKRRIA-OWOJBTEDSA-N -1 1 346.427 3.873 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CNCc1cccc(COC(C)(C)C)c1 ZINC000902214495 980785433 /nfs/dbraw/zinc/78/54/33/980785433.db2.gz WMMQUFDOFKOGGW-UHFFFAOYSA-N -1 1 331.412 3.891 20 0 EHADMM Cc1ccc2oc(CNCc3ccc(O[C@@H](C)C(=O)[O-])cc3)cc2c1 ZINC000902257686 980802433 /nfs/dbraw/zinc/80/24/33/980802433.db2.gz BIZGPCDWDMANHU-AWEZNQCLSA-N -1 1 339.391 3.883 20 0 EHADMM C[C@@H](Oc1ccc(CNC2(c3ccccc3Cl)CC2)cc1)C(=O)[O-] ZINC000902363758 980853326 /nfs/dbraw/zinc/85/33/26/980853326.db2.gz KZXMUXRNDLPGDF-CYBMUJFWSA-N -1 1 345.826 3.971 20 0 EHADMM O=C([O-])c1cc(CN2CCCCC[C@H]2/C=C\c2ccccc2)on1 ZINC000902525981 980921942 /nfs/dbraw/zinc/92/19/42/980921942.db2.gz PEYDMIOZDFYKSF-SNGWPZLWSA-N -1 1 326.396 3.831 20 0 EHADMM CCc1nc2c(s1)[C@H](N(C)Cc1ccc(/C=C/C(=O)[O-])o1)CCC2 ZINC000902528478 980922736 /nfs/dbraw/zinc/92/27/36/980922736.db2.gz HCDATEVSVDTNCH-BOLDSZDNSA-N -1 1 346.452 3.906 20 0 EHADMM CN(Cc1cc(C(=O)[O-])ccc1Br)C[C@@H]1CC1(C)C ZINC000903909135 981033624 /nfs/dbraw/zinc/03/36/24/981033624.db2.gz GEYYEPGCNHPLAV-LBPRGKRZSA-N -1 1 326.234 3.625 20 0 EHADMM C[C@@H]1C[C@@H]1[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000905726200 981124529 /nfs/dbraw/zinc/12/45/29/981124529.db2.gz LCNZOQDSKMCLSN-ZTFRIQLXSA-N -1 1 330.815 3.920 20 0 EHADMM CCC[C@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC001595622325 981708796 /nfs/dbraw/zinc/70/87/96/981708796.db2.gz NVCHXGXVLDNJPT-ZDUSSCGKSA-N -1 1 338.473 3.514 20 0 EHADMM CCC[C@@H]1CCCN([C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001595622585 981712174 /nfs/dbraw/zinc/71/21/74/981712174.db2.gz UXLOPUYCAIMBGG-QWHCGFSZSA-N -1 1 338.473 3.594 20 0 EHADMM Cc1cc(NC(=O)c2ccc(CN3CCCCC3)o2)cc(C(=O)[O-])c1 ZINC000911068693 982223785 /nfs/dbraw/zinc/22/37/85/982223785.db2.gz NZAYGZJCODHSNW-UHFFFAOYSA-N -1 1 342.395 3.524 20 0 EHADMM CCCc1nc(C)cc(OCCC2SCCS2)c1C(=O)[O-] ZINC001596089166 983411292 /nfs/dbraw/zinc/41/12/92/983411292.db2.gz CEZXDFNXWPGZGC-UHFFFAOYSA-N -1 1 327.471 3.616 20 0 EHADMM O=c1cc(C(F)F)nc(SCc2cncc(C(F)(F)F)c2)[n-]1 ZINC000460856770 1032106664 /nfs/dbraw/zinc/10/66/64/1032106664.db2.gz GHAGYQLNZOGWRQ-UHFFFAOYSA-N -1 1 337.273 3.826 20 0 EHADMM CCN(CCc1cccs1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001596352800 983813262 /nfs/dbraw/zinc/81/32/62/983813262.db2.gz VPIALWHSKAUDHX-ZDUSSCGKSA-N -1 1 348.468 3.527 20 0 EHADMM CCN(Cc1cc(OC)c(C(=O)[O-])cc1Br)C1CCC1 ZINC001596356501 983825106 /nfs/dbraw/zinc/82/51/06/983825106.db2.gz QNJJHMVFSZRPMO-UHFFFAOYSA-N -1 1 342.233 3.530 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCC[C@@H]2CCC2CCCC2)c(C)c1C(=O)[O-] ZINC001599946201 985531592 /nfs/dbraw/zinc/53/15/92/985531592.db2.gz XBTCHAHGNAKTMA-MRXNPFEDSA-N -1 1 346.471 3.947 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000157674089 1015186343 /nfs/dbraw/zinc/18/63/43/1015186343.db2.gz XUQUPZCAGQZQEX-UHFFFAOYSA-N -1 1 345.342 3.612 20 0 EHADMM Cc1ccc(-c2nc(CN3C[C@@H](C(=O)[O-])CC[C@H]3C)cs2)cc1 ZINC000263521902 1125495864 /nfs/dbraw/zinc/49/58/64/1125495864.db2.gz RIMQPPSANQHSJR-HIFRSBDPSA-N -1 1 330.453 3.804 20 0 EHADMM CCOc1ccc([C@@H](C)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1 ZINC001597074797 986603252 /nfs/dbraw/zinc/60/32/52/986603252.db2.gz UZVKWIOTKGQBTC-GFCCVEGCSA-N -1 1 339.395 3.511 20 0 EHADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc2ccccc2c1 ZINC000047211525 1015234763 /nfs/dbraw/zinc/23/47/63/1015234763.db2.gz ARRFKMSYBMSYLG-UHFFFAOYSA-N -1 1 335.388 3.584 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(OC2CCCC2)CC1 ZINC000630874360 1125496662 /nfs/dbraw/zinc/49/66/62/1125496662.db2.gz NBSNQZQJMOAYFK-UHFFFAOYSA-N -1 1 337.847 3.538 20 0 EHADMM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)cc1OC ZINC001597101567 986720169 /nfs/dbraw/zinc/72/01/69/986720169.db2.gz ZUVVAUSGRSWMBE-QGZVFWFLSA-N -1 1 349.814 3.663 20 0 EHADMM CCSc1cccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001597277219 987333934 /nfs/dbraw/zinc/33/39/34/987333934.db2.gz KFJQJDJOBXIPQD-UHFFFAOYSA-N -1 1 336.844 3.835 20 0 EHADMM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc4nc[nH]c4c3)c([O-])c2)o1 ZINC001625807258 1015305253 /nfs/dbraw/zinc/30/52/53/1015305253.db2.gz UKLZCNQTOHHFCJ-UHFFFAOYSA-N -1 1 347.330 3.593 20 0 EHADMM CCc1[nH]c(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC001597383906 987585658 /nfs/dbraw/zinc/58/56/58/987585658.db2.gz GWNRUCKKIRZMBL-KPZWWZAWSA-N -1 1 330.403 3.998 20 0 EHADMM CCc1[nH]c(CN2CC=C(c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC001597384934 987591667 /nfs/dbraw/zinc/59/16/67/987591667.db2.gz OTLLNEAAMQCFCK-UHFFFAOYSA-N -1 1 328.387 3.704 20 0 EHADMM CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C(=O)[O-])n2C)o1 ZINC001597518263 988136686 /nfs/dbraw/zinc/13/66/86/988136686.db2.gz RXXUDEKHVWEZCG-SUMWQHHRSA-N -1 1 330.428 3.852 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001597763220 989203256 /nfs/dbraw/zinc/20/32/56/989203256.db2.gz SLCXOPSRCFFKQE-OCCSQVGLSA-N -1 1 332.227 3.556 20 0 EHADMM CC(C)(C)c1cccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001590498830 990110110 /nfs/dbraw/zinc/11/01/10/990110110.db2.gz KJGPKIDUVNXUPE-UHFFFAOYSA-N -1 1 337.379 3.811 20 0 EHADMM O=C(NC1CC=CC1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000683260909 1015593243 /nfs/dbraw/zinc/59/32/43/1015593243.db2.gz GFMOZGJFKYRJAS-UHFFFAOYSA-N -1 1 346.386 3.769 20 0 EHADMM COc1cccc2c(CN[C@H](C(=O)[O-])c3cccs3)cccc12 ZINC001599689966 991052618 /nfs/dbraw/zinc/05/26/18/991052618.db2.gz XNTZTYYEZWPCRV-KRWDZBQOSA-N -1 1 327.405 3.825 20 0 EHADMM CC(C)COc1ccccc1CN1CCc2cccc(C(=O)[O-])c2C1 ZINC001591409279 992484123 /nfs/dbraw/zinc/48/41/23/992484123.db2.gz ASNQVXPDTFAPHT-UHFFFAOYSA-N -1 1 339.435 3.978 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2cnc(-c3cccnc3)s2)s1 ZINC000535624923 1015779791 /nfs/dbraw/zinc/77/97/91/1015779791.db2.gz PLGRZQXEUTWCEN-UHFFFAOYSA-N -1 1 345.453 3.652 20 0 EHADMM COc1ccc(SCCN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001599619385 994060020 /nfs/dbraw/zinc/06/00/20/994060020.db2.gz NBRZPXSBEIKMSX-UHFFFAOYSA-N -1 1 335.425 3.519 20 0 EHADMM C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)c1ccc(C(=O)[O-])o1 ZINC001593194884 994142889 /nfs/dbraw/zinc/14/28/89/994142889.db2.gz ARDCYQPFLIANHC-NXEZZACHSA-N -1 1 325.311 3.991 20 0 EHADMM C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593197377 994162914 /nfs/dbraw/zinc/16/29/14/994162914.db2.gz JRXGDTWAHILQGW-RYUDHWBXSA-N -1 1 335.350 3.840 20 0 EHADMM C[C@@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1cc(C(=O)[O-])cs1 ZINC001593208306 994224175 /nfs/dbraw/zinc/22/41/75/994224175.db2.gz AUPDXVLSXXDMJP-PXAZEXFGSA-N -1 1 341.436 3.620 20 0 EHADMM C[C@@H](NCc1ccc(F)cc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001593298299 994712615 /nfs/dbraw/zinc/71/26/15/994712615.db2.gz HPUOSVDCMDLEIR-LLVKDONJSA-N -1 1 337.778 3.793 20 0 EHADMM C[C@@H](NCc1ccc(Cl)s1)c1ccccc1OCC(=O)[O-] ZINC001593299000 994718648 /nfs/dbraw/zinc/71/86/48/994718648.db2.gz PBHGIWBNHUJEIQ-SNVBAGLBSA-N -1 1 325.817 3.716 20 0 EHADMM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc2ccccc2n1 ZINC001593304988 994757377 /nfs/dbraw/zinc/75/73/77/994757377.db2.gz SQEIAWGJTWAHAW-AWEZNQCLSA-N -1 1 336.391 3.549 20 0 EHADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC001593317531 994819617 /nfs/dbraw/zinc/81/96/17/994819617.db2.gz 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C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182060676 1017051106 /nfs/dbraw/zinc/05/11/06/1017051106.db2.gz ADJBEDSBFXNXIA-SNVBAGLBSA-N -1 1 339.313 3.950 20 0 EHADMM Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1F ZINC000485109532 1032320514 /nfs/dbraw/zinc/32/05/14/1032320514.db2.gz QFNCZHSJBQCABQ-UHFFFAOYSA-N -1 1 336.326 3.918 20 0 EHADMM CO[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1(C)C ZINC000584422375 1032500189 /nfs/dbraw/zinc/50/01/89/1032500189.db2.gz UWYLCJJVCRXCNJ-ZIAGYGMSSA-N -1 1 346.254 3.866 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000655282739 1017751042 /nfs/dbraw/zinc/75/10/42/1017751042.db2.gz VAWIAXQBQDOVEF-ZDUSSCGKSA-N -1 1 343.345 3.585 20 0 EHADMM COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1cncc([O-])c1 ZINC000606535841 1032743648 /nfs/dbraw/zinc/74/36/48/1032743648.db2.gz HCBJEGYDUXGACY-MRXNPFEDSA-N -1 1 348.830 3.966 20 0 EHADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000177718412 1018460730 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1021391026 /nfs/dbraw/zinc/39/10/26/1021391026.db2.gz XZJBZMRZWNCJKG-VIFPVBQESA-N -1 1 325.286 3.624 20 0 EHADMM O=C(C(=O)N(Cc1ccc2ccccc2c1)C1CC1)c1ccc([O-])cc1 ZINC000436934177 1021396218 /nfs/dbraw/zinc/39/62/18/1021396218.db2.gz RZANEEHQDCBXCC-UHFFFAOYSA-N -1 1 345.398 3.919 20 0 EHADMM O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c([O-])cccc1F ZINC000436944633 1021405378 /nfs/dbraw/zinc/40/53/78/1021405378.db2.gz NHWFCRFMTBYEAE-GXFFZTMASA-N -1 1 339.288 3.836 20 0 EHADMM CC(C)(C)OCc1cccc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000436945863 1021405616 /nfs/dbraw/zinc/40/56/16/1021405616.db2.gz QQTPGVRPHOUGSN-UHFFFAOYSA-N -1 1 331.387 3.776 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2cc(OC3CCC3)ccn2)no1 ZINC000436944720 1021406153 /nfs/dbraw/zinc/40/61/53/1021406153.db2.gz CCQMWDPPXQIFBV-UHFFFAOYSA-N -1 1 327.315 3.575 20 0 EHADMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436980524 1021436738 /nfs/dbraw/zinc/43/67/38/1021436738.db2.gz NMEJNDISSLYNSD-MRVPVSSYSA-N -1 1 329.240 3.872 20 0 EHADMM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccc(O)cc1[O-] ZINC000436997751 1021454980 /nfs/dbraw/zinc/45/49/80/1021454980.db2.gz ABMSOKFYRQYIED-UHFFFAOYSA-N -1 1 349.390 3.550 20 0 EHADMM COCCCC[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000437006606 1021463134 /nfs/dbraw/zinc/46/31/34/1021463134.db2.gz YJHHOAPYSGAPDH-GOSISDBHSA-N -1 1 331.387 3.819 20 0 EHADMM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1ncc(C)cc1[O-] ZINC000341354835 1021512311 /nfs/dbraw/zinc/51/23/11/1021512311.db2.gz FKHGQGFNUHWQLS-XJKSGUPXSA-N -1 1 340.423 3.718 20 0 EHADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ncccc1[O-] ZINC000426452470 1021622209 /nfs/dbraw/zinc/62/22/09/1021622209.db2.gz WFGJEVIFXQISNX-VIFPVBQESA-N -1 1 325.195 3.927 20 0 EHADMM CC(C)CN(Cc1ccccc1F)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426479181 1021683170 /nfs/dbraw/zinc/68/31/70/1021683170.db2.gz HOBFTBVLKOEMFD-UHFFFAOYSA-N -1 1 347.459 3.577 20 0 EHADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000516917559 1021851667 /nfs/dbraw/zinc/85/16/67/1021851667.db2.gz 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1022193459 /nfs/dbraw/zinc/19/34/59/1022193459.db2.gz LQJQZCLQEGPSOE-UHFFFAOYSA-N -1 1 339.750 3.844 20 0 EHADMM O=C(N[C@H]1CCc2ccccc21)c1cc(Br)ccc1[O-] ZINC000048405710 1022330819 /nfs/dbraw/zinc/33/08/19/1022330819.db2.gz MYSNDLGOHVLZHV-AWEZNQCLSA-N -1 1 332.197 3.572 20 0 EHADMM CCc1[n-][nH]c(=NC(=O)c2cccc3ccccc32)c1Br ZINC000473970430 1022429012 /nfs/dbraw/zinc/42/90/12/1022429012.db2.gz MRTLKCHNCVECGE-UHFFFAOYSA-N -1 1 344.212 3.562 20 0 EHADMM CCc1[nH]nc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000438242083 1022484185 /nfs/dbraw/zinc/48/41/85/1022484185.db2.gz ZYQQVCGNDATVJG-UHFFFAOYSA-N -1 1 348.255 3.529 20 0 EHADMM [O-]c1ccc(-c2noc(-c3csc(-c4ccoc4)n3)n2)cc1F ZINC000445483079 1022686101 /nfs/dbraw/zinc/68/61/01/1022686101.db2.gz VAWUVRDWJKRIAN-UHFFFAOYSA-N -1 1 329.312 3.965 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1F ZINC000188561580 1022826001 /nfs/dbraw/zinc/82/60/01/1022826001.db2.gz RKCNKWISKLOKFS-UHFFFAOYSA-N -1 1 345.342 3.747 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000476276378 1033091309 /nfs/dbraw/zinc/09/13/09/1033091309.db2.gz MDFNKPYJASLFDI-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM CCOc1cc(-c2noc([C@@H]3CC[C@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000664846589 1022918797 /nfs/dbraw/zinc/91/87/97/1022918797.db2.gz RGNCRARTTLZYGM-KOLCDFICSA-N -1 1 338.791 3.777 20 0 EHADMM C[C@@H]1CC[C@@H](NC(=O)c2cc(Br)ccc2[O-])C[C@H]1C ZINC000300438870 1022961184 /nfs/dbraw/zinc/96/11/84/1022961184.db2.gz OEYYUNFLTCZRGJ-CKYFFXLPSA-N -1 1 326.234 3.709 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000438762907 1022976731 /nfs/dbraw/zinc/97/67/31/1022976731.db2.gz IOOVUTROKYVDGV-UHFFFAOYSA-N -1 1 329.343 3.901 20 0 EHADMM Cc1cc(C)cc([C@@H](NCc2ccccc2Br)C(=O)[O-])c1 ZINC000426740778 1023009262 /nfs/dbraw/zinc/00/92/62/1023009262.db2.gz BTMGTHRUMGYWTD-MRXNPFEDSA-N -1 1 348.240 3.981 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(Cl)ccc2F)c1 ZINC000426776787 1023039680 /nfs/dbraw/zinc/03/96/80/1023039680.db2.gz ZYKPXPNTTSCJIE-INIZCTEOSA-N -1 1 337.778 3.793 20 0 EHADMM COc1c(Cl)cc(Cl)cc1CN[C@@H](C(=O)[O-])c1ccsc1 ZINC000426791367 1023050836 /nfs/dbraw/zinc/05/08/36/1023050836.db2.gz IBZALPCCCOFFQK-GFCCVEGCSA-N -1 1 346.235 3.979 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc(Br)cs2)o1 ZINC000426812070 1023061853 /nfs/dbraw/zinc/06/18/53/1023061853.db2.gz WPEZAJFRMQRXJH-NSHDSACASA-N -1 1 344.230 3.718 20 0 EHADMM C[C@H]1CCc2nc(CN[C@@H](CC(=O)[O-])c3ccccc3)sc2C1 ZINC000426833923 1023080578 /nfs/dbraw/zinc/08/05/78/1023080578.db2.gz MLKDGUPODIYMJL-WFASDCNBSA-N -1 1 330.453 3.574 20 0 EHADMM C[C@@H]1CCc2nc(CN[C@H](CC(=O)[O-])c3ccccc3)sc2C1 ZINC000426833921 1023081723 /nfs/dbraw/zinc/08/17/23/1023081723.db2.gz MLKDGUPODIYMJL-IUODEOHRSA-N -1 1 330.453 3.574 20 0 EHADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1C ZINC000509589373 1023094449 /nfs/dbraw/zinc/09/44/49/1023094449.db2.gz ZRZILGAEFCJWDC-UHFFFAOYSA-N -1 1 348.449 3.723 20 0 EHADMM CN(CC(=O)Nc1cccc(Cl)c1)Cc1cccc([O-])c1Cl ZINC000507212927 1023190713 /nfs/dbraw/zinc/19/07/13/1023190713.db2.gz OCPQRSPIZKFGBJ-UHFFFAOYSA-N -1 1 339.222 3.770 20 0 EHADMM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(O)cc1[O-] ZINC000439053079 1023243575 /nfs/dbraw/zinc/24/35/75/1023243575.db2.gz FSJQMAUWTFDAIQ-UHFFFAOYSA-N -1 1 329.396 3.974 20 0 EHADMM O=C(CCc1cc(F)ccc1F)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000507349071 1023259063 /nfs/dbraw/zinc/25/90/63/1023259063.db2.gz NZYLUHXEHPENNH-UHFFFAOYSA-N -1 1 343.333 3.632 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(C)c1 ZINC000548477924 1023443010 /nfs/dbraw/zinc/44/30/10/1023443010.db2.gz SNVZAORHYOKFFX-UHFFFAOYSA-N -1 1 330.409 3.676 20 0 EHADMM CCC1(c2ccccc2)CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000458226919 1023649952 /nfs/dbraw/zinc/64/99/52/1023649952.db2.gz KTUNFBATUCHQTP-UHFFFAOYSA-N -1 1 345.826 3.858 20 0 EHADMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc2C)n1 ZINC000150804581 1023955898 /nfs/dbraw/zinc/95/58/98/1023955898.db2.gz ZWXWEDCNIWHXQB-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1cc(Br)c(CN2CCC(CCC(=O)[O-])CC2)s1 ZINC000665343337 1024051917 /nfs/dbraw/zinc/05/19/17/1024051917.db2.gz FFHIQQAJCIGBDB-UHFFFAOYSA-N -1 1 346.290 3.896 20 0 EHADMM O=C([N-]c1cc(Cl)cc(F)c1F)c1ncoc1[C@H]1CCCO1 ZINC000441566934 1024091087 /nfs/dbraw/zinc/09/10/87/1024091087.db2.gz ROIVNAZBYKPFJL-SNVBAGLBSA-N -1 1 328.702 3.710 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000417571726 1024092544 /nfs/dbraw/zinc/09/25/44/1024092544.db2.gz XXAWRAUGQXDKLQ-SKDRFNHKSA-N -1 1 344.358 3.714 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(F)ccc1[O-] ZINC000094130396 1024215794 /nfs/dbraw/zinc/21/57/94/1024215794.db2.gz YCOHQZXTBBSWPQ-PIGZYNQJSA-N -1 1 349.789 3.787 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N(CCCO)Cc1ccccc1 ZINC000092762935 1024244616 /nfs/dbraw/zinc/24/46/16/1024244616.db2.gz FZUTXDVAOKUWLM-UHFFFAOYSA-N -1 1 335.403 3.570 20 0 EHADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1csc(C(F)(F)F)n1 ZINC000193799765 1024357142 /nfs/dbraw/zinc/35/71/42/1024357142.db2.gz WHGWQCVUXCBUKQ-UHFFFAOYSA-N -1 1 345.350 3.511 20 0 EHADMM CCc1nc(SCCc2nsc3ccccc23)[n-]c(=O)c1C ZINC000657264570 1024440062 /nfs/dbraw/zinc/44/00/62/1024440062.db2.gz VQGNCXURHYDSFM-UHFFFAOYSA-N -1 1 331.466 3.998 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(CC(C)C)s2)c1 ZINC000277292417 1024471852 /nfs/dbraw/zinc/47/18/52/1024471852.db2.gz MOHXSKDAALCIJJ-MRXNPFEDSA-N -1 1 348.468 3.656 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cc3cccnc3c(OC)c2)cc1 ZINC000427626701 1024485652 /nfs/dbraw/zinc/48/56/52/1024485652.db2.gz SCEWPGYTHGTCRZ-UHFFFAOYSA-N -1 1 342.420 3.607 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000607615810 1033217921 /nfs/dbraw/zinc/21/79/21/1033217921.db2.gz QIIFIWTUZZXEGF-UHFFFAOYSA-N -1 1 345.342 3.601 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c(F)c1 ZINC000548611382 1024691590 /nfs/dbraw/zinc/69/15/90/1024691590.db2.gz RLRPPOIDDRRFCD-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001141833410 1024731388 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Cc1nc(-c2ccc(N[C@@H]3CCS[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000896247586 1025277239 /nfs/dbraw/zinc/27/72/39/1025277239.db2.gz UWRSEAGASLAELR-IINYFYTJSA-N -1 1 330.457 3.557 20 0 EHADMM CC[C@H](CC(=O)Nc1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000505743233 1025300391 /nfs/dbraw/zinc/30/03/91/1025300391.db2.gz DLMIJDCNYVWHEN-CYBMUJFWSA-N -1 1 327.380 3.701 20 0 EHADMM O=C(Nc1nnc(-c2ccsc2)s1)c1cc2[nH]cnc2cc1F ZINC000342421980 1025350166 /nfs/dbraw/zinc/35/01/66/1025350166.db2.gz YBPJDBHQZCKEEY-UHFFFAOYSA-N -1 1 345.384 3.534 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2cncn2Cc2ccccc2)n1 ZINC000436118241 1025389874 /nfs/dbraw/zinc/38/98/74/1025389874.db2.gz MHXARVIAVMEDGV-UHFFFAOYSA-N -1 1 340.452 3.672 20 0 EHADMM CC[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442967820 1025628615 /nfs/dbraw/zinc/62/86/15/1025628615.db2.gz OLEJDHVHOZUXJF-CQSZACIVSA-N -1 1 333.815 3.805 20 0 EHADMM C[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)Cc1cccs1 ZINC000451248325 1025722937 /nfs/dbraw/zinc/72/29/37/1025722937.db2.gz 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XLWKKDUZOVSJIB-UHFFFAOYSA-N -1 1 331.315 3.573 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(c2cccc(F)c2)CC1 ZINC000343015701 1028666154 /nfs/dbraw/zinc/66/61/54/1028666154.db2.gz PWOJSXUGIPYTMJ-UHFFFAOYSA-N -1 1 337.354 3.592 20 0 EHADMM [O-]c1ccc(-c2noc(CCCOCCc3ccccc3)n2)c(F)c1 ZINC000278062333 1028745393 /nfs/dbraw/zinc/74/53/93/1028745393.db2.gz DWBYASMRXJEYCN-UHFFFAOYSA-N -1 1 342.370 3.773 20 0 EHADMM CCOc1cc(-c2noc(CCc3ccoc3)n2)cc(Cl)c1[O-] ZINC000445414013 1028775310 /nfs/dbraw/zinc/77/53/10/1028775310.db2.gz XSCPQMKBNJNIJK-UHFFFAOYSA-N -1 1 334.759 3.873 20 0 EHADMM COc1ccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)cc1C ZINC000445451695 1028785391 /nfs/dbraw/zinc/78/53/91/1028785391.db2.gz JBHNJZCESPHBKZ-UHFFFAOYSA-N -1 1 346.770 3.992 20 0 EHADMM Cc1nn(C)c(C)c1[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445442599 1028798002 /nfs/dbraw/zinc/79/80/02/1028798002.db2.gz DAWNYWJRKKRFEA-QMMMGPOBSA-N -1 1 332.791 3.598 20 0 EHADMM COc1ccc(OC)c(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445477012 1028835502 /nfs/dbraw/zinc/83/55/02/1028835502.db2.gz LGUCPYKVUYHIMW-XBXARRHUSA-N -1 1 342.326 3.769 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3ccccc3OC(F)F)n2)cc1F ZINC000445481932 1028839785 /nfs/dbraw/zinc/83/97/85/1028839785.db2.gz MYIAJRKDINGTRK-UHFFFAOYSA-N -1 1 336.269 3.774 20 0 EHADMM CC1=NN(c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)CC1 ZINC000445485178 1028847419 /nfs/dbraw/zinc/84/74/19/1028847419.db2.gz YRYXFNWFMCHQML-UHFFFAOYSA-N -1 1 338.342 3.834 20 0 EHADMM CC(C)c1csc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000154084388 1029001105 /nfs/dbraw/zinc/00/11/05/1029001105.db2.gz ZKGKNDUCMSUYAH-UHFFFAOYSA-N -1 1 348.852 3.538 20 0 EHADMM CCCO[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000271850086 1029198037 /nfs/dbraw/zinc/19/80/37/1029198037.db2.gz JHOCDXLGJKMXCP-ZDUSSCGKSA-N -1 1 345.361 3.832 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000321944731 1029364407 /nfs/dbraw/zinc/36/44/07/1029364407.db2.gz MXHFANBKSMSNHJ-LLVKDONJSA-N -1 1 333.325 3.921 20 0 EHADMM C[C@]1(c2ccccc2)CN(C(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000150877527 1029560303 /nfs/dbraw/zinc/56/03/03/1029560303.db2.gz MCVKBGFKXNZVQL-JOCHJYFZSA-N -1 1 347.414 3.933 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](COc2ccccc2)C1 ZINC000272700634 1029571416 /nfs/dbraw/zinc/57/14/16/1029571416.db2.gz PLCBWYHNPGFGTD-CYBMUJFWSA-N -1 1 331.799 3.587 20 0 EHADMM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cc2ccccc2o1)OC ZINC000533330934 1029629539 /nfs/dbraw/zinc/62/95/39/1029629539.db2.gz KIRYQKUGCODKMV-HNNXBMFYSA-N -1 1 339.457 3.552 20 0 EHADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000263380854 1029693714 /nfs/dbraw/zinc/69/37/14/1029693714.db2.gz BPCXHDTZIGNIST-JTQLQIEISA-N -1 1 327.302 3.870 20 0 EHADMM CC(C)(C)CCOc1cnccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000263402975 1029694537 /nfs/dbraw/zinc/69/45/37/1029694537.db2.gz ITFYMWSASJPFHQ-UHFFFAOYSA-N -1 1 342.439 3.885 20 0 EHADMM CSc1nsc([N-]C(=O)c2csc(-c3ccc(C)o3)n2)n1 ZINC000156023951 1029726090 /nfs/dbraw/zinc/72/60/90/1029726090.db2.gz LKHZMAHRPVPAGT-UHFFFAOYSA-N -1 1 338.439 3.537 20 0 EHADMM O=C(CSc1nnc(CCc2ccccc2)o1)c1ccc([O-])cc1 ZINC000525200253 1029741881 /nfs/dbraw/zinc/74/18/81/1029741881.db2.gz QKJXCCATCZAHFR-UHFFFAOYSA-N -1 1 340.404 3.535 20 0 EHADMM CCCCC[C@H](C)CC(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000080073911 1029818717 /nfs/dbraw/zinc/81/87/17/1029818717.db2.gz OJKFCPMZWUJECF-ZDUSSCGKSA-N -1 1 338.521 3.790 20 0 EHADMM CC(C)[C@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)c2ccccc21 ZINC000446929740 1029856842 /nfs/dbraw/zinc/85/68/42/1029856842.db2.gz RXFIPNZBJISJNT-CQSZACIVSA-N -1 1 327.453 3.539 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)cc1 ZINC000447268550 1030056925 /nfs/dbraw/zinc/05/69/25/1030056925.db2.gz WGPLGDXNMDYNDH-UHFFFAOYSA-N -1 1 349.452 3.729 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)c(Cl)cc1F ZINC000121041755 1030164750 /nfs/dbraw/zinc/16/47/50/1030164750.db2.gz ZUVUYKXPCTVYEB-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)[nH]n1 ZINC000532113935 1030382552 /nfs/dbraw/zinc/38/25/52/1030382552.db2.gz SWTVWHDJGXXUDD-NSHDSACASA-N -1 1 333.413 3.860 20 0 EHADMM O=C(Nc1c[nH]nc1-c1ccccn1)c1ccc2ccccc2c1[O-] ZINC000092760907 1030513475 /nfs/dbraw/zinc/51/34/75/1030513475.db2.gz XXOGZKDFGXWZSM-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC=CCC1 ZINC001212125673 1030520857 /nfs/dbraw/zinc/52/08/57/1030520857.db2.gz CXMPZSYFKFNWRN-CYBMUJFWSA-N -1 1 338.231 3.910 20 0 EHADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc2c(c1)CCCC2 ZINC000532292040 1030524899 /nfs/dbraw/zinc/52/48/99/1030524899.db2.gz QBARBSAWIGXSOD-UHFFFAOYSA-N -1 1 338.432 3.914 20 0 EHADMM COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2C(C)C)c([O-])c1 ZINC000447859890 1030552649 /nfs/dbraw/zinc/55/26/49/1030552649.db2.gz AFDPSGOWZUFRLX-UHFFFAOYSA-N -1 1 341.367 3.691 20 0 EHADMM CCc1nc(S[C@@H](C)c2nnc(-c3ccccc3)o2)[n-]c(=O)c1C ZINC000583883116 1031036453 /nfs/dbraw/zinc/03/64/53/1031036453.db2.gz GHFHTQMWTKQNOX-NSHDSACASA-N -1 1 342.424 3.956 20 0 EHADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)cc1 ZINC000477119584 1031269760 /nfs/dbraw/zinc/26/97/60/1031269760.db2.gz CHFHFCJCJGDVFA-UHFFFAOYSA-N -1 1 339.370 3.838 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c(F)cccc1Cl ZINC000551656982 1031549753 /nfs/dbraw/zinc/54/97/53/1031549753.db2.gz FBZFYODBYSBHLF-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM CCc1ncc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC000904000859 1031584340 /nfs/dbraw/zinc/58/43/40/1031584340.db2.gz XTGRVMJZVVLPQU-ZDUSSCGKSA-N -1 1 344.358 3.640 20 0 EHADMM COc1ccsc1CN[C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000904033943 1031641805 /nfs/dbraw/zinc/64/18/05/1031641805.db2.gz XWLLQBMMWNMBML-LBPRGKRZSA-N -1 1 325.817 3.716 20 0 EHADMM Cc1cccc([C@H](CC(=O)[O-])NCc2cnc([C@@H]3CCCO3)s2)c1 ZINC000904046261 1031667406 /nfs/dbraw/zinc/66/74/06/1031667406.db2.gz YKGXTOVAWGHOIA-HOTGVXAUSA-N -1 1 346.452 3.609 20 0 EHADMM CC[C@@H](NCC=Cc1c(C)cc(C)cc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904062764 1031689979 /nfs/dbraw/zinc/68/99/79/1031689979.db2.gz RIWQZTFAVFPFPQ-FYCOFBDGSA-N -1 1 327.428 3.787 20 0 EHADMM Cc1cccc(C)c1C[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000904068449 1031693889 /nfs/dbraw/zinc/69/38/89/1031693889.db2.gz DKWWEMUFFPDTCX-INIZCTEOSA-N -1 1 346.496 3.843 20 0 EHADMM CCc1nc(SCc2cc(C(=O)OC)sc2C)[n-]c(=O)c1C ZINC000565961779 1031830317 /nfs/dbraw/zinc/83/03/17/1031830317.db2.gz FCFLNBNAYGQAIS-UHFFFAOYSA-N -1 1 338.454 3.502 20 0 EHADMM C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc(O)c1Cl ZINC000646193751 1033306049 /nfs/dbraw/zinc/30/60/49/1033306049.db2.gz CMXRUUAYQLZYBA-UHFFFAOYSA-N -1 1 343.814 3.770 20 0 EHADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(F)ccc([O-])c1F)CC3 ZINC000685421009 1033309826 /nfs/dbraw/zinc/30/98/26/1033309826.db2.gz CPXMSIMYNWSCDA-UHFFFAOYSA-N -1 1 342.345 3.659 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)[C@]2(C)CC=CCC2)c1 ZINC001142548454 1033427587 /nfs/dbraw/zinc/42/75/87/1033427587.db2.gz QESPUHLXUGCHLA-OAHLLOKOSA-N -1 1 340.217 3.848 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)ccc1F ZINC000105590717 1033485743 /nfs/dbraw/zinc/48/57/43/1033485743.db2.gz GYALHBLQFGJRKD-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000044491251 1033499530 /nfs/dbraw/zinc/49/95/30/1033499530.db2.gz DKSRIYBKTGHEJV-GXFFZTMASA-N -1 1 326.234 3.805 20 0 EHADMM Cc1cc([C@@H](C)NC(=O)c2ccc(Br)cc2[O-])c(C)o1 ZINC000044731506 1033529996 /nfs/dbraw/zinc/52/99/96/1033529996.db2.gz JGVJNTKAMBOZJZ-SECBINFHSA-N -1 1 338.201 3.856 20 0 EHADMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1c(F)cccc1F ZINC000106703079 1033613851 /nfs/dbraw/zinc/61/38/51/1033613851.db2.gz KXNQUGWINRHAED-UHFFFAOYSA-N -1 1 349.337 3.799 20 0 EHADMM CCSC1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000595349006 1033736635 /nfs/dbraw/zinc/73/66/35/1033736635.db2.gz SAHRVFRBIDZMFL-UHFFFAOYSA-N -1 1 346.326 3.619 20 0 EHADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1c(F)cccc1F ZINC000108208326 1033781103 /nfs/dbraw/zinc/78/11/03/1033781103.db2.gz DQOCQWIOTNGNLE-UHFFFAOYSA-N -1 1 349.337 3.799 20 0 EHADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460443759 1033940719 /nfs/dbraw/zinc/94/07/19/1033940719.db2.gz CBRVDQRAQVESSL-UHFFFAOYSA-N -1 1 347.436 3.572 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000604789384 1034495069 /nfs/dbraw/zinc/49/50/69/1034495069.db2.gz YPWZDOTWLWANAQ-ZJUUUORDSA-N -1 1 345.374 3.581 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000604789382 1034496285 /nfs/dbraw/zinc/49/62/85/1034496285.db2.gz YPWZDOTWLWANAQ-UWVGGRQHSA-N -1 1 345.374 3.581 20 0 EHADMM COc1cc(Cl)c(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000647461588 1034599860 /nfs/dbraw/zinc/59/98/60/1034599860.db2.gz TVEMOUUNSAFBDK-KOLCDFICSA-N -1 1 332.227 3.545 20 0 EHADMM CC(C)CC1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC1 ZINC000450701319 1034714421 /nfs/dbraw/zinc/71/44/21/1034714421.db2.gz VWPGGXJOGBYXQX-UHFFFAOYSA-N -1 1 334.807 3.596 20 0 EHADMM CC(C)CC1(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CC1 ZINC000450701319 1034714435 /nfs/dbraw/zinc/71/44/35/1034714435.db2.gz VWPGGXJOGBYXQX-UHFFFAOYSA-N -1 1 334.807 3.596 20 0 EHADMM C[C@H](CS(=O)(=O)[N-][C@H](c1ccccc1)C(F)F)c1ccccc1 ZINC000431645626 1034757284 /nfs/dbraw/zinc/75/72/84/1034757284.db2.gz YUJMLOQHSDRRRY-CZUORRHYSA-N -1 1 339.407 3.716 20 0 EHADMM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cccc(F)c1[O-] ZINC000530007271 1034855651 /nfs/dbraw/zinc/85/56/51/1034855651.db2.gz SZNLRHIRJUSNLF-LLVKDONJSA-N -1 1 342.374 3.808 20 0 EHADMM CCOc1cc(C(=O)N2CCC(F)(F)C[C@@H]2C)cc(Cl)c1[O-] ZINC000530016841 1034865773 /nfs/dbraw/zinc/86/57/73/1034865773.db2.gz LPAOQSJUYJARNK-VIFPVBQESA-N -1 1 333.762 3.704 20 0 EHADMM CCc1nc(C(C)C)ccc1CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530167473 1035016752 /nfs/dbraw/zinc/01/67/52/1035016752.db2.gz WXSRLMMADJWKKL-SFHVURJKSA-N -1 1 328.412 3.544 20 0 EHADMM Cc1ccc(C)c(OCCN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC000530169001 1035018167 /nfs/dbraw/zinc/01/81/67/1035018167.db2.gz PBSBCXKRRQZDEB-UHFFFAOYSA-N -1 1 343.398 3.578 20 0 EHADMM COc1cccc(CC2CCN(C(=O)c3ccc([O-])cc3F)CC2)c1 ZINC000133632729 1035318766 /nfs/dbraw/zinc/31/87/66/1035318766.db2.gz NOZGEODNAIANOE-UHFFFAOYSA-N -1 1 343.398 3.635 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@H]1C(C)(C)C ZINC000413999858 1035341297 /nfs/dbraw/zinc/34/12/97/1035341297.db2.gz YYXIMGAGXFRTPM-OLZOCXBDSA-N -1 1 333.476 3.733 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2C[C@H](C)CN(C)c3ccccc32)c1 ZINC000669211083 1035527598 /nfs/dbraw/zinc/52/75/98/1035527598.db2.gz YYRWTAIQQKPRLE-CYBMUJFWSA-N -1 1 342.464 3.847 20 0 EHADMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000376244218 1035532588 /nfs/dbraw/zinc/53/25/88/1035532588.db2.gz STDXPEKMJGJIQN-MDASCCDHSA-N -1 1 343.398 3.612 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2OCC)cc(Cl)c1[O-] ZINC000456964309 1035577219 /nfs/dbraw/zinc/57/72/19/1035577219.db2.gz RUPROEWRAMLEDK-ZIAGYGMSSA-N -1 1 341.835 3.522 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCC[C@H]2SCC)cc(Cl)c1[O-] ZINC000186849560 1035729308 /nfs/dbraw/zinc/72/93/08/1035729308.db2.gz HAQOFYQGQHENNA-TZMCWYRMSA-N -1 1 343.876 3.848 20 0 EHADMM COC(=O)c1cnc(S[C@H](C)c2ncc(-c3ccccc3)o2)[n-]1 ZINC000187590639 1035843578 /nfs/dbraw/zinc/84/35/78/1035843578.db2.gz ZEPKYNFKDHNBJV-SNVBAGLBSA-N -1 1 329.381 3.705 20 0 EHADMM COC(=O)c1c[n-]c(S[C@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000187590639 1035843593 /nfs/dbraw/zinc/84/35/93/1035843593.db2.gz ZEPKYNFKDHNBJV-SNVBAGLBSA-N -1 1 329.381 3.705 20 0 EHADMM C[C@H]1[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCN1c1ccccc1 ZINC000572108882 1035999587 /nfs/dbraw/zinc/99/95/87/1035999587.db2.gz JAHWTJAMYXEJFJ-SWLSCSKDSA-N -1 1 339.370 3.964 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)cc1 ZINC000541165681 1036050982 /nfs/dbraw/zinc/05/09/82/1036050982.db2.gz RDDHYQICCYJGJE-UHFFFAOYSA-N -1 1 337.828 3.906 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1 ZINC000588834694 1036132505 /nfs/dbraw/zinc/13/25/05/1036132505.db2.gz SLLHLXWDYFGCBV-UHFFFAOYSA-N -1 1 332.450 3.701 20 0 EHADMM CCC1(CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)CC1 ZINC000178195203 1036243769 /nfs/dbraw/zinc/24/37/69/1036243769.db2.gz MSCWUPQLASAARD-UHFFFAOYSA-N -1 1 344.484 3.613 20 0 EHADMM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)Cc1cccs1 ZINC000464418466 1036424614 /nfs/dbraw/zinc/42/46/14/1036424614.db2.gz BSQDTRHYVICBRS-JTQLQIEISA-N -1 1 347.864 3.698 20 0 EHADMM CCc1cc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)no1 ZINC001126664883 1036473657 /nfs/dbraw/zinc/47/36/57/1036473657.db2.gz CIDUGELMNPQRRB-UHFFFAOYSA-N -1 1 348.815 3.585 20 0 EHADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)n(-c2ccccn2)n1 ZINC000192184507 1036484639 /nfs/dbraw/zinc/48/46/39/1036484639.db2.gz BBMZJJLNVVZYLP-UHFFFAOYSA-N -1 1 343.774 3.579 20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)c1 ZINC000032599950 1036746320 /nfs/dbraw/zinc/74/63/20/1036746320.db2.gz BFFHPZDQSROEIT-UHFFFAOYSA-N -1 1 349.452 3.983 20 0 EHADMM CC[C@H](C)[C@H](NCc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC000590186646 1036792335 /nfs/dbraw/zinc/79/23/35/1036792335.db2.gz JKDPGFOZKURUOU-NHYWBVRUSA-N -1 1 327.852 3.892 20 0 EHADMM Cc1nc(SCc2ccn(-c3c(F)cccc3F)n2)[n-]c(=O)c1C ZINC000539614837 1036980452 /nfs/dbraw/zinc/98/04/52/1036980452.db2.gz ABMRNDAZPYDGOH-UHFFFAOYSA-N -1 1 348.378 3.555 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000628410407 1037389668 /nfs/dbraw/zinc/38/96/68/1037389668.db2.gz KWJHETYICVYYGE-CYBMUJFWSA-N -1 1 335.325 3.829 20 0 EHADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ocnc1C1CC1 ZINC000342657532 1037481016 /nfs/dbraw/zinc/48/10/16/1037481016.db2.gz FXRZFMAQFOGDMI-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM Cc1cnc(S[C@H](C)C(=O)c2ccccc2C(F)(F)F)[n-]c1=O ZINC000573387058 1037501400 /nfs/dbraw/zinc/50/14/00/1037501400.db2.gz ZCJQOOVHCOXJEH-SECBINFHSA-N -1 1 342.342 3.873 20 0 EHADMM CC[C@H](c1ccccc1)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000462958442 1037593436 /nfs/dbraw/zinc/59/34/36/1037593436.db2.gz MSLRJVKYYUFXMZ-MRXNPFEDSA-N -1 1 347.484 3.853 20 0 EHADMM Cc1ccc(-c2nnc([C@@H](C)Sc3ncc(C)c(=O)[n-]3)o2)cc1 ZINC000573579037 1037619213 /nfs/dbraw/zinc/61/92/13/1037619213.db2.gz MAVSJEAREBEZLQ-LLVKDONJSA-N -1 1 328.397 3.702 20 0 EHADMM C[C@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)CC(C)(C)O1 ZINC000058206421 1037649221 /nfs/dbraw/zinc/64/92/21/1037649221.db2.gz VWLMVMVLPFXIFY-ZDUSSCGKSA-N -1 1 338.521 3.520 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1OC(F)F ZINC000397038152 1037986208 /nfs/dbraw/zinc/98/62/08/1037986208.db2.gz PGQWUDXFBSHZBX-ZJUUUORDSA-N -1 1 333.762 3.627 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@](C)(c2ccccc2)C(F)(F)F)s1 ZINC000463376746 1038096081 /nfs/dbraw/zinc/09/60/81/1038096081.db2.gz RSDMEYGCTXSHDE-CYBMUJFWSA-N -1 1 349.399 3.813 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc1C ZINC000180273561 1038112153 /nfs/dbraw/zinc/11/21/53/1038112153.db2.gz AIYIYUYPTOZCIS-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000397508063 1038255808 /nfs/dbraw/zinc/25/58/08/1038255808.db2.gz VTSJYETYSJGOMO-YPMHNXCESA-N -1 1 334.803 3.680 20 0 EHADMM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1c(F)cccc1Cl ZINC000461791971 1038611598 /nfs/dbraw/zinc/61/15/98/1038611598.db2.gz RGWLPXBHVJQSRU-UHFFFAOYSA-N -1 1 339.819 3.704 20 0 EHADMM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CC1(Cl)Cl ZINC000182766566 1038635976 /nfs/dbraw/zinc/63/59/76/1038635976.db2.gz QRJJXKVXSGAODL-ANLVUFKYSA-N -1 1 348.098 3.878 20 0 EHADMM CSc1nnc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)s1 ZINC000485362597 1038953634 /nfs/dbraw/zinc/95/36/34/1038953634.db2.gz XLJASWAELJHCBE-UHFFFAOYSA-N -1 1 345.236 3.883 20 0 EHADMM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432771007 1039097634 /nfs/dbraw/zinc/09/76/34/1039097634.db2.gz UUQUTTLZSJLNEB-UHFFFAOYSA-N -1 1 348.468 3.588 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C)c(Br)c2)C1 ZINC000097902085 1039102701 /nfs/dbraw/zinc/10/27/01/1039102701.db2.gz DGYWJOUXDRLCGE-MRXNPFEDSA-N -1 1 340.261 3.834 20 0 EHADMM F[C@H]1CC[C@@H](N=c2[n-]c(C(F)(F)F)c(Br)s2)C1 ZINC000418977193 1039193488 /nfs/dbraw/zinc/19/34/88/1039193488.db2.gz VQTANTTTZZSOIU-CRCLSJGQSA-N -1 1 333.148 3.649 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC(c2ccco2)CC1 ZINC000898583734 1039292546 /nfs/dbraw/zinc/29/25/46/1039292546.db2.gz YZYCQBVIUQQGRH-UHFFFAOYSA-N -1 1 337.375 3.864 20 0 EHADMM CCc1ccc(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)c([O-])c1 ZINC000911433232 1039364268 /nfs/dbraw/zinc/36/42/68/1039364268.db2.gz KVHHWYLQBCUJHU-UHFFFAOYSA-N -1 1 347.724 3.619 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2ccc(Cl)nc2F)s1 ZINC000906366968 1039514010 /nfs/dbraw/zinc/51/40/10/1039514010.db2.gz FZWDIVXDTQQEQG-UHFFFAOYSA-N -1 1 328.800 3.882 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(Cl)c1 ZINC000554685748 1039589995 /nfs/dbraw/zinc/58/99/95/1039589995.db2.gz OAFAYINRBICSHX-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM O=C([O-])c1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1Cl ZINC000584726513 1039627777 /nfs/dbraw/zinc/62/77/77/1039627777.db2.gz ZHTSTCUOKHSSQN-GJZGRUSLSA-N -1 1 325.861 3.898 20 0 EHADMM CCCOc1ccc(COC(=O)c2cnc(C3CC3)[n-]c2=O)c(C)c1 ZINC000912042799 1039657302 /nfs/dbraw/zinc/65/73/02/1039657302.db2.gz WHJPWCGBTZMCOJ-UHFFFAOYSA-N -1 1 342.395 3.514 20 0 EHADMM Cc1cccc(CO[N-]C(=O)C2(Cc3cccc(Cl)c3)CC2)n1 ZINC000898930895 1039734009 /nfs/dbraw/zinc/73/40/09/1039734009.db2.gz OUUTUJWTWWXINO-UHFFFAOYSA-N -1 1 330.815 3.614 20 0 EHADMM O=C(NCCc1cccc(Cl)c1Cl)c1c(F)ccc([O-])c1F ZINC000554855279 1039841947 /nfs/dbraw/zinc/84/19/47/1039841947.db2.gz OJPZMKGEYOHDQR-UHFFFAOYSA-N -1 1 346.160 3.950 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1F ZINC000553160775 1039842734 /nfs/dbraw/zinc/84/27/34/1039842734.db2.gz FQTGEEGYVNUVBZ-UHFFFAOYSA-N -1 1 341.429 3.665 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1C ZINC000499341995 1040101643 /nfs/dbraw/zinc/10/16/43/1040101643.db2.gz SLHBYZVWCAKBQQ-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000563558125 1040383380 /nfs/dbraw/zinc/38/33/80/1040383380.db2.gz HOEGKKLIEODRNK-UHFFFAOYSA-N -1 1 348.173 3.613 20 0 EHADMM CCOC(=O)Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000486902719 1040545191 /nfs/dbraw/zinc/54/51/91/1040545191.db2.gz CSCFKOYSKLCMBA-UHFFFAOYSA-N -1 1 348.786 3.795 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)C1(C(F)F)CCCC1 ZINC000908708332 1040604380 /nfs/dbraw/zinc/60/43/80/1040604380.db2.gz SWWVLANTGAKHMQ-UHFFFAOYSA-N -1 1 334.160 3.919 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000187454946 1040616507 /nfs/dbraw/zinc/61/65/07/1040616507.db2.gz YPJSIGOIVAKABR-JTQLQIEISA-N -1 1 337.753 3.954 20 0 EHADMM Cc1c(NC(=O)c2ccc(CN3CCCCC3)o2)cccc1C(=O)[O-] ZINC000908843181 1040677031 /nfs/dbraw/zinc/67/70/31/1040677031.db2.gz WKUOJWZPQNOPAK-UHFFFAOYSA-N -1 1 342.395 3.524 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(F)c(Cl)c2F)c1 ZINC001213203672 1040785075 /nfs/dbraw/zinc/78/50/75/1040785075.db2.gz ZNWYYLUXMFPBNV-UHFFFAOYSA-N -1 1 347.770 3.861 20 0 EHADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)[C@H]1OCCc2sccc21 ZINC000909987470 1041100145 /nfs/dbraw/zinc/10/01/45/1041100145.db2.gz VXJLJHHEJJFEOV-ANRSDYALSA-N -1 1 339.363 3.621 20 0 EHADMM Cc1cc(N(C)C)cc(C)c1CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909988152 1041120758 /nfs/dbraw/zinc/12/07/58/1041120758.db2.gz XPQLIJVMJAVENP-UHFFFAOYSA-N -1 1 334.366 3.534 20 0 EHADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(Br)c([O-])c1 ZINC000487923294 1041183359 /nfs/dbraw/zinc/18/33/59/1041183359.db2.gz YJZKUTSZVIYOQU-OCCSQVGLSA-N -1 1 338.245 3.853 20 0 EHADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617364032 1041319799 /nfs/dbraw/zinc/31/97/99/1041319799.db2.gz JMCIESFCUFOTEK-SNVBAGLBSA-N -1 1 347.827 3.620 20 0 EHADMM O=C(c1cc2ccccc2o1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000198881747 1041770807 /nfs/dbraw/zinc/77/08/07/1041770807.db2.gz WHFCJKQDLMRHPH-UHFFFAOYSA-N -1 1 349.386 3.874 20 0 EHADMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000184159530 1042173830 /nfs/dbraw/zinc/17/38/30/1042173830.db2.gz PZIGEMZLCZAOLO-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2Br)s1 ZINC000042350429 1042437467 /nfs/dbraw/zinc/43/74/67/1042437467.db2.gz JQQGUCAJSQOIQN-UHFFFAOYSA-N -1 1 346.271 3.874 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000652496316 1042506121 /nfs/dbraw/zinc/50/61/21/1042506121.db2.gz RTXMURJEBUTNFO-CYBMUJFWSA-N -1 1 332.375 3.558 20 0 EHADMM COc1ccc(C(=O)N2CCc3c2cccc3C(F)(F)F)c([O-])c1 ZINC000185938946 1042643241 /nfs/dbraw/zinc/64/32/41/1042643241.db2.gz IREIAOSRLXUJAU-UHFFFAOYSA-N -1 1 337.297 3.623 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ncccc1Cl ZINC000343902201 1042766349 /nfs/dbraw/zinc/76/63/49/1042766349.db2.gz WVZWREPHPNPDIP-UHFFFAOYSA-N -1 1 339.207 3.514 20 0 EHADMM CC(C)c1ccc(SCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000051266217 1044473111 /nfs/dbraw/zinc/47/31/11/1044473111.db2.gz NELFWPLTUDBDDK-UHFFFAOYSA-N -1 1 344.362 3.678 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1Cl ZINC000432643922 1044572661 /nfs/dbraw/zinc/57/26/61/1044572661.db2.gz JDLNGXIGGHQUBM-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COc1ccc([C@@H](C)N(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000153532370 1125627093 /nfs/dbraw/zinc/62/70/93/1125627093.db2.gz JBASEOXTOHLIBU-LLVKDONJSA-N -1 1 349.814 3.896 20 0 EHADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153915568 1125674731 /nfs/dbraw/zinc/67/47/31/1125674731.db2.gz DKCCNMJMILHNTN-VXGBXAGGSA-N -1 1 343.876 3.800 20 0 EHADMM COc1cc(C(=O)[N-]c2nc(-c3cc4ccccc4o3)cs2)on1 ZINC000154605429 1125734840 /nfs/dbraw/zinc/73/48/40/1125734840.db2.gz QKXDHNBIQOUGLH-UHFFFAOYSA-N -1 1 341.348 3.805 20 0 EHADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cccc2cccnc21 ZINC000172197173 1126784086 /nfs/dbraw/zinc/78/40/86/1126784086.db2.gz SBDKAMPWNCFAFO-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM O=S(=O)([N-]c1ccc2nc(C3CCC3)[nH]c2c1)c1cccs1 ZINC000176582053 1126939242 /nfs/dbraw/zinc/93/92/42/1126939242.db2.gz UQGPQRGKUSUCHS-UHFFFAOYSA-N -1 1 333.438 3.693 20 0 EHADMM CCOc1cc(-c2nc(Cc3cncs3)no2)cc(Cl)c1[O-] ZINC000350589171 1127089758 /nfs/dbraw/zinc/08/97/58/1127089758.db2.gz VAJGSSXKTBTRTB-UHFFFAOYSA-N -1 1 337.788 3.542 20 0 EHADMM CCOc1cc(-c2noc(Cc3cncs3)n2)cc(Cl)c1[O-] ZINC000350611395 1127092220 /nfs/dbraw/zinc/09/22/20/1127092220.db2.gz NWVVOKOYBLVLSO-UHFFFAOYSA-N -1 1 337.788 3.542 20 0 EHADMM CCOc1cc(-c2noc([C@H]3CCOC[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000350614484 1127093038 /nfs/dbraw/zinc/09/30/38/1127093038.db2.gz UNDQXEOLYYRUPG-ONGXEEELSA-N -1 1 338.791 3.634 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1Cl ZINC000179970832 1127105724 /nfs/dbraw/zinc/10/57/24/1127105724.db2.gz LACCNXLWIFYLGE-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c[nH]c3ccc(F)cc32)c1 ZINC000764164371 1127455074 /nfs/dbraw/zinc/45/50/74/1127455074.db2.gz GXBKQNZPBVDUJS-UHFFFAOYSA-N -1 1 341.338 3.615 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000021469580 1127683303 /nfs/dbraw/zinc/68/33/03/1127683303.db2.gz AWRSQOFOQSCFTN-UHFFFAOYSA-N -1 1 326.783 3.725 20 0 EHADMM O=S(=O)([N-]c1c(O)cccc1F)c1cccc(-c2ccccc2)c1 ZINC000671660137 1127766595 /nfs/dbraw/zinc/76/65/95/1127766595.db2.gz IMMMEVJHGOYDOW-UHFFFAOYSA-N -1 1 343.379 3.999 20 0 EHADMM C[C@@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000047034585 1127998829 /nfs/dbraw/zinc/99/88/29/1127998829.db2.gz GELDQORZIZICPP-RHSMWYFYSA-N -1 1 344.455 3.575 20 0 EHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000057126245 1128037806 /nfs/dbraw/zinc/03/78/06/1128037806.db2.gz KGXVHWONIZLWMC-ZDUSSCGKSA-N -1 1 347.436 3.867 20 0 EHADMM CC(C)n1c(C2CCN(C(=O)C3(C)CCCC3)CC2)n[n-]c1=S ZINC000068447167 1128267583 /nfs/dbraw/zinc/26/75/83/1128267583.db2.gz KRSXCFHVFHPOMZ-UHFFFAOYSA-N -1 1 336.505 3.808 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(Cl)ccc2Br)C1 ZINC000090252737 1128442337 /nfs/dbraw/zinc/44/23/37/1128442337.db2.gz HMUHPHAUCNNBOP-JTQLQIEISA-N -1 1 346.652 3.789 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000055595336 1128524597 /nfs/dbraw/zinc/52/45/97/1128524597.db2.gz LUVGYMGVCYTYFT-UHFFFAOYSA-N -1 1 327.405 3.787 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1F ZINC000055618988 1128525518 /nfs/dbraw/zinc/52/55/18/1128525518.db2.gz HZUWMFXUKHXRLY-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC000404838289 1128698469 /nfs/dbraw/zinc/69/84/69/1128698469.db2.gz YTZQTTHTXBBCAU-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CCOc1cc(-c2noc([C@H]3C[C@@H]3C)n2)cc(Br)c1[O-] ZINC000109508039 1128736177 /nfs/dbraw/zinc/73/61/77/1128736177.db2.gz YXFODHYVDLRDBW-CBAPKCEASA-N -1 1 339.189 3.727 20 0 EHADMM C[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC2(CCCCC2)O1 ZINC000656192485 1128804873 /nfs/dbraw/zinc/80/48/73/1128804873.db2.gz WSXJNJPPERAKJA-BBRMVZONSA-N -1 1 337.847 3.889 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1Cc2cc(F)c(F)cc2C1 ZINC001687491107 1128838285 /nfs/dbraw/zinc/83/82/85/1128838285.db2.gz WWWMCTIXQGFEPO-UHFFFAOYSA-N -1 1 338.741 3.549 20 0 EHADMM CCn1ncc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000143394691 1120040612 /nfs/dbraw/zinc/04/06/12/1120040612.db2.gz ASUYYLPCMBUVPI-UHFFFAOYSA-N -1 1 335.816 3.510 20 0 EHADMM CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001648901780 1120064324 /nfs/dbraw/zinc/06/43/24/1120064324.db2.gz UIZBQKPBZLTROZ-CQSZACIVSA-N -1 1 345.418 3.503 20 0 EHADMM O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(O)cc1[O-] ZINC000227607078 1120114206 /nfs/dbraw/zinc/11/42/06/1120114206.db2.gz HHXLZULOGCGGAE-UHFFFAOYSA-N -1 1 342.576 3.766 20 0 EHADMM C[C@H](CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000110066044 1120133660 /nfs/dbraw/zinc/13/36/60/1120133660.db2.gz UBIDZEWMUPCWEI-LLVKDONJSA-N -1 1 343.370 3.576 20 0 EHADMM CC1(C)[C@@H](CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1(F)F ZINC001648935688 1120238755 /nfs/dbraw/zinc/23/87/55/1120238755.db2.gz 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/nfs/dbraw/zinc/59/31/18/1120593118.db2.gz QAXHZEQARDBVKI-LBPRGKRZSA-N -1 1 336.432 4.000 20 0 EHADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1c(F)cncc1F ZINC000672335518 1128935585 /nfs/dbraw/zinc/93/55/85/1128935585.db2.gz ZJMRWPMEZWNCDE-ZETCQYMHSA-N -1 1 346.255 3.575 20 0 EHADMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000494777054 1120800219 /nfs/dbraw/zinc/80/02/19/1120800219.db2.gz IUEACEATOUEXEY-INIZCTEOSA-N -1 1 336.457 3.666 20 0 EHADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1C ZINC000194862853 1120866201 /nfs/dbraw/zinc/86/62/01/1120866201.db2.gz QAWLMVUEPJFJST-UHFFFAOYSA-N -1 1 337.466 3.835 20 0 EHADMM Cc1cnc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c([O-])c1 ZINC000494833340 1120875110 /nfs/dbraw/zinc/87/51/10/1120875110.db2.gz GWDCWJROBHZVOW-UHFFFAOYSA-N -1 1 342.414 3.862 20 0 EHADMM CS[C@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000227355346 1120877488 /nfs/dbraw/zinc/87/74/88/1120877488.db2.gz PHMURVKOMLEAHR-MNOVXSKESA-N -1 1 344.274 3.559 20 0 EHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1nnc(-c2ccc(F)cc2)o1 ZINC000784516544 1120975739 /nfs/dbraw/zinc/97/57/39/1120975739.db2.gz JPQALJDJKQWTFR-SECBINFHSA-N -1 1 346.289 3.638 20 0 EHADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000230182036 1120998844 /nfs/dbraw/zinc/99/88/44/1120998844.db2.gz YHEWOTYDYMAFBX-NSHDSACASA-N -1 1 326.234 3.663 20 0 EHADMM COc1cc(CNC(=O)c2cc(Cl)ccc2[O-])ccc1OC(C)C ZINC000914842247 1121000851 /nfs/dbraw/zinc/00/08/51/1121000851.db2.gz IJCLNXYWNXFGIM-UHFFFAOYSA-N -1 1 349.814 3.771 20 0 EHADMM CCC1(CC)CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000231350453 1121029524 /nfs/dbraw/zinc/02/95/24/1121029524.db2.gz PSDJNNZXGBAOHP-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM CCOc1cc(C(=O)N(C)Cc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000193278634 1121059413 /nfs/dbraw/zinc/05/94/13/1121059413.db2.gz WGJMVVLUQSQLOU-UHFFFAOYSA-N -1 1 337.778 3.856 20 0 EHADMM CCOc1cc(C(=O)Oc2ccc(NC(C)=O)cc2)cc(Cl)c1[O-] ZINC000762555016 1121356018 /nfs/dbraw/zinc/35/60/18/1121356018.db2.gz 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EHADMM C[C@H](Cn1ncc2ccccc21)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000556937033 1123218373 /nfs/dbraw/zinc/21/83/73/1123218373.db2.gz HFGHWTMCKLVACP-LLVKDONJSA-N -1 1 329.787 3.670 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1 ZINC000132785015 1123300578 /nfs/dbraw/zinc/30/05/78/1123300578.db2.gz SSVMBKCZQXQHAP-UHFFFAOYSA-N -1 1 346.433 3.864 20 0 EHADMM CCN(CCNC(=O)c1c([O-])cccc1Cl)c1ccccc1C ZINC000920451486 1123370711 /nfs/dbraw/zinc/37/07/11/1123370711.db2.gz HLXVRFNGNBCJTD-UHFFFAOYSA-N -1 1 332.831 3.610 20 0 EHADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1c([O-])cccc1Cl ZINC000920464694 1123371773 /nfs/dbraw/zinc/37/17/73/1123371773.db2.gz QTMHAOATYKZXOS-KDOFPFPSSA-N -1 1 345.826 3.943 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2csc([C@@H](C)OCC)n2)n1 ZINC000133293428 1123378121 /nfs/dbraw/zinc/37/81/21/1123378121.db2.gz AQNZHPCNOQMNQN-SNVBAGLBSA-N -1 1 339.486 3.981 20 0 EHADMM Cc1c2ccccc2oc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000445487415 1123434063 /nfs/dbraw/zinc/43/40/63/1123434063.db2.gz 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/nfs/dbraw/zinc/42/46/30/1131424630.db2.gz YUBOYPIHXBBNIG-OAHLLOKOSA-N -1 1 349.228 3.677 20 0 EHADMM C[C@@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000742410375 1131720429 /nfs/dbraw/zinc/72/04/29/1131720429.db2.gz WLEAQIQSUZZLGC-QMMMGPOBSA-N -1 1 345.695 3.515 20 0 EHADMM NC(=S)/C(=C/c1ccc([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000742575875 1131753670 /nfs/dbraw/zinc/75/36/70/1131753670.db2.gz REWVPJBKZRZHDE-YFHOEESVSA-N -1 1 329.812 3.749 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3ccc(-c4cnco4)cc3)no2)[n-]1 ZINC001212689515 1131900286 /nfs/dbraw/zinc/90/02/86/1131900286.db2.gz IENSQKGOBRNESN-UHFFFAOYSA-N -1 1 347.256 3.801 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccc(-c4cnco4)cc3)no2)n1 ZINC001212689515 1131900289 /nfs/dbraw/zinc/90/02/89/1131900289.db2.gz IENSQKGOBRNESN-UHFFFAOYSA-N -1 1 347.256 3.801 20 0 EHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000743636445 1131956277 /nfs/dbraw/zinc/95/62/77/1131956277.db2.gz FNOHNLDITVKGMI-BDJLRTHQSA-N -1 1 349.789 3.787 20 0 EHADMM O=C1COc2ccc(Nc3c(Cl)ccc([O-])c3Cl)cc2N1 ZINC001203185311 1132140496 /nfs/dbraw/zinc/14/04/96/1132140496.db2.gz QXDDWKXOALUYAE-UHFFFAOYSA-N -1 1 325.151 3.774 20 0 EHADMM CCc1cc2c(COC(=O)[C@@H]3CCC[C@H](C)C3)cc(=O)oc2cc1[O-] ZINC000745161372 1132208509 /nfs/dbraw/zinc/20/85/09/1132208509.db2.gz WVKYYYDNBZPHHI-GXTWGEPZSA-N -1 1 344.407 3.931 20 0 EHADMM O=C(NC1CCCC1)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174196215 1132278573 /nfs/dbraw/zinc/27/85/73/1132278573.db2.gz BQJMYJOBTSIGJB-UHFFFAOYSA-N -1 1 331.803 3.857 20 0 EHADMM COc1cc(Nc2ccc(F)c(Br)c2[O-])ccc1O ZINC001174543189 1132398331 /nfs/dbraw/zinc/39/83/31/1132398331.db2.gz OAZKEGOBMAPXSP-UHFFFAOYSA-N -1 1 328.137 3.752 20 0 EHADMM CCOc1cc(C(=O)NC[C@@H]2Cc3ccccc32)cc(Cl)c1[O-] ZINC000186653068 1132423902 /nfs/dbraw/zinc/42/39/02/1132423902.db2.gz KRQYQOAZJHSEBT-ZDUSSCGKSA-N -1 1 331.799 3.514 20 0 EHADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001212767223 1132483456 /nfs/dbraw/zinc/48/34/56/1132483456.db2.gz VBCISNFAWIWFFH-UHFFFAOYSA-N -1 1 340.383 3.601 20 0 EHADMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(F)cc(C(F)(F)F)c1 ZINC001175060756 1132538178 /nfs/dbraw/zinc/53/81/78/1132538178.db2.gz FTKDASZOLIZZKI-UHFFFAOYSA-N -1 1 348.321 3.536 20 0 EHADMM Cc1cc(C)n2ccc(C(=O)Nc3cccc(C(F)(F)F)c3[O-])c2n1 ZINC001175136742 1132577807 /nfs/dbraw/zinc/57/78/07/1132577807.db2.gz KAFBLNSFNDJTEV-UHFFFAOYSA-N -1 1 349.312 3.928 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1cc(C)ccc1C ZINC001175166973 1132587213 /nfs/dbraw/zinc/58/72/13/1132587213.db2.gz WYYPZYUZNUNUQH-UHFFFAOYSA-N -1 1 329.425 3.665 20 0 EHADMM COC(=O)[N-]C(=S)N(c1cccc(SC)c1)c1ccccc1N ZINC001175289280 1132614541 /nfs/dbraw/zinc/61/45/41/1132614541.db2.gz VIQGMLCBCPKRHC-UHFFFAOYSA-N -1 1 347.465 3.770 20 0 EHADMM Cc1[nH]nc2ccc(Nc3ccc(Cl)cc3S(=O)(=O)[O-])cc12 ZINC001175700717 1132730950 /nfs/dbraw/zinc/73/09/50/1132730950.db2.gz UATRZPDJISTYET-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM COc1cc(C(=O)N2CCc3cc(C)c(C)cc32)cc(Cl)c1[O-] ZINC000804320526 1132744270 /nfs/dbraw/zinc/74/42/70/1132744270.db2.gz PIZFHJOECIGZJM-UHFFFAOYSA-N -1 1 331.799 3.874 20 0 EHADMM CCCCc1ccc(C(=O)CCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766777592 1132810719 /nfs/dbraw/zinc/81/07/19/1132810719.db2.gz XAWGQFSNVMBJPQ-UHFFFAOYSA-N -1 1 331.334 3.602 20 0 EHADMM COC(=O)CCc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC001176054392 1132837025 /nfs/dbraw/zinc/83/70/25/1132837025.db2.gz BCZWAQZYPMCIBS-UHFFFAOYSA-N -1 1 349.386 3.903 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1N ZINC001176205441 1132872811 /nfs/dbraw/zinc/87/28/11/1132872811.db2.gz GKCJVYLVVKJVHR-UHFFFAOYSA-N -1 1 348.321 3.536 20 0 EHADMM Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccc([O-])cc3F)o2)c1 ZINC000773577174 1132928079 /nfs/dbraw/zinc/92/80/79/1132928079.db2.gz SFZRTGJRAGZXFL-NSHDSACASA-N -1 1 342.326 3.808 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)c(Cl)c2)c1 ZINC001176542665 1132948671 /nfs/dbraw/zinc/94/86/71/1132948671.db2.gz IFEREAUCTCZREC-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2cnc(-c3ccc(O)cc3)nc2)c1F ZINC001176662842 1132987021 /nfs/dbraw/zinc/98/70/21/1132987021.db2.gz AIODMKWNBUJDDG-UHFFFAOYSA-N -1 1 333.269 3.716 20 0 EHADMM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)c1 ZINC000768167413 1133104115 /nfs/dbraw/zinc/10/41/15/1133104115.db2.gz OKHVSSIQDXMARA-KRWDZBQOSA-N -1 1 328.387 3.575 20 0 EHADMM CCOc1ncccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768868383 1133192686 /nfs/dbraw/zinc/19/26/86/1133192686.db2.gz MONGHSATUKJLPY-CSKARUKUSA-N -1 1 338.816 3.546 20 0 EHADMM CC(=O)Nc1cc(F)ccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179656878 1133267565 /nfs/dbraw/zinc/26/75/65/1133267565.db2.gz XSLGDCCLQBTQTD-UHFFFAOYSA-N -1 1 340.713 3.535 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000770000617 1133376626 /nfs/dbraw/zinc/37/66/26/1133376626.db2.gz BHKKENRJPNZRIW-WMLDXEAASA-N -1 1 347.386 3.633 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC001180901687 1133425363 /nfs/dbraw/zinc/42/53/63/1133425363.db2.gz NTYJAZHESZRJKE-ZDUSSCGKSA-N -1 1 343.427 3.527 20 0 EHADMM Cn1c2ccccc2nc1C(C)(C)NCc1ccc([O-])c(F)c1F ZINC001181055836 1133444609 /nfs/dbraw/zinc/44/46/09/1133444609.db2.gz MVUKQDWJRNSLOV-UHFFFAOYSA-N -1 1 331.366 3.582 20 0 EHADMM [O-]c1ccc(-c2noc(C[C@H](O)c3ccc(Cl)cc3)n2)c(F)c1 ZINC000771210345 1133527569 /nfs/dbraw/zinc/52/75/69/1133527569.db2.gz HZXMCNJULFMTLK-AWEZNQCLSA-N -1 1 334.734 3.511 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCCc3sccc32)c1 ZINC000771412216 1133554403 /nfs/dbraw/zinc/55/44/03/1133554403.db2.gz FSMFPBSKYFYGNK-INIZCTEOSA-N -1 1 344.432 3.862 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCO3)c([O-])c1 ZINC001182510874 1133692588 /nfs/dbraw/zinc/69/25/88/1133692588.db2.gz SRFZWQJKTONQIM-UHFFFAOYSA-N -1 1 327.380 3.758 20 0 EHADMM O=c1ccccn1-c1ccc(NCc2ccc([O-])c(F)c2F)c(F)c1 ZINC001182856683 1133740053 /nfs/dbraw/zinc/74/00/53/1133740053.db2.gz XQMHKRDIDHOKHZ-UHFFFAOYSA-N -1 1 346.308 3.573 20 0 EHADMM CSC1(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)CCC1 ZINC001183294820 1133789933 /nfs/dbraw/zinc/78/99/33/1133789933.db2.gz JAWTZCTYMRGRTQ-UHFFFAOYSA-N -1 1 336.844 3.609 20 0 EHADMM C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1Cl ZINC001184475191 1133945596 /nfs/dbraw/zinc/94/55/96/1133945596.db2.gz AWDVDQSZPBKGTF-GFCCVEGCSA-N -1 1 341.798 3.974 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185220730 1134051656 /nfs/dbraw/zinc/05/16/56/1134051656.db2.gz BSOBSKJPGUFYSI-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM C[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1c(F)cccc1F ZINC000774864060 1134081894 /nfs/dbraw/zinc/08/18/94/1134081894.db2.gz MDPWTWWTRWMEFI-JTQLQIEISA-N -1 1 331.318 3.628 20 0 EHADMM Cc1ccc(CNC(=O)Nc2cccc([O-])c2Br)cc1 ZINC001185409239 1134088879 /nfs/dbraw/zinc/08/88/79/1134088879.db2.gz FDRQXOJDNHCWJY-UHFFFAOYSA-N -1 1 335.201 3.785 20 0 EHADMM O=c1nc(Cl)cc(Oc2ccc(-n3ncc4ccccc43)cc2)[n-]1 ZINC001185906484 1134147679 /nfs/dbraw/zinc/14/76/79/1134147679.db2.gz IZQSFODLYHTXCT-UHFFFAOYSA-N -1 1 338.754 3.967 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1c(F)cc(F)cc1F ZINC001186020711 1134161110 /nfs/dbraw/zinc/16/11/10/1134161110.db2.gz LKOCZSZFBMCEEN-UHFFFAOYSA-N -1 1 348.284 3.639 20 0 EHADMM COc1ccc(OC(F)(F)F)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186225886 1134183287 /nfs/dbraw/zinc/18/32/87/1134183287.db2.gz GTNNJGVLLZZOGK-UHFFFAOYSA-N -1 1 345.248 3.691 20 0 EHADMM COc1cccc(CNC(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001186211717 1134188131 /nfs/dbraw/zinc/18/81/31/1134188131.db2.gz VHWXYTFQZOTKOU-UHFFFAOYSA-N -1 1 340.301 3.741 20 0 EHADMM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC001186220193 1134188956 /nfs/dbraw/zinc/18/89/56/1134188956.db2.gz ZRVUNXNXXBQYPY-INIZCTEOSA-N -1 1 329.371 3.655 20 0 EHADMM CC1(C)CC[C@](NCc2cccnc2Cl)(C(=O)[O-])c2ccccc21 ZINC000789904074 1134347656 /nfs/dbraw/zinc/34/76/56/1134347656.db2.gz QJNLUQHDEPNUBY-LJQANCHMSA-N -1 1 344.842 3.876 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ncsc1-c1ccccc1 ZINC000790053926 1134366136 /nfs/dbraw/zinc/36/61/36/1134366136.db2.gz FIUQWQQFUKGXMJ-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM O=C(Nc1ccccc1-c1ccncc1)c1ncc(C(F)(F)F)[n-]1 ZINC001188288537 1134444892 /nfs/dbraw/zinc/44/48/92/1134444892.db2.gz BVHMCMWAKSTNPQ-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM O=C(Nc1ccccc1-c1ccncc1)c1nc(C(F)(F)F)c[n-]1 ZINC001188288537 1134444894 /nfs/dbraw/zinc/44/48/94/1134444894.db2.gz BVHMCMWAKSTNPQ-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM O=C(Nc1cc(-c2ccccn2)no1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572015 1134478791 /nfs/dbraw/zinc/47/87/91/1134478791.db2.gz IQPYAOVKAWJWLV-UHFFFAOYSA-N -1 1 349.268 3.713 20 0 EHADMM Cc1ccc(Cl)cc1NC(=O)Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001188735626 1134503192 /nfs/dbraw/zinc/50/31/92/1134503192.db2.gz KVDLFYSMECMIAO-UHFFFAOYSA-N -1 1 347.802 3.700 20 0 EHADMM Cc1nc(SCCC2(C(=O)OC(C)(C)C)CCC2)[n-]c(=O)c1C ZINC001189062661 1134538928 /nfs/dbraw/zinc/53/89/28/1134538928.db2.gz ZLXGNTGMVCCWRG-UHFFFAOYSA-N -1 1 338.473 3.793 20 0 EHADMM CCc1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(C)cc1C ZINC001189240930 1134555510 /nfs/dbraw/zinc/55/55/10/1134555510.db2.gz GXOBYOJPLOVTOH-UHFFFAOYSA-N -1 1 331.437 3.869 20 0 EHADMM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cccc(C2CCC2)n1 ZINC001189277671 1134567129 /nfs/dbraw/zinc/56/71/29/1134567129.db2.gz OIJRQRSVLJHPTO-UHFFFAOYSA-N -1 1 338.379 3.569 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(F)c2ccccc21 ZINC001189349035 1134579251 /nfs/dbraw/zinc/57/92/51/1134579251.db2.gz SORMTFOKLORQLO-UHFFFAOYSA-N -1 1 343.379 3.810 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1cccc(F)c1OC(F)(F)F ZINC001151779614 1134604959 /nfs/dbraw/zinc/60/49/59/1134604959.db2.gz IAXPIFQCDJDMEK-UHFFFAOYSA-N -1 1 333.212 3.821 20 0 EHADMM CC(C)(C)c1ccccc1NC(=O)NCC(=O)c1ccc([O-])cc1 ZINC001189614943 1134606856 /nfs/dbraw/zinc/60/68/56/1134606856.db2.gz HLVNABXMDCCXNA-UHFFFAOYSA-N -1 1 326.396 3.694 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC001189754292 1134621650 /nfs/dbraw/zinc/62/16/50/1134621650.db2.gz AIXAJMCITKIWOV-SWLSCSKDSA-N -1 1 329.412 3.520 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2cccc(COC(C)C)c2)c(OC)c1 ZINC001190136598 1134659447 /nfs/dbraw/zinc/65/94/47/1134659447.db2.gz BZKNYZSJICLCGB-UHFFFAOYSA-N -1 1 345.395 3.587 20 0 EHADMM O=S(=O)([N-]c1ccccc1-n1ccnc1)c1ccc(C2CC2)cc1 ZINC001190464058 1134704776 /nfs/dbraw/zinc/70/47/76/1134704776.db2.gz KJAVQMQCGOMONB-UHFFFAOYSA-N -1 1 339.420 3.551 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(C2CC2)cc1 ZINC001190500424 1134707187 /nfs/dbraw/zinc/70/71/87/1134707187.db2.gz NVYQSYFZVDLZCJ-UHFFFAOYSA-N -1 1 327.327 3.782 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1-c1ccccc1)c1ccncc1 ZINC001190903990 1134768457 /nfs/dbraw/zinc/76/84/57/1134768457.db2.gz RSVLEMRXYPZHLS-UHFFFAOYSA-N -1 1 328.368 3.689 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)c2cccc(N(C)C)c2)cc(Cl)c1[O-] ZINC001191158279 1134804197 /nfs/dbraw/zinc/80/41/97/1134804197.db2.gz OZTWQBVQZVEXFW-NSHDSACASA-N -1 1 348.830 3.611 20 0 EHADMM COc1cc(C(=O)Nc2cccn3c(C)c(C)nc23)cc(Cl)c1[O-] ZINC001191139888 1134810803 /nfs/dbraw/zinc/81/08/03/1134810803.db2.gz XCCIVNRPHOZKRR-UHFFFAOYSA-N -1 1 345.786 3.571 20 0 EHADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C)c(F)c2F)c1 ZINC001191185853 1134822715 /nfs/dbraw/zinc/82/27/15/1134822715.db2.gz CYOWRRPPKHTVCL-UHFFFAOYSA-N -1 1 348.374 3.931 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3)cc1 ZINC001191252862 1134825731 /nfs/dbraw/zinc/82/57/31/1134825731.db2.gz HMGCXIKMKXUBOW-UHFFFAOYSA-N -1 1 331.437 3.860 20 0 EHADMM CCC(CC)CNC(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191490497 1134872251 /nfs/dbraw/zinc/87/22/51/1134872251.db2.gz ZHYCQQGVSJEWIX-UHFFFAOYSA-N -1 1 325.408 3.789 20 0 EHADMM O=C(c1ccc([O-])cc1)c1ccccc1C(=O)N1CCC12CCCC2 ZINC001191495904 1134873544 /nfs/dbraw/zinc/87/35/44/1134873544.db2.gz BWSHGYCCNZXTGW-UHFFFAOYSA-N -1 1 335.403 3.782 20 0 EHADMM Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)cc1O ZINC001191511024 1134876793 /nfs/dbraw/zinc/87/67/93/1134876793.db2.gz SEBMXWDAEMCQKL-UHFFFAOYSA-N -1 1 347.370 3.890 20 0 EHADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191873883 1134938633 /nfs/dbraw/zinc/93/86/33/1134938633.db2.gz AVGVZHWAEBVVHX-UHFFFAOYSA-N -1 1 342.823 3.939 20 0 EHADMM COc1ccc2cc(S(=O)(=O)[N-]c3ccnc(Cl)c3)ccc2c1 ZINC001191935716 1134943188 /nfs/dbraw/zinc/94/31/88/1134943188.db2.gz BPJMVDNMNIOJIN-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM COc1ccc2cc(S(=O)(=O)[N-]c3cc(C)cc(O)c3)ccc2c1 ZINC001191969502 1134952482 /nfs/dbraw/zinc/95/24/82/1134952482.db2.gz MZMUXINDTGIXTA-UHFFFAOYSA-N -1 1 343.404 3.663 20 0 EHADMM Cc1ccnc(C(C)C)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192004141 1134953405 /nfs/dbraw/zinc/95/34/05/1134953405.db2.gz CJIFWRMMDCJVLT-UHFFFAOYSA-N -1 1 331.652 3.583 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2nsc3ncccc23)c([O-])c1 ZINC001192314488 1134998138 /nfs/dbraw/zinc/99/81/38/1134998138.db2.gz RQERURYCMNGKND-UHFFFAOYSA-N -1 1 327.409 3.947 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(C(F)F)c3)[nH]c2c1 ZINC000794068518 1135017405 /nfs/dbraw/zinc/01/74/05/1135017405.db2.gz CQXCRJPTPNGHCL-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC001192805314 1135057178 /nfs/dbraw/zinc/05/71/78/1135057178.db2.gz FXJKECSMAATXJQ-UHFFFAOYSA-N -1 1 343.807 3.851 20 0 EHADMM Cc1c(F)ccc([N-]S(=O)(=O)c2cnccc2Cl)c1Cl ZINC001192896878 1135069652 /nfs/dbraw/zinc/06/96/52/1135069652.db2.gz DVOWMBVEQJELTM-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM CC(C)Sc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC001129639245 1135125765 /nfs/dbraw/zinc/12/57/65/1135125765.db2.gz KBYLRNWRCBSDMT-UHFFFAOYSA-N -1 1 343.452 3.814 20 0 EHADMM C[C@H](O)c1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)ccc1F ZINC000804795637 1135193414 /nfs/dbraw/zinc/19/34/14/1135193414.db2.gz VVWDRKPOFSCTDL-QMMMGPOBSA-N -1 1 343.276 3.856 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2c(C)cccc2C)ccc1SC ZINC001194634315 1135294430 /nfs/dbraw/zinc/29/44/30/1135294430.db2.gz QEXAUTRBWWHWLR-UHFFFAOYSA-N -1 1 337.466 3.835 20 0 EHADMM O=C([N-]c1nc(-c2cccnc2Cl)ns1)c1ccc(Cl)o1 ZINC001130410314 1135342131 /nfs/dbraw/zinc/34/21/31/1135342131.db2.gz NYYSHTLYFLSKEM-UHFFFAOYSA-N -1 1 341.179 3.752 20 0 EHADMM O=C(Nc1ccc(Br)cc1[O-])Oc1ccc(F)cc1 ZINC001195035622 1135357191 /nfs/dbraw/zinc/35/71/91/1135357191.db2.gz LNNMHJIZUYELMO-UHFFFAOYSA-N -1 1 326.121 3.905 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1cccc2c(Cl)ccnc12 ZINC001195080745 1135365660 /nfs/dbraw/zinc/36/56/60/1135365660.db2.gz HHFYBERPVIORFK-UHFFFAOYSA-N -1 1 342.924 3.968 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(CO)c2)c1 ZINC001195159932 1135384291 /nfs/dbraw/zinc/38/42/91/1135384291.db2.gz XGXZVVUAHBHFSI-UHFFFAOYSA-N -1 1 339.844 3.757 20 0 EHADMM COc1cnc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195278082 1135404638 /nfs/dbraw/zinc/40/46/38/1135404638.db2.gz LSVQIGWFZYSZAL-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM O=C(Nc1ccccc1-c1ccncc1)c1cc([O-])cnc1Cl ZINC001195306199 1135410082 /nfs/dbraw/zinc/41/00/82/1135410082.db2.gz OPLRLTNXTCDJAR-UHFFFAOYSA-N -1 1 325.755 3.755 20 0 EHADMM O=C(Nc1cccc(F)c1N1CCCCC1)c1cc([O-])cnc1Cl ZINC001195305118 1135410187 /nfs/dbraw/zinc/41/01/87/1135410187.db2.gz AAUWOFVLZIAPDQ-UHFFFAOYSA-N -1 1 349.793 3.822 20 0 EHADMM C[C@]12CC3CC(NC(=O)c4cc([O-])cnc4Cl)(C1)C[C@@](C)(C3)C2 ZINC001195306170 1135410287 /nfs/dbraw/zinc/41/02/87/1135410287.db2.gz NRRQWWWIIJTSSZ-YVBDQSFBSA-N -1 1 334.847 3.919 20 0 EHADMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc([O-])cnc1Cl ZINC001195313290 1135411984 /nfs/dbraw/zinc/41/19/84/1135411984.db2.gz WTLTVQLZEPOBMA-UWWPHRKUSA-N -1 1 342.826 3.753 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cccc(-c2cccc(OC)c2)c1 ZINC001195483389 1135431247 /nfs/dbraw/zinc/43/12/47/1135431247.db2.gz CXHRRAACUODEEQ-UHFFFAOYSA-N -1 1 330.409 3.805 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cccc(-c2ccccc2OC)c1 ZINC001195485139 1135432144 /nfs/dbraw/zinc/43/21/44/1135432144.db2.gz ZDMGJNWZCSXQPP-UHFFFAOYSA-N -1 1 330.409 3.805 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1-c1ccccc1)c1ccc(O)cc1 ZINC001195811351 1135473942 /nfs/dbraw/zinc/47/39/42/1135473942.db2.gz ZTKSCUGBNSFXFQ-UHFFFAOYSA-N -1 1 343.379 3.999 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@H]2CCC[C@@H]21)c1c(Cl)cc(F)cc1Cl ZINC001195870442 1135483954 /nfs/dbraw/zinc/48/39/54/1135483954.db2.gz VOSDHECNMKETEU-VFWDIBGWSA-N -1 1 338.231 3.599 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@H]2CCC[C@H]21)c1c(Cl)cc(F)cc1Cl ZINC001195870438 1135484616 /nfs/dbraw/zinc/48/46/16/1135484616.db2.gz VOSDHECNMKETEU-JWKOBGCHSA-N -1 1 338.231 3.599 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc3ocnc3cc2Cl)c(F)c1 ZINC001196382139 1135553135 /nfs/dbraw/zinc/55/31/35/1135553135.db2.gz CFWXYKDDANIBFS-UHFFFAOYSA-N -1 1 340.763 3.730 20 0 EHADMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1F ZINC000808112779 1135618726 /nfs/dbraw/zinc/61/87/26/1135618726.db2.gz KOXJHAAMIXTKIW-SECBINFHSA-N -1 1 345.342 3.617 20 0 EHADMM COc1ccccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197494385 1135699731 /nfs/dbraw/zinc/69/97/31/1135699731.db2.gz FWTSIHVISIRJOP-UHFFFAOYSA-N -1 1 346.235 3.944 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000103979205 1135736808 /nfs/dbraw/zinc/73/68/08/1135736808.db2.gz XTQJQIRKACSUAS-KBPBESRZSA-N -1 1 344.484 3.706 20 0 EHADMM O=C([N-]Cc1ccc(Cl)cn1)C(F)(F)c1cccc(Cl)c1 ZINC000775832891 1135791359 /nfs/dbraw/zinc/79/13/59/1135791359.db2.gz IGQBIWZWPZKUTL-UHFFFAOYSA-N -1 1 331.149 3.797 20 0 EHADMM C[C@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000809338041 1135828270 /nfs/dbraw/zinc/82/82/70/1135828270.db2.gz BNAAUGXBKNZGOE-RFAUZJTJSA-N -1 1 339.288 3.695 20 0 EHADMM Cc1cc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)nc2ccccc12 ZINC001198586165 1135840184 /nfs/dbraw/zinc/84/01/84/1135840184.db2.gz QQGXRNOZMCQALS-UHFFFAOYSA-N -1 1 344.374 3.687 20 0 EHADMM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc2occc2c1 ZINC001198816732 1135859375 /nfs/dbraw/zinc/85/93/75/1135859375.db2.gz ONNBTVPCPZSHPJ-UHFFFAOYSA-N -1 1 330.390 3.843 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(Cl)c2)c(C)c1 ZINC001198907952 1135868705 /nfs/dbraw/zinc/86/87/05/1135868705.db2.gz WKKXGKWDKSDUDP-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM Cc1c(NC(=O)c2cc(Br)ccc2[O-])cccc1N(C)C ZINC000775986983 1135910152 /nfs/dbraw/zinc/91/01/52/1135910152.db2.gz AVVYZTCPRSFISC-UHFFFAOYSA-N -1 1 349.228 3.781 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c(Cl)n1 ZINC001199703780 1135920782 /nfs/dbraw/zinc/92/07/82/1135920782.db2.gz VJDYZLGHIFRTBJ-UHFFFAOYSA-N -1 1 330.775 3.693 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnc3ccccn23)c(C)c1C ZINC001201792778 1136062985 /nfs/dbraw/zinc/06/29/85/1136062985.db2.gz RBOBKWONXDHOEU-UHFFFAOYSA-N -1 1 343.452 3.677 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1cncs1 ZINC000338909463 1136147971 /nfs/dbraw/zinc/14/79/71/1136147971.db2.gz IAGAFSZERPAPIZ-QMMMGPOBSA-N -1 1 333.800 3.541 20 0 EHADMM CCc1cc2c(COC(=O)c3ccc(C)cc3)cc(=O)oc2cc1[O-] ZINC000006431743 1136174485 /nfs/dbraw/zinc/17/44/85/1136174485.db2.gz ZJQTYUBNXJMUFX-UHFFFAOYSA-N -1 1 338.359 3.726 20 0 EHADMM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1c([O-])cccc1Cl)C2 ZINC000812355395 1136197878 /nfs/dbraw/zinc/19/78/78/1136197878.db2.gz CKXBSCYPOSSHBP-UHFFFAOYSA-N -1 1 343.810 3.742 20 0 EHADMM C[C@@H](C(=O)[N-]OC1CCCCC1)c1cccc(Br)c1 ZINC000812545275 1136219403 /nfs/dbraw/zinc/21/94/03/1136219403.db2.gz ZDEMIFYBDUSHLB-LLVKDONJSA-N -1 1 326.234 3.933 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1F)[N-][C@@H](c1ccccc1)C(F)F ZINC000814286013 1136433906 /nfs/dbraw/zinc/43/39/06/1136433906.db2.gz VCZMYIGSQOVMSD-WOLCWHLNSA-N -1 1 341.354 3.722 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2c(c(Cl)c1)OCO2 ZINC000111668441 1136570034 /nfs/dbraw/zinc/57/00/34/1136570034.db2.gz YXADCRMUGQKKRW-UHFFFAOYSA-N -1 1 326.135 3.680 20 0 EHADMM CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111668602 1136570183 /nfs/dbraw/zinc/57/01/83/1136570183.db2.gz JBEADSFOVNXKLY-UHFFFAOYSA-N -1 1 347.802 3.828 20 0 EHADMM CCCc1nc(C)c([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)s1 ZINC000776742470 1136617361 /nfs/dbraw/zinc/61/73/61/1136617361.db2.gz JLEOAVYCSYFFGR-KTKRTIGZSA-N -1 1 340.445 3.956 20 0 EHADMM Cc1cccnc1C(F)(F)C(=O)[N-]CC(F)(F)c1cccc(F)c1 ZINC000855385024 1136692880 /nfs/dbraw/zinc/69/28/80/1136692880.db2.gz CZRPHONBMLEKPU-UHFFFAOYSA-N -1 1 344.283 3.529 20 0 EHADMM O=C(NCCc1cccc(Cl)c1)c1c([O-])cnc2c(F)cccc21 ZINC001135612800 1136729650 /nfs/dbraw/zinc/72/96/50/1136729650.db2.gz KFPNSLMXUBCBNZ-UHFFFAOYSA-N -1 1 344.773 3.705 20 0 EHADMM Cc1cccnc1C(F)(F)C(=O)[N-]CC(F)(F)c1ccc(F)cc1 ZINC000856156486 1136759508 /nfs/dbraw/zinc/75/95/08/1136759508.db2.gz SDYNERSCHJVZOZ-UHFFFAOYSA-N -1 1 344.283 3.529 20 0 EHADMM CCn1c2ccccc2c2cc(NC(=O)c3cnncc3[O-])ccc21 ZINC001135745863 1136765091 /nfs/dbraw/zinc/76/50/91/1136765091.db2.gz HKOQABMOVKBWTH-UHFFFAOYSA-N -1 1 332.363 3.562 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1OCCc2sccc21 ZINC000817051818 1136772509 /nfs/dbraw/zinc/77/25/09/1136772509.db2.gz QOMTVFBWTGXLTI-BJOHPYRUSA-N -1 1 337.828 3.539 20 0 EHADMM COc1ccc(C2(C[N-]C(=O)C(F)(F)F)CCCCC2)cc1OC ZINC000114422915 1136794854 /nfs/dbraw/zinc/79/48/54/1136794854.db2.gz MVXLJSYWEKJKAM-UHFFFAOYSA-N -1 1 345.361 3.584 20 0 EHADMM O=C(NCCCCc1ccccc1)c1cc(Br)ccc1[O-] ZINC001136110607 1136859625 /nfs/dbraw/zinc/85/96/25/1136859625.db2.gz OVYAZJSEPFETRU-UHFFFAOYSA-N -1 1 348.240 3.907 20 0 EHADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001136266512 1136959772 /nfs/dbraw/zinc/95/97/72/1136959772.db2.gz UBNMRUYALINQQP-ACJLOTCBSA-N -1 1 343.423 3.576 20 0 EHADMM COC(=O)CC[C@@H](CC1CCCCC1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858572574 1136979643 /nfs/dbraw/zinc/97/96/43/1136979643.db2.gz QMUITHPQWDVSJN-LBPRGKRZSA-N -1 1 341.839 3.540 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)nc1 ZINC000116603481 1137008228 /nfs/dbraw/zinc/00/82/28/1137008228.db2.gz NWAILGIMQDJQFD-UHFFFAOYSA-N -1 1 332.450 3.533 20 0 EHADMM Cc1cnc(C(=O)NCc2ccccc2Oc2ccccc2)c([O-])c1 ZINC001136464880 1137032448 /nfs/dbraw/zinc/03/24/48/1137032448.db2.gz ZDMAUSOQYKIXSL-UHFFFAOYSA-N -1 1 334.375 3.818 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC001136776035 1137113070 /nfs/dbraw/zinc/11/30/70/1137113070.db2.gz SCZQRQMVWAEONL-QGZVFWFLSA-N -1 1 329.827 3.726 20 0 EHADMM C[C@@H](CCc1cccn1C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001136787073 1137116440 /nfs/dbraw/zinc/11/64/40/1137116440.db2.gz WFCVGVWSAYXODX-NSHDSACASA-N -1 1 340.345 3.501 20 0 EHADMM C[C@@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1cccc(O)c1 ZINC000794561654 1137203486 /nfs/dbraw/zinc/20/34/86/1137203486.db2.gz IDTDGXGMBCGYBO-SNVBAGLBSA-N -1 1 345.782 3.708 20 0 EHADMM CC(C)(C)c1nsc([N-]C(=O)c2cc3c(ccnc3Cl)o2)n1 ZINC000865144311 1137264889 /nfs/dbraw/zinc/26/48/89/1137264889.db2.gz ZFMDLRUDELCIEG-UHFFFAOYSA-N -1 1 336.804 3.883 20 0 EHADMM CCc1nc(S[C@@H](CC)C(=O)Nc2ccc(C)cc2)[n-]c(=O)c1C ZINC000865369988 1137277965 /nfs/dbraw/zinc/27/79/65/1137277965.db2.gz GFTHLCFMGAOVMJ-HNNXBMFYSA-N -1 1 345.468 3.871 20 0 EHADMM CN(Cc1ncccc1C(F)(F)F)Cc1c(F)cc([O-])cc1F ZINC001144545159 1137305047 /nfs/dbraw/zinc/30/50/47/1137305047.db2.gz UQZPADHCHSEZDN-UHFFFAOYSA-N -1 1 332.272 3.716 20 0 EHADMM [O-]c1cc(F)c(CN2CCn3c(-c4ccccc4)cnc3C2)cc1F ZINC001144660014 1137327031 /nfs/dbraw/zinc/32/70/31/1137327031.db2.gz UIGGJBLIVGUSLB-UHFFFAOYSA-N -1 1 341.361 3.550 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC(F)(c2ccccn2)CC1 ZINC000846099069 1137335380 /nfs/dbraw/zinc/33/53/80/1137335380.db2.gz WEJCSFMUAINQKV-UHFFFAOYSA-N -1 1 334.778 3.542 20 0 EHADMM CC(C)(CC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1 ZINC001144725672 1137336450 /nfs/dbraw/zinc/33/64/50/1137336450.db2.gz IOWKBWZVODKETQ-UHFFFAOYSA-N -1 1 335.407 3.884 20 0 EHADMM CCOc1cc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)cc(Cl)c1[O-] ZINC000846573962 1137357245 /nfs/dbraw/zinc/35/72/45/1137357245.db2.gz UXTVKADBMNBFBC-OAHLLOKOSA-N -1 1 345.773 3.706 20 0 EHADMM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000866501199 1137359219 /nfs/dbraw/zinc/35/92/19/1137359219.db2.gz ZAOOLUJVLBCIBH-SECBINFHSA-N -1 1 349.786 3.780 20 0 EHADMM CC[C@@H](C(=O)[N-]OCC1CCC1)c1ccc(Br)cc1 ZINC001148107532 1137418011 /nfs/dbraw/zinc/41/80/11/1137418011.db2.gz QRFCTPZLHZDAAY-CQSZACIVSA-N -1 1 326.234 3.791 20 0 EHADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Br)ccc1[O-] ZINC001148513149 1137426186 /nfs/dbraw/zinc/42/61/86/1137426186.db2.gz NVLGIDWNGMLHNE-CMPLNLGQSA-N -1 1 326.234 3.948 20 0 EHADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1nc(C2CC2)cs1 ZINC001148549544 1137427604 /nfs/dbraw/zinc/42/76/04/1137427604.db2.gz ORYXNROUUYHUBI-AATRIKPKSA-N -1 1 344.421 3.888 20 0 EHADMM Cc1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3[O-])[nH]c2c1 ZINC001148552487 1137427750 /nfs/dbraw/zinc/42/77/50/1137427750.db2.gz BQVSOAOTRJEBQX-UHFFFAOYSA-N -1 1 349.312 3.526 20 0 EHADMM Cc1cnn(CCCCCOC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC000869737061 1137464819 /nfs/dbraw/zinc/46/48/19/1137464819.db2.gz ZRYQEDPUASOOFL-UHFFFAOYSA-N -1 1 336.819 3.507 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC000871223069 1137528343 /nfs/dbraw/zinc/52/83/43/1137528343.db2.gz PXHRVYMNVJTLJE-OAHLLOKOSA-N -1 1 331.460 3.656 20 0 EHADMM Cc1ccc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000872158107 1137574243 /nfs/dbraw/zinc/57/42/43/1137574243.db2.gz ZZHLALRPVMUOBW-DNVCBOLYSA-N -1 1 325.408 3.655 20 0 EHADMM Cc1ccc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000872158108 1137574387 /nfs/dbraw/zinc/57/43/87/1137574387.db2.gz ZZHLALRPVMUOBW-HNAYVOBHSA-N -1 1 325.408 3.655 20 0 EHADMM O=C([O-])c1csc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000872158529 1137574559 /nfs/dbraw/zinc/57/45/59/1137574559.db2.gz DZPLWSUZWGWISW-GFCCVEGCSA-N -1 1 337.828 3.753 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2C2CC2)cc1 ZINC000872413701 1137579667 /nfs/dbraw/zinc/57/96/67/1137579667.db2.gz SXRAXJBXPYSKTF-UHFFFAOYSA-N -1 1 347.436 3.520 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@H]1CCCOc2ccccc21 ZINC000872863902 1137585799 /nfs/dbraw/zinc/58/57/99/1137585799.db2.gz LLGBDPXQTSHCPF-HNNXBMFYSA-N -1 1 346.814 3.759 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)NC[C@@H]1CCCC(F)(F)C1 ZINC000873003079 1137587727 /nfs/dbraw/zinc/58/77/27/1137587727.db2.gz KOOWQJJDDIENDQ-LLVKDONJSA-N -1 1 332.778 3.670 20 0 EHADMM CC[C@H](CNC(=O)NCc1ccc([O-])c(Cl)c1)CC(F)(F)F ZINC000873043958 1137588761 /nfs/dbraw/zinc/58/87/61/1137588761.db2.gz XURGVCWZGJUKBC-VIFPVBQESA-N -1 1 338.757 3.823 20 0 EHADMM CCCO[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876394557 1137650683 /nfs/dbraw/zinc/65/06/83/1137650683.db2.gz XEUCTICSNBUQKO-AWEZNQCLSA-N -1 1 340.851 3.536 20 0 EHADMM CCSCC[C@@H](C)N(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394182 1137650707 /nfs/dbraw/zinc/65/07/07/1137650707.db2.gz RHPFAWQHOAFJFS-LLVKDONJSA-N -1 1 330.881 3.719 20 0 EHADMM COc1ccccc1[C@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000877755223 1137688062 /nfs/dbraw/zinc/68/80/62/1137688062.db2.gz GARAJOCFMQVTLY-QGZVFWFLSA-N -1 1 333.815 3.628 20 0 EHADMM COc1cccc(Cc2cnc(NC(=O)c3ccccc3[O-])s2)c1 ZINC000023488722 1137755734 /nfs/dbraw/zinc/75/57/34/1137755734.db2.gz HFWVGCFZACYNAI-UHFFFAOYSA-N -1 1 340.404 3.700 20 0 EHADMM Cc1nnc(-c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2)o1 ZINC000129521894 1137824230 /nfs/dbraw/zinc/82/42/30/1137824230.db2.gz QCDIWFSEIJAVML-UHFFFAOYSA-N -1 1 329.743 3.656 20 0 EHADMM O=C1[N-]C(=S)SC1=Cc1ccccc1OCc1ccccn1 ZINC000025197920 1137825725 /nfs/dbraw/zinc/82/57/25/1137825725.db2.gz LKKZOUJIKFANBB-ZROIWOOFSA-N -1 1 328.418 3.990 20 0 EHADMM CCC[C@@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000027461885 1137857182 /nfs/dbraw/zinc/85/71/82/1137857182.db2.gz BLPZBBBLNBWMIQ-CYBMUJFWSA-N -1 1 332.473 3.611 20 0 EHADMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1ccc([O-])c(Cl)c1)N2 ZINC000106899928 1137884934 /nfs/dbraw/zinc/88/49/34/1137884934.db2.gz ZZBXPEUCBLKWLB-QGZVFWFLSA-N -1 1 344.798 3.783 20 0 EHADMM O=c1nc(CN(Cc2ccc(F)cc2)C2CC2)[n-]c2ccsc21 ZINC000015519477 1137940388 /nfs/dbraw/zinc/94/03/88/1137940388.db2.gz GEHMDGWCRZHRBI-UHFFFAOYSA-N -1 1 329.400 3.701 20 0 EHADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000121384239 1137957362 /nfs/dbraw/zinc/95/73/62/1137957362.db2.gz VVZSFZBIIWARCO-DGCLKSJQSA-N -1 1 343.427 3.502 20 0 EHADMM O=C([N-]c1cccc(Cl)c1SCC(F)F)c1cnsn1 ZINC000134997303 1137962321 /nfs/dbraw/zinc/96/23/21/1137962321.db2.gz ALMTWQRCFOXCRC-UHFFFAOYSA-N -1 1 335.788 3.801 20 0 EHADMM CC(C)c1ccc(CCC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066639083 1138076438 /nfs/dbraw/zinc/07/64/38/1138076438.db2.gz IWGUKDKIDCLACP-UHFFFAOYSA-N -1 1 346.500 3.894 20 0 EHADMM O=C(CC1CCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000079555939 1138156759 /nfs/dbraw/zinc/15/67/59/1138156759.db2.gz KXERSFHAPIICKU-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM COc1cc(CN(C(=O)c2ccc(Cl)cc2[O-])C2CC2)ccc1O ZINC000092763671 1138231865 /nfs/dbraw/zinc/23/18/65/1138231865.db2.gz SMIBAOFGQKBBDM-UHFFFAOYSA-N -1 1 347.798 3.565 20 0 EHADMM COc1cc(C(=O)Nc2cnn(C3CCCC3)c2C)cc(Cl)c1[O-] ZINC000333347188 1138279499 /nfs/dbraw/zinc/27/94/99/1138279499.db2.gz QQVQKQCVYLJRJH-UHFFFAOYSA-N -1 1 349.818 3.927 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cc(F)cc(F)c1 ZINC000337130214 1138473605 /nfs/dbraw/zinc/47/36/05/1138473605.db2.gz BSPQJACBEIAESZ-UHFFFAOYSA-N -1 1 327.327 3.782 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000337736818 1138655775 /nfs/dbraw/zinc/65/57/75/1138655775.db2.gz ASJNXUKOXHQHTC-UHFFFAOYSA-N -1 1 346.433 3.864 20 0 EHADMM CCn1c(C)cc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c1C ZINC000338078319 1138743334 /nfs/dbraw/zinc/74/33/34/1138743334.db2.gz MCGHPHBWZUNWCJ-UHFFFAOYSA-N -1 1 328.441 3.559 20 0 EHADMM CCOc1cc(C(=O)Nc2cnn(C3CCC3)c2)cc(Cl)c1[O-] ZINC000889066177 1139161419 /nfs/dbraw/zinc/16/14/19/1139161419.db2.gz SYGNOWNQUMGKSG-UHFFFAOYSA-N -1 1 335.791 3.618 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C3CC3)on2)c1 ZINC000182907121 1140000689 /nfs/dbraw/zinc/00/06/89/1140000689.db2.gz DFJZSFSZNOMBSH-UHFFFAOYSA-N -1 1 337.173 3.581 20 0 EHADMM CCOc1cc(C(=O)N2CCc3cc(OC)ccc32)cc(Cl)c1[O-] ZINC000186717408 1140218468 /nfs/dbraw/zinc/21/84/68/1140218468.db2.gz AVBMWTPIGFYMGV-UHFFFAOYSA-N -1 1 347.798 3.656 20 0 EHADMM CCOc1cc(C(=O)N2CCN(C)c3ccccc32)cc(Cl)c1[O-] ZINC000186806366 1140222201 /nfs/dbraw/zinc/22/22/01/1140222201.db2.gz WBCQXMJWVPZXCF-UHFFFAOYSA-N -1 1 346.814 3.541 20 0 EHADMM Cc1cc(C)c(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(C)c1 ZINC000188150293 1140285184 /nfs/dbraw/zinc/28/51/84/1140285184.db2.gz QOCXEYSCTGEMDR-UHFFFAOYSA-N -1 1 343.452 3.716 20 0 EHADMM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000188598915 1140302159 /nfs/dbraw/zinc/30/21/59/1140302159.db2.gz FBEPHZYTXPGBTA-UHFFFAOYSA-N -1 1 344.820 3.533 20 0 EHADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl ZINC000268964530 1141036358 /nfs/dbraw/zinc/03/63/58/1141036358.db2.gz MEDXWBUBVGETLH-UHFFFAOYSA-N -1 1 336.747 3.683 20 0 EHADMM [O-]c1cccc(CNc2cc(-c3cccs3)nn2CCO)c1Cl ZINC000339222854 1141532660 /nfs/dbraw/zinc/53/26/60/1141532660.db2.gz GXJSCBIOUZZTIA-UHFFFAOYSA-N -1 1 349.843 3.575 20 0 EHADMM COc1ccc(C[C@@H](C)CN(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000348970893 1141617604 /nfs/dbraw/zinc/61/76/04/1141617604.db2.gz XQFNIYLDXAVMDX-GFCCVEGCSA-N -1 1 349.377 3.630 20 0 EHADMM C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043043642 201100256 /nfs/dbraw/zinc/10/02/56/201100256.db2.gz WWAIQOGHXMBNHJ-RDTXWAMCSA-N -1 1 344.455 3.575 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000078776187 201193595 /nfs/dbraw/zinc/19/35/95/201193595.db2.gz VRAZRDDVYKGAPB-UHFFFAOYSA-N -1 1 327.428 3.752 20 0 EHADMM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000090165479 201370692 /nfs/dbraw/zinc/37/06/92/201370692.db2.gz KEQKKSKNLKCNLZ-UHFFFAOYSA-N -1 1 332.244 3.620 20 0 EHADMM CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000737189889 598861026 /nfs/dbraw/zinc/86/10/26/598861026.db2.gz DLCZOAZZPBRRIF-UHFFFAOYSA-N -1 1 341.318 3.571 20 0 EHADMM C[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Sc1ccccc1 ZINC000820280958 599080517 /nfs/dbraw/zinc/08/05/17/599080517.db2.gz PZSWOKGPTYQOKX-JTQLQIEISA-N -1 1 346.847 3.508 20 0 EHADMM C[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Sc1ccccc1 ZINC000820280958 599080520 /nfs/dbraw/zinc/08/05/20/599080520.db2.gz PZSWOKGPTYQOKX-JTQLQIEISA-N -1 1 346.847 3.508 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676232822 597074096 /nfs/dbraw/zinc/07/40/96/597074096.db2.gz HFUBOXNPEXYLCJ-NWDGAFQWSA-N -1 1 337.370 3.679 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccccc2OCc2ccccn2)cc1 ZINC000426703896 597136632 /nfs/dbraw/zinc/13/66/32/597136632.db2.gz IAZLQCVUQORNBU-UHFFFAOYSA-N -1 1 348.402 3.649 20 0 EHADMM c1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000738436431 599263461 /nfs/dbraw/zinc/26/34/61/599263461.db2.gz IEURCTULOQJDSG-INIZCTEOSA-N -1 1 328.379 3.514 20 0 EHADMM c1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000738436431 599263463 /nfs/dbraw/zinc/26/34/63/599263463.db2.gz IEURCTULOQJDSG-INIZCTEOSA-N -1 1 328.379 3.514 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000823737643 607313601 /nfs/dbraw/zinc/31/36/01/607313601.db2.gz GWMRVZMCZJNLCS-UHFFFAOYSA-N -1 1 348.366 3.604 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000823737643 607313602 /nfs/dbraw/zinc/31/36/02/607313602.db2.gz GWMRVZMCZJNLCS-UHFFFAOYSA-N -1 1 348.366 3.604 20 0 EHADMM Clc1ccc(N[C@H]2CCSc3ccccc32)nc1-c1nnn[n-]1 ZINC000737573308 598575145 /nfs/dbraw/zinc/57/51/45/598575145.db2.gz FULITIUDUYMCIG-NSHDSACASA-N -1 1 344.831 3.564 20 0 EHADMM Clc1ccc(N[C@H]2CCSc3ccccc32)nc1-c1nn[n-]n1 ZINC000737573308 598575146 /nfs/dbraw/zinc/57/51/46/598575146.db2.gz FULITIUDUYMCIG-NSHDSACASA-N -1 1 344.831 3.564 20 0 EHADMM Cc1cc(C)cc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737253092 598580369 /nfs/dbraw/zinc/58/03/69/598580369.db2.gz PWCOKBLYNLMSQU-LLVKDONJSA-N -1 1 328.807 3.705 20 0 EHADMM Cc1cc(C)cc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737253092 598580371 /nfs/dbraw/zinc/58/03/71/598580371.db2.gz PWCOKBLYNLMSQU-LLVKDONJSA-N -1 1 328.807 3.705 20 0 EHADMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(C)cc1 ZINC000820925155 599464782 /nfs/dbraw/zinc/46/47/82/599464782.db2.gz FQUAVPPMDDBZPY-CYBMUJFWSA-N -1 1 328.807 3.787 20 0 EHADMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC000820925155 599464785 /nfs/dbraw/zinc/46/47/85/599464785.db2.gz FQUAVPPMDDBZPY-CYBMUJFWSA-N -1 1 328.807 3.787 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F ZINC000683174638 599788103 /nfs/dbraw/zinc/78/81/03/599788103.db2.gz VRESZOOAFIIMAX-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM COc1ccc(OC)c([C@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738047285 600418375 /nfs/dbraw/zinc/41/83/75/600418375.db2.gz CIUDVWIITJAMOU-APPDUMDISA-N -1 1 349.814 3.834 20 0 EHADMM Cc1cc(CN[C@H]2CSc3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000738389616 600440307 /nfs/dbraw/zinc/44/03/07/600440307.db2.gz QRAAWKLTXAIHLF-INIZCTEOSA-N -1 1 343.448 3.703 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000574458788 600440505 /nfs/dbraw/zinc/44/05/05/600440505.db2.gz WRPFYQVHKPKRNI-GXTWGEPZSA-N -1 1 345.370 3.773 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC[C@]3(CC=CCC3)C2)c(C)c1C(=O)[O-] ZINC000738237702 600449545 /nfs/dbraw/zinc/44/95/45/600449545.db2.gz WXYISMGTGPFTIC-FOIQADDNSA-N -1 1 344.455 3.723 20 0 EHADMM Cc1cccc(C)c1OCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790744 600540447 /nfs/dbraw/zinc/54/04/47/600540447.db2.gz HZBQRUYIQUIYOW-UHFFFAOYSA-N -1 1 325.408 3.786 20 0 EHADMM CN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccsc1 ZINC000652380393 600816621 /nfs/dbraw/zinc/81/66/21/600816621.db2.gz RIYUNQOXERTCDK-UHFFFAOYSA-N -1 1 325.817 3.611 20 0 EHADMM CCC(C)(C)CCN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000652453573 600817109 /nfs/dbraw/zinc/81/71/09/600817109.db2.gz VNTFBAGHGZGMBF-MRXNPFEDSA-N -1 1 349.471 3.904 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000826055070 601205298 /nfs/dbraw/zinc/20/52/98/601205298.db2.gz VIHAQYWTAZMQDG-LIRRHRJNSA-N -1 1 336.391 3.893 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000830369873 601415901 /nfs/dbraw/zinc/41/59/01/601415901.db2.gz UBLUEVRKSAOKPA-CQSZACIVSA-N -1 1 343.379 3.606 20 0 EHADMM C[C@H](CN(Cc1csc(CCc2ccccc2)n1)C1CC1)C(=O)[O-] ZINC000572773653 601838250 /nfs/dbraw/zinc/83/82/50/601838250.db2.gz ATORBLITUXSRLG-CQSZACIVSA-N -1 1 344.480 3.613 20 0 EHADMM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000662218665 601840945 /nfs/dbraw/zinc/84/09/45/601840945.db2.gz QWHIMOXITVLELJ-OAHLLOKOSA-N -1 1 346.471 3.714 20 0 EHADMM O=C([O-])N1CCC(N(Cn2c3ccccc3oc2=S)C2CC2)CC1 ZINC000740505086 601913624 /nfs/dbraw/zinc/91/36/24/601913624.db2.gz IGJROFDCPKWPIH-UHFFFAOYSA-N -1 1 347.440 3.528 20 0 EHADMM C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(CCNC(=O)[O-])cc2)o1 ZINC000739090003 602003345 /nfs/dbraw/zinc/00/33/45/602003345.db2.gz MXDCMGBFNUAHCD-CXAGYDPISA-N -1 1 328.412 3.503 20 0 EHADMM COc1ccc2c(c1)C[N@H+](C/C=C(/C)C(=O)[O-])[C@H](c1ccccc1)C2 ZINC000832493798 602347694 /nfs/dbraw/zinc/34/76/94/602347694.db2.gz UTBNLJXTSURWJB-ZRGSNEMSSA-N -1 1 337.419 3.826 20 0 EHADMM COc1ccc2c(c1)CN(C/C=C(/C)C(=O)[O-])[C@H](c1ccccc1)C2 ZINC000832493798 602347697 /nfs/dbraw/zinc/34/76/97/602347697.db2.gz UTBNLJXTSURWJB-ZRGSNEMSSA-N -1 1 337.419 3.826 20 0 EHADMM CN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCN(C(=O)[O-])CC1 ZINC000828419775 603995040 /nfs/dbraw/zinc/99/50/40/603995040.db2.gz BWCXCLGBSZKTBL-UHFFFAOYSA-N -1 1 349.818 3.569 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1cccc(OC(F)(F)F)c1 ZINC000827742017 604332453 /nfs/dbraw/zinc/33/24/53/604332453.db2.gz ZRTZRDGAUFKESO-SECBINFHSA-N -1 1 329.274 3.727 20 0 EHADMM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cnc(C2CCCC2)s1 ZINC000833193626 604468043 /nfs/dbraw/zinc/46/80/43/604468043.db2.gz FMKQUYCTSZDXMU-KRWDZBQOSA-N -1 1 342.464 3.812 20 0 EHADMM O=C([O-])c1cccc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000422590904 604653769 /nfs/dbraw/zinc/65/37/69/604653769.db2.gz NMZHJACCUNHEEQ-KRWDZBQOSA-N -1 1 348.406 3.507 20 0 EHADMM CN(Cc1cc(Cl)cc(Cl)c1)[C@H](C(=O)[O-])c1cccnc1 ZINC000833694422 604865451 /nfs/dbraw/zinc/86/54/51/604865451.db2.gz KVRIKSOAYKCFRZ-AWEZNQCLSA-N -1 1 325.195 3.646 20 0 EHADMM CCCOc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1OC ZINC000833651913 605077253 /nfs/dbraw/zinc/07/72/53/605077253.db2.gz GYBFWLPUJODBLV-LBPRGKRZSA-N -1 1 333.384 3.626 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000833681317 605097688 /nfs/dbraw/zinc/09/76/88/605097688.db2.gz XTJCCPWKVAYFTH-CQSZACIVSA-N -1 1 345.395 3.552 20 0 EHADMM CC(C)(NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-] ZINC000833461087 605116873 /nfs/dbraw/zinc/11/68/73/605116873.db2.gz NHWROPBISLYPMK-UHFFFAOYSA-N -1 1 327.302 3.918 20 0 EHADMM COc1ccccc1[C@@H](C)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829592024 605119753 /nfs/dbraw/zinc/11/97/53/605119753.db2.gz KOORJLXSNBNZIQ-ZIAGYGMSSA-N -1 1 328.412 3.875 20 0 EHADMM CCOc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833660699 605142119 /nfs/dbraw/zinc/14/21/19/605142119.db2.gz QSEUOFQGKPIXGU-MRXNPFEDSA-N -1 1 337.778 3.793 20 0 EHADMM CC(C)OC(=O)C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263444260 605268320 /nfs/dbraw/zinc/26/83/20/605268320.db2.gz XJXALCNFQHYEBB-GOSISDBHSA-N -1 1 341.407 3.557 20 0 EHADMM CC1(C)CN(Cc2ccc(OCC(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000833561724 605294864 /nfs/dbraw/zinc/29/48/64/605294864.db2.gz RCWHORFNJWUDGA-LJQANCHMSA-N -1 1 325.408 3.733 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2ccc(NC(=O)[O-])nc2)cc1 ZINC000829332341 605495105 /nfs/dbraw/zinc/49/51/05/605495105.db2.gz QPDZQKTVLDLBEO-MRXNPFEDSA-N -1 1 327.384 3.517 20 0 EHADMM O=C([O-])N[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000834149999 605620980 /nfs/dbraw/zinc/62/09/80/605620980.db2.gz KERUKDKFNFRQBN-PMACEKPBSA-N -1 1 347.418 3.770 20 0 EHADMM O=C([O-])Nc1cccc(CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000834267839 605637818 /nfs/dbraw/zinc/63/78/18/605637818.db2.gz CCEOFNHBXOYAAZ-UHFFFAOYSA-N -1 1 344.371 3.993 20 0 EHADMM O=C([O-])N[C@@H]1C[C@@H](NC2(c3cccc(F)c3)CC2)c2ccccc21 ZINC000834157311 605810331 /nfs/dbraw/zinc/81/03/31/605810331.db2.gz GGAVPNAOHDJTHV-IAGOWNOFSA-N -1 1 326.371 3.858 20 0 EHADMM CCn1cc(C2CCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)cn1 ZINC000582790774 605830608 /nfs/dbraw/zinc/83/06/08/605830608.db2.gz FLSHSJDBFJXSBP-UHFFFAOYSA-N -1 1 347.846 3.634 20 0 EHADMM Cc1ccncc1CN[C@@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833911195 605973571 /nfs/dbraw/zinc/97/35/71/605973571.db2.gz QOVXLSDVCCJODD-IBGZPJMESA-N -1 1 335.407 3.642 20 0 EHADMM CC(C)Oc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000824333281 608176599 /nfs/dbraw/zinc/17/65/99/608176599.db2.gz HSOUWMRYGITKNN-UHFFFAOYSA-N -1 1 336.808 3.507 20 0 EHADMM CC(C)Oc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000824333281 608176601 /nfs/dbraw/zinc/17/66/01/608176601.db2.gz HSOUWMRYGITKNN-UHFFFAOYSA-N -1 1 336.808 3.507 20 0 EHADMM CC[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825153736 608498324 /nfs/dbraw/zinc/49/83/24/608498324.db2.gz IYDUASUJZHEBRJ-CYBMUJFWSA-N -1 1 328.397 3.545 20 0 EHADMM C[C@H]1CCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824925736 609509567 /nfs/dbraw/zinc/50/95/67/609509567.db2.gz GIFUNCPTAJIUNK-VHSXEESVSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@H]1CCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824925736 609509568 /nfs/dbraw/zinc/50/95/68/609509568.db2.gz GIFUNCPTAJIUNK-VHSXEESVSA-N -1 1 333.461 3.600 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000324764165 971155016 /nfs/dbraw/zinc/15/50/16/971155016.db2.gz XGVKEVNOXNNZNM-ZDUSSCGKSA-N -1 1 332.375 3.558 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2[nH]1 ZINC000328096435 971446128 /nfs/dbraw/zinc/44/61/28/971446128.db2.gz ZWMKFDRIEYHANK-VXGBXAGGSA-N -1 1 343.427 3.690 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(F)cc2Br)s1 ZINC001595230828 949344845 /nfs/dbraw/zinc/34/48/45/949344845.db2.gz OWCJJIPTGAVDHF-UHFFFAOYSA-N -1 1 344.205 3.638 20 0 EHADMM CCN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1occc1C ZINC001589736783 950546825 /nfs/dbraw/zinc/54/68/25/950546825.db2.gz OHBLITBZRLUEKV-HNNXBMFYSA-N -1 1 346.427 3.504 20 0 EHADMM C[C@H]1CCN(Cc2ccc(Cl)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000565421961 953614230 /nfs/dbraw/zinc/61/42/30/953614230.db2.gz IWYRVKQCRRVHIN-ONGXEEELSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C[C@@H]1C(=O)[O-] ZINC001589354671 954116118 /nfs/dbraw/zinc/11/61/18/954116118.db2.gz BXJSLBQZUODHAY-FZMZJTMJSA-N -1 1 334.803 3.538 20 0 EHADMM O=C([O-])c1ccoc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000013394809 957050025 /nfs/dbraw/zinc/05/00/25/957050025.db2.gz DIHPRERKKPKEIY-UHFFFAOYSA-N -1 1 335.772 3.709 20 0 EHADMM COc1ccc2c(c1)OC(C)(C)CN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001594117992 958573249 /nfs/dbraw/zinc/57/32/49/958573249.db2.gz MZKYXASKWZGUMO-UHFFFAOYSA-N -1 1 347.436 3.628 20 0 EHADMM Cc1cccc([C@H](NCc2ccnc(Cl)c2Cl)C(=O)[O-])c1 ZINC001594397625 958783452 /nfs/dbraw/zinc/78/34/52/958783452.db2.gz KZEFFQSJKHTYPW-ZDUSSCGKSA-N -1 1 325.195 3.612 20 0 EHADMM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000238016747 961076844 /nfs/dbraw/zinc/07/68/44/961076844.db2.gz PKMJHWWAQLVQBU-UHFFFAOYSA-N -1 1 349.321 3.806 20 0 EHADMM Cc1ccc2cc(CN3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)[nH]c2c1 ZINC001333138177 961655479 /nfs/dbraw/zinc/65/54/79/961655479.db2.gz RBLSNIDTXATNEQ-OLZOCXBDSA-N -1 1 340.345 3.561 20 0 EHADMM CCc1[nH]nc(Cl)c1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001573963097 961693408 /nfs/dbraw/zinc/69/34/08/961693408.db2.gz HFQXLHDJKAWOMN-UHFFFAOYSA-N -1 1 347.846 3.703 20 0 EHADMM C[C@H](C(=O)[O-])N(Cc1ccc(Cl)cc1Br)C1CC1 ZINC000263368896 967880191 /nfs/dbraw/zinc/88/01/91/967880191.db2.gz XFMBZXSWSDFXKQ-MRVPVSSYSA-N -1 1 332.625 3.540 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2csc(CCc3ccccc3)n2)C1 ZINC000582702828 968477710 /nfs/dbraw/zinc/47/77/10/968477710.db2.gz XSGHAKMOYLCBBL-MRXNPFEDSA-N -1 1 344.480 3.615 20 0 EHADMM C[C@H]1CCN(Cc2cc(Br)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000583499280 968481299 /nfs/dbraw/zinc/48/12/99/968481299.db2.gz ADSLRWFGHAFFCE-JOYOIKCWSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000320660443 970693532 /nfs/dbraw/zinc/69/35/32/970693532.db2.gz QKQUCZQKQLYQRL-LBPRGKRZSA-N -1 1 341.251 3.544 20 0 EHADMM Cc1cc(Cl)cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000417697434 973967071 /nfs/dbraw/zinc/96/70/71/973967071.db2.gz DXSFWBNNIUMBNW-UHFFFAOYSA-N -1 1 330.815 3.909 20 0 EHADMM COCCC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000530164044 974359250 /nfs/dbraw/zinc/35/92/50/974359250.db2.gz MUHLTWUORJSKJY-HNNXBMFYSA-N -1 1 346.254 3.868 20 0 EHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1csc(Br)c1 ZINC000530174548 974363091 /nfs/dbraw/zinc/36/30/91/974363091.db2.gz LNJAVWHOCVZRKF-RKDXNWHRSA-N -1 1 332.263 3.584 20 0 EHADMM COc1ccc(OCCN(C)Cc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000572652151 974751493 /nfs/dbraw/zinc/75/14/93/974751493.db2.gz KTLAAXYCGUVXOD-UHFFFAOYSA-N -1 1 349.814 3.558 20 0 EHADMM Cc1ccc(CN(CCOc2ccc(C(=O)[O-])cc2Cl)C2CC2)o1 ZINC000652387630 975517892 /nfs/dbraw/zinc/51/78/92/975517892.db2.gz DLXAMSGPOJYUJL-UHFFFAOYSA-N -1 1 349.814 3.983 20 0 EHADMM CCOC1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000652394258 975520261 /nfs/dbraw/zinc/52/02/61/975520261.db2.gz SKTOZBLGGRVVOV-AWEZNQCLSA-N -1 1 332.227 3.620 20 0 EHADMM COc1cc(Cl)ccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656763279 975693144 /nfs/dbraw/zinc/69/31/44/975693144.db2.gz ATJLLDLIZBIKRU-JYJNAYRXSA-N -1 1 337.847 3.814 20 0 EHADMM CC(C)Oc1cc(Cl)c(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC001591755411 975818616 /nfs/dbraw/zinc/81/86/16/975818616.db2.gz JWFJTEHEGSKLMI-ZYHUDNBSSA-N -1 1 346.254 3.933 20 0 EHADMM O=C([O-])c1cccc(CNCc2c(Cl)cccc2N2CCCC2)c1 ZINC000683176462 976080054 /nfs/dbraw/zinc/08/00/54/976080054.db2.gz KOPKCILLGSKGLA-UHFFFAOYSA-N -1 1 344.842 3.928 20 0 EHADMM CC(C)c1ccc(-c2noc(CN(C)C(C)(C)CC(=O)[O-])n2)cc1 ZINC001591943790 976483903 /nfs/dbraw/zinc/48/39/03/976483903.db2.gz SNEGRAQWSQYEAK-UHFFFAOYSA-N -1 1 331.416 3.545 20 0 EHADMM CC(C)c1nc([C@@H]2CCCCN2C[C@H]2CCCC[C@@H]2C(=O)[O-])no1 ZINC001592016194 976702953 /nfs/dbraw/zinc/70/29/53/976702953.db2.gz XPKDSNPRKRUVFX-ILXRZTDVSA-N -1 1 335.448 3.611 20 0 EHADMM C[C@H](CCO)N(Cc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC001592530777 978401996 /nfs/dbraw/zinc/40/19/96/978401996.db2.gz YDTGAWUZYPEMQC-CQSZACIVSA-N -1 1 347.842 3.811 20 0 EHADMM O=C([O-])[C@H](NCc1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000756350837 978698983 /nfs/dbraw/zinc/69/89/83/978698983.db2.gz QHUGKKNCMVIYOT-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc2ccccc2o1 ZINC000579789225 1014555036 /nfs/dbraw/zinc/55/50/36/1014555036.db2.gz SQSDZXKHURLQPW-KOMQPUFPSA-N -1 1 345.395 3.796 20 0 EHADMM C[C@@](Cc1ccc(Cl)cc1)(NCc1csc(Cl)n1)C(=O)[O-] ZINC001592840902 979610843 /nfs/dbraw/zinc/61/08/43/979610843.db2.gz TZOKNZFMABKJIT-AWEZNQCLSA-N -1 1 345.251 3.626 20 0 EHADMM O=C([O-])c1cnc(C2CCN(Cc3cc(Cl)cs3)CC2)s1 ZINC000901930761 980635451 /nfs/dbraw/zinc/63/54/51/980635451.db2.gz KCOVGLMLSBVYIF-UHFFFAOYSA-N -1 1 342.873 3.936 20 0 EHADMM Cc1cc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)ccc1F ZINC000901931327 980636664 /nfs/dbraw/zinc/63/66/64/980636664.db2.gz MORBNNMXYFEKMM-UHFFFAOYSA-N -1 1 334.416 3.668 20 0 EHADMM Cc1cc(CNCc2ccc(Br)c(C)c2)oc1C(=O)[O-] ZINC000901936859 980640358 /nfs/dbraw/zinc/64/03/58/980640358.db2.gz CFPRQKFRODBISZ-UHFFFAOYSA-N -1 1 338.201 3.647 20 0 EHADMM CO[C@H]1CCN(Cc2ccc(-c3ccc(C)cc3)s2)[C@H](C(=O)[O-])C1 ZINC000902032338 980704318 /nfs/dbraw/zinc/70/43/18/980704318.db2.gz LQZWXAKRKBHGJX-RDJZCZTQSA-N -1 1 345.464 3.788 20 0 EHADMM Cc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)oc1C(=O)[O-] ZINC000902080816 980723331 /nfs/dbraw/zinc/72/33/31/980723331.db2.gz WPQCZTBZLBVAKY-KRWDZBQOSA-N -1 1 345.395 3.544 20 0 EHADMM Cc1ccc(CCC2CCN(Cc3cc(C(=O)[O-])no3)CC2)cc1 ZINC000902082297 980724302 /nfs/dbraw/zinc/72/43/02/980724302.db2.gz AFJBJAVUDBWQPS-UHFFFAOYSA-N -1 1 328.412 3.526 20 0 EHADMM C[C@@H](NCc1csc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC000902107326 980737707 /nfs/dbraw/zinc/73/77/07/980737707.db2.gz RBGKPXHFRPRHMA-SECBINFHSA-N -1 1 327.352 3.899 20 0 EHADMM CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1cccc(Cl)c1 ZINC000902119962 980743890 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C[C@H](NCc1ccoc1C(=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000902383607 980864784 /nfs/dbraw/zinc/86/47/84/980864784.db2.gz YHRWATWZPQCFKE-NSHDSACASA-N -1 1 333.359 3.757 20 0 EHADMM CC[C@@H](C)CN(C)Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC000903892260 981024154 /nfs/dbraw/zinc/02/41/54/981024154.db2.gz ZKWBZRWXSLKGIW-SNVBAGLBSA-N -1 1 344.249 3.634 20 0 EHADMM O=C([O-])c1ccc(Br)c(CN2CCC[C@H](CCF)C2)c1 ZINC000903906531 981031169 /nfs/dbraw/zinc/03/11/69/981031169.db2.gz KHJRDOPDRZJAKS-LLVKDONJSA-N -1 1 344.224 3.719 20 0 EHADMM O=C([O-])c1ccc(OCCN(Cc2ccoc2)C2CC2)c(Cl)c1 ZINC000903946927 981072392 /nfs/dbraw/zinc/07/23/92/981072392.db2.gz PDMCGCHTFMTSTA-UHFFFAOYSA-N -1 1 335.787 3.675 20 0 EHADMM C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000910360000 981890665 /nfs/dbraw/zinc/89/06/65/981890665.db2.gz RNBKMNGZACWJCC-GTNSWQLSSA-N -1 1 349.390 3.566 20 0 EHADMM CCCN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccccc1F ZINC001595900182 982950411 /nfs/dbraw/zinc/95/04/11/982950411.db2.gz 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1017031163 /nfs/dbraw/zinc/03/11/63/1017031163.db2.gz YQWPZUDYEYFDFJ-GOSISDBHSA-N -1 1 346.377 3.842 20 0 EHADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000080716373 1032174004 /nfs/dbraw/zinc/17/40/04/1032174004.db2.gz UMTPSTOHXXMCNQ-UHFFFAOYSA-N -1 1 341.864 3.843 20 0 EHADMM O=C(Nc1cccc2c1OCC[C@@H]2O)c1cc2ccccc2cc1[O-] ZINC000185276131 1032375933 /nfs/dbraw/zinc/37/59/33/1032375933.db2.gz RCKOKUVXSNNDJE-KRWDZBQOSA-N -1 1 335.359 3.614 20 0 EHADMM COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc2ccccc2cc1[O-] ZINC000592948910 1032627499 /nfs/dbraw/zinc/62/74/99/1032627499.db2.gz DFMMXXPYQCCBAT-UHFFFAOYSA-N -1 1 347.370 3.535 20 0 EHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)[nH]n1 ZINC000471505008 1018397087 /nfs/dbraw/zinc/39/70/87/1018397087.db2.gz BLZRXPCMGRWJJJ-JTQLQIEISA-N -1 1 325.409 3.562 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(Oc3ccccc3F)CC2)c(F)c1 ZINC000634696266 1019281030 /nfs/dbraw/zinc/28/10/30/1019281030.db2.gz QUDRMEVRMISSEO-UHFFFAOYSA-N -1 1 347.361 3.706 20 0 EHADMM 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STRKYWYDYIPATG-JTQLQIEISA-N -1 1 343.770 3.587 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(Cl)cc4c3OCC4)n2)cc1F ZINC000436876367 1021328694 /nfs/dbraw/zinc/32/86/94/1021328694.db2.gz YPMDJUOBRQWPKF-UHFFFAOYSA-N -1 1 332.718 3.837 20 0 EHADMM CCCc1nc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)co1 ZINC000436883614 1021336760 /nfs/dbraw/zinc/33/67/60/1021336760.db2.gz GTFASTNUMZQVRH-UHFFFAOYSA-N -1 1 335.747 3.712 20 0 EHADMM [O-]c1c(-c2nc(Cc3ccc4c(c3)OCO4)no2)ccc2ccccc21 ZINC000436891513 1021346461 /nfs/dbraw/zinc/34/64/61/1021346461.db2.gz IZILOMMKFXJQIW-UHFFFAOYSA-N -1 1 346.342 3.915 20 0 EHADMM O=C(Nc1ccc2ccccc2n1)c1cc(Br)ccc1[O-] ZINC000436910812 1021355454 /nfs/dbraw/zinc/35/54/54/1021355454.db2.gz OLCORMVSOFYEAS-UHFFFAOYSA-N -1 1 343.180 3.955 20 0 EHADMM CO[C@H](c1noc(-c2cc(F)ccc2[O-])n1)c1cccc(Cl)c1 ZINC000436936851 1021399639 /nfs/dbraw/zinc/39/96/39/1021399639.db2.gz CTNZHMMGYJCDPC-AWEZNQCLSA-N -1 1 334.734 3.971 20 0 EHADMM CCOc1cc(-c2nc(-c3ccnc(C)c3)no2)cc(Cl)c1[O-] ZINC000436955018 1021418364 /nfs/dbraw/zinc/41/83/64/1021418364.db2.gz CCCYWDGBIJDHMV-UHFFFAOYSA-N -1 1 331.759 3.865 20 0 EHADMM O=C(N[C@H](c1nccs1)c1ccccc1)c1c([O-])cccc1F ZINC000436977244 1021432736 /nfs/dbraw/zinc/43/27/36/1021432736.db2.gz FCZJHLHTTHVELT-HNNXBMFYSA-N -1 1 328.368 3.507 20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000032599812 1021435102 /nfs/dbraw/zinc/43/51/02/1021435102.db2.gz QJUCCJSSRYCANK-UHFFFAOYSA-N -1 1 325.817 3.930 20 0 EHADMM CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436987757 1021443048 /nfs/dbraw/zinc/44/30/48/1021443048.db2.gz JSPUAJRZKGDWPI-ZDUSSCGKSA-N -1 1 343.448 3.953 20 0 EHADMM CCN(Cc1cccc(Br)c1)C(=O)c1ncc(C)cc1[O-] ZINC000426418531 1021532911 /nfs/dbraw/zinc/53/29/11/1021532911.db2.gz XSFHLPXSIDFINL-UHFFFAOYSA-N -1 1 349.228 3.520 20 0 EHADMM Cc1cnc(C(=O)N(C)Cc2c(Cl)cccc2Cl)c([O-])c1 ZINC000426443272 1021611716 /nfs/dbraw/zinc/61/17/16/1021611716.db2.gz NYWDVSITNCWUCU-UHFFFAOYSA-N -1 1 325.195 3.675 20 0 EHADMM Cc1cnc(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)[n-]c1=O ZINC000581737471 1021653443 /nfs/dbraw/zinc/65/34/43/1021653443.db2.gz IXVAKFYYZJXJBF-LBPRGKRZSA-N -1 1 331.441 3.733 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000519802787 1021694368 /nfs/dbraw/zinc/69/43/68/1021694368.db2.gz YCTDVIBWFMVHNV-UHFFFAOYSA-N -1 1 329.421 3.569 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000437331648 1021740630 /nfs/dbraw/zinc/74/06/30/1021740630.db2.gz GOVSCUNKUYAKFA-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(CC)c1 ZINC000516831601 1021761044 /nfs/dbraw/zinc/76/10/44/1021761044.db2.gz HUBLHQXEVFEVBP-UHFFFAOYSA-N -1 1 346.452 3.653 20 0 EHADMM CCSc1nnc([N-]C(=O)c2coc(C3CCCCC3)n2)s1 ZINC000548258668 1021917513 /nfs/dbraw/zinc/91/75/13/1021917513.db2.gz LWJPFWBYAACQCH-UHFFFAOYSA-N -1 1 338.458 3.938 20 0 EHADMM Cc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)c(N2CCCC2)n1 ZINC000548269761 1021969321 /nfs/dbraw/zinc/96/93/21/1021969321.db2.gz AROPVXLUKUTZDH-UHFFFAOYSA-N -1 1 340.358 3.552 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000520379725 1022189094 /nfs/dbraw/zinc/18/90/94/1022189094.db2.gz LQBGSYAUWMPBFT-SFHVURJKSA-N -1 1 338.794 3.960 20 0 EHADMM COCc1cc(C(=O)[N-]c2ccccc2SC(F)(F)F)no1 ZINC000172963155 1033055418 /nfs/dbraw/zinc/05/54/18/1033055418.db2.gz XPLFZEOBLDHWSB-UHFFFAOYSA-N -1 1 332.303 3.685 20 0 EHADMM COc1ccc2ccccc2c1CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000426661793 1022480758 /nfs/dbraw/zinc/48/07/58/1022480758.db2.gz FNGPXXPSXGAGOI-UHFFFAOYSA-N -1 1 336.391 3.540 20 0 EHADMM Cc1nonc1[N-]C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000060855249 1033069002 /nfs/dbraw/zinc/06/90/02/1033069002.db2.gz PDJKEDUTWPWXOD-UHFFFAOYSA-N -1 1 349.346 3.956 20 0 EHADMM C[C@@H](OCCCNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000280780180 1022653140 /nfs/dbraw/zinc/65/31/40/1022653140.db2.gz NHFKEKJNRNXLRU-GFCCVEGCSA-N -1 1 335.350 3.568 20 0 EHADMM O=S(=O)([N-][C@H]1CCCc2sccc21)c1ccc(F)c(F)c1F ZINC000341635316 1022726539 /nfs/dbraw/zinc/72/65/39/1022726539.db2.gz RFPYFRCACKDSAO-JTQLQIEISA-N -1 1 347.383 3.521 20 0 EHADMM CC[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(C)(C)C ZINC000517962276 1022886033 /nfs/dbraw/zinc/88/60/33/1022886033.db2.gz RHKPMVVTGIRZIX-SECBINFHSA-N -1 1 340.308 3.614 20 0 EHADMM CC[C@H](c1ccccc1)N(CC)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426123422 1022952698 /nfs/dbraw/zinc/95/26/98/1022952698.db2.gz MTAKBQIHPMRBHP-MRXNPFEDSA-N -1 1 329.469 3.753 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1Cl ZINC000607331586 1033088755 /nfs/dbraw/zinc/08/87/55/1033088755.db2.gz RBTJTEKTHKJBPA-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000426693184 1022979817 /nfs/dbraw/zinc/97/98/17/1022979817.db2.gz YCCRNSBPCMEQLC-UHFFFAOYSA-N -1 1 334.213 3.746 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc3c(ccc(C)c3C)[nH]2)o1 ZINC000426769013 1023033193 /nfs/dbraw/zinc/03/31/93/1023033193.db2.gz FELICFFCMJJWRN-QGZVFWFLSA-N -1 1 326.396 3.992 20 0 EHADMM O=C([O-])[C@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000426777980 1023038885 /nfs/dbraw/zinc/03/88/85/1023038885.db2.gz SIPWVUXAUZDMCP-CQSZACIVSA-N -1 1 327.277 3.760 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(O)cc1 ZINC000426786659 1023047726 /nfs/dbraw/zinc/04/77/26/1023047726.db2.gz XDQBRLPIZZHWPX-CQSZACIVSA-N -1 1 326.179 3.615 20 0 EHADMM Cc1ccccc1[C@@H](CC(=O)[O-])NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000426787759 1023047817 /nfs/dbraw/zinc/04/78/17/1023047817.db2.gz HOGSBWHESOCVNJ-BLLLJJGKSA-N -1 1 344.480 3.882 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1F ZINC000426788113 1023047886 /nfs/dbraw/zinc/04/78/86/1023047886.db2.gz KKDISOQUJJRCIF-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM COc1c(Cl)cc(Cl)cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000426799415 1023056463 /nfs/dbraw/zinc/05/64/63/1023056463.db2.gz IFLBUIAVPDSSRY-CQSZACIVSA-N -1 1 340.206 3.918 20 0 EHADMM O=C([O-])C[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccc(F)cc1F ZINC000426824251 1023069080 /nfs/dbraw/zinc/06/90/80/1023069080.db2.gz HDBOBGITWVLWJG-QGZVFWFLSA-N -1 1 348.324 3.891 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1 ZINC000430978579 1023077057 /nfs/dbraw/zinc/07/70/57/1023077057.db2.gz KCKGHGOZCNSTLS-UHFFFAOYSA-N -1 1 342.420 3.823 20 0 EHADMM C[C@H]1CCc2nc(CN[C@H](CC(=O)[O-])c3ccccc3)sc2C1 ZINC000426833922 1023081605 /nfs/dbraw/zinc/08/16/05/1023081605.db2.gz MLKDGUPODIYMJL-SWLSCSKDSA-N -1 1 330.453 3.574 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cc(Cl)c1[O-] ZINC000424978535 1023276628 /nfs/dbraw/zinc/27/66/28/1023276628.db2.gz XADICTSGJCCNJY-MAUKXSAKSA-N -1 1 349.789 3.811 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC000843774384 1023285437 /nfs/dbraw/zinc/28/54/37/1023285437.db2.gz LLELGEXMGYCUQD-MRXNPFEDSA-N -1 1 339.439 3.837 20 0 EHADMM CCOc1c(Cl)cccc1CNCc1ccccc1CC(=O)[O-] ZINC000417551286 1024010967 /nfs/dbraw/zinc/01/09/67/1024010967.db2.gz ZAMMHFPRJTXAAH-UHFFFAOYSA-N -1 1 333.815 3.656 20 0 EHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000094125891 1024216651 /nfs/dbraw/zinc/21/66/51/1024216651.db2.gz JIJMXPQQUPIXKX-ZDUSSCGKSA-N -1 1 331.387 3.633 20 0 EHADMM CCC[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1nn[n-]n1 ZINC000434790348 1024430256 /nfs/dbraw/zinc/43/02/56/1024430256.db2.gz TWNZQFYYQMVKBO-MRXNPFEDSA-N -1 1 327.432 3.519 20 0 EHADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)[nH]n1 ZINC000434960641 1024519951 /nfs/dbraw/zinc/51/99/51/1024519951.db2.gz VUPWXCZHLSYJCI-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(F)c2C)[nH]n1 ZINC000434978737 1024537109 /nfs/dbraw/zinc/53/71/09/1024537109.db2.gz XHVVUDYMIUYNBV-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM CCCS(=O)(=O)[N-]c1cccc(-c2ccc(F)cc2Cl)n1 ZINC000427643606 1024641079 /nfs/dbraw/zinc/64/10/79/1024641079.db2.gz AYHXPCYTYWLTHT-UHFFFAOYSA-N -1 1 328.796 3.693 20 0 EHADMM CCOc1cc(C(=O)N2CC[C@H](C)C(F)(F)C2)cc(Cl)c1[O-] ZINC000427666050 1024713164 /nfs/dbraw/zinc/71/31/64/1024713164.db2.gz ZORIZCXUMPOKMS-VIFPVBQESA-N -1 1 333.762 3.562 20 0 EHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H](c1ccncc1)C1CCCC1 ZINC000897931100 1033230761 /nfs/dbraw/zinc/23/07/61/1033230761.db2.gz MNTFRTSKFNOOIQ-HNNXBMFYSA-N -1 1 332.350 3.978 20 0 EHADMM c1cc(-c2ccccc2)oc1CN=c1[n-]ncn1Cc1ccccc1 ZINC000548616799 1024760281 /nfs/dbraw/zinc/76/02/81/1024760281.db2.gz PYDULNQLDHMUTI-UHFFFAOYSA-N -1 1 330.391 3.620 20 0 EHADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000330323534 1024780403 /nfs/dbraw/zinc/78/04/03/1024780403.db2.gz SYIJBLWQBXTULD-KZNAEPCWSA-N -1 1 336.435 3.894 20 0 EHADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1sc(C)cc1C)C(F)(F)F ZINC000431573013 1033234964 /nfs/dbraw/zinc/23/49/64/1033234964.db2.gz ZMXWJVZXLQOFKH-XVKPBYJWSA-N -1 1 329.409 3.620 20 0 EHADMM CC[C@H](c1ccccc1)S(=O)(=O)c1nc(-c2ccc(C)cc2)n[n-]1 ZINC000514910107 1024883242 /nfs/dbraw/zinc/88/32/42/1024883242.db2.gz VBIQFFXSTBYMRE-MRXNPFEDSA-N -1 1 341.436 3.705 20 0 EHADMM CC[C@H](c1ccccc1)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000514910107 1024883255 /nfs/dbraw/zinc/88/32/55/1024883255.db2.gz VBIQFFXSTBYMRE-MRXNPFEDSA-N -1 1 341.436 3.705 20 0 EHADMM CC(C)CCC[C@H](C)NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000515018466 1024972581 /nfs/dbraw/zinc/97/25/81/1024972581.db2.gz HYWHMCGAHAKIJN-JTQLQIEISA-N -1 1 347.431 3.543 20 0 EHADMM CCC[C@@H](NC(=O)CSc1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000346742322 1025078199 /nfs/dbraw/zinc/07/81/99/1025078199.db2.gz GFHJXIZKEWCSRM-OAHLLOKOSA-N -1 1 345.468 3.549 20 0 EHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000436183316 1025453805 /nfs/dbraw/zinc/45/38/05/1025453805.db2.gz VXDPUMZIGMBLCL-UHFFFAOYSA-N -1 1 343.433 3.887 20 0 EHADMM Cc1cc(C)cc(NC(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000436241495 1025489169 /nfs/dbraw/zinc/48/91/69/1025489169.db2.gz LXJLMEMYXHZSQJ-GFCCVEGCSA-N -1 1 343.452 3.796 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@H]1CCCC[C@@H]1C ZINC000474811173 1025491324 /nfs/dbraw/zinc/49/13/24/1025491324.db2.gz NHQHUHHOBKNIDC-GXTWGEPZSA-N -1 1 333.476 3.734 20 0 EHADMM COc1cc(C)c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1F ZINC000442825910 1025502125 /nfs/dbraw/zinc/50/21/25/1025502125.db2.gz WKQJWCRPXLYAAC-UHFFFAOYSA-N -1 1 339.750 3.763 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cn1 ZINC000515697792 1025502879 /nfs/dbraw/zinc/50/28/79/1025502879.db2.gz YQEWRLNOCOFOKW-UHFFFAOYSA-N -1 1 334.441 3.793 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)cc1 ZINC000451086490 1025526457 /nfs/dbraw/zinc/52/64/57/1025526457.db2.gz VJVGCPWXTNNNDT-UHFFFAOYSA-N -1 1 331.437 3.513 20 0 EHADMM CSc1ccc([O-])c(-c2nc([C@H](C)OCC(F)(F)F)no2)c1 ZINC000896617244 1025742628 /nfs/dbraw/zinc/74/26/28/1025742628.db2.gz WXJYEJFXAVTOSO-ZETCQYMHSA-N -1 1 334.319 3.804 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000436509618 1025803462 /nfs/dbraw/zinc/80/34/62/1025803462.db2.gz RUFMGIWIKMMBEW-UHFFFAOYSA-N -1 1 337.734 3.532 20 0 EHADMM C[C@@H]1C[C@H]1[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000436518482 1025849564 /nfs/dbraw/zinc/84/95/64/1025849564.db2.gz YNDWJHNPDISZJR-SSKCKEOISA-N -1 1 343.810 3.742 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c([O-])c1 ZINC000436575914 1025877277 /nfs/dbraw/zinc/87/72/77/1025877277.db2.gz PEMOLTIWDIOJQG-UHFFFAOYSA-N -1 1 327.380 3.882 20 0 EHADMM Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436560317 1025884071 /nfs/dbraw/zinc/88/40/71/1025884071.db2.gz AYWJKYQPRSFJEY-UHFFFAOYSA-N -1 1 348.402 3.808 20 0 EHADMM CCc1c(NC(=O)c2cc(F)ccc2[O-])cnn1-c1ccccc1C ZINC000436594148 1025911345 /nfs/dbraw/zinc/91/13/45/1025911345.db2.gz HWGBNYLICZZVFM-UHFFFAOYSA-N -1 1 339.370 3.840 20 0 EHADMM COc1ccc(C[C@@H]2CCCN(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000436589716 1025929531 /nfs/dbraw/zinc/92/95/31/1025929531.db2.gz LEFOYDTULDYPOI-HNNXBMFYSA-N -1 1 343.398 3.635 20 0 EHADMM CCOc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1OCC ZINC000436605286 1025937883 /nfs/dbraw/zinc/93/78/83/1025937883.db2.gz LCPVBRLUCNPMAQ-LBPRGKRZSA-N -1 1 347.386 3.820 20 0 EHADMM COc1ccc(C(=O)Nc2cc(Cc3ccccn3)ccc2C)c([O-])c1 ZINC000436638093 1025967401 /nfs/dbraw/zinc/96/74/01/1025967401.db2.gz ZKGSDOXBXFIFGV-UHFFFAOYSA-N -1 1 348.402 3.947 20 0 EHADMM Cc1ncn(-c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2)c1C ZINC000436642130 1025990893 /nfs/dbraw/zinc/99/08/93/1025990893.db2.gz QOGGDNGYBXCSDG-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1sccc1Cl ZINC000451503919 1026020671 /nfs/dbraw/zinc/02/06/71/1026020671.db2.gz RYCWQBRMQFCQIK-QMMMGPOBSA-N -1 1 329.821 3.505 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000436662097 1026022845 /nfs/dbraw/zinc/02/28/45/1026022845.db2.gz FGPWTPCSSDMKSB-KRWDZBQOSA-N -1 1 337.753 3.896 20 0 EHADMM Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436710105 1026051641 /nfs/dbraw/zinc/05/16/41/1026051641.db2.gz YVHXXYUUFFYSIQ-UHFFFAOYSA-N -1 1 338.388 3.646 20 0 EHADMM C[C@H]1CC(CCNC(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000436695702 1026056638 /nfs/dbraw/zinc/05/66/38/1026056638.db2.gz FKSNCDCSNLCUPE-KBPBESRZSA-N -1 1 327.424 3.869 20 0 EHADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(Cl)c1Cl ZINC000436700250 1026062046 /nfs/dbraw/zinc/06/20/46/1026062046.db2.gz UHMDUNNIZQDPPL-SECBINFHSA-N -1 1 338.190 3.759 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N(CCO)CC1CCCCC1 ZINC000436707209 1026073609 /nfs/dbraw/zinc/07/36/09/1026073609.db2.gz OLRBNIHIGQFFRI-UHFFFAOYSA-N -1 1 327.424 3.560 20 0 EHADMM O=C(Nc1cccc(-n2cccn2)c1)c1cc2ccccc2cc1[O-] ZINC000436718976 1026086674 /nfs/dbraw/zinc/08/66/74/1026086674.db2.gz YIKJHSFCLZUMAD-UHFFFAOYSA-N -1 1 329.359 3.983 20 0 EHADMM Cc1oc(CN2CCC(OCCc3ccccc3)CC2)cc1C(=O)[O-] ZINC000516188150 1026120102 /nfs/dbraw/zinc/12/01/02/1026120102.db2.gz VNBBJYDGZCQBHR-UHFFFAOYSA-N -1 1 343.423 3.510 20 0 EHADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436747587 1026135600 /nfs/dbraw/zinc/13/56/00/1026135600.db2.gz 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O=S(=O)([N-]c1c(O)cccc1Cl)c1ccc(F)cc1Cl ZINC000647919648 1029280908 /nfs/dbraw/zinc/28/09/08/1029280908.db2.gz JDXOFQWUBMPROB-UHFFFAOYSA-N -1 1 336.171 3.639 20 0 EHADMM O=C(CCc1ccsc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078494019 1029354394 /nfs/dbraw/zinc/35/43/94/1029354394.db2.gz WMFGEVRIZKYXKV-UHFFFAOYSA-N -1 1 343.448 3.508 20 0 EHADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000272512395 1029490405 /nfs/dbraw/zinc/49/04/05/1029490405.db2.gz WDQXSKGSJGXZRT-UHFFFAOYSA-N -1 1 343.399 3.754 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2ccc(F)cc2Br)n1 ZINC000428701675 1029960794 /nfs/dbraw/zinc/96/07/94/1029960794.db2.gz SGVMMQTVJILWCS-UHFFFAOYSA-N -1 1 343.221 3.939 20 0 EHADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000447261300 1030051105 /nfs/dbraw/zinc/05/11/05/1030051105.db2.gz VOKKAJWXBDWPJI-UHFFFAOYSA-N -1 1 338.237 3.864 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CC1CCCCC1 ZINC000447313136 1030087895 /nfs/dbraw/zinc/08/78/95/1030087895.db2.gz ADBUPSJIHPRVOK-LBPRGKRZSA-N -1 1 333.476 3.877 20 0 EHADMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C2CC2)n1 ZINC000583567629 1030157840 /nfs/dbraw/zinc/15/78/40/1030157840.db2.gz FXHFQSOQZKTZSZ-ZDUSSCGKSA-N -1 1 348.472 3.670 20 0 EHADMM O=C(CCc1ccccc1Br)Nc1ccc(F)cc1[O-] ZINC000532012341 1030273095 /nfs/dbraw/zinc/27/30/95/1030273095.db2.gz MBDZZPKNHDWUIT-UHFFFAOYSA-N -1 1 338.176 3.865 20 0 EHADMM CCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2[O-])cc1OC ZINC000532267112 1030514420 /nfs/dbraw/zinc/51/44/20/1030514420.db2.gz CTXQOUFUPLGINY-UHFFFAOYSA-N -1 1 339.750 3.844 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)[C@@H]1c1ccccc1 ZINC000123129539 1030929756 /nfs/dbraw/zinc/92/97/56/1030929756.db2.gz PARYIXCJBBFKEC-ZBEGNZNMSA-N -1 1 346.224 3.988 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)[C@H]1c1ccccc1 ZINC000123129668 1030930158 /nfs/dbraw/zinc/93/01/58/1030930158.db2.gz PARYIXCJBBFKEC-BDJLRTHQSA-N -1 1 346.224 3.988 20 0 EHADMM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000483234128 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CC(=O)c1[n-]c(=N[C@H](C)c2ccccc2OC(F)F)sc1C ZINC000450246776 1033986323 /nfs/dbraw/zinc/98/63/23/1033986323.db2.gz LSHYUSIBHGPFLO-MRVPVSSYSA-N -1 1 326.368 3.851 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CC12CCOCC2 ZINC000529540238 1034143103 /nfs/dbraw/zinc/14/31/03/1034143103.db2.gz VYKVYYJORSNFPV-CYBMUJFWSA-N -1 1 331.799 3.954 20 0 EHADMM O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000604600741 1034443369 /nfs/dbraw/zinc/44/33/69/1034443369.db2.gz CQPGWIDLNZICIX-HNNXBMFYSA-N -1 1 333.391 3.841 20 0 EHADMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601366350 1034470514 /nfs/dbraw/zinc/47/05/14/1034470514.db2.gz HWHQUWUBCOKYEZ-GXSJLCMTSA-N -1 1 339.429 3.560 20 0 EHADMM CCS[C@H]1CCCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597214714 1034597054 /nfs/dbraw/zinc/59/70/54/1034597054.db2.gz SBMKSENDOJSWSK-AWEZNQCLSA-N -1 1 330.453 3.688 20 0 EHADMM CC(C)Cn1ncc(C(=O)Nc2ccc([O-])c(F)c2F)c1C1CC1 ZINC000456776745 1034722912 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CCC[C@@H]1C[C@H](C(=O)Nc2cccc([O-])c2Br)CCO1 ZINC000908710473 1040604979 /nfs/dbraw/zinc/60/49/79/1040604979.db2.gz RFLGMQVQZCXOBN-GHMZBOCLSA-N -1 1 342.233 3.689 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc2n[nH]cc21 ZINC000780396575 1041027441 /nfs/dbraw/zinc/02/74/41/1041027441.db2.gz ANNXCJCDUAWGPF-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000899751473 1041071403 /nfs/dbraw/zinc/07/14/03/1041071403.db2.gz OJVDJJSOGJDMCU-OAHLLOKOSA-N -1 1 335.419 3.611 20 0 EHADMM Cc1c(C(=O)Nc2cc([O-])c(F)cc2F)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000909976141 1041086642 /nfs/dbraw/zinc/08/66/42/1041086642.db2.gz YMBDQNXOYIADES-UHFFFAOYSA-N -1 1 348.349 3.714 20 0 EHADMM Cc1nc(C2CCC2)sc1CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909973044 1041086900 /nfs/dbraw/zinc/08/69/00/1041086900.db2.gz UAOCLQPRTRJVGH-UHFFFAOYSA-N -1 1 338.379 3.884 20 0 EHADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)CCC2 ZINC000909988669 1041124179 /nfs/dbraw/zinc/12/41/79/1041124179.db2.gz VEQKPYBVYROYLU-LBPRGKRZSA-N -1 1 333.334 3.738 20 0 EHADMM Cc1ccccc1OCCN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000576166083 1041189784 /nfs/dbraw/zinc/18/97/84/1041189784.db2.gz CVDKMNYNZXTQBO-UHFFFAOYSA-N -1 1 333.815 3.857 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c([O-])c1 ZINC000055356475 1041229141 /nfs/dbraw/zinc/22/91/41/1041229141.db2.gz XPCHPNBJGNBQIU-UHFFFAOYSA-N -1 1 326.396 3.643 20 0 EHADMM C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000162737697 1041284295 /nfs/dbraw/zinc/28/42/95/1041284295.db2.gz IGMYPNZRIWLCBB-SJKOYZFVSA-N -1 1 341.432 3.849 20 0 EHADMM C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000162732025 1041287109 /nfs/dbraw/zinc/28/71/09/1041287109.db2.gz VEJZXAFVUGXADV-LRDDRELGSA-N -1 1 341.432 3.849 20 0 EHADMM C[C@@H]1CCCN(Cc2cc(Cl)ccc2Br)[C@H]1C(=O)[O-] ZINC000311402447 1041397696 /nfs/dbraw/zinc/39/76/96/1041397696.db2.gz ADOYQRKVNAGNKO-NOZJJQNGSA-N -1 1 346.652 3.788 20 0 EHADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000511699010 1041476996 /nfs/dbraw/zinc/47/69/96/1041476996.db2.gz DVPMLJSCUFVJNZ-LLVKDONJSA-N -1 1 341.379 3.943 20 0 EHADMM CC(C)([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)C(F)F ZINC000651682215 1041906296 /nfs/dbraw/zinc/90/62/96/1041906296.db2.gz QFTUYGKSAGJYHU-UHFFFAOYSA-N -1 1 338.228 3.518 20 0 EHADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1Cl)C(F)(F)F ZINC001211677950 1042420221 /nfs/dbraw/zinc/42/02/21/1042420221.db2.gz WBPDSDTWZMJBMD-BXKDBHETSA-N -1 1 343.798 3.904 20 0 EHADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])Cc1ccccc1 ZINC000785312831 1042470610 /nfs/dbraw/zinc/47/06/10/1042470610.db2.gz FTMNEYYMWGMKGR-UHFFFAOYSA-N -1 1 339.174 3.668 20 0 EHADMM CC(C)(C)c1cccc(OCC[N@@H+](CC(=O)[O-])Cc2ccccc2)c1 ZINC000652455915 1042488480 /nfs/dbraw/zinc/48/84/80/1042488480.db2.gz JVOMXFJWDSOCRG-UHFFFAOYSA-N -1 1 341.451 3.950 20 0 EHADMM CC(C)(C)c1cccc(OCCN(CC(=O)[O-])Cc2ccccc2)c1 ZINC000652455915 1042488484 /nfs/dbraw/zinc/48/84/84/1042488484.db2.gz JVOMXFJWDSOCRG-UHFFFAOYSA-N -1 1 341.451 3.950 20 0 EHADMM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000186668620 1042683379 /nfs/dbraw/zinc/68/33/79/1042683379.db2.gz ZMKNUGMUBWOJNX-LBPRGKRZSA-N -1 1 341.386 3.953 20 0 EHADMM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1cc(-c2ccccc2)no1 ZINC000344288048 1043599535 /nfs/dbraw/zinc/59/95/35/1043599535.db2.gz RCLAFTXBXOLQBU-UHFFFAOYSA-N -1 1 349.325 3.518 20 0 EHADMM Cc1c2ccccc2oc1C(=O)[N-]NC(=S)Nc1cccc(C)c1 ZINC000006631734 1043718025 /nfs/dbraw/zinc/71/80/25/1043718025.db2.gz YWWXQEAKNXYMES-UHFFFAOYSA-N -1 1 339.420 3.681 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000058190501 1043913881 /nfs/dbraw/zinc/91/38/81/1043913881.db2.gz DYWVCMGROAIAIU-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM O=C(c1ccc(O)cc1[O-])N1CCc2cc(-c3ccccc3)ccc21 ZINC000154854139 1125760937 /nfs/dbraw/zinc/76/09/37/1125760937.db2.gz AOQZSRPZWKBCLH-UHFFFAOYSA-N -1 1 331.371 3.968 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1[nH]c2ccccc2c1Cl ZINC000623479612 1126964154 /nfs/dbraw/zinc/96/41/54/1126964154.db2.gz ADOACVLAWIMXNS-UHFFFAOYSA-N -1 1 342.811 3.947 20 0 EHADMM CCC(C)(C)CC(=O)N1CCC[C@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000073093121 1127006038 /nfs/dbraw/zinc/00/60/38/1127006038.db2.gz WPMCCBYRDFIXMR-LBPRGKRZSA-N -1 1 336.505 3.808 20 0 EHADMM CC(C)n1ncc2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)cnc21 ZINC000350823271 1127105690 /nfs/dbraw/zinc/10/56/90/1127105690.db2.gz KZIMKTDZFPMJGQ-UHFFFAOYSA-N -1 1 339.330 3.574 20 0 EHADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(C)c3Cl)ccc12 ZINC000180009384 1127109460 /nfs/dbraw/zinc/10/94/60/1127109460.db2.gz PZRJWQORUAKSQD-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(F)c(F)c1 ZINC000182021235 1127308999 /nfs/dbraw/zinc/30/89/99/1127308999.db2.gz ARCSWIZSWFTQHN-UHFFFAOYSA-N -1 1 331.240 3.966 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2COc3ccccc32)c1 ZINC000182913370 1127354487 /nfs/dbraw/zinc/35/44/87/1127354487.db2.gz MISNZLHDOHSDRJ-LLVKDONJSA-N -1 1 348.196 3.578 20 0 EHADMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1c([O-])cccc1Cl ZINC000764342698 1127483211 /nfs/dbraw/zinc/48/32/11/1127483211.db2.gz PRTOYCRXSFQQTR-UHFFFAOYSA-N -1 1 341.798 3.708 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)/C=C/c2ccccc2)c1 ZINC001142869873 1127575903 /nfs/dbraw/zinc/57/59/03/1127575903.db2.gz WSCKRCIHJSRGMI-BQYQJAHWSA-N -1 1 348.196 3.815 20 0 EHADMM CC(C)Oc1cccc(CNC(=O)c2ncc3ccccc3c2[O-])c1 ZINC001626033915 1127673505 /nfs/dbraw/zinc/67/35/05/1127673505.db2.gz BIJIFCVVPZNFRJ-UHFFFAOYSA-N -1 1 336.391 3.658 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1F ZINC000063849284 1128158858 /nfs/dbraw/zinc/15/88/58/1128158858.db2.gz FMSGRQQYMKEGGT-UHFFFAOYSA-N -1 1 337.416 3.860 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)s1 ZINC000542755077 1128575747 /nfs/dbraw/zinc/57/57/47/1128575747.db2.gz HHIGDMINRWSJJR-JTQLQIEISA-N -1 1 329.409 3.566 20 0 EHADMM O=C([N-][C@H]1COc2c1cccc2Cl)C(F)(F)c1ccccc1F ZINC000765860519 1128624004 /nfs/dbraw/zinc/62/40/04/1128624004.db2.gz PQHDJMHGHZPNJG-ZDUSSCGKSA-N -1 1 341.716 3.821 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000672116756 1128767191 /nfs/dbraw/zinc/76/71/91/1128767191.db2.gz VDPWEACCBUQNAP-ZDUSSCGKSA-N -1 1 339.317 3.502 20 0 EHADMM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1cc(Cl)cc(Cl)c1 ZINC000007050490 1128845495 /nfs/dbraw/zinc/84/54/95/1128845495.db2.gz VWAUVQKOOKOJKJ-UHFFFAOYSA-N -1 1 342.207 3.671 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1coc(-c2c(F)cccc2F)n1 ZINC001648850788 1120054442 /nfs/dbraw/zinc/05/44/42/1120054442.db2.gz MMNMFRDLQVBKBK-UHFFFAOYSA-N -1 1 334.253 3.717 20 0 EHADMM CC(C)COc1ncc(C(=O)Nc2cccc(F)c2[O-])cc1Cl ZINC001648851200 1120054734 /nfs/dbraw/zinc/05/47/34/1120054734.db2.gz YLJASIHHNPJZHE-UHFFFAOYSA-N -1 1 338.766 3.867 20 0 EHADMM O=C([N-]c1c(F)cccc1F)c1cc(COc2ccccc2F)on1 ZINC000184879757 1120391751 /nfs/dbraw/zinc/39/17/51/1120391751.db2.gz WHSWFLIAXCOJKI-UHFFFAOYSA-N -1 1 348.280 3.923 20 0 EHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000188952188 1120519025 /nfs/dbraw/zinc/51/90/25/1120519025.db2.gz OUVOAXQXFICRJE-UHFFFAOYSA-N -1 1 327.409 3.554 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000191888206 1120701982 /nfs/dbraw/zinc/70/19/82/1120701982.db2.gz OHNRAHUHKWRIMG-UHFFFAOYSA-N -1 1 341.432 3.830 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)c1 ZINC000074985877 1120747138 /nfs/dbraw/zinc/74/71/38/1120747138.db2.gz CXIIUZLTFPGVEI-UHFFFAOYSA-N -1 1 341.436 3.560 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(-c2nc(CC3CC3)no2)c([O-])c1 ZINC000495270153 1121027599 /nfs/dbraw/zinc/02/75/99/1121027599.db2.gz JZGCUWIRVYUAIP-UHFFFAOYSA-N -1 1 331.372 3.742 20 0 EHADMM CCOC(=O)CCCCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000917378966 1122589578 /nfs/dbraw/zinc/58/95/78/1122589578.db2.gz DLDUMZXTBFOCRG-UHFFFAOYSA-N -1 1 343.423 3.789 20 0 EHADMM CC(F)(F)CCCS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000917873591 1122701359 /nfs/dbraw/zinc/70/13/59/1122701359.db2.gz QHOAVZRXNNYTKF-LLVKDONJSA-N -1 1 333.391 3.555 20 0 EHADMM O=C(Nc1ccc(-c2nnco2)cc1)c1ccc2ccccc2c1[O-] ZINC000129185364 1122752262 /nfs/dbraw/zinc/75/22/62/1122752262.db2.gz CZWSTSZBZBPTGO-UHFFFAOYSA-N -1 1 331.331 3.848 20 0 EHADMM Cc1csc2nc(-c3cc(F)ccc3Br)[n-]c(=O)c12 ZINC000069630341 1122803731 /nfs/dbraw/zinc/80/37/31/1122803731.db2.gz RGEJCVMQRAJZEQ-UHFFFAOYSA-N -1 1 339.189 3.862 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1ccccc1 ZINC000919561068 1123087219 /nfs/dbraw/zinc/08/72/19/1123087219.db2.gz SSOQQOGUKJWIGK-CQSZACIVSA-N -1 1 347.436 3.756 20 0 EHADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1cccc(Cl)c1 ZINC000132781494 1123300347 /nfs/dbraw/zinc/30/03/47/1123300347.db2.gz OLWTZBFIEPJENM-UHFFFAOYSA-N -1 1 334.784 3.796 20 0 EHADMM Cc1cccc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)c1C ZINC000920426856 1123368414 /nfs/dbraw/zinc/36/84/14/1123368414.db2.gz BJGWSQUMBVVPMC-UHFFFAOYSA-N -1 1 344.842 3.625 20 0 EHADMM O=C(NCc1ccccc1Br)c1c([O-])cccc1Cl ZINC000920445232 1123369498 /nfs/dbraw/zinc/36/94/98/1123369498.db2.gz TYRGYIXRNOOADR-UHFFFAOYSA-N -1 1 340.604 3.738 20 0 EHADMM CC(C)Oc1ccc(CCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920446021 1123370213 /nfs/dbraw/zinc/37/02/13/1123370213.db2.gz IWYPEIZUALULKS-UHFFFAOYSA-N -1 1 333.815 3.805 20 0 EHADMM Cc1ccc(N2CCCN(C(=O)c3c([O-])cccc3Cl)CC2)cc1 ZINC000920457488 1123371941 /nfs/dbraw/zinc/37/19/41/1123371941.db2.gz GQLGAXVKJDTHBB-UHFFFAOYSA-N -1 1 344.842 3.707 20 0 EHADMM O=C(Nc1ccncc1[O-])c1cc(-c2ccccn2)ccc1Cl ZINC000133640035 1123411497 /nfs/dbraw/zinc/41/14/97/1123411497.db2.gz RYWWCLZDOZPJAO-UHFFFAOYSA-N -1 1 325.755 3.755 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCCC2(C)C)c1 ZINC000174954753 1123561168 /nfs/dbraw/zinc/56/11/68/1123561168.db2.gz UHDZPYIVACQRBW-CQSZACIVSA-N -1 1 344.484 3.611 20 0 EHADMM COc1cc(F)c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1F ZINC000135175241 1123589146 /nfs/dbraw/zinc/58/91/46/1123589146.db2.gz QHMMCYZDCZSIRM-UHFFFAOYSA-N -1 1 343.713 3.593 20 0 EHADMM CCOC(=O)Cc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000609609001 1123622911 /nfs/dbraw/zinc/62/29/11/1123622911.db2.gz CBUTYEJVJQKPJE-UHFFFAOYSA-N -1 1 349.386 3.903 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000135512889 1123624636 /nfs/dbraw/zinc/62/46/36/1123624636.db2.gz VMIJVESSHAVPIS-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c1 ZINC000135959059 1123655606 /nfs/dbraw/zinc/65/56/06/1123655606.db2.gz VFXXGIBGNUPINV-UHFFFAOYSA-N -1 1 343.408 3.661 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)sc1Cl ZINC000499644768 1129143071 /nfs/dbraw/zinc/14/30/71/1129143071.db2.gz GFMMYKWZWUUHAC-VIFPVBQESA-N -1 1 343.848 3.814 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc(Cl)ccc1Cl ZINC000180273038 1123975032 /nfs/dbraw/zinc/97/50/32/1123975032.db2.gz XZUPTSDFAAZHPT-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc(C)c1F ZINC000180277715 1123975403 /nfs/dbraw/zinc/97/54/03/1123975403.db2.gz GUGRAPUGWRBXJZ-UHFFFAOYSA-N -1 1 349.214 3.945 20 0 EHADMM CC(C)COc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001212288394 1124060553 /nfs/dbraw/zinc/06/05/53/1124060553.db2.gz VRWIJZLMNOHOAH-UHFFFAOYSA-N -1 1 335.425 3.574 20 0 EHADMM O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1csc(Nc3ccccc3)n1)C2 ZINC000263573469 1124611331 /nfs/dbraw/zinc/61/13/31/1124611331.db2.gz MJVZOTRRKDKFDH-SCLBCKFNSA-N -1 1 343.452 3.573 20 0 EHADMM COc1cccc([C@]2(C)CCN(C(=O)c3ccc(Cl)cc3[O-])C2)c1 ZINC000618740789 1125178771 /nfs/dbraw/zinc/17/87/71/1125178771.db2.gz KBRIRXCOWBUAQO-LJQANCHMSA-N -1 1 345.826 3.858 20 0 EHADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582508 1125367782 /nfs/dbraw/zinc/36/77/82/1125367782.db2.gz WKHAVBFZWBOPLE-WCQYABFASA-N -1 1 333.375 3.815 20 0 EHADMM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000619582591 1125368149 /nfs/dbraw/zinc/36/81/49/1125368149.db2.gz PCLCDAMFYHMHAY-MNOVXSKESA-N -1 1 333.375 3.815 20 0 EHADMM C[C@H]1COC2(CCCC2)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000619929834 1125430099 /nfs/dbraw/zinc/43/00/99/1125430099.db2.gz IZHSFCURIGSTQR-AWEZNQCLSA-N -1 1 325.408 3.719 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000078657611 1129568663 /nfs/dbraw/zinc/56/86/63/1129568663.db2.gz MBYAJZQKEPILGP-UHFFFAOYSA-N -1 1 331.362 3.765 20 0 EHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(SC)c2)[nH]n1 ZINC000509076122 1129725559 /nfs/dbraw/zinc/72/55/59/1129725559.db2.gz XFSZOHPVMAQVPF-NSHDSACASA-N -1 1 339.486 3.836 20 0 EHADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000509096806 1129744874 /nfs/dbraw/zinc/74/48/74/1129744874.db2.gz GYMNJNWZWNAIPM-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CC(OCc2ccccc2)C1 ZINC000673855382 1129885055 /nfs/dbraw/zinc/88/50/55/1129885055.db2.gz PUPPFONFQWMYGT-UHFFFAOYSA-N -1 1 331.799 3.980 20 0 EHADMM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000171865772 1130094630 /nfs/dbraw/zinc/09/46/30/1130094630.db2.gz QHRDZMBVAHMNKA-NSHDSACASA-N -1 1 339.420 3.710 20 0 EHADMM COc1c(C)ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1C ZINC000172810382 1130162215 /nfs/dbraw/zinc/16/22/15/1130162215.db2.gz NZTYGMLVZKSPQE-UHFFFAOYSA-N -1 1 345.342 3.530 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(COC)cc2)c1CC ZINC000486083727 1130437799 /nfs/dbraw/zinc/43/77/99/1130437799.db2.gz AMRMKZGXXJTORD-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM CC(C)C(NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000676298357 1130558472 /nfs/dbraw/zinc/55/84/72/1130558472.db2.gz KSPFNHKBHVOXDK-UHFFFAOYSA-N -1 1 346.471 3.677 20 0 EHADMM CCCCC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000728066883 1130619047 /nfs/dbraw/zinc/61/90/47/1130619047.db2.gz YMZPOGWWWRODHW-KRWDZBQOSA-N -1 1 349.434 3.975 20 0 EHADMM Cc1ccc(NC(=O)c2nnc3ccccc3c2O)cc1C(F)(F)F ZINC000731893401 1130855170 /nfs/dbraw/zinc/85/51/70/1130855170.db2.gz JKGUUNICYMCACO-UHFFFAOYSA-N -1 1 347.296 3.915 20 0 EHADMM CC(C)Cn1ncc(C(=O)Nc2cc([O-])c(F)cc2F)c1C(F)F ZINC000821529009 1130942240 /nfs/dbraw/zinc/94/22/40/1130942240.db2.gz YKYKIBDDPSOWPM-UHFFFAOYSA-N -1 1 345.296 3.713 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000144646637 1131169237 /nfs/dbraw/zinc/16/92/37/1131169237.db2.gz FZUWMEXDSYRTLM-GOSISDBHSA-N -1 1 345.826 3.631 20 0 EHADMM CCCOc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1 ZINC001212689496 1131899315 /nfs/dbraw/zinc/89/93/15/1131899315.db2.gz HMVHACUXNPOODI-UHFFFAOYSA-N -1 1 338.289 3.934 20 0 EHADMM CCCOc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1 ZINC001212689496 1131899320 /nfs/dbraw/zinc/89/93/20/1131899320.db2.gz HMVHACUXNPOODI-UHFFFAOYSA-N -1 1 338.289 3.934 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000743814675 1131979963 /nfs/dbraw/zinc/97/99/63/1131979963.db2.gz ACUXXSOVBZKTFI-GFCCVEGCSA-N -1 1 341.798 3.722 20 0 EHADMM CCc1cc(Br)ccc1-c1noc(-c2ccncc2[O-])n1 ZINC001212722385 1132046047 /nfs/dbraw/zinc/04/60/47/1132046047.db2.gz DDWRIHFNNFSXPK-UHFFFAOYSA-N -1 1 346.184 3.829 20 0 EHADMM C/C=C/C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC001150179268 1132068234 /nfs/dbraw/zinc/06/82/34/1132068234.db2.gz SLMZPFJSQOJBET-QAVQXKDTSA-N -1 1 338.245 3.973 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000744490622 1132105302 /nfs/dbraw/zinc/10/53/02/1132105302.db2.gz XUOJBNURLSEINZ-UHFFFAOYSA-N -1 1 342.435 3.897 20 0 EHADMM [O-]c1c(Br)c(F)ccc1Nc1cc(F)cc(CO)c1 ZINC001212749684 1132118355 /nfs/dbraw/zinc/11/83/55/1132118355.db2.gz RZKOCUGTJSATBJ-UHFFFAOYSA-N -1 1 330.128 3.669 20 0 EHADMM COc1cncc(Nc2cc(Br)cc(Cl)c2[O-])c1 ZINC001174091841 1132224918 /nfs/dbraw/zinc/22/49/18/1132224918.db2.gz IJEQAMOHZZQCLE-UHFFFAOYSA-N -1 1 329.581 3.955 20 0 EHADMM CC(C)(C)OC(=O)N1CC=C(Nc2cc([O-])c(F)c(F)c2)CC1 ZINC001174441185 1132359610 /nfs/dbraw/zinc/35/96/10/1132359610.db2.gz XVFQTDLDBTZHPT-UHFFFAOYSA-N -1 1 326.343 3.607 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cc(F)ccc2C(F)(F)F)c1 ZINC001174486132 1132370403 /nfs/dbraw/zinc/37/04/03/1132370403.db2.gz 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1132854542 /nfs/dbraw/zinc/85/45/42/1132854542.db2.gz OCUZLXHNDUBZHZ-DNVCBOLYSA-N -1 1 348.439 3.666 20 0 EHADMM CN(C)C(=O)c1cc(Nc2cc([O-])c(F)c(F)c2)ccc1Cl ZINC001176153264 1132864896 /nfs/dbraw/zinc/86/48/96/1132864896.db2.gz KDWTWYDJQKUDGB-UHFFFAOYSA-N -1 1 326.730 3.769 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(F)ccc(C)c2F)c1 ZINC000766974151 1132924941 /nfs/dbraw/zinc/92/49/41/1132924941.db2.gz GNEFCEOLDAEJDS-UHFFFAOYSA-N -1 1 334.318 3.581 20 0 EHADMM CCN(CC)C(=O)c1cc([N-]c2nnc(-c3ccco3)o2)ccc1F ZINC001176513552 1132954403 /nfs/dbraw/zinc/95/44/03/1132954403.db2.gz HIWYDHYICANCLJ-UHFFFAOYSA-N -1 1 344.346 3.694 20 0 EHADMM COC(=O)c1ccc(Cl)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670117 1132979022 /nfs/dbraw/zinc/97/90/22/1132979022.db2.gz RYULHRVCEPXIBY-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM CCOC(=O)c1c(Nc2c(F)cc(F)c([O-])c2F)ccn1CC ZINC001176664264 1132979097 /nfs/dbraw/zinc/97/90/97/1132979097.db2.gz RRCWRMSPAUJPCF-UHFFFAOYSA-N -1 1 328.290 3.551 20 0 EHADMM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc([O-])c(F)c1 ZINC000767296250 1132979125 /nfs/dbraw/zinc/97/91/25/1132979125.db2.gz QQDWGCYAIMXFTF-UHFFFAOYSA-N -1 1 336.313 3.662 20 0 EHADMM CN1CCN(c2ccc(Nc3ccc(Cl)cc3[S-])cn2)CC1 ZINC001176660105 1132986364 /nfs/dbraw/zinc/98/63/64/1132986364.db2.gz KTMNQPKBKXPRQL-UHFFFAOYSA-N -1 1 334.876 3.519 20 0 EHADMM O=c1ccn(-c2ccc(Nc3ccnn3Cc3ccccc3)cc2)[n-]1 ZINC001176708230 1132994826 /nfs/dbraw/zinc/99/48/26/1132994826.db2.gz UFVTYGRWLPOQJX-UHFFFAOYSA-N -1 1 331.379 3.566 20 0 EHADMM Cc1c(C(=O)NCc2ccc([O-])c(Cl)c2)cnc2ccccc12 ZINC001176987961 1133018422 /nfs/dbraw/zinc/01/84/22/1133018422.db2.gz FMQGDMBPBVNZPJ-UHFFFAOYSA-N -1 1 326.783 3.832 20 0 EHADMM CC(C)CCN(CCC(C)C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773771066 1133198977 /nfs/dbraw/zinc/19/89/77/1133198977.db2.gz DAHUCGVZNFMELE-UHFFFAOYSA-N -1 1 334.489 3.552 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H](Nc2ccccc2)C1 ZINC000769249904 1133251065 /nfs/dbraw/zinc/25/10/65/1133251065.db2.gz GCOTYHCPRWSVSN-AWEZNQCLSA-N -1 1 330.815 3.762 20 0 EHADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1c([O-])cccc1Cl)CCC2 ZINC000769822492 1133344634 /nfs/dbraw/zinc/34/46/34/1133344634.db2.gz IFQQFTILLICAMS-LBPRGKRZSA-N -1 1 336.844 3.960 20 0 EHADMM C[C@H]1CCC[C@H]1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769780869 1133345154 /nfs/dbraw/zinc/34/51/54/1133345154.db2.gz YMKOTDQZADCFEK-SMDDNHRTSA-N -1 1 334.416 3.658 20 0 EHADMM CCC1CCC(N(C(=O)c2ccc3n[n-]c(=S)n3c2)C2CC2)CC1 ZINC000773847331 1133353573 /nfs/dbraw/zinc/35/35/73/1133353573.db2.gz JCLGHRHPFZMTKT-UHFFFAOYSA-N -1 1 344.484 3.591 20 0 EHADMM COC(=O)Nc1ccc(NCc2ccc([O-])c(F)c2F)cc1F ZINC001180322540 1133361434 /nfs/dbraw/zinc/36/14/34/1133361434.db2.gz INYRKHDXQNFYTF-UHFFFAOYSA-N -1 1 326.274 3.600 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000770039239 1133380723 /nfs/dbraw/zinc/38/07/23/1133380723.db2.gz RMDUPLAMEDTGLP-KPZWWZAWSA-N -1 1 339.366 3.536 20 0 EHADMM [O-]c1ccc(-c2nc(-c3c(Cl)nc4ccccn43)no2)c(F)c1 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Cc1cc(Br)cc(C)c1NC(=O)Nc1ncccc1[O-] ZINC001184849307 1133992424 /nfs/dbraw/zinc/99/24/24/1133992424.db2.gz UHXANFIVRFCDLV-UHFFFAOYSA-N -1 1 336.189 3.811 20 0 EHADMM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cc2ccccc2cc1O ZINC001185134296 1134041258 /nfs/dbraw/zinc/04/12/58/1134041258.db2.gz SMERYOKVUNYFIC-UHFFFAOYSA-N -1 1 349.358 3.766 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)ccc1F ZINC001185184559 1134045469 /nfs/dbraw/zinc/04/54/69/1134045469.db2.gz CXIYTFVMVZAUAV-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(-c2cnco2)cc1 ZINC001185186677 1134046283 /nfs/dbraw/zinc/04/62/83/1134046283.db2.gz WXRGCGIGEBOJDB-UHFFFAOYSA-N -1 1 340.404 3.631 20 0 EHADMM O=S(=O)([N-]c1ccc(Oc2nccs2)cc1)c1ccsc1 ZINC001185384242 1134075911 /nfs/dbraw/zinc/07/59/11/1134075911.db2.gz QTRWLKSPNSJNNX-UHFFFAOYSA-N -1 1 338.435 3.798 20 0 EHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000788111859 1134086012 /nfs/dbraw/zinc/08/60/12/1134086012.db2.gz PKTSRQCOLMLICF-UHFFFAOYSA-N -1 1 331.344 3.591 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185529891 1134104156 /nfs/dbraw/zinc/10/41/56/1134104156.db2.gz MZHGXFWNTZHNAK-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM COc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC001185828265 1134138608 /nfs/dbraw/zinc/13/86/08/1134138608.db2.gz ACTFSWKAMYLNAZ-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1Cl ZINC000788552010 1134141841 /nfs/dbraw/zinc/14/18/41/1134141841.db2.gz DXWLIQBJOWPENY-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2n[nH]cc2c1 ZINC001185989996 1134153246 /nfs/dbraw/zinc/15/32/46/1134153246.db2.gz ARUYGZVKCOJRQA-UHFFFAOYSA-N -1 1 342.207 3.671 20 0 EHADMM CC(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185996421 1134154820 /nfs/dbraw/zinc/15/48/20/1134154820.db2.gz DMWBJBUCXBZEOU-UHFFFAOYSA-N -1 1 329.425 3.562 20 0 EHADMM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001186001302 1134158100 /nfs/dbraw/zinc/15/81/00/1134158100.db2.gz QJVOSEACYIHMLN-UHFFFAOYSA-N -1 1 335.816 3.580 20 0 EHADMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1ccc([O-])c(F)c1 ZINC001186234112 1134184393 /nfs/dbraw/zinc/18/43/93/1134184393.db2.gz QLXIKPUXARLASR-WTVLQJKYSA-N -1 1 325.383 3.843 20 0 EHADMM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001186366831 1134201873 /nfs/dbraw/zinc/20/18/73/1134201873.db2.gz ZCCSGSQDKDFKMV-UHFFFAOYSA-N -1 1 343.395 3.782 20 0 EHADMM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC001186696575 1134244967 /nfs/dbraw/zinc/24/49/67/1134244967.db2.gz GYLPTHOTSXKACH-MNOVXSKESA-N -1 1 335.391 3.597 20 0 EHADMM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ncc1[O-] ZINC001186783292 1134258005 /nfs/dbraw/zinc/25/80/05/1134258005.db2.gz JFMGKRRBTBNIDP-UHFFFAOYSA-N -1 1 345.708 3.781 20 0 EHADMM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1[O-] ZINC001186810727 1134260864 /nfs/dbraw/zinc/26/08/64/1134260864.db2.gz ZBZJDLWTIWCAMF-UHFFFAOYSA-N -1 1 328.265 3.872 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)ncc1F)c1cc2c(s1)CCCC2 ZINC001187181004 1134306804 /nfs/dbraw/zinc/30/68/04/1134306804.db2.gz HQZVMMOPDAMJLQ-UHFFFAOYSA-N -1 1 346.836 3.615 20 0 EHADMM Cc1c(=O)[n-]c(SCc2cnc(Cl)cn2)nc1-c1ccccc1 ZINC000790003798 1134357734 /nfs/dbraw/zinc/35/77/34/1134357734.db2.gz VJBCHODOZDDCPO-UHFFFAOYSA-N -1 1 344.827 3.893 20 0 EHADMM Cc1ccc2c(CCC(=O)Nc3nc(Cl)ccc3[O-])c[nH]c2c1 ZINC000790052339 1134365175 /nfs/dbraw/zinc/36/51/75/1134365175.db2.gz VBBKCMVEXHQCJT-UHFFFAOYSA-N -1 1 329.787 3.802 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cnc(Cc2ccccc2)s1 ZINC000790055801 1134366481 /nfs/dbraw/zinc/36/64/81/1134366481.db2.gz GRVFMWZMWCNLQT-UHFFFAOYSA-N -1 1 345.811 3.740 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(-c2cscn2)c1 ZINC000790057425 1134366736 /nfs/dbraw/zinc/36/67/36/1134366736.db2.gz WSDBKLFTNHIBLN-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H](C)c1ccccc1 ZINC001187650855 1134367889 /nfs/dbraw/zinc/36/78/89/1134367889.db2.gz RYXJZPCLFLWRJT-GHMZBOCLSA-N -1 1 329.874 3.872 20 0 EHADMM O=C(Nc1cc(C(F)(F)F)no1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188563903 1134476652 /nfs/dbraw/zinc/47/66/52/1134476652.db2.gz OHEDIMFAPOEAGF-UHFFFAOYSA-N -1 1 340.179 3.670 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC2(CCC2)c2ccccc21 ZINC000791023275 1134498135 /nfs/dbraw/zinc/49/81/35/1134498135.db2.gz JJCCYKYBZYAWCX-UHFFFAOYSA-N -1 1 337.423 3.696 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)s1 ZINC001189079927 1134542297 /nfs/dbraw/zinc/54/22/97/1134542297.db2.gz JUOVRMADVKRZIZ-GFCCVEGCSA-N -1 1 341.420 3.846 20 0 EHADMM Cc1ccc(-c2nnc([N-]C(=O)c3ccnc(F)c3F)s2)c(C)c1 ZINC000791542166 1134566414 /nfs/dbraw/zinc/56/64/14/1134566414.db2.gz MPIVITQUPINOMV-UHFFFAOYSA-N -1 1 346.362 3.747 20 0 EHADMM Cc1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)nc2ccccc12 ZINC001189780902 1134626625 /nfs/dbraw/zinc/62/66/25/1134626625.db2.gz RIIXWIMTLWCDDW-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2cccc3nc(C)ccc32)c(OC)c1 ZINC001190137042 1134659638 /nfs/dbraw/zinc/65/96/38/1134659638.db2.gz IMNGBUKRASWWBG-UHFFFAOYSA-N -1 1 338.363 3.518 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2nc3ccc(C)cc3s2)c(OC)c1 ZINC001190110348 1134661301 /nfs/dbraw/zinc/66/13/01/1134661301.db2.gz NIPUFGSTOVJQHN-UHFFFAOYSA-N -1 1 344.392 3.580 20 0 EHADMM O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)ncc1[O-] ZINC001190718408 1134738547 /nfs/dbraw/zinc/73/85/47/1134738547.db2.gz QNKFUBZRMVLOKY-UHFFFAOYSA-N -1 1 347.680 3.983 20 0 EHADMM COc1cc(C(=O)Nc2cc3snnc3c(C)c2)cc(Cl)c1[O-] ZINC001191147958 1134801645 /nfs/dbraw/zinc/80/16/45/1134801645.db2.gz CNRNTYKYYWVBNC-UHFFFAOYSA-N -1 1 349.799 3.620 20 0 EHADMM O=S(=O)(CC1CCCC1)[N-]c1cccnc1OCc1ccccc1 ZINC001191487765 1134872181 /nfs/dbraw/zinc/87/21/81/1134872181.db2.gz BRCRCDXONLOHRN-UHFFFAOYSA-N -1 1 346.452 3.593 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ncc(C)cc1Cl ZINC001191788378 1134923609 /nfs/dbraw/zinc/92/36/09/1134923609.db2.gz UGENPOQXIPAQSF-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM Cc1cccc(CN(C)Cn2[n-]c(-c3ccccn3)nc2=S)c1C ZINC000793567341 1134958517 /nfs/dbraw/zinc/95/85/17/1134958517.db2.gz FCLJVJVKPAOUET-UHFFFAOYSA-N -1 1 339.468 3.709 20 0 EHADMM N=C(NC(=O)c1c(F)ccc([O-])c1F)C12CC3CC(CC(C3)C1)C2 ZINC001192540582 1135032130 /nfs/dbraw/zinc/03/21/30/1135032130.db2.gz XTNIHDYZMDPRBJ-UHFFFAOYSA-N -1 1 334.366 3.594 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc([O-])cc(F)c1F ZINC001192670931 1135043640 /nfs/dbraw/zinc/04/36/40/1135043640.db2.gz QWAMOCARVVVJMU-SFHVURJKSA-N -1 1 340.329 3.585 20 0 EHADMM Cc1cc(OC(F)F)ccc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192665228 1135047414 /nfs/dbraw/zinc/04/74/14/1135047414.db2.gz KMQZFDJZYMUBOX-UHFFFAOYSA-N -1 1 329.249 3.833 20 0 EHADMM O=C(Nc1c(Cl)ccc(O)c1Cl)c1cc(F)c([O-])cc1F ZINC001192873028 1135061912 /nfs/dbraw/zinc/06/19/12/1135061912.db2.gz YYORRGDPSPRJPJ-UHFFFAOYSA-N -1 1 334.105 3.935 20 0 EHADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)c1 ZINC001193428484 1135138070 /nfs/dbraw/zinc/13/80/70/1135138070.db2.gz YZBHXKJMQQBUFM-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM CCC(CC)(C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1 ZINC001129760239 1135151988 /nfs/dbraw/zinc/15/19/88/1135151988.db2.gz YMXXGRHJAVBJCY-UHFFFAOYSA-N -1 1 339.439 3.758 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccccc2N)cc(Cl)c1Cl ZINC001193937980 1135201156 /nfs/dbraw/zinc/20/11/56/1135201156.db2.gz LXAWPDVLKWOZNN-UHFFFAOYSA-N -1 1 331.224 3.685 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2-n2ccnc2)c1 ZINC001195111391 1135370554 /nfs/dbraw/zinc/37/05/54/1135370554.db2.gz INJIZCAXOPGVLK-UHFFFAOYSA-N -1 1 341.436 3.797 20 0 EHADMM Cc1cnc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(Cl)c1 ZINC001195278174 1135404691 /nfs/dbraw/zinc/40/46/91/1135404691.db2.gz NYMAWWBEJFJNQM-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM Cc1ccc([O-])c(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC001195324105 1135405259 /nfs/dbraw/zinc/40/52/59/1135405259.db2.gz MWOAGYZFPHBZCO-UHFFFAOYSA-N -1 1 335.407 3.597 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(C(F)(F)F)c(Cl)c1 ZINC001195484320 1135431717 /nfs/dbraw/zinc/43/17/17/1135431717.db2.gz LKSIYZVBAFIBNX-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM CCCCCC(CCCCC)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806487117 1135450274 /nfs/dbraw/zinc/45/02/74/1135450274.db2.gz QILHKOMPQQYMET-UHFFFAOYSA-N -1 1 345.491 3.993 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(COC(C)C)cc1 ZINC000747366073 1135508173 /nfs/dbraw/zinc/50/81/73/1135508173.db2.gz SWPKZJUVYWWBFL-UHFFFAOYSA-N -1 1 343.427 3.791 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@H](C)c1ccccc1 ZINC000747374447 1135526368 /nfs/dbraw/zinc/52/63/68/1135526368.db2.gz FRXOJNGEXKURBO-ZDUSSCGKSA-N -1 1 327.428 3.538 20 0 EHADMM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1snc(Cl)c1Cl ZINC001196334404 1135548027 /nfs/dbraw/zinc/54/80/27/1135548027.db2.gz QUUKPYMHRJIVFG-UHFFFAOYSA-N -1 1 348.236 3.678 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000808569948 1135695977 /nfs/dbraw/zinc/69/59/77/1135695977.db2.gz SGUJLNUOIFPEJQ-KTKRTIGZSA-N -1 1 340.857 3.870 20 0 EHADMM [O-]c1cc(NC(=S)NCc2ccc(Cl)cc2)c(F)cc1F ZINC001197580302 1135702832 /nfs/dbraw/zinc/70/28/32/1135702832.db2.gz BDIAHJNLTPYPGW-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM CC(C)C(=O)Nc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001197678271 1135724222 /nfs/dbraw/zinc/72/42/22/1135724222.db2.gz AYNTZROGLWMLSC-UHFFFAOYSA-N -1 1 338.363 3.837 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)c(C)cc1Cl ZINC001198143512 1135783233 /nfs/dbraw/zinc/78/32/33/1135783233.db2.gz AEAQLFAHXZEXKP-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC001198651112 1135842807 /nfs/dbraw/zinc/84/28/07/1135842807.db2.gz NSCBLEMBKUHFLD-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM CCOc1cccc(F)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198869172 1135864372 /nfs/dbraw/zinc/86/43/72/1135864372.db2.gz ABXCITWINQRKMN-UHFFFAOYSA-N -1 1 335.356 3.771 20 0 EHADMM O=C(NC[C@H]1COc2ccccc2C1)c1ccc2ccccc2c1[O-] ZINC000747579931 1135900792 /nfs/dbraw/zinc/90/07/92/1135900792.db2.gz DIPGQVGAZVMQSS-AWEZNQCLSA-N -1 1 333.387 3.527 20 0 EHADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1conc1C1CCCC1 ZINC000867358112 1135952689 /nfs/dbraw/zinc/95/26/89/1135952689.db2.gz SMWAMBGGXCBZHG-UHFFFAOYSA-N -1 1 329.404 3.681 20 0 EHADMM CSc1nc(C)c(CCC(=O)OC[C@@H]2CCC[C@@H](C)C2)c(=O)[n-]1 ZINC000776112627 1135959289 /nfs/dbraw/zinc/95/92/89/1135959289.db2.gz KGCQUKRPFSQRAA-DGCLKSJQSA-N -1 1 338.473 3.515 20 0 EHADMM COC(=O)Cc1ccccc1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810592219 1135979567 /nfs/dbraw/zinc/97/95/67/1135979567.db2.gz LJCOYFZPILXWBR-UHFFFAOYSA-N -1 1 349.795 3.818 20 0 EHADMM Cn1ncc2c1cccc2C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001201297837 1136004087 /nfs/dbraw/zinc/00/40/87/1136004087.db2.gz TUQZBBFEWMCKFC-UHFFFAOYSA-N -1 1 335.285 3.550 20 0 EHADMM CSc1nc(Nc2cncc(OCc3ccccc3)c2)cc(=O)[n-]1 ZINC001201622239 1136048571 /nfs/dbraw/zinc/04/85/71/1136048571.db2.gz WCQIJMKSXOMHCE-UHFFFAOYSA-N -1 1 340.408 3.622 20 0 EHADMM CCc1cc2c(COC(=O)[C@@H]3CC34CCCC4)cc(=O)oc2cc1[O-] ZINC000747729672 1136117955 /nfs/dbraw/zinc/11/79/55/1136117955.db2.gz DYBJBQOUNMXIKE-HNNXBMFYSA-N -1 1 342.391 3.685 20 0 EHADMM COc1cccc(NC(=O)Nc2cccc([O-])c2Br)c1 ZINC001202282611 1136122980 /nfs/dbraw/zinc/12/29/80/1136122980.db2.gz PCBBXJNGGHONHK-UHFFFAOYSA-N -1 1 337.173 3.807 20 0 EHADMM FC(F)SCc1ccc(C[N-]c2nnc(C(F)(F)F)o2)o1 ZINC000811836317 1136142961 /nfs/dbraw/zinc/14/29/61/1136142961.db2.gz OIEQZZPSPGTKTJ-UHFFFAOYSA-N -1 1 329.250 3.749 20 0 EHADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000811835782 1136143167 /nfs/dbraw/zinc/14/31/67/1136143167.db2.gz OFRLQBNJPKLKQB-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM CCC(C)(C)c1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001133907102 1136358631 /nfs/dbraw/zinc/35/86/31/1136358631.db2.gz NBZJRXCNXQTPKJ-UHFFFAOYSA-N -1 1 326.322 3.763 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)C[C@H](C)CC(C)C)[nH]c21 ZINC001134753719 1136527794 /nfs/dbraw/zinc/52/77/94/1136527794.db2.gz UHJXFHQQNWJMGK-GFCCVEGCSA-N -1 1 331.416 3.750 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)c3ccoc3C(C)C)[nH]c21 ZINC001134753522 1136527984 /nfs/dbraw/zinc/52/79/84/1136527984.db2.gz PHMBBJLEWMPYHJ-UHFFFAOYSA-N -1 1 341.367 3.708 20 0 EHADMM COc1cc(Cl)cc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1 ZINC000815458771 1136599869 /nfs/dbraw/zinc/59/98/69/1136599869.db2.gz DWUDOWPRHFSVDQ-UHFFFAOYSA-N -1 1 348.782 3.656 20 0 EHADMM CCCCn1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1C ZINC000885675809 1136603563 /nfs/dbraw/zinc/60/35/63/1136603563.db2.gz BMJJLXMVOKZBMA-UHFFFAOYSA-N -1 1 325.771 3.742 20 0 EHADMM CCCCCC[C@](C)(CC)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342310 1136609028 /nfs/dbraw/zinc/60/90/28/1136609028.db2.gz OTAZQBQITFWYGU-SFHVURJKSA-N -1 1 337.464 3.868 20 0 EHADMM COc1cccc([C@@]2(C)CCN(C(=O)c3c([O-])cccc3Cl)C2)c1 ZINC000855838478 1136733487 /nfs/dbraw/zinc/73/34/87/1136733487.db2.gz OULIGYAMZMIDRI-IBGZPJMESA-N -1 1 345.826 3.858 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCSC[C@H]1C1CC1 ZINC000888496964 1136767816 /nfs/dbraw/zinc/76/78/16/1136767816.db2.gz LNJVFYHKIOEHSG-KRWDZBQOSA-N -1 1 327.449 3.903 20 0 EHADMM Cc1nc(-c2ccc(C)cc2)c(CC(=O)[N-]OCCC2CC2)s1 ZINC000817371950 1136801265 /nfs/dbraw/zinc/80/12/65/1136801265.db2.gz CSKWTMUXGUXERB-UHFFFAOYSA-N -1 1 330.453 3.817 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1 ZINC001136041165 1136842777 /nfs/dbraw/zinc/84/27/77/1136842777.db2.gz QYUNEHJYLJSRDV-GOSISDBHSA-N -1 1 340.423 3.609 20 0 EHADMM CC[C@@](C)([N-]C(=O)C(F)(F)c1ccccc1OC)C(F)(F)F ZINC000857589270 1136887362 /nfs/dbraw/zinc/88/73/62/1136887362.db2.gz BJDSOFXVPPBEJO-GFCCVEGCSA-N -1 1 325.277 3.634 20 0 EHADMM CCN(CCNC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1C ZINC001136264444 1136961523 /nfs/dbraw/zinc/96/15/23/1136961523.db2.gz SBPFFHBRLVQGLA-UHFFFAOYSA-N -1 1 346.858 3.539 20 0 EHADMM COC(=O)CC[C@H](CC1CCCCC1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858572573 1136979579 /nfs/dbraw/zinc/97/95/79/1136979579.db2.gz QMUITHPQWDVSJN-GFCCVEGCSA-N -1 1 341.839 3.540 20 0 EHADMM CCCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1OCC ZINC000821007692 1137015623 /nfs/dbraw/zinc/01/56/23/1137015623.db2.gz KGVBRQAVSKFVIB-NTMALXAHSA-N -1 1 344.411 3.939 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc2onc(Cl)c2c1 ZINC000821118686 1137017430 /nfs/dbraw/zinc/01/74/30/1137017430.db2.gz FSQBZCFUNCYOLM-UHFFFAOYSA-N -1 1 344.726 3.560 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1F ZINC000821173847 1137019896 /nfs/dbraw/zinc/01/98/96/1137019896.db2.gz XCLITHMJHZRIMZ-UHFFFAOYSA-N -1 1 340.763 3.730 20 0 EHADMM O=C(C[C@@H]1CCCC1(F)F)Nc1cccc([O-])c1Br ZINC000821374440 1137023502 /nfs/dbraw/zinc/02/35/02/1137023502.db2.gz GYODNDOHQPBWPG-QMMMGPOBSA-N -1 1 334.160 3.919 20 0 EHADMM CCC(CC)(CNC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC001136528937 1137045925 /nfs/dbraw/zinc/04/59/25/1137045925.db2.gz FCUSMDACSBLKCM-UHFFFAOYSA-N -1 1 332.831 3.928 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2ccc3ccc(O)cc3c2[O-])s1 ZINC001136577885 1137058014 /nfs/dbraw/zinc/05/80/14/1137058014.db2.gz VIIWVOCWQUCSGZ-UHFFFAOYSA-N -1 1 327.405 3.893 20 0 EHADMM COc1ccccc1-c1csc(NC(=O)c2ccc(F)c([O-])c2)n1 ZINC001136667584 1137085875 /nfs/dbraw/zinc/08/58/75/1137085875.db2.gz JZNWOKSUKLKDNV-UHFFFAOYSA-N -1 1 344.367 3.916 20 0 EHADMM O=C(Cc1csc(C2CCCC2)n1)Nc1ccc([O-])c(F)c1F ZINC000823438992 1137099664 /nfs/dbraw/zinc/09/96/64/1137099664.db2.gz JNFWNXXFTQYGCQ-UHFFFAOYSA-N -1 1 338.379 3.966 20 0 EHADMM CC(=O)N(Cc1ccc(NC(=O)c2cccc([O-])c2F)cc1)C(C)C ZINC001136751792 1137106890 /nfs/dbraw/zinc/10/68/90/1137106890.db2.gz VKBXEOZTBDKXQX-UHFFFAOYSA-N -1 1 344.386 3.541 20 0 EHADMM Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001143765942 1137196710 /nfs/dbraw/zinc/19/67/10/1137196710.db2.gz ZJAWZXRAMXOTHH-UHFFFAOYSA-N -1 1 335.285 3.848 20 0 EHADMM CC(C)(C)c1csc(C(=O)[N-]c2nnc(-c3ccccn3)s2)n1 ZINC000864970117 1137255676 /nfs/dbraw/zinc/25/56/76/1137255676.db2.gz IIGOKWLUDZIYPL-UHFFFAOYSA-N -1 1 345.453 3.606 20 0 EHADMM [O-]c1cc(F)c(CN2CCC[C@@H](OCc3ccccc3)C2)c(F)c1 ZINC001144560196 1137309878 /nfs/dbraw/zinc/30/98/78/1137309878.db2.gz UZHFIFDXLZKZCJ-MRXNPFEDSA-N -1 1 333.378 3.852 20 0 EHADMM Cc1c(NC(=O)c2c(F)ccc([O-])c2F)cnn1-c1ccc(C)cc1 ZINC001144574897 1137312001 /nfs/dbraw/zinc/31/20/01/1137312001.db2.gz GURPGJKIJSELOT-UHFFFAOYSA-N -1 1 343.333 3.725 20 0 EHADMM C[C@]1(CC[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@]1(F)Cl ZINC000845973669 1137322716 /nfs/dbraw/zinc/32/27/16/1137322716.db2.gz BNNWGMVOWSITRT-UONOGXRCSA-N -1 1 349.786 3.555 20 0 EHADMM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cccc([O-])c1F ZINC001144843585 1137354785 /nfs/dbraw/zinc/35/47/85/1137354785.db2.gz UTYIGGKKCPQEEE-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM C[C@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)[C@@H]1c1ccccc1 ZINC001148193337 1137418719 /nfs/dbraw/zinc/41/87/19/1137418719.db2.gz YFLKQCUEOWVCAF-BUXKBTBVSA-N -1 1 336.366 3.913 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N3CCc4ccccc4[C@@H]3C)cc2)[n-]1 ZINC001148326849 1137422465 /nfs/dbraw/zinc/42/24/65/1137422465.db2.gz VVFOCFYRQRLHJX-HNNXBMFYSA-N -1 1 347.418 3.559 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CC(C)(C)C2)c([O-])c1 ZINC001148382043 1137423763 /nfs/dbraw/zinc/42/37/63/1137423763.db2.gz QZJXLHMEPOYMMD-UHFFFAOYSA-N -1 1 334.416 3.658 20 0 EHADMM CC(C)(C)C(F)(F)CNC(=O)c1ccc(Br)cc1[O-] ZINC001148631217 1137430313 /nfs/dbraw/zinc/43/03/13/1137430313.db2.gz YKWYJACBMMCOIJ-UHFFFAOYSA-N -1 1 336.176 3.566 20 0 EHADMM COc1nc(Cl)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794864 1137435112 /nfs/dbraw/zinc/43/51/12/1137435112.db2.gz NFYQOOHJCRWATQ-UHFFFAOYSA-N -1 1 346.692 3.720 20 0 EHADMM Cc1n[nH]c2cc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])ccc12 ZINC001148801017 1137435366 /nfs/dbraw/zinc/43/53/66/1137435366.db2.gz OYHVIDQOFIJNMF-UHFFFAOYSA-N -1 1 335.285 3.848 20 0 EHADMM O=C(Nc1cccn2nccc12)c1cccc(-c2ccccc2)c1[O-] ZINC001148866852 1137436834 /nfs/dbraw/zinc/43/68/34/1137436834.db2.gz HMYTWWFTSSGKIA-UHFFFAOYSA-N -1 1 329.359 3.959 20 0 EHADMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1cnc([C@@H]2CCCO2)s1 ZINC000871268369 1137530852 /nfs/dbraw/zinc/53/08/52/1137530852.db2.gz JZPCMSHVYLJJQK-QMMMGPOBSA-N -1 1 346.305 3.803 20 0 EHADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1ccsc1 ZINC000125155174 1137622479 /nfs/dbraw/zinc/62/24/79/1137622479.db2.gz BYZUEZRDAZNYEL-UHFFFAOYSA-N -1 1 336.467 3.759 20 0 EHADMM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(F)cc3F)c2)S1 ZINC000874929932 1137626519 /nfs/dbraw/zinc/62/65/19/1137626519.db2.gz SZSUOPLFPBDTAW-VIZOYTHASA-N -1 1 347.342 3.868 20 0 EHADMM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1nc(CC(C)C)ns1 ZINC000875823933 1137638925 /nfs/dbraw/zinc/63/89/25/1137638925.db2.gz IUTFURYFHXZANE-UHFFFAOYSA-N -1 1 333.335 3.909 20 0 EHADMM COC(=O)c1c[n-]c(SC[C@@H]2CCC[C@H](c3ccccc3)O2)n1 ZINC000882157439 1137822388 /nfs/dbraw/zinc/82/23/88/1137822388.db2.gz XEYIMNSJENOGDL-DZGCQCFKSA-N -1 1 332.425 3.599 20 0 EHADMM Cc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c(C)c1 ZINC000029508039 1137894135 /nfs/dbraw/zinc/89/41/35/1137894135.db2.gz DMZGAOUCSDOONN-UHFFFAOYSA-N -1 1 344.465 3.925 20 0 EHADMM O=c1[n-]nc([C@@H]2CCCN(CCc3cc(Cl)cc(Cl)c3)C2)o1 ZINC000332415477 1137943272 /nfs/dbraw/zinc/94/32/72/1137943272.db2.gz LVWKUTOFIHSLBH-LLVKDONJSA-N -1 1 342.226 3.504 20 0 EHADMM C[C@@H](Cc1cccs1)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001137212006 1137963975 /nfs/dbraw/zinc/96/39/75/1137963975.db2.gz HPNQAGHPKMJZQC-LBPRGKRZSA-N -1 1 326.421 3.705 20 0 EHADMM Cc1csc(C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)n1 ZINC000886237746 1138061959 /nfs/dbraw/zinc/06/19/59/1138061959.db2.gz JYIZXWIIZXEIIL-NSHDSACASA-N -1 1 336.844 3.515 20 0 EHADMM CC(C)[C@H](CC(=O)NCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000066637946 1138076555 /nfs/dbraw/zinc/07/65/55/1138076555.db2.gz UHPQVLGWYHWNDN-HNNXBMFYSA-N -1 1 344.484 3.722 20 0 EHADMM CCC[C@@H](C(=O)NCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000066639610 1138076586 /nfs/dbraw/zinc/07/65/86/1138076586.db2.gz WCTUNTSDIWZBIX-CQSZACIVSA-N -1 1 332.473 3.722 20 0 EHADMM CC(C)Cc1ccc(CC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066640066 1138076783 /nfs/dbraw/zinc/07/67/83/1138076783.db2.gz ZSHKPQOYRXEVAE-UHFFFAOYSA-N -1 1 346.500 3.579 20 0 EHADMM Cc1c2cccc(C)c2oc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639963 1138076950 /nfs/dbraw/zinc/07/69/50/1138076950.db2.gz VZQJUSYKRUCXHA-UHFFFAOYSA-N -1 1 344.440 3.815 20 0 EHADMM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080028510 1138160187 /nfs/dbraw/zinc/16/01/87/1138160187.db2.gz NMRHRUDGDFTMLI-XMMPIXPASA-N -1 1 349.427 3.831 20 0 EHADMM Cn1c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2nc1C(F)F ZINC000336965881 1138436739 /nfs/dbraw/zinc/43/67/39/1138436739.db2.gz JTKWMFACRBZKIV-UHFFFAOYSA-N -1 1 335.285 3.608 20 0 EHADMM CCCc1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000131514882 1138523146 /nfs/dbraw/zinc/52/31/46/1138523146.db2.gz UQSAXNSPGKJFCB-UHFFFAOYSA-N -1 1 327.453 3.569 20 0 EHADMM O=C(CCc1ccc(F)cc1F)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000337548949 1138602055 /nfs/dbraw/zinc/60/20/55/1138602055.db2.gz OINBIJXFRGJDKQ-UHFFFAOYSA-N -1 1 343.333 3.632 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2ccccc2C1 ZINC000338338551 1138839946 /nfs/dbraw/zinc/83/99/46/1138839946.db2.gz PBUVLIZAIRVTNU-UHFFFAOYSA-N -1 1 338.794 3.792 20 0 EHADMM CC(C)(C)OCc1cccc(CNC(=O)c2ccc([O-])cc2F)c1 ZINC000181203003 1139892578 /nfs/dbraw/zinc/89/25/78/1139892578.db2.gz VHGNCHJURRXPQK-UHFFFAOYSA-N -1 1 331.387 3.776 20 0 EHADMM COc1ccc(N[C@H](C)c2ccc(C)s2)cc1[N-]S(C)(=O)=O ZINC000182730587 1139988800 /nfs/dbraw/zinc/98/88/00/1139988800.db2.gz SWYYDPDOWMPFFV-LLVKDONJSA-N -1 1 340.470 3.610 20 0 EHADMM CCC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000185035153 1140132437 /nfs/dbraw/zinc/13/24/37/1140132437.db2.gz QTSZLEKGHXIJIE-KBXCAEBGSA-N -1 1 340.423 3.524 20 0 EHADMM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000192813620 1140551785 /nfs/dbraw/zinc/55/17/85/1140551785.db2.gz WEDPASYJFOKCLA-SNVBAGLBSA-N -1 1 338.320 3.965 20 0 EHADMM CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000267173732 1140765222 /nfs/dbraw/zinc/76/52/22/1140765222.db2.gz VIEPBMHZGOFJGU-UHFFFAOYSA-N -1 1 344.502 3.638 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2c(s1)CCCC2 ZINC000339121818 1141502920 /nfs/dbraw/zinc/50/29/20/1141502920.db2.gz YUDIZQFMYKDCEG-UHFFFAOYSA-N -1 1 339.420 3.975 20 0 EHADMM CSc1ccccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339126589 1141503619 /nfs/dbraw/zinc/50/36/19/1141503619.db2.gz GKLVCWLHQYFDHI-UHFFFAOYSA-N -1 1 325.393 3.757 20 0 EHADMM CC[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736382147 598843591 /nfs/dbraw/zinc/84/35/91/598843591.db2.gz LFRSXVFUVNEIIX-LBPRGKRZSA-N -1 1 348.815 3.890 20 0 EHADMM C[C@H](Sc1c2ccccc2nnc1-c1nn[n-]n1)c1cccs1 ZINC000736193440 598970583 /nfs/dbraw/zinc/97/05/83/598970583.db2.gz RBHMMVFDXAZSNO-VIFPVBQESA-N -1 1 340.437 3.725 20 0 EHADMM CC(C)c1nc2cc(NCc3ccc(-c4nn[n-]n4)s3)ccc2o1 ZINC000820203576 607309724 /nfs/dbraw/zinc/30/97/24/607309724.db2.gz UYXAMPVTZIKPGN-UHFFFAOYSA-N -1 1 340.412 3.805 20 0 EHADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@@H]2C=CCCC2)n1 ZINC000737245311 598565439 /nfs/dbraw/zinc/56/54/39/598565439.db2.gz NDLPLFOAUDCNGH-SECBINFHSA-N -1 1 341.362 3.790 20 0 EHADMM CC(C)[C@H]1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735748099 598756754 /nfs/dbraw/zinc/75/67/54/598756754.db2.gz HUGDQYUYGHTPGK-IUCAKERBSA-N -1 1 326.857 3.603 20 0 EHADMM CC(C)[C@H]1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735748099 598756756 /nfs/dbraw/zinc/75/67/56/598756756.db2.gz HUGDQYUYGHTPGK-IUCAKERBSA-N -1 1 326.857 3.603 20 0 EHADMM Cc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000822274720 599542160 /nfs/dbraw/zinc/54/21/60/599542160.db2.gz GYORLLSIPLRLHT-KRWDZBQOSA-N -1 1 342.406 3.823 20 0 EHADMM Cc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000822274720 599542162 /nfs/dbraw/zinc/54/21/62/599542162.db2.gz GYORLLSIPLRLHT-KRWDZBQOSA-N -1 1 342.406 3.823 20 0 EHADMM Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000738902907 599998287 /nfs/dbraw/zinc/99/82/87/599998287.db2.gz OCROZSDWJJHKPB-UHFFFAOYSA-N -1 1 349.434 3.819 20 0 EHADMM Cc1[nH]c(C(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738152261 600119058 /nfs/dbraw/zinc/11/90/58/600119058.db2.gz BMZCNPUBERTMEU-QGZVFWFLSA-N -1 1 346.402 3.638 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2cc(C)cc(C)c2)c(C)c1C(=O)[O-] ZINC000738363110 600139599 /nfs/dbraw/zinc/13/95/99/600139599.db2.gz CEFZZCVNSZFSAN-DZGCQCFKSA-N -1 1 342.439 3.869 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1Br ZINC000087846505 600627463 /nfs/dbraw/zinc/62/74/63/600627463.db2.gz MXRNGDFWEFYPLM-NSHDSACASA-N -1 1 334.213 3.998 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@H]1Cc1ccc(C)cc1 ZINC000738588328 600636861 /nfs/dbraw/zinc/63/68/61/600636861.db2.gz CYCZSLSQDNEJSO-HNNXBMFYSA-N -1 1 347.846 3.516 20 0 EHADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000248513547 600986947 /nfs/dbraw/zinc/98/69/47/600986947.db2.gz DIJGLYUFBPVBJT-KYOSRNDESA-N -1 1 349.381 3.649 20 0 EHADMM COc1ccccc1-c1nc(CN(C[C@@H](C)C(=O)[O-])C2CC2)cs1 ZINC000652489264 601304815 /nfs/dbraw/zinc/30/48/15/601304815.db2.gz APTLRLVQTMPFML-GFCCVEGCSA-N -1 1 346.452 3.504 20 0 EHADMM Cc1nn(-c2ccccc2)c(Cl)c1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000833011967 601374700 /nfs/dbraw/zinc/37/47/00/601374700.db2.gz UXDPLKJLIGZIGS-GFCCVEGCSA-N -1 1 347.846 3.519 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000827134331 601602421 /nfs/dbraw/zinc/60/24/21/601602421.db2.gz RNAKWGUHUJIWKF-SFHVURJKSA-N -1 1 348.487 3.961 20 0 EHADMM O=C([O-])c1sccc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000571453625 601811259 /nfs/dbraw/zinc/81/12/59/601811259.db2.gz VJLRZZJCJCFIND-INIZCTEOSA-N -1 1 349.427 3.767 20 0 EHADMM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccsc1C(=O)[O-] ZINC000652408371 601821289 /nfs/dbraw/zinc/82/12/89/601821289.db2.gz FBELXEOVNAPZCU-OAHLLOKOSA-N -1 1 331.437 3.798 20 0 EHADMM CC[C@H](C)c1ccc(NC(=O)CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000828764421 601841827 /nfs/dbraw/zinc/84/18/27/601841827.db2.gz JBCSRBMKRRAJKP-HNNXBMFYSA-N -1 1 346.471 3.715 20 0 EHADMM Cc1ncsc1CN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833010659 601975126 /nfs/dbraw/zinc/97/51/26/601975126.db2.gz SZKYFHNCORMRDC-LBPRGKRZSA-N -1 1 331.224 3.674 20 0 EHADMM CC1(C)CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000828074949 602043719 /nfs/dbraw/zinc/04/37/19/602043719.db2.gz VNWVNXJBXMFZII-ZDUSSCGKSA-N -1 1 332.227 3.620 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000826051204 602046939 /nfs/dbraw/zinc/04/69/39/602046939.db2.gz BJRHNOLBNOYYCD-KBXCAEBGSA-N -1 1 327.428 3.550 20 0 EHADMM CCc1nc2c(s1)[C@H](N(C)Cc1ccsc1C(=O)[O-])CCC2 ZINC000578137439 602053682 /nfs/dbraw/zinc/05/36/82/602053682.db2.gz IVDIBGJJJQSHFK-GFCCVEGCSA-N -1 1 336.482 3.975 20 0 EHADMM COc1cccc(C=C2CCN(Cc3cc(C(=O)[O-])oc3C)CC2)c1 ZINC000832545584 602230465 /nfs/dbraw/zinc/23/04/65/602230465.db2.gz JWDUGTDATBMPIK-UHFFFAOYSA-N -1 1 341.407 3.974 20 0 EHADMM Cc1cc(CN2CCC[C@H]2CC(=O)c2ccccc2)oc1C(=O)[O-] ZINC000832882715 602240676 /nfs/dbraw/zinc/24/06/76/602240676.db2.gz LYGBWGMWUPLMQR-HNNXBMFYSA-N -1 1 327.380 3.524 20 0 EHADMM CC(C)Oc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000824410877 603848692 /nfs/dbraw/zinc/84/86/92/603848692.db2.gz FHYFRGPMHYKTOK-UHFFFAOYSA-N -1 1 340.423 3.804 20 0 EHADMM Cc1ccc(-c2cnc(CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)o2)cc1 ZINC000830148865 604251260 /nfs/dbraw/zinc/25/12/60/604251260.db2.gz LBAJTEDQHLGDOM-GDBMZVCRSA-N -1 1 343.427 3.518 20 0 EHADMM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cc(Cl)ccc1Cl ZINC000827717663 604997093 /nfs/dbraw/zinc/99/70/93/604997093.db2.gz KAXQBSCTVWYIMB-LKFCYVNXSA-N -1 1 325.195 3.865 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccccc1OC(F)F ZINC000833680602 605067902 /nfs/dbraw/zinc/06/79/02/605067902.db2.gz LDTOCKIHRMOGAJ-SNVBAGLBSA-N -1 1 339.338 3.992 20 0 EHADMM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833546554 605104529 /nfs/dbraw/zinc/10/45/29/605104529.db2.gz JALKCGJLNJJYDD-JTQLQIEISA-N -1 1 326.318 3.925 20 0 EHADMM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833546555 605104543 /nfs/dbraw/zinc/10/45/43/605104543.db2.gz JALKCGJLNJJYDD-SNVBAGLBSA-N -1 1 326.318 3.925 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000833680009 605171534 /nfs/dbraw/zinc/17/15/34/605171534.db2.gz ASXNAIRFCDHUNS-CYBMUJFWSA-N -1 1 339.395 3.577 20 0 EHADMM O=C([O-])Nc1cccc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000834269329 605594437 /nfs/dbraw/zinc/59/44/37/605594437.db2.gz SXKQQINJKBFNND-KRWDZBQOSA-N -1 1 330.384 3.551 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000833813169 605601175 /nfs/dbraw/zinc/60/11/75/605601175.db2.gz NZTOQRDUDCBYSH-GHMZBOCLSA-N -1 1 348.415 3.604 20 0 EHADMM Cc1cc([C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)ccc1F ZINC000822191847 606430863 /nfs/dbraw/zinc/43/08/63/606430863.db2.gz SIJADDJIJDXOQQ-ZETCQYMHSA-N -1 1 338.799 3.597 20 0 EHADMM Cc1cc([C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)ccc1F ZINC000822191847 606430865 /nfs/dbraw/zinc/43/08/65/606430865.db2.gz SIJADDJIJDXOQQ-ZETCQYMHSA-N -1 1 338.799 3.597 20 0 EHADMM Cc1ccccc1[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822351857 606458687 /nfs/dbraw/zinc/45/86/87/606458687.db2.gz RPKCNZDYJCSBSO-CQSZACIVSA-N -1 1 340.818 3.565 20 0 EHADMM Cc1ccccc1[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822351857 606458688 /nfs/dbraw/zinc/45/86/88/606458688.db2.gz RPKCNZDYJCSBSO-CQSZACIVSA-N -1 1 340.818 3.565 20 0 EHADMM c1ccc2c(c1)OC1(CCCC1)C[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000823756579 607034153 /nfs/dbraw/zinc/03/41/53/607034153.db2.gz CLWLUTRPTBROGA-OAHLLOKOSA-N -1 1 348.410 3.510 20 0 EHADMM c1ccc2c(c1)OC1(CCCC1)C[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000823756579 607034154 /nfs/dbraw/zinc/03/41/54/607034154.db2.gz CLWLUTRPTBROGA-OAHLLOKOSA-N -1 1 348.410 3.510 20 0 EHADMM CC(C)c1ccc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824347713 607968553 /nfs/dbraw/zinc/96/85/53/607968553.db2.gz LLEDUCHZNKQZSS-KRWDZBQOSA-N -1 1 334.427 3.727 20 0 EHADMM CC(C)c1ccc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824347713 607968554 /nfs/dbraw/zinc/96/85/54/607968554.db2.gz LLEDUCHZNKQZSS-KRWDZBQOSA-N -1 1 334.427 3.727 20 0 EHADMM CCCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1c(F)cccc1Cl ZINC000825322925 608547608 /nfs/dbraw/zinc/54/76/08/608547608.db2.gz LTVICMKBPIEMDI-UHFFFAOYSA-N -1 1 349.797 3.664 20 0 EHADMM CCCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1c(F)cccc1Cl ZINC000825322925 608547609 /nfs/dbraw/zinc/54/76/09/608547609.db2.gz LTVICMKBPIEMDI-UHFFFAOYSA-N -1 1 349.797 3.664 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000043688333 948894297 /nfs/dbraw/zinc/89/42/97/948894297.db2.gz LKSIBFIZVDVRFC-SNVBAGLBSA-N -1 1 332.263 3.587 20 0 EHADMM CCCCc1nc2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2[nH]1 ZINC000353961126 971530296 /nfs/dbraw/zinc/53/02/96/971530296.db2.gz MRSPQWIRQMAPPA-STQMWFEESA-N -1 1 343.427 3.735 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(F)cc2Br)cc1 ZINC000426696048 953492638 /nfs/dbraw/zinc/49/26/38/953492638.db2.gz MCWYFKZROLINKV-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H](NCc2conc2Cc2ccccc2)c2ccccc21 ZINC001594899179 954603324 /nfs/dbraw/zinc/60/33/24/954603324.db2.gz BOKFBMJOLGMIRU-UYAOXDASSA-N -1 1 348.402 3.668 20 0 EHADMM C[C@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)CC2(CCCCC2)O1 ZINC001327712434 961178375 /nfs/dbraw/zinc/17/83/75/961178375.db2.gz YTDICFOBFYSZDV-XJKSGUPXSA-N -1 1 337.847 3.889 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc3cc(F)ccc3o2)C1 ZINC001353915259 962675714 /nfs/dbraw/zinc/67/57/14/962675714.db2.gz IOHNWLFVUMZIAN-MNOVXSKESA-N -1 1 345.292 3.657 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2csc(CCc3ccccc3)n2)C1 ZINC000582702827 968477264 /nfs/dbraw/zinc/47/72/64/968477264.db2.gz XSGHAKMOYLCBBL-INIZCTEOSA-N -1 1 344.480 3.615 20 0 EHADMM COc1ccc2oc(CN[C@H](CC3CCCCC3)C(=O)[O-])cc2c1 ZINC000417615181 973965461 /nfs/dbraw/zinc/96/54/61/973965461.db2.gz WXBVQYYCOFIKTD-QGZVFWFLSA-N -1 1 331.412 3.955 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)[nH]n2)o1 ZINC000471985400 974198240 /nfs/dbraw/zinc/19/82/40/974198240.db2.gz LQAHAGMYXYCOFN-UHFFFAOYSA-N -1 1 339.351 3.545 20 0 EHADMM CCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000515029284 974295506 /nfs/dbraw/zinc/29/55/06/974295506.db2.gz LEDRORJHPAJUDR-INIZCTEOSA-N -1 1 348.240 3.927 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1csc(C(=O)[O-])c1)CCC2 ZINC000519706235 974333667 /nfs/dbraw/zinc/33/36/67/974333667.db2.gz PZEZMHNQZSTXJS-LBPRGKRZSA-N -1 1 336.482 3.975 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000568060080 974655802 /nfs/dbraw/zinc/65/58/02/974655802.db2.gz QBNZRIZPVXQJGG-INIZCTEOSA-N -1 1 345.395 3.641 20 0 EHADMM CC[C@@H](CSC)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000568404573 974670047 /nfs/dbraw/zinc/67/00/47/974670047.db2.gz ZQCNKPCYUORKMO-HNNXBMFYSA-N -1 1 334.441 3.613 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1F ZINC000569824965 974700016 /nfs/dbraw/zinc/70/00/16/974700016.db2.gz GGVBMTHXWVHREJ-GFCCVEGCSA-N -1 1 335.325 3.792 20 0 EHADMM CN(C[C@@H]1CCCCO1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000570689681 974716883 /nfs/dbraw/zinc/71/68/83/974716883.db2.gz RSNOISYNTTUFFS-HZMBPMFUSA-N -1 1 332.227 3.620 20 0 EHADMM CCN(CCC(=O)[O-])Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629360024 975082106 /nfs/dbraw/zinc/08/21/06/975082106.db2.gz HWNFXUKXVSDIPQ-UHFFFAOYSA-N -1 1 343.210 3.945 20 0 EHADMM COc1ccc2c(c1)C1(CC1)CN([C@@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC000652449172 975536682 /nfs/dbraw/zinc/53/66/82/975536682.db2.gz SRXPHUHLTAZJPD-GOSISDBHSA-N -1 1 341.382 3.507 20 0 EHADMM CC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2O)c(C(=O)[O-])c1 ZINC001591787955 975966353 /nfs/dbraw/zinc/96/63/53/975966353.db2.gz IIHBXHKOXVBIML-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM CC(C)c1[nH]c(CN(C)Cc2ccccc2N(C)C)cc1C(=O)[O-] ZINC001591910473 976319060 /nfs/dbraw/zinc/31/90/60/976319060.db2.gz FWCWNANTOHPZEW-UHFFFAOYSA-N -1 1 329.444 3.534 20 0 EHADMM C[C@@H]1CN(Cc2cc(Br)ccc2Cl)C[C@H]1CC(=O)[O-] ZINC000722645545 978158273 /nfs/dbraw/zinc/15/82/73/978158273.db2.gz NQQRMUBEEQJTFX-NXEZZACHSA-N -1 1 346.652 3.645 20 0 EHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1 ZINC000547631211 1014485115 /nfs/dbraw/zinc/48/51/15/1014485115.db2.gz SFPIYLQOAAKFDO-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CC[C@@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(C)c(F)c1 ZINC001595286015 980360869 /nfs/dbraw/zinc/36/08/69/980360869.db2.gz BOLFMPYDOKFYFP-QGZVFWFLSA-N -1 1 344.386 3.512 20 0 EHADMM COc1ccc([C@H](NCc2cc(C)ccc2OC)C(=O)[O-])cc1Cl ZINC000901848073 980571731 /nfs/dbraw/zinc/57/17/31/980571731.db2.gz KTOZRJGKCJQYSE-KRWDZBQOSA-N -1 1 349.814 3.581 20 0 EHADMM CCc1oc(CN[C@@H](c2ccc(OC)cc2)C2CC2)cc1C(=O)[O-] ZINC000902128478 980748392 /nfs/dbraw/zinc/74/83/92/980748392.db2.gz DJVJNFZALILDSM-GOSISDBHSA-N -1 1 329.396 3.790 20 0 EHADMM CCc1oc(CN[C@H](C)c2cccc(-n3cccn3)c2)cc1C(=O)[O-] ZINC000902263345 980807095 /nfs/dbraw/zinc/80/70/95/980807095.db2.gz VZOWBOICKGGJMO-CYBMUJFWSA-N -1 1 339.395 3.577 20 0 EHADMM CC(C)(C)Oc1cccc(CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000902499694 980911062 /nfs/dbraw/zinc/91/10/62/980911062.db2.gz BHBNUHHUGZINTP-KTKRTIGZSA-N -1 1 329.396 3.845 20 0 EHADMM C[C@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1cc2ccccc2o1 ZINC000905798025 981155950 /nfs/dbraw/zinc/15/59/50/981155950.db2.gz YQLWSCANDGFDEO-WCQYABFASA-N -1 1 325.368 3.513 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC)cc2Cl)cc1 ZINC000683171021 1014711276 /nfs/dbraw/zinc/71/12/76/1014711276.db2.gz DSZFOTXNRQJVSA-QGZVFWFLSA-N -1 1 349.814 3.663 20 0 EHADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC)cc2Cl)cc1 ZINC000683171020 1014712184 /nfs/dbraw/zinc/71/21/84/1014712184.db2.gz DSZFOTXNRQJVSA-KRWDZBQOSA-N -1 1 349.814 3.663 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000026547206 1014852947 /nfs/dbraw/zinc/85/29/47/1014852947.db2.gz COOQVBCAWUDVHN-UHFFFAOYSA-N -1 1 333.453 3.931 20 0 EHADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=O)c1ccc(Cl)cc1 ZINC000064671855 1014879279 /nfs/dbraw/zinc/87/92/79/1014879279.db2.gz OZJBJUKBDHAAAR-UHFFFAOYSA-N -1 1 342.782 3.778 20 0 EHADMM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCC(CC(=O)[O-])CC1 ZINC001595013239 982944863 /nfs/dbraw/zinc/94/48/63/982944863.db2.gz CSSVQOBSIOUCNF-GJZGRUSLSA-N -1 1 346.471 3.714 20 0 EHADMM CCCc1ccc(CN2CCOc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001596062611 983372008 /nfs/dbraw/zinc/37/20/08/983372008.db2.gz GXUCULABPMGHFO-UHFFFAOYSA-N -1 1 325.408 3.732 20 0 EHADMM CCN(CCC(=O)[O-])Cc1cc2ccc(SC)cc2nc1Cl ZINC001596314935 983746201 /nfs/dbraw/zinc/74/62/01/983746201.db2.gz VGSASOIZYBJZCO-UHFFFAOYSA-N -1 1 338.860 3.907 20 0 EHADMM CCN(Cc1cccc(C(=O)[O-])c1Cl)[C@H](CO)c1ccccc1 ZINC001596364373 983846781 /nfs/dbraw/zinc/84/67/81/983846781.db2.gz BCHBUUTYCZJIEG-MRXNPFEDSA-N -1 1 333.815 3.594 20 0 EHADMM COc1ccc(C[C@@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445480655 1015004516 /nfs/dbraw/zinc/00/45/16/1015004516.db2.gz MMEDTEIVVNMRRK-LLVKDONJSA-N -1 1 328.343 3.936 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCCC2(CCCCC2)CC1 ZINC001599959310 985750667 /nfs/dbraw/zinc/75/06/67/985750667.db2.gz UZLPWUUZPJMQDY-UHFFFAOYSA-N -1 1 332.444 3.640 20 0 EHADMM C[C@@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)Cc2ccccc2O1 ZINC001594547468 986227418 /nfs/dbraw/zinc/22/74/18/986227418.db2.gz KLQXUMGQTKLCIR-CQSZACIVSA-N -1 1 348.402 3.716 20 0 EHADMM CCOc1cccc(Cl)c1CN1CCC(CCC(=O)[O-])CC1 ZINC001597154967 986945369 /nfs/dbraw/zinc/94/53/69/986945369.db2.gz DZPDUYLPLKDZRN-UHFFFAOYSA-N -1 1 325.836 3.816 20 0 EHADMM CCOc1ccccc1[C@H](CC)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001597172770 987007296 /nfs/dbraw/zinc/00/72/96/987007296.db2.gz JUHIMUHNHUCOOH-GJZGRUSLSA-N -1 1 343.427 3.556 20 0 EHADMM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1 ZINC001589511430 987139873 /nfs/dbraw/zinc/13/98/73/987139873.db2.gz CKQGVIVRXAVRJW-JTQLQIEISA-N -1 1 341.392 3.579 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H](C2CCC2)C1 ZINC000620207114 1125500212 /nfs/dbraw/zinc/50/02/12/1125500212.db2.gz XJMCGBCXSMJLCJ-CYBMUJFWSA-N -1 1 338.245 3.807 20 0 EHADMM COc1cc(C(=O)N2CC3(CC3)Oc3ccccc32)cc(Cl)c1[O-] ZINC000890621960 1015318597 /nfs/dbraw/zinc/31/85/97/1015318597.db2.gz PMGPBEXBKVHDMZ-UHFFFAOYSA-N -1 1 345.782 3.626 20 0 EHADMM CCc1[nH]c(CN[C@@H]2CCSc3c(F)cccc32)cc1C(=O)[O-] ZINC001597393100 987630573 /nfs/dbraw/zinc/63/05/73/987630573.db2.gz CJZAFRRQLLAYPR-OAHLLOKOSA-N -1 1 334.416 3.741 20 0 EHADMM CCc1[nH]c(CNCc2c(Cl)oc3ccccc32)cc1C(=O)[O-] ZINC001597395657 987649260 /nfs/dbraw/zinc/64/92/60/987649260.db2.gz ZAPUKZRDCVWHTR-UHFFFAOYSA-N -1 1 332.787 3.965 20 0 EHADMM CC(C)(C)CCOc1cnccc1CNCc1ccsc1C(=O)[O-] ZINC001589780197 988149593 /nfs/dbraw/zinc/14/95/93/988149593.db2.gz RNEVHRUQLYAQCX-UHFFFAOYSA-N -1 1 348.468 3.946 20 0 EHADMM CC(C)c1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)no1 ZINC000179585488 1015461695 /nfs/dbraw/zinc/46/16/95/1015461695.db2.gz NNPJPESDLZSGAH-AATRIKPKSA-N -1 1 330.369 3.665 20 0 EHADMM CC(C)(C)OC(=O)c1ccccc1CNCc1cc(C(=O)[O-])cs1 ZINC001590369669 989858891 /nfs/dbraw/zinc/85/88/91/989858891.db2.gz WEYCNLQGSAUDDB-UHFFFAOYSA-N -1 1 347.436 3.691 20 0 EHADMM COc1cccc2c1CN([C@H](C(=O)[O-])c1ccccc1Cl)CC2 ZINC001599691444 991075610 /nfs/dbraw/zinc/07/56/10/991075610.db2.gz FMIBJXBVPHJXPW-KRWDZBQOSA-N -1 1 331.799 3.533 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(Br)c1F ZINC000430268979 1015608685 /nfs/dbraw/zinc/60/86/85/1015608685.db2.gz MLPGTJUMNOLWRE-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM COc1ccccc1[C@H](C)N[C@@H](C)c1ccccc1OCC(=O)[O-] ZINC001599719457 991511987 /nfs/dbraw/zinc/51/19/87/991511987.db2.gz OQKOKJMZXZPTFC-KBPBESRZSA-N -1 1 329.396 3.570 20 0 EHADMM CN(CCCCc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001598477702 992101912 /nfs/dbraw/zinc/10/19/12/992101912.db2.gz VGQYMKQHXXTRFU-UHFFFAOYSA-N -1 1 337.423 3.716 20 0 EHADMM Cc1sc(NC(=O)c2cncc([O-])c2)nc1-c1ccc(C)cc1 ZINC000339813289 1015696696 /nfs/dbraw/zinc/69/66/96/1015696696.db2.gz FLCVQUVILKZVCV-UHFFFAOYSA-N -1 1 325.393 3.780 20 0 EHADMM CC(C)CN(Cc1ccccn1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001591343800 992326671 /nfs/dbraw/zinc/32/66/71/992326671.db2.gz FDKYXZGRRGMDCQ-INIZCTEOSA-N -1 1 342.439 3.592 20 0 EHADMM CC(C)Cc1ccc([C@@H](NCc2cnc(C(=O)[O-])cn2)C(C)C)cc1 ZINC001591484294 992610205 /nfs/dbraw/zinc/61/02/05/992610205.db2.gz MUFYKUKPGMAIBH-IBGZPJMESA-N -1 1 341.455 3.860 20 0 EHADMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccns1 ZINC001593194748 994140783 /nfs/dbraw/zinc/14/07/83/994140783.db2.gz MOMOSOSTTIPSAW-UFBFGSQYSA-N -1 1 330.331 3.638 20 0 EHADMM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1F ZINC001593196690 994157341 /nfs/dbraw/zinc/15/73/41/994157341.db2.gz IFYKSMNHHRQREH-NWDGAFQWSA-N -1 1 335.350 3.840 20 0 EHADMM C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593197379 994162899 /nfs/dbraw/zinc/16/28/99/994162899.db2.gz JRXGDTWAHILQGW-VXGBXAGGSA-N -1 1 335.350 3.840 20 0 EHADMM C[C@@H](N[C@@H](C)c1ncc(C(C)(C)C)o1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593197447 994164002 /nfs/dbraw/zinc/16/40/02/994164002.db2.gz KDGQQLVIRNWXKP-IJEWVQPXSA-N -1 1 344.455 3.955 20 0 EHADMM C[C@@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1cc(C(=O)[O-])cs1 ZINC001593208310 994223374 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CCCCOc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)c(C)c1 ZINC000436939553 1021400806 /nfs/dbraw/zinc/40/08/06/1021400806.db2.gz OSXDMYJGCZGIBF-UHFFFAOYSA-N -1 1 327.380 3.701 20 0 EHADMM COc1ccc2cc(CNC(=O)c3c([O-])cccc3F)ccc2c1 ZINC000436944412 1021405111 /nfs/dbraw/zinc/40/51/11/1021405111.db2.gz PWZMBLILVQNVMA-UHFFFAOYSA-N -1 1 325.339 3.623 20 0 EHADMM CC1(c2ccccc2)CCC(NC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436965382 1021412786 /nfs/dbraw/zinc/41/27/86/1021412786.db2.gz RSLWLGHOROFSHB-UHFFFAOYSA-N -1 1 337.419 3.592 20 0 EHADMM Cc1ccnc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)n1 ZINC000436956613 1021421427 /nfs/dbraw/zinc/42/14/27/1021421427.db2.gz NXUCOIFHFUYAIA-UHFFFAOYSA-N -1 1 346.346 4.000 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)CCCC(=O)[O-] ZINC000430654588 1021686331 /nfs/dbraw/zinc/68/63/31/1021686331.db2.gz BTCGUDAIBQJXJK-UHFFFAOYSA-N -1 1 334.460 3.669 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C ZINC000437314987 1021722952 /nfs/dbraw/zinc/72/29/52/1021722952.db2.gz 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1022917558 /nfs/dbraw/zinc/91/75/58/1022917558.db2.gz VRHXZJMHXJKVJZ-JSGCOSHPSA-N -1 1 331.362 3.936 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000476278874 1033093945 /nfs/dbraw/zinc/09/39/45/1033093945.db2.gz SAMMEEIPOZXHDO-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cc(F)ccc1[O-] ZINC000091699748 1023061030 /nfs/dbraw/zinc/06/10/30/1023061030.db2.gz XBUXUCUOTOSQNT-GOSISDBHSA-N -1 1 340.329 3.585 20 0 EHADMM CCCOc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)ccc1OC ZINC000426812554 1023061250 /nfs/dbraw/zinc/06/12/50/1023061250.db2.gz YWULFPNVNXBSBY-HNNXBMFYSA-N -1 1 347.411 3.691 20 0 EHADMM O=S(=O)([N-]c1ccsc1Cl)c1cc(F)ccc1Cl ZINC000189740163 1023097106 /nfs/dbraw/zinc/09/71/06/1023097106.db2.gz SQWCDDZGMQSHCY-UHFFFAOYSA-N -1 1 326.201 3.995 20 0 EHADMM Oc1ccc(F)c(C[NH2+]CCSCc2ccccc2F)c1F ZINC000509582330 1023100139 /nfs/dbraw/zinc/10/01/39/1023100139.db2.gz GOGPPRNSOSMQEG-UHFFFAOYSA-N -1 1 327.371 3.833 20 0 EHADMM CCOC(=O)CN(Cc1ccccc1)Cc1cccc([O-])c1Cl ZINC000507111662 1023136700 /nfs/dbraw/zinc/13/67/00/1023136700.db2.gz QRRLEQSYOQXZIH-UHFFFAOYSA-N -1 1 333.815 3.611 20 0 EHADMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426963410 1023139382 /nfs/dbraw/zinc/13/93/82/1023139382.db2.gz HIBOYRJJTZNVNM-DVOMOZLQSA-N -1 1 341.480 3.546 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)c([O-])c1 ZINC000189994785 1023153611 /nfs/dbraw/zinc/15/36/11/1023153611.db2.gz RLBTXNKBDCIPMT-UHFFFAOYSA-N -1 1 342.395 3.782 20 0 EHADMM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000439055764 1023245157 /nfs/dbraw/zinc/24/51/57/1023245157.db2.gz IKXWGLIKOLHHLE-GUYCJALGSA-N -1 1 345.826 3.943 20 0 EHADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccccc1 ZINC000471939186 1023349646 /nfs/dbraw/zinc/34/96/46/1023349646.db2.gz IZRHIZDBVYNXJM-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000092429769 1023413234 /nfs/dbraw/zinc/41/32/34/1023413234.db2.gz LHSOPTDDUYFXRV-HNNXBMFYSA-N -1 1 343.810 3.923 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000171209505 1033141852 /nfs/dbraw/zinc/14/18/52/1033141852.db2.gz FGDLYHSUOIRNLF-SJKOYZFVSA-N -1 1 331.799 3.648 20 0 EHADMM O=C(Cc1csc(-c2ccoc2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000150718863 1023927973 /nfs/dbraw/zinc/92/79/73/1023927973.db2.gz NNSKCHCVBDTTFU-UHFFFAOYSA-N -1 1 334.784 3.943 20 0 EHADMM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1ncc(F)cc1F ZINC000192383702 1023997771 /nfs/dbraw/zinc/99/77/71/1023997771.db2.gz NBZGIDKETQPNTR-UHFFFAOYSA-N -1 1 346.362 3.520 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H](C[C@H]3CCCO3)C(F)(F)F)n2)cc1F ZINC000650590750 1024016990 /nfs/dbraw/zinc/01/69/90/1024016990.db2.gz IXBBNDPDNVXWRP-NXEZZACHSA-N -1 1 346.280 3.796 20 0 EHADMM CNC(=O)Nc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000192492083 1024029292 /nfs/dbraw/zinc/02/92/92/1024029292.db2.gz MFEGWINAJFNZCL-UHFFFAOYSA-N -1 1 335.363 3.549 20 0 EHADMM CCOCc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000522599482 1024103387 /nfs/dbraw/zinc/10/33/87/1024103387.db2.gz GBCANPCSAZGGBV-UHFFFAOYSA-N -1 1 339.844 3.986 20 0 EHADMM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cncc([O-])c1 ZINC000320498957 1024357038 /nfs/dbraw/zinc/35/70/38/1024357038.db2.gz WJTAZPXYZXVECN-INIZCTEOSA-N -1 1 328.368 3.507 20 0 EHADMM COc1cc(C(=O)Nc2ccc3c(C)nn(C)c3c2)cc(Cl)c1[O-] ZINC000428288358 1024384197 /nfs/dbraw/zinc/38/41/97/1024384197.db2.gz RHVKEFWTQJQZPC-UHFFFAOYSA-N -1 1 345.786 3.502 20 0 EHADMM Cc1cc(F)c(Br)cc1NC(=O)c1ccc([O-])cc1F ZINC000191527134 1024397457 /nfs/dbraw/zinc/39/74/57/1024397457.db2.gz XTSAWWLPULJGII-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM CCc1nc(SCC(=O)Cc2ccccc2Cl)[n-]c(=O)c1C ZINC000657263798 1024425350 /nfs/dbraw/zinc/42/53/50/1024425350.db2.gz NVSDMTFSZKYGDS-UHFFFAOYSA-N -1 1 336.844 3.610 20 0 EHADMM CCOc1cc(C(=O)NCc2cccc3cc[nH]c32)cc(Cl)c1[O-] ZINC000346191913 1024511496 /nfs/dbraw/zinc/51/14/96/1024511496.db2.gz RKJWBGBNCXITNC-UHFFFAOYSA-N -1 1 344.798 3.856 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)n[nH]1 ZINC000434958408 1024525096 /nfs/dbraw/zinc/52/50/96/1024525096.db2.gz FKXQKYILIWSTKI-UHFFFAOYSA-N -1 1 333.438 3.556 20 0 EHADMM CCc1cc(=O)[n-]c(SC[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000840207657 1024567884 /nfs/dbraw/zinc/56/78/84/1024567884.db2.gz UPLRXTCDVWVVKO-LBPRGKRZSA-N -1 1 345.251 3.877 20 0 EHADMM Cc1cnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)[n-]c1=O ZINC000514734515 1024707158 /nfs/dbraw/zinc/70/71/58/1024707158.db2.gz FLWFMNVJPCNLPC-JTQLQIEISA-N -1 1 337.832 3.572 20 0 EHADMM Cc1cc2cc(CN=c3[n-]ncn3Cc3ccccc3)oc2cc1C ZINC000548616596 1024762462 /nfs/dbraw/zinc/76/24/62/1024762462.db2.gz KGBIXWCWWFKSLS-UHFFFAOYSA-N -1 1 332.407 3.723 20 0 EHADMM COc1ccc(C(C)(C)CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000729528959 1024765985 /nfs/dbraw/zinc/76/59/85/1024765985.db2.gz MUURUIPPRPZXTK-UHFFFAOYSA-N -1 1 333.815 3.762 20 0 EHADMM Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c([O-])c1 ZINC000330325068 1024781912 /nfs/dbraw/zinc/78/19/12/1024781912.db2.gz UJXCHKXAUFJSLO-CQSZACIVSA-N -1 1 337.379 3.604 20 0 EHADMM CSCCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435433311 1024904608 /nfs/dbraw/zinc/90/46/08/1024904608.db2.gz RDYSEQAAEWDKRR-UHFFFAOYSA-N -1 1 346.276 3.554 20 0 EHADMM CC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCC1 ZINC000435420120 1024909298 /nfs/dbraw/zinc/90/92/98/1024909298.db2.gz BTPWTDIDHFTCRV-UHFFFAOYSA-N -1 1 326.220 3.744 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c(Cl)c1 ZINC000474417356 1024921709 /nfs/dbraw/zinc/92/17/09/1024921709.db2.gz WUDRPIHPWSNEFN-UHFFFAOYSA-N -1 1 339.848 3.830 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc(C)c1F ZINC000474431204 1024957204 /nfs/dbraw/zinc/95/72/04/1024957204.db2.gz JQEWZVNYKIXPBG-UHFFFAOYSA-N -1 1 337.420 3.624 20 0 EHADMM O=C(NCc1cc(F)c(Cl)cc1F)c1c(F)ccc([O-])c1F ZINC000582030229 1025057699 /nfs/dbraw/zinc/05/76/99/1025057699.db2.gz IRHFGGFHIKFCME-UHFFFAOYSA-N -1 1 333.668 3.532 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)cc1 ZINC000442227431 1025211870 /nfs/dbraw/zinc/21/18/70/1025211870.db2.gz DXOXVNFRGGXCMY-UHFFFAOYSA-N -1 1 337.828 3.960 20 0 EHADMM CCOc1cc(-c2noc(/C=C\[C@@H]3CCOC3)n2)cc(Cl)c1[O-] ZINC000515462382 1025258794 /nfs/dbraw/zinc/25/87/94/1025258794.db2.gz HUJHFQQHXGFAGF-UMBAGQNISA-N -1 1 336.775 3.544 20 0 EHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1 ZINC000508392614 1025333126 /nfs/dbraw/zinc/33/31/26/1025333126.db2.gz XPGABZBDRRNGEP-UHFFFAOYSA-N -1 1 341.436 3.797 20 0 EHADMM O=C(NCCc1c[nH]c2cc(F)ccc12)c1c([O-])cccc1Cl ZINC000051462516 1025404831 /nfs/dbraw/zinc/40/48/31/1025404831.db2.gz GFBJEDPPGJUYGL-UHFFFAOYSA-N -1 1 332.762 3.639 20 0 EHADMM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000098109310 1025422944 /nfs/dbraw/zinc/42/29/44/1025422944.db2.gz RBGNAHPKHFTNSI-AWEZNQCLSA-N -1 1 327.380 3.592 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC2=O ZINC000451083850 1025523602 /nfs/dbraw/zinc/52/36/02/1025523602.db2.gz WSXPYLUTEZUAGF-UHFFFAOYSA-N -1 1 329.421 3.569 20 0 EHADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2O1 ZINC000442838237 1025526655 /nfs/dbraw/zinc/52/66/55/1025526655.db2.gz SCQZZWFAWBRQKJ-KRWDZBQOSA-N -1 1 333.409 3.693 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442844200 1025531924 /nfs/dbraw/zinc/53/19/24/1025531924.db2.gz FSUFXJRCENYWKW-UHFFFAOYSA-N -1 1 329.377 3.826 20 0 EHADMM CCCN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@H]1CCCCO1 ZINC000563277218 1025542178 /nfs/dbraw/zinc/54/21/78/1025542178.db2.gz KXWMNRJRNRAYFK-OAHLLOKOSA-N -1 1 325.836 3.819 20 0 EHADMM COc1cc(C(=O)NC[C@@H](C)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000442980454 1025644738 /nfs/dbraw/zinc/64/47/38/1025644738.db2.gz HRWJFKVXVABCFL-GFCCVEGCSA-N -1 1 333.815 3.896 20 0 EHADMM CCC(CC)[C@@H](CCNC(=O)c1cc(Cl)c([O-])c(OC)c1)OC ZINC000443059327 1025693123 /nfs/dbraw/zinc/69/31/23/1025693123.db2.gz MLKCPAWUCMNKSH-CQSZACIVSA-N -1 1 343.851 3.625 20 0 EHADMM COc1cc(C(=O)Nc2cccc3c2OCCC3)cc(Cl)c1[O-] ZINC000443058176 1025693686 /nfs/dbraw/zinc/69/36/86/1025693686.db2.gz 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1039098839 /nfs/dbraw/zinc/09/88/39/1039098839.db2.gz UEXXEUCPMKUENO-SCSAIBSYSA-N -1 1 335.214 3.510 20 0 EHADMM Cc1oc(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc1C(=O)[O-] ZINC000905773796 1039099056 /nfs/dbraw/zinc/09/90/56/1039099056.db2.gz HGSDRJRLRKZQHL-HXUWFJFHSA-N -1 1 339.391 3.727 20 0 EHADMM CCOc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)cc(Cl)c1[O-] ZINC000364015356 1039402519 /nfs/dbraw/zinc/40/25/19/1039402519.db2.gz PZCYAJYZYSYWQM-OAHLLOKOSA-N -1 1 346.814 3.817 20 0 EHADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000911601759 1039429438 /nfs/dbraw/zinc/42/94/38/1039429438.db2.gz RSIQOUZTPLLZNO-KRWDZBQOSA-N -1 1 347.418 3.593 20 0 EHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(COC)cc2)c1 ZINC000552827266 1039553443 /nfs/dbraw/zinc/55/34/43/1039553443.db2.gz PQCDWCRREIKURC-AWEZNQCLSA-N -1 1 349.452 3.811 20 0 EHADMM CCc1ccc(O)c([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000549721010 1039724494 /nfs/dbraw/zinc/72/44/94/1039724494.db2.gz FBQCPWKGXBIXJN-UHFFFAOYSA-N -1 1 325.817 3.550 20 0 EHADMM C[C@H](c1ccccc1)N1CC[C@H](N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000489359496 1039897459 /nfs/dbraw/zinc/89/74/59/1039897459.db2.gz HWSITHGOQBDHNE-HIFRSBDPSA-N -1 1 330.501 3.505 20 0 EHADMM CCn1nccc1CN[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000417569831 1040004176 /nfs/dbraw/zinc/00/41/76/1040004176.db2.gz VJDROQXFPUKVJP-CQSZACIVSA-N -1 1 342.226 3.515 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)cc1Cl ZINC000479140562 1040010222 /nfs/dbraw/zinc/01/02/22/1040010222.db2.gz XWHRXKSBQUYUFC-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM CCOC[C@H](NCc1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000417606539 1040058347 /nfs/dbraw/zinc/05/83/47/1040058347.db2.gz KFIVADCAKPNADN-AWEZNQCLSA-N -1 1 339.844 3.648 20 0 EHADMM Cc1c2ccc(F)cc2sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000479407558 1040217922 /nfs/dbraw/zinc/21/79/22/1040217922.db2.gz KVVVXWHZYNJCMB-UHFFFAOYSA-N -1 1 344.293 3.738 20 0 EHADMM C/C=C/c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)cc1 ZINC000489951576 1040254086 /nfs/dbraw/zinc/25/40/86/1040254086.db2.gz HAJVWUACIIOTGD-XVNBXDOJSA-N -1 1 344.436 3.734 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479489695 1040320601 /nfs/dbraw/zinc/32/06/01/1040320601.db2.gz MZYDAZYOEYMNIF-UHFFFAOYSA-N -1 1 348.449 3.884 20 0 EHADMM Cc1ccc2c(c1)SCCCN2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908278663 1040382262 /nfs/dbraw/zinc/38/22/62/1040382262.db2.gz JIMYSRGXJFPCBJ-UHFFFAOYSA-N -1 1 341.436 3.511 20 0 EHADMM CC(C)c1c(Cc2ccccc2)[n-]n(C2C[C@@H](C)O[C@H](C)C2)c1=O ZINC000899359563 1040384466 /nfs/dbraw/zinc/38/44/66/1040384466.db2.gz BTTQGMPSEJAGNZ-SPYBWZPUSA-N -1 1 328.456 3.656 20 0 EHADMM CCc1c(C)[n-]n(-c2nc(C)nc3sc4c(c32)CCCC4)c1=O ZINC000614184417 1040405405 /nfs/dbraw/zinc/40/54/05/1040405405.db2.gz ARVKKGGGUIZJJC-NSHDSACASA-N -1 1 328.441 3.627 20 0 EHADMM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000555423931 1040560598 /nfs/dbraw/zinc/56/05/98/1040560598.db2.gz AWRSAKGVPRHAAP-GFCCVEGCSA-N -1 1 340.349 3.667 20 0 EHADMM Cc1nc(C2CC2)ccc1C(=O)Nc1cccc([O-])c1Br ZINC000908708231 1040601549 /nfs/dbraw/zinc/60/15/49/1040601549.db2.gz RSNVDGSFHZRYMG-UHFFFAOYSA-N -1 1 347.212 3.988 20 0 EHADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1cccc([O-])c1Br ZINC000908708107 1040601653 /nfs/dbraw/zinc/60/16/53/1040601653.db2.gz PMPOBEYZZGFCJR-QMMMGPOBSA-N -1 1 334.160 3.919 20 0 EHADMM CCC[C@H]1C[C@@H](C(=O)Nc2cccc([O-])c2Br)CCO1 ZINC000908710477 1040605711 /nfs/dbraw/zinc/60/57/11/1040605711.db2.gz RFLGMQVQZCXOBN-QWRGUYRKSA-N -1 1 342.233 3.689 20 0 EHADMM CC(C)CCO[C@@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908716690 1040610891 /nfs/dbraw/zinc/61/08/91/1040610891.db2.gz KVYHJNDBAPSNOL-JTQLQIEISA-N -1 1 330.222 3.544 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)c([O-])c1 ZINC000913235617 1040670398 /nfs/dbraw/zinc/67/03/98/1040670398.db2.gz WHUIJIPWSLLSLA-KRWDZBQOSA-N -1 1 338.407 3.719 20 0 EHADMM CC(C)n1nc2c(c1NC(=O)Nc1ccc([O-])c(Cl)c1)CCC2 ZINC000487228104 1040816070 /nfs/dbraw/zinc/81/60/70/1040816070.db2.gz 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UZILHQGBROHJOX-UHFFFAOYSA-N -1 1 331.362 3.911 20 0 EHADMM COC(=O)c1csc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192235914 1126784691 /nfs/dbraw/zinc/78/46/91/1126784691.db2.gz PGPCQEOOABVLMW-UHFFFAOYSA-N -1 1 326.761 3.538 20 0 EHADMM Cc1nc([C@@H]2CCCO2)sc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350585190 1127088774 /nfs/dbraw/zinc/08/87/74/1127088774.db2.gz ATWMUKMOZFPQJD-LBPRGKRZSA-N -1 1 347.371 3.865 20 0 EHADMM COc1cc(C(=O)N2CCc3ccsc3[C@@H]2C)cc(Cl)c1[O-] ZINC000921503195 1127089779 /nfs/dbraw/zinc/08/97/79/1127089779.db2.gz FEYWTVKVRRPNGD-VIFPVBQESA-N -1 1 337.828 3.875 20 0 EHADMM CCOc1cc(-c2noc([C@H]3CCOC[C@H]3C)n2)cc(Cl)c1[O-] ZINC000350614482 1127093332 /nfs/dbraw/zinc/09/33/32/1127093332.db2.gz UNDQXEOLYYRUPG-KOLCDFICSA-N -1 1 338.791 3.634 20 0 EHADMM CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])[C@@H]2CCC[C@H]21 ZINC000381111780 1127475794 /nfs/dbraw/zinc/47/57/94/1127475794.db2.gz JCUMFJXFQPOLER-CHWSQXEVSA-N -1 1 338.245 3.805 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1F ZINC000024244716 1127703686 /nfs/dbraw/zinc/70/36/86/1127703686.db2.gz YZVCPHTWSPMQME-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)c([O-])c1 ZINC000031205471 1127830827 /nfs/dbraw/zinc/83/08/27/1127830827.db2.gz HXXJTDKMKTUVKH-UHFFFAOYSA-N -1 1 327.380 3.975 20 0 EHADMM NC(=O)c1cc(-c2csc(-c3ccc(Cl)s3)n2)ccc1[O-] ZINC000063630464 1128149762 /nfs/dbraw/zinc/14/97/62/1128149762.db2.gz UPPHZFCCLOLPHG-UHFFFAOYSA-N -1 1 336.825 3.997 20 0 EHADMM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1c([O-])cccc1Cl ZINC000765843958 1128546930 /nfs/dbraw/zinc/54/69/30/1128546930.db2.gz UQCQMYRLPKMAEZ-BBRMVZONSA-N -1 1 331.799 3.696 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)ccc2o1 ZINC000074838127 1128827828 /nfs/dbraw/zinc/82/78/28/1128827828.db2.gz ZNHUDXSIWCOQKX-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM CC(C)(C)c1nc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cs1 ZINC000338747082 1128828151 /nfs/dbraw/zinc/82/81/51/1128828151.db2.gz ZREANIFBQBOBBI-UHFFFAOYSA-N -1 1 332.454 3.566 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(-c2cccc(F)c2)n1 ZINC000111666377 1128879857 /nfs/dbraw/zinc/87/98/57/1128879857.db2.gz MDRPZGZRSRQGEH-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM CN(C)c1nc(CNCc2cc(Cl)cc(Cl)c2[O-])cs1 ZINC000080245796 1120032609 /nfs/dbraw/zinc/03/26/09/1120032609.db2.gz MRIBWHYXYBDNOV-UHFFFAOYSA-N -1 1 332.256 3.511 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@H]1C[C@@H]1Cc1ccccc1 ZINC001648799998 1120040462 /nfs/dbraw/zinc/04/04/62/1120040462.db2.gz ZIHNFURAPMVFFZ-JKSUJKDBSA-N -1 1 329.827 3.583 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCC[C@H]2C[C@H]21)c1cc(Cl)sc1Cl ZINC001670409794 1120070244 /nfs/dbraw/zinc/07/02/44/1120070244.db2.gz YZBWVVLYMQDUOB-XHNCKOQMSA-N -1 1 340.297 3.769 20 0 EHADMM Cc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001670684449 1120101202 /nfs/dbraw/zinc/10/12/02/1120101202.db2.gz FALKIRPIUAFBIS-SNVBAGLBSA-N -1 1 345.798 3.966 20 0 EHADMM CCCCS(=O)(=O)[N-]c1cccc2cc(Br)cnc21 ZINC000227865152 1120189017 /nfs/dbraw/zinc/18/90/17/1120189017.db2.gz NXFWHIWJTOMMFU-UHFFFAOYSA-N -1 1 343.246 3.539 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1Cl ZINC000185627879 1120422369 /nfs/dbraw/zinc/42/23/69/1120422369.db2.gz GWXYLLUPOGHYKQ-UHFFFAOYSA-N -1 1 345.877 3.709 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1O ZINC000189300678 1120575930 /nfs/dbraw/zinc/57/59/30/1120575930.db2.gz POBDZWRZPMXACC-UHFFFAOYSA-N -1 1 345.342 3.606 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)nc1 ZINC000190414960 1120637153 /nfs/dbraw/zinc/63/71/53/1120637153.db2.gz JOLDPAFAZVDLMK-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM COC(=O)c1ccc(C)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192170140 1120721849 /nfs/dbraw/zinc/72/18/49/1120721849.db2.gz ZMCKQRMDMDERGQ-UHFFFAOYSA-N -1 1 334.759 3.785 20 0 EHADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1cccc(C)c1)C(C)(C)C ZINC000494777055 1120800070 /nfs/dbraw/zinc/80/00/70/1120800070.db2.gz IUEACEATOUEXEY-MRXNPFEDSA-N -1 1 336.457 3.666 20 0 EHADMM CCOc1ccc(CN(C(=O)c2ncc(C)cc2[O-])C(C)C)cc1 ZINC000494840226 1120881650 /nfs/dbraw/zinc/88/16/50/1120881650.db2.gz ZKUXOQVACRYRNT-UHFFFAOYSA-N -1 1 328.412 3.545 20 0 EHADMM CC(C)N(Cc1cccc(Br)c1)C(=O)c1ncccc1[O-] ZINC000495110468 1120958548 /nfs/dbraw/zinc/95/85/48/1120958548.db2.gz IJRRUTTWJIWJEF-UHFFFAOYSA-N -1 1 349.228 3.601 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)cc(Cl)c1[O-] ZINC000495169681 1120978130 /nfs/dbraw/zinc/97/81/30/1120978130.db2.gz BDFWDVWWUHLBOV-QLJPJBMISA-N -1 1 347.798 3.696 20 0 EHADMM Cc1ccc(C=CS(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC000761841219 1120984333 /nfs/dbraw/zinc/98/43/33/1120984333.db2.gz RSZKZRNIVIUASU-ZHACJKMWSA-N -1 1 331.441 3.788 20 0 EHADMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(C3OCCO3)c2)n1 ZINC000153404309 1121042314 /nfs/dbraw/zinc/04/23/14/1121042314.db2.gz XFDYPKZYPLHIKD-AWEZNQCLSA-N -1 1 342.420 3.802 20 0 EHADMM CC(C)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000231677505 1121047670 /nfs/dbraw/zinc/04/76/70/1121047670.db2.gz DDPROFPTJWXGPN-UHFFFAOYSA-N -1 1 326.234 3.663 20 0 EHADMM C[C@@H]1CC(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)C[C@@H](C)C1 ZINC001212449967 1128961434 /nfs/dbraw/zinc/96/14/34/1128961434.db2.gz FZPQTKJRMAFHKP-QWRGUYRKSA-N -1 1 333.856 3.830 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[nH]c2cccc(F)c12 ZINC000762214834 1121183158 /nfs/dbraw/zinc/18/31/58/1121183158.db2.gz XUAXBOCFECQDFV-UHFFFAOYSA-N -1 1 336.326 3.655 20 0 EHADMM O=S(=O)([N-]Cc1ccccc1)c1c(Cl)cccc1C(F)(F)F ZINC000303839815 1121187236 /nfs/dbraw/zinc/18/72/36/1121187236.db2.gz QCBFVXIHQFKLLU-UHFFFAOYSA-N -1 1 349.761 3.837 20 0 EHADMM CCSc1nnc(SC[C@H](C)C(=O)c2ccc([O-])cc2)s1 ZINC000915452797 1121406737 /nfs/dbraw/zinc/40/67/37/1121406737.db2.gz SEISUKWPJKDBHO-VIFPVBQESA-N -1 1 340.495 3.967 20 0 EHADMM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@H]1C ZINC000495896682 1121561845 /nfs/dbraw/zinc/56/18/45/1121561845.db2.gz QRZLNPQZWKNUQB-UPJWGTAASA-N -1 1 348.443 3.856 20 0 EHADMM CC1=C(C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000496005227 1121605994 /nfs/dbraw/zinc/60/59/94/1121605994.db2.gz NXRNRMGDRONKPK-UHFFFAOYSA-N -1 1 346.427 3.922 20 0 EHADMM CC(C)C(C)(C)SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000762971942 1121630134 /nfs/dbraw/zinc/63/01/34/1121630134.db2.gz HKEAYDSSIHBBAB-UHFFFAOYSA-N -1 1 345.411 3.712 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc([C@H]2CSc3ccccc3O2)no1 ZINC000322887103 1121680394 /nfs/dbraw/zinc/68/03/94/1121680394.db2.gz CFAJSBLCGOLPSB-CYBMUJFWSA-N -1 1 330.340 3.807 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(COc2ccccc2)CC1 ZINC000055423422 1121823668 /nfs/dbraw/zinc/82/36/68/1121823668.db2.gz ZSKVODUYJFPZOZ-UHFFFAOYSA-N -1 1 345.826 3.977 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1 ZINC000055598426 1121843911 /nfs/dbraw/zinc/84/39/11/1121843911.db2.gz DKELFJDVTKGDTB-UHFFFAOYSA-N -1 1 327.352 3.651 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000055976085 1121902603 /nfs/dbraw/zinc/90/26/03/1121902603.db2.gz IBVKQCWTFWLHCC-UHFFFAOYSA-N -1 1 328.397 3.743 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1OC ZINC000032532667 1121958345 /nfs/dbraw/zinc/95/83/45/1121958345.db2.gz GZQZDAGOROYIOO-UHFFFAOYSA-N -1 1 341.454 3.573 20 0 EHADMM CC[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000496200535 1121996980 /nfs/dbraw/zinc/99/69/80/1121996980.db2.gz ZYLWCOWWTSUYOQ-LLVKDONJSA-N -1 1 337.351 3.557 20 0 EHADMM CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CC(C)(C)C1 ZINC000496611568 1122133944 /nfs/dbraw/zinc/13/39/44/1122133944.db2.gz YCONMMPOCLGGRV-UHFFFAOYSA-N -1 1 348.443 4.000 20 0 EHADMM CCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1C ZINC000067499988 1122518337 /nfs/dbraw/zinc/51/83/37/1122518337.db2.gz WMIBXSIDHBHZDV-UHFFFAOYSA-N -1 1 342.395 3.700 20 0 EHADMM Cc1[n-]n(-c2nc(C)nc3sc(-c4ccccc4)cc32)c(=O)c1F ZINC000917347744 1122583666 /nfs/dbraw/zinc/58/36/66/1122583666.db2.gz KBOKWNRWPYWQLY-CQSZACIVSA-N -1 1 340.383 3.727 20 0 EHADMM O=C(Nc1cccc(-c2nnco2)c1)c1cc2ccccc2cc1[O-] ZINC000130094957 1122883858 /nfs/dbraw/zinc/88/38/58/1122883858.db2.gz WFHSWMAZHGNNSO-UHFFFAOYSA-N -1 1 331.331 3.848 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC001212480757 1129086732 /nfs/dbraw/zinc/08/67/32/1129086732.db2.gz GQHVIJFCIJLYAP-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM CCCSCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000556846952 1123148918 /nfs/dbraw/zinc/14/89/18/1123148918.db2.gz MQXBYEGGZCZJTG-UHFFFAOYSA-N -1 1 338.654 3.890 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000672901298 1129103255 /nfs/dbraw/zinc/10/32/55/1129103255.db2.gz KSGIRJIUUDQMFD-UHFFFAOYSA-N -1 1 349.268 3.771 20 0 EHADMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1c([O-])cccc1Cl ZINC000920464696 1123371467 /nfs/dbraw/zinc/37/14/67/1123371467.db2.gz QTMHAOATYKZXOS-RDTXWAMCSA-N -1 1 345.826 3.943 20 0 EHADMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1c([O-])cccc1Cl ZINC000920462653 1123372183 /nfs/dbraw/zinc/37/21/83/1123372183.db2.gz GBXPEYACSWPXLZ-LBPRGKRZSA-N -1 1 338.190 3.953 20 0 EHADMM CN(CCOc1ccccc1Cl)C(=O)c1c([O-])cccc1Cl ZINC000920432544 1123373277 /nfs/dbraw/zinc/37/32/77/1123373277.db2.gz SCQKGYXOYMRSDM-UHFFFAOYSA-N -1 1 340.206 3.850 20 0 EHADMM O=S(=O)([N-][C@H]1CCCC12CCCCC2)c1ccc(F)c(F)c1F ZINC001212487501 1129120520 /nfs/dbraw/zinc/12/05/20/1129120520.db2.gz AVIYPBFMXUQANS-ZDUSSCGKSA-N -1 1 347.402 3.885 20 0 EHADMM CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000134954029 1123568589 /nfs/dbraw/zinc/56/85/89/1123568589.db2.gz LBTHDWAGLDMTEB-UHFFFAOYSA-N -1 1 348.786 3.655 20 0 EHADMM Cc1cc([C@H]2CN(C(=O)c3ccc(Cl)cc3[O-])CCO2)ccc1F ZINC000135264944 1123596100 /nfs/dbraw/zinc/59/61/00/1123596100.db2.gz HVJKPKNKNYTAKV-QGZVFWFLSA-N -1 1 349.789 3.707 20 0 EHADMM Cn1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc2ccccc21 ZINC000615439732 1123799790 /nfs/dbraw/zinc/79/97/90/1123799790.db2.gz FUQPJQCRYNWYAA-UHFFFAOYSA-N -1 1 332.363 3.526 20 0 EHADMM O=S(=O)([N-]C1(c2cccc(F)c2)CCC1)c1cc2ccccc2o1 ZINC001212270669 1123825270 /nfs/dbraw/zinc/82/52/70/1123825270.db2.gz ZNRRGXYHJVMBNS-UHFFFAOYSA-N -1 1 345.395 3.930 20 0 EHADMM Cc1sc(CC(=O)N=c2cc(-c3cccs3)[n-][nH]2)nc1C(C)C ZINC000616331483 1123984189 /nfs/dbraw/zinc/98/41/89/1123984189.db2.gz FLJAKFGCOMKPBC-UHFFFAOYSA-N -1 1 346.481 3.630 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2cc(F)ccc2F)n1 ZINC000078546253 1129161171 /nfs/dbraw/zinc/16/11/71/1129161171.db2.gz CBTWQVUROFJGGB-VIFPVBQESA-N -1 1 338.379 3.776 20 0 EHADMM O=C(Nc1ccc(C2CC2)cc1)c1[n-]cnc1C(=O)c1ccccc1 ZINC000673047843 1129162565 /nfs/dbraw/zinc/16/25/65/1129162565.db2.gz IKEQRADDRMRRAS-UHFFFAOYSA-N -1 1 331.375 3.770 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cc2ccccc2o1 ZINC000084938398 1124605815 /nfs/dbraw/zinc/60/58/15/1124605815.db2.gz IQPBLJQMCLWFTM-UHFFFAOYSA-N -1 1 331.368 3.540 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)[C@H]2CCCC[C@@H]12 ZINC000248384090 1124654154 /nfs/dbraw/zinc/65/41/54/1124654154.db2.gz CORAEDWJRDDWPU-OSMZGAPFSA-N -1 1 338.245 3.805 20 0 EHADMM CCc1ccc([C@H]2CN(Cc3ccc(C(=O)[O-])cc3)CCO2)cc1 ZINC000263578902 1124681019 /nfs/dbraw/zinc/68/10/19/1124681019.db2.gz TYGCPYUCGLJQSH-LJQANCHMSA-N -1 1 325.408 3.521 20 0 EHADMM CCCCCC[C@@H](CC)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000735055680 1131304569 /nfs/dbraw/zinc/30/45/69/1131304569.db2.gz LNBIJCGURUMNDZ-OAHLLOKOSA-N -1 1 346.475 3.665 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1C ZINC000091019275 1124949841 /nfs/dbraw/zinc/94/98/41/1124949841.db2.gz BCMHQDSBRRZCID-UHFFFAOYSA-N -1 1 347.436 3.786 20 0 EHADMM CCc1ccc(CN(C)Cn2[n-]c(-c3ccccn3)nc2=S)cc1 ZINC000735294666 1131328727 /nfs/dbraw/zinc/32/87/27/1131328727.db2.gz CXQCQWHJPOHMOX-UHFFFAOYSA-N -1 1 339.468 3.655 20 0 EHADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)cc1F ZINC000618392062 1125066366 /nfs/dbraw/zinc/06/63/66/1125066366.db2.gz KBCQPAGKRDCUSW-INIZCTEOSA-N -1 1 333.334 3.656 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC([C@H]2CCCCO2)CC1 ZINC000619168828 1125300215 /nfs/dbraw/zinc/30/02/15/1125300215.db2.gz GAQZLPSNTPRNKU-LJQANCHMSA-N -1 1 339.435 3.967 20 0 EHADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582506 1125368050 /nfs/dbraw/zinc/36/80/50/1125368050.db2.gz WKHAVBFZWBOPLE-AAEUAGOBSA-N -1 1 333.375 3.815 20 0 EHADMM N#CC(=C([O-])c1cccc(Cl)n1)c1nc2ccccc2n1C(F)F ZINC000182852660 1125382854 /nfs/dbraw/zinc/38/28/54/1125382854.db2.gz HNQYWCDZXCBGGE-SECBINFHSA-N -1 1 346.724 3.970 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccc(F)cc1Br ZINC000078807020 1129199251 /nfs/dbraw/zinc/19/92/51/1129199251.db2.gz JEAYRKLTSXGGOQ-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)CCO2 ZINC000069446861 1129451742 /nfs/dbraw/zinc/45/17/42/1129451742.db2.gz YLBVPKOBXUYQSS-UHFFFAOYSA-N -1 1 325.389 3.576 20 0 EHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(-c2cccnc2)s1 ZINC000543390164 1129451995 /nfs/dbraw/zinc/45/19/95/1129451995.db2.gz IXBPIJYIMQOBID-UHFFFAOYSA-N -1 1 326.381 3.631 20 0 EHADMM CCCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H](C)c1ccccc1 ZINC000124144420 1129584181 /nfs/dbraw/zinc/58/41/81/1129584181.db2.gz DVAVUUFJNNWHOW-OAHLLOKOSA-N -1 1 349.434 3.927 20 0 EHADMM Oc1cccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c1Cl ZINC000509039492 1129685005 /nfs/dbraw/zinc/68/50/05/1129685005.db2.gz RFJCBHZLDANYFB-QGZVFWFLSA-N -1 1 331.843 3.879 20 0 EHADMM Cc1ccc2c(CSc3nc(C)c(C)c(=O)[n-]3)ccc(O)c2n1 ZINC000509090077 1129736056 /nfs/dbraw/zinc/73/60/56/1129736056.db2.gz OCZRVZUQZMPEQL-UHFFFAOYSA-N -1 1 327.409 3.654 20 0 EHADMM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000243531497 1130065010 /nfs/dbraw/zinc/06/50/10/1130065010.db2.gz ODQXQPUXWMOMGX-UHFFFAOYSA-N -1 1 346.452 3.743 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)CC=Cc2ccc(C(C)C)cc2)n1 ZINC001128846765 1130206732 /nfs/dbraw/zinc/20/67/32/1130206732.db2.gz GXKXKZHFQGHOPO-AATRIKPKSA-N -1 1 341.411 3.752 20 0 EHADMM CCC[C@@H](NC(=O)c1sc2cccc(C)c2c1Cl)c1nn[n-]n1 ZINC000675145190 1130266221 /nfs/dbraw/zinc/26/62/21/1130266221.db2.gz JHMNKHPJASPOCR-SECBINFHSA-N -1 1 349.847 3.647 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)c1CC ZINC000486101838 1130458595 /nfs/dbraw/zinc/45/85/95/1130458595.db2.gz ZVZFNLCUZXUBNG-UHFFFAOYSA-N -1 1 347.480 3.801 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000740921511 1131558530 /nfs/dbraw/zinc/55/85/30/1131558530.db2.gz RMRCJBMJVWVMAX-UHFFFAOYSA-N -1 1 334.416 3.802 20 0 EHADMM COc1cccc(-c2noc([N-]Cc3nc(C)c4ccccc4n3)n2)c1 ZINC000742400615 1131725570 /nfs/dbraw/zinc/72/55/70/1131725570.db2.gz HOAHNHWDVIFBAC-UHFFFAOYSA-N -1 1 347.378 3.609 20 0 EHADMM COc1cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)ccc1Cl ZINC001212689888 1131900835 /nfs/dbraw/zinc/90/08/35/1131900835.db2.gz RJWWQMDIIAJZCC-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM COc1cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)ccc1Cl ZINC001212689888 1131900842 /nfs/dbraw/zinc/90/08/42/1131900842.db2.gz RJWWQMDIIAJZCC-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000743814676 1131979287 /nfs/dbraw/zinc/97/92/87/1131979287.db2.gz ACUXXSOVBZKTFI-LBPRGKRZSA-N -1 1 341.798 3.722 20 0 EHADMM CCc1noc([C@@H](C)OC(=O)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000744978337 1132174706 /nfs/dbraw/zinc/17/47/06/1132174706.db2.gz PODREFLTAGHUMD-ZCFIWIBFSA-N -1 1 331.155 3.562 20 0 EHADMM CCc1cc2c(COC(=O)[C@@H]3CCC[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000745161379 1132208191 /nfs/dbraw/zinc/20/81/91/1132208191.db2.gz WVKYYYDNBZPHHI-TZMCWYRMSA-N -1 1 344.407 3.931 20 0 EHADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)c1ccc2ccccc2c1 ZINC000745523172 1132260599 /nfs/dbraw/zinc/26/05/99/1132260599.db2.gz UPFBPYSNMWJVKN-UHFFFAOYSA-N -1 1 342.297 3.863 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cccc(F)c1Cl ZINC000745654563 1132290190 /nfs/dbraw/zinc/29/01/90/1132290190.db2.gz JORIYLFNYJVCAS-UHFFFAOYSA-N -1 1 348.713 3.648 20 0 EHADMM Cc1ccc(CCC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(C)c1 ZINC001168913397 1132603955 /nfs/dbraw/zinc/60/39/55/1132603955.db2.gz AFKULRYXVTUWCA-UHFFFAOYSA-N -1 1 335.407 3.766 20 0 EHADMM Cc1[nH]c2ccc(C(=O)Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc2c1C ZINC001168913830 1132604839 /nfs/dbraw/zinc/60/48/39/1132604839.db2.gz GKOSLLUOUMKQCN-UHFFFAOYSA-N -1 1 346.390 3.928 20 0 EHADMM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1C ZINC001168922570 1132606269 /nfs/dbraw/zinc/60/62/69/1132606269.db2.gz OSJKEQYDSAPUJI-RBUKOAKNSA-N -1 1 347.418 3.937 20 0 EHADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cccc3ccsc32)c1 ZINC001175385708 1132656908 /nfs/dbraw/zinc/65/69/08/1132656908.db2.gz GMPPJDMYIBJELI-UHFFFAOYSA-N -1 1 348.405 3.617 20 0 EHADMM Cc1cc(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)ccc1F ZINC000103100073 1132682061 /nfs/dbraw/zinc/68/20/61/1132682061.db2.gz FLHLEPJXCIPTPP-UHFFFAOYSA-N -1 1 348.428 3.755 20 0 EHADMM Cc1ccc2[nH]ncc2c1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001175526374 1132700919 /nfs/dbraw/zinc/70/09/19/1132700919.db2.gz NCSVLPFPPDQMDS-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM O=C(c1ccc(F)c(Nc2cc([O-])c(F)c(F)c2)c1)N1CCCC1 ZINC001176213368 1132876403 /nfs/dbraw/zinc/87/64/03/1132876403.db2.gz PQBUQSUAKMHUFR-UHFFFAOYSA-N -1 1 336.313 3.789 20 0 EHADMM COC(=O)c1cc(F)c(C)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176674132 1132980234 /nfs/dbraw/zinc/98/02/34/1132980234.db2.gz QZQCBYIIUXJEPL-UHFFFAOYSA-N -1 1 329.249 3.787 20 0 EHADMM COC(=O)[C@H]1CCc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176674849 1132980528 /nfs/dbraw/zinc/98/05/28/1132980528.db2.gz YIJUDPPTSQFEST-NSHDSACASA-N -1 1 337.297 3.756 20 0 EHADMM CC(C)CNC(=O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176673678 1132980870 /nfs/dbraw/zinc/98/08/70/1132980870.db2.gz VYNTWCYAXFSXJO-UHFFFAOYSA-N -1 1 338.329 3.939 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C\SCc2ccco2)c1 ZINC000767387698 1132995072 /nfs/dbraw/zinc/99/50/72/1132995072.db2.gz CWDLPOVLGNQSPC-YFHOEESVSA-N -1 1 346.404 3.721 20 0 EHADMM Cc1nc(CCOC(=O)c2ccc(Cl)c(Cl)c2[O-])cs1 ZINC000767627430 1133024238 /nfs/dbraw/zinc/02/42/38/1133024238.db2.gz GMVNSVVYEOOSJO-UHFFFAOYSA-N -1 1 332.208 3.863 20 0 EHADMM CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000767938485 1133073266 /nfs/dbraw/zinc/07/32/66/1133073266.db2.gz CGVTYZAWCPHIAQ-UHFFFAOYSA-N -1 1 334.372 3.557 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(-n2cnc3ccccc32)nc1 ZINC000768462173 1133144481 /nfs/dbraw/zinc/14/44/81/1133144481.db2.gz KQDQADMNAKSEOB-UHFFFAOYSA-N -1 1 348.337 3.518 20 0 EHADMM O=C(NC[C@H]1CCCC2(CCC2)O1)c1ccc(C(F)(F)F)cc1[O-] ZINC001179552167 1133260959 /nfs/dbraw/zinc/26/09/59/1133260959.db2.gz MUKRJFAIPVAAKA-GFCCVEGCSA-N -1 1 343.345 3.633 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])Cc2ccccc21 ZINC000769613386 1133321728 /nfs/dbraw/zinc/32/17/28/1133321728.db2.gz BOFMCEFBKCTMPC-LLVKDONJSA-N -1 1 346.224 3.914 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1F ZINC000769892609 1133363779 /nfs/dbraw/zinc/36/37/79/1133363779.db2.gz XSHPCNGUEWPHCO-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM O=C(/C=C\c1ccc(Br)o1)Nc1c([O-])cccc1F ZINC000770861432 1133473390 /nfs/dbraw/zinc/47/33/90/1133473390.db2.gz IUPFOLPTOKPCJG-ALCCZGGFSA-N -1 1 326.121 3.539 20 0 EHADMM Cc1c2ccccc2oc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000771574920 1133572970 /nfs/dbraw/zinc/57/29/70/1133572970.db2.gz HTVJOXXRYTZLJY-UHFFFAOYSA-N -1 1 347.168 3.857 20 0 EHADMM CC(C)[C@H](C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1 ZINC001183578577 1133829351 /nfs/dbraw/zinc/82/93/51/1133829351.db2.gz NHNOTEZODIVNMQ-IBGZPJMESA-N -1 1 335.407 3.956 20 0 EHADMM COCCN(Cc1ccc(C)c(C)c1)Cc1ccc([O-])c(F)c1F ZINC001183853585 1133865595 /nfs/dbraw/zinc/86/55/95/1133865595.db2.gz CAKOASODFJCPMZ-UHFFFAOYSA-N -1 1 335.394 3.936 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Nc2c(C)cccc2Cl)c1 ZINC001184534283 1133950048 /nfs/dbraw/zinc/95/00/48/1133950048.db2.gz POXPLCFWGJLEEU-UHFFFAOYSA-N -1 1 334.759 3.785 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1ccc(F)c(F)c1 ZINC001185060233 1134020525 /nfs/dbraw/zinc/02/05/25/1134020525.db2.gz KUTQYDNAVVTHHO-UHFFFAOYSA-N -1 1 330.294 3.500 20 0 EHADMM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC001185262670 1134058786 /nfs/dbraw/zinc/05/87/86/1134058786.db2.gz BQZQXLJNOUSETR-MWLCHTKSSA-N -1 1 337.272 3.636 20 0 EHADMM O=S(=O)([N-]c1ccc(Cc2cccnc2)cc1)c1ccsc1 ZINC001185390444 1134077096 /nfs/dbraw/zinc/07/70/96/1134077096.db2.gz GQCMNZVUPITGHO-UHFFFAOYSA-N -1 1 330.434 3.535 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)ccc1Cl ZINC001185521024 1134102376 /nfs/dbraw/zinc/10/23/76/1134102376.db2.gz KOIIPKBARAXIRN-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM O=C(NC/C(=C/F)CCc1ccc(F)cc1)c1ccc([O-])c(F)c1 ZINC001186234612 1134184751 /nfs/dbraw/zinc/18/47/51/1134184751.db2.gz WDSPKBBQQXDZFC-JLHYYAGUSA-N -1 1 335.325 3.886 20 0 EHADMM Cc1cc(F)c([N-]S(=O)(=O)c2csc3ccccc32)cc1O ZINC001186497791 1134222285 /nfs/dbraw/zinc/22/22/85/1134222285.db2.gz GTXJOZHLKMEHFG-UHFFFAOYSA-N -1 1 337.397 3.855 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)N[C@H]1CCCc2ccccc21 ZINC001186462957 1134225257 /nfs/dbraw/zinc/22/52/57/1134225257.db2.gz JPWUUXIVDKIOFX-SFHVURJKSA-N -1 1 348.406 3.777 20 0 EHADMM Cc1oncc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC001187375801 1134329587 /nfs/dbraw/zinc/32/95/87/1134329587.db2.gz BUWAQZRLNQNLMB-UHFFFAOYSA-N -1 1 341.603 3.744 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3nc(Cl)ccc3[O-])on2)cc1 ZINC000789930161 1134345850 /nfs/dbraw/zinc/34/58/50/1134345850.db2.gz CQABXRCDHOVHHD-UHFFFAOYSA-N -1 1 329.743 3.656 20 0 EHADMM CCCc1c(C(=O)Nc2nc(Cl)ccc2[O-])cnn1C1CCCC1 ZINC000790047201 1134364676 /nfs/dbraw/zinc/36/46/76/1134364676.db2.gz AIPSAHLBCWDYEA-UHFFFAOYSA-N -1 1 348.834 3.957 20 0 EHADMM CSc1ccc(NC(=O)Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001188086405 1134426558 /nfs/dbraw/zinc/42/65/58/1134426558.db2.gz XXOFWHXPRSWXBJ-UHFFFAOYSA-N -1 1 342.376 3.865 20 0 EHADMM Cc1ccc2nc(NC(=O)c3ncc(C(F)(F)F)[n-]3)sc2c1 ZINC001188278700 1134449587 /nfs/dbraw/zinc/44/95/87/1134449587.db2.gz UFNXGEXZUGROHF-UHFFFAOYSA-N -1 1 326.303 3.599 20 0 EHADMM Cc1ccc2nc(NC(=O)c3nc(C(F)(F)F)c[n-]3)sc2c1 ZINC001188278700 1134449590 /nfs/dbraw/zinc/44/95/90/1134449590.db2.gz UFNXGEXZUGROHF-UHFFFAOYSA-N -1 1 326.303 3.599 20 0 EHADMM COc1ccc(OC)c(NC(=O)Nc2cc([O-])c(Cl)cc2F)c1 ZINC001188341763 1134453184 /nfs/dbraw/zinc/45/31/84/1134453184.db2.gz XFEHZFFJBUENMQ-UHFFFAOYSA-N -1 1 340.738 3.846 20 0 EHADMM O=C(c1cc(Nc2ccnc(Cl)c2[O-])ccc1F)N1CCCC1 ZINC001188440795 1134463544 /nfs/dbraw/zinc/46/35/44/1134463544.db2.gz HHRNGRAQYBFKBT-UHFFFAOYSA-N -1 1 335.766 3.559 20 0 EHADMM COc1ccc(NC(=O)Nc2c(F)cc([O-])cc2F)cc1Cl ZINC001188477151 1134470993 /nfs/dbraw/zinc/47/09/93/1134470993.db2.gz MLAMXGGIPBTKIK-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM O=S(=O)([N-]c1c(Cl)cccc1C(F)(F)F)c1ccoc1 ZINC001188610589 1134482192 /nfs/dbraw/zinc/48/21/92/1134482192.db2.gz RRPCKVSEGPRBGE-UHFFFAOYSA-N -1 1 325.695 3.753 20 0 EHADMM CCOC(=O)c1cc([N-]C(=O)c2nc(Cl)cs2)c(F)cc1C ZINC000791305069 1134527305 /nfs/dbraw/zinc/52/73/05/1134527305.db2.gz JQWPRSRCWKEOTM-UHFFFAOYSA-N -1 1 342.779 3.673 20 0 EHADMM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1ccc2ccccc2n1 ZINC001189064915 1134539704 /nfs/dbraw/zinc/53/97/04/1134539704.db2.gz UXBBFCPIWPSGBU-UHFFFAOYSA-N -1 1 346.839 3.873 20 0 EHADMM O=C(NCC(=O)c1ccc([O-])cc1)Nc1cccc(Cl)c1Cl ZINC001189247498 1134557119 /nfs/dbraw/zinc/55/71/19/1134557119.db2.gz UNPGBPYXKXKWCN-UHFFFAOYSA-N -1 1 339.178 3.703 20 0 EHADMM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC001189320962 1134570754 /nfs/dbraw/zinc/57/07/54/1134570754.db2.gz KTGJSDSFXQJDNW-FZMZJTMJSA-N -1 1 325.405 3.819 20 0 EHADMM O=C([N-]c1nnco1)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001189999233 1134648483 /nfs/dbraw/zinc/64/84/83/1134648483.db2.gz KPTISAZZFLKGQV-UHFFFAOYSA-N -1 1 326.061 3.648 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nc(Br)ccc1F ZINC000792260342 1134675660 /nfs/dbraw/zinc/67/56/60/1134675660.db2.gz WNWXKJVKQOQDGC-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccc(-n2cccc2)nc1 ZINC001190396262 1134690947 /nfs/dbraw/zinc/69/09/47/1134690947.db2.gz ITAFGZVHLLCTBK-UHFFFAOYSA-N -1 1 347.296 3.849 20 0 EHADMM COCCC[C@@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1Cl ZINC000792551950 1134697375 /nfs/dbraw/zinc/69/73/75/1134697375.db2.gz NPXBYPFOTOMWPL-HNNXBMFYSA-N -1 1 347.842 3.813 20 0 EHADMM CSc1ccccc1CN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000792543237 1134703772 /nfs/dbraw/zinc/70/37/72/1134703772.db2.gz RVBDOGFWDDAOLC-UHFFFAOYSA-N -1 1 345.468 3.608 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)ccc1CO)c1ccc(C2CC2)cc1 ZINC001190505470 1134708141 /nfs/dbraw/zinc/70/81/41/1134708141.db2.gz ADZUZSZVCGHZQE-UHFFFAOYSA-N -1 1 337.828 3.511 20 0 EHADMM COc1cc(C(=O)Nc2ccc(C(F)F)nc2)cc(Cl)c1[O-] ZINC001191129572 1134799124 /nfs/dbraw/zinc/79/91/24/1134799124.db2.gz PGJLAPSCDVKEDY-UHFFFAOYSA-N -1 1 328.702 3.639 20 0 EHADMM Cc1nc(SC(F)F)sc1CC(=O)[N-]OCc1ccccc1 ZINC000792852767 1134808623 /nfs/dbraw/zinc/80/86/23/1134808623.db2.gz HMWGTBNYTYDVCU-UHFFFAOYSA-N -1 1 344.408 3.557 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)O)c2)cc1 ZINC001191224548 1134830251 /nfs/dbraw/zinc/83/02/51/1134830251.db2.gz SQQGETYUAMJRQI-AWEZNQCLSA-N -1 1 333.453 3.883 20 0 EHADMM CCCc1ccnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191875158 1134938801 /nfs/dbraw/zinc/93/88/01/1134938801.db2.gz UIGXRRYYAMBPFZ-UHFFFAOYSA-N -1 1 342.823 3.769 20 0 EHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc([O-])c(F)c1F ZINC001192175733 1134981499 /nfs/dbraw/zinc/98/14/99/1134981499.db2.gz VBSLWSJBHOGYCP-UHFFFAOYSA-N -1 1 330.237 3.916 20 0 EHADMM Cc1nc2c(F)cccc2cc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192660940 1135042331 /nfs/dbraw/zinc/04/23/31/1135042331.db2.gz HORYFAKOMSTDQS-UHFFFAOYSA-N -1 1 332.281 3.918 20 0 EHADMM CCCCCOC(=O)Nc1ccc(I)cc1[O-] ZINC001193773738 1135178223 /nfs/dbraw/zinc/17/82/23/1135178223.db2.gz WIVNQUQGBKIIHL-UHFFFAOYSA-N -1 1 349.168 3.736 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c2ccccc12 ZINC001193824973 1135189119 /nfs/dbraw/zinc/18/91/19/1135189119.db2.gz PRWHEMMEKZQUBZ-UHFFFAOYSA-N -1 1 349.415 3.892 20 0 EHADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193824604 1135189299 /nfs/dbraw/zinc/18/92/99/1135189299.db2.gz LVCPQNBZQPVNHK-UHFFFAOYSA-N -1 1 341.432 3.750 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1-c1ccccc1 ZINC001193934552 1135201380 /nfs/dbraw/zinc/20/13/80/1135201380.db2.gz GYRDHSCTILLYDP-UHFFFAOYSA-N -1 1 342.395 3.876 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc(-c2cccs2)cc1 ZINC001194131188 1135230175 /nfs/dbraw/zinc/23/01/75/1135230175.db2.gz NCTYVECRCCAEJO-UHFFFAOYSA-N -1 1 331.418 3.922 20 0 EHADMM O=C([N-]c1noc2cccnc21)c1ccc(C(F)(F)F)c(Cl)n1 ZINC001194382495 1135261365 /nfs/dbraw/zinc/26/13/65/1135261365.db2.gz PFWGIDAPXMYHSW-UHFFFAOYSA-N -1 1 342.664 3.542 20 0 EHADMM O=C(Nc1cc(F)c(Cl)nc1Cl)c1c[n-]c(C(F)(F)F)n1 ZINC001194770599 1135321195 /nfs/dbraw/zinc/32/11/95/1135321195.db2.gz JWABCXWVJRDKPP-UHFFFAOYSA-N -1 1 343.067 3.522 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c(O)c1 ZINC001194864288 1135331303 /nfs/dbraw/zinc/33/13/03/1135331303.db2.gz KIRVZNMWPWURCK-UHFFFAOYSA-N -1 1 349.452 3.689 20 0 EHADMM CC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195073854 1135363690 /nfs/dbraw/zinc/36/36/90/1135363690.db2.gz NUNHCXMSKKKRGG-UHFFFAOYSA-N -1 1 333.913 3.623 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1O ZINC001195155844 1135383424 /nfs/dbraw/zinc/38/34/24/1135383424.db2.gz BAZQFFFKJTXPGO-UHFFFAOYSA-N -1 1 333.409 3.519 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CCC3)c1 ZINC001195159039 1135384869 /nfs/dbraw/zinc/38/48/69/1135384869.db2.gz KTUCCNRQSKTEOH-LJQANCHMSA-N -1 1 345.464 3.981 20 0 EHADMM [O-]c1cc(F)c(NC(=S)NCc2cccc(Cl)c2)cc1F ZINC001195981928 1135496420 /nfs/dbraw/zinc/49/64/20/1135496420.db2.gz KAZVONZSBCCADQ-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM Cc1[nH]nc2cc(NC(=O)c3cc(Cl)c(F)cc3[O-])cc(F)c12 ZINC001196467243 1135564096 /nfs/dbraw/zinc/56/40/96/1135564096.db2.gz OFBNSMNHSVRGKE-UHFFFAOYSA-N -1 1 337.713 3.761 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2C)cc1 ZINC001196519712 1135573093 /nfs/dbraw/zinc/57/30/93/1135573093.db2.gz BBDNZLMIMHLOCZ-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM C[C@@H](CCOCc1ccccc1)NC(=O)c1c([O-])cccc1Cl ZINC000807876140 1135587483 /nfs/dbraw/zinc/58/74/83/1135587483.db2.gz ZQGHBCBMWSSLCF-ZDUSSCGKSA-N -1 1 333.815 3.771 20 0 EHADMM [O-]c1ccc(NC(=S)NCc2ccccc2Cl)c(F)c1F ZINC001196822451 1135619795 /nfs/dbraw/zinc/61/97/95/1135619795.db2.gz RUOUUSBGTCMWCA-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(F)cc(Cl)c1 ZINC001197601491 1135713771 /nfs/dbraw/zinc/71/37/71/1135713771.db2.gz ZNKPWUKIQSADCU-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM O=C([N-]c1ccnc(F)c1F)c1sc2ncccc2c1Cl ZINC001131428662 1135722265 /nfs/dbraw/zinc/72/22/65/1135722265.db2.gz HTMNDHDABDLXPF-UHFFFAOYSA-N -1 1 325.727 3.875 20 0 EHADMM CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2ccccc2[O-])cc1 ZINC000775788504 1135736179 /nfs/dbraw/zinc/73/61/79/1135736179.db2.gz LMRBDSTZFRMDQF-UHFFFAOYSA-N -1 1 335.407 3.633 20 0 EHADMM CC(C)Cc1cccc([N-]S(=O)(=O)c2ccc3nccnc3c2)c1 ZINC001198152774 1135779810 /nfs/dbraw/zinc/77/98/10/1135779810.db2.gz DNHYLMLHTRMJIP-UHFFFAOYSA-N -1 1 341.436 3.629 20 0 EHADMM Cc1oc2cc(O)ccc2c1C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001198612502 1135838654 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O=S(=O)(/C=C\c1ccccc1F)[N-][C@H](c1ccccc1)C(F)F ZINC000814286011 1136434178 /nfs/dbraw/zinc/43/41/78/1136434178.db2.gz VCZMYIGSQOVMSD-JQPIKURYSA-N -1 1 341.354 3.722 20 0 EHADMM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cncc([O-])c1 ZINC000111578273 1136562830 /nfs/dbraw/zinc/56/28/30/1136562830.db2.gz KEYQSUGJJNGXDF-UHFFFAOYSA-N -1 1 331.803 3.683 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)[C@@H]2CCC2(C)C)c1 ZINC000854846414 1136648161 /nfs/dbraw/zinc/64/81/61/1136648161.db2.gz VFEYIBUVFNTRQT-ZDUSSCGKSA-N -1 1 342.361 3.548 20 0 EHADMM C[C@@H](OCC1CC1)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000816590537 1136735090 /nfs/dbraw/zinc/73/50/90/1136735090.db2.gz DETFCURSVVHDPG-SSDOTTSWSA-N -1 1 348.624 3.562 20 0 EHADMM Cc1nc(-c2ccc(CNC(=O)c3ccc(F)c([O-])c3)s2)cs1 ZINC001135756905 1136767494 /nfs/dbraw/zinc/76/74/94/1136767494.db2.gz AYMBTUSSHBVFSF-UHFFFAOYSA-N -1 1 348.424 3.955 20 0 EHADMM O=C([N-]c1cc(F)cc(F)c1F)c1scnc1Br ZINC000817086412 1136777959 /nfs/dbraw/zinc/77/79/59/1136777959.db2.gz 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CC(C)(C)c1csc(C(=O)[N-]c2nc(-c3cccnc3)ns2)n1 ZINC000875500152 1137634354 /nfs/dbraw/zinc/63/43/54/1137634354.db2.gz QXXPUOYIBOQDMT-UHFFFAOYSA-N -1 1 345.453 3.606 20 0 EHADMM CC1(c2nsc([N-]C(=O)c3cc(F)c(Cl)nc3Cl)n2)CC1 ZINC000875883983 1137639860 /nfs/dbraw/zinc/63/98/60/1137639860.db2.gz RCGCRWKPFVTSIQ-UHFFFAOYSA-N -1 1 347.202 3.683 20 0 EHADMM Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(Cl)c2)n1 ZINC000876395335 1137650700 /nfs/dbraw/zinc/65/07/00/1137650700.db2.gz DZOZBOUVCZRAQS-MRXNPFEDSA-N -1 1 345.830 3.796 20 0 EHADMM C[C@H](CN(C)C(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000876394005 1137650715 /nfs/dbraw/zinc/65/07/15/1137650715.db2.gz PMXREFLDFCAETQ-CYBMUJFWSA-N -1 1 332.831 3.991 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nc(Cl)cs2)CC1 ZINC000876557310 1137655422 /nfs/dbraw/zinc/65/54/22/1137655422.db2.gz DQZBDVVWCRSDAH-UHFFFAOYSA-N -1 1 336.844 3.597 20 0 EHADMM CCc1ccc(-c2cc(C(=O)[N-]c3ncn(C(C)(C)C)n3)no2)cc1 ZINC000879454918 1137748266 /nfs/dbraw/zinc/74/82/66/1137748266.db2.gz 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1138076878 /nfs/dbraw/zinc/07/68/78/1138076878.db2.gz BBQPHXCTYKVKAJ-CYBMUJFWSA-N -1 1 332.473 3.722 20 0 EHADMM C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]1c1ccccc1 ZINC000886543525 1138094119 /nfs/dbraw/zinc/09/41/19/1138094119.db2.gz QGECZTYIRMNBCR-LRDDRELGSA-N -1 1 325.437 3.980 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](CSc2ccccc2)C1 ZINC000080032279 1138160280 /nfs/dbraw/zinc/16/02/80/1138160280.db2.gz SRTLNBVRAOXEKW-ZDUSSCGKSA-N -1 1 331.412 3.786 20 0 EHADMM CCCCC1CCC(NC(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000081590698 1138170338 /nfs/dbraw/zinc/17/03/38/1138170338.db2.gz KSLQCSQCJNYATD-UHFFFAOYSA-N -1 1 337.489 3.691 20 0 EHADMM Cc1noc(C(C)C)c1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000264470694 1138527020 /nfs/dbraw/zinc/52/70/20/1138527020.db2.gz SRKPDSHRTJHXTR-UHFFFAOYSA-N -1 1 342.424 3.801 20 0 EHADMM Cc1noc(C)c1[N-]C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000338380912 1138874247 /nfs/dbraw/zinc/87/42/47/1138874247.db2.gz QUHPFAFIOCYCBH-UHFFFAOYSA-N -1 1 335.335 3.945 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2coc(-c3ccccc3)n2)s1 ZINC000152484776 1139095149 /nfs/dbraw/zinc/09/51/49/1139095149.db2.gz DRNZMIROOQUUCQ-UHFFFAOYSA-N -1 1 328.397 3.743 20 0 EHADMM CC(=O)N(Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1)C(C)C ZINC000175240670 1139474835 /nfs/dbraw/zinc/47/48/35/1139474835.db2.gz JKEHPSUMGQYPND-UHFFFAOYSA-N -1 1 344.386 3.541 20 0 EHADMM CCOc1cc2c(cc1NC(=O)c1ccc([O-])cc1F)O[C@H](C)C2 ZINC000181184076 1139891233 /nfs/dbraw/zinc/89/12/33/1139891233.db2.gz UCEDZJJDRCAPAT-SNVBAGLBSA-N -1 1 331.343 3.506 20 0 EHADMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc([O-])cc2F)cc1 ZINC000181246795 1139894670 /nfs/dbraw/zinc/89/46/70/1139894670.db2.gz FGKHVCHMSSCSLV-KXBFYZLASA-N -1 1 343.398 3.737 20 0 EHADMM COc1ccc(N[C@@H](C)c2ccc(C)s2)cc1[N-]S(C)(=O)=O ZINC000182730605 1139989159 /nfs/dbraw/zinc/98/91/59/1139989159.db2.gz SWYYDPDOWMPFFV-NSHDSACASA-N -1 1 340.470 3.610 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](C)c2ncc(C)s2)cc(Cl)c1[O-] ZINC000186852387 1140225050 /nfs/dbraw/zinc/22/50/50/1140225050.db2.gz LDTQRWWQLMGQPT-VIFPVBQESA-N -1 1 340.832 3.700 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000191891498 1140492000 /nfs/dbraw/zinc/49/20/00/1140492000.db2.gz RZQGOODXVLAPJI-UHFFFAOYSA-N -1 1 339.844 3.638 20 0 EHADMM COC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccco1 ZINC000266889469 1140734868 /nfs/dbraw/zinc/73/48/68/1140734868.db2.gz ABTORXWSKLRAJK-LBPRGKRZSA-N -1 1 329.730 3.529 20 0 EHADMM O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)[N-]O[C@H]1CCCCO1 ZINC000268646513 1140967500 /nfs/dbraw/zinc/96/75/00/1140967500.db2.gz QIEQMSKEMDKHMX-UQTJOTSZSA-N -1 1 349.736 3.860 20 0 EHADMM Cc1cnc([C@@H](C)[N-]C(=O)C(F)(F)c2c(F)cccc2F)s1 ZINC000270481890 1141230176 /nfs/dbraw/zinc/23/01/76/1141230176.db2.gz WOSUSJRBTSRSNW-MRVPVSSYSA-N -1 1 332.322 3.699 20 0 EHADMM O=[S@@](C=C([O-])c1ccc[nH]1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000339152321 1141511274 /nfs/dbraw/zinc/51/12/74/1141511274.db2.gz GZUUOKUWGDKGHA-CYFREDJKSA-N -1 1 341.407 3.875 20 0 EHADMM O=C(Nc1ccc(Oc2cccnc2)nc1)c1c(F)ccc([O-])c1F ZINC000348968491 1141617499 /nfs/dbraw/zinc/61/74/99/1141617499.db2.gz SCNWHSLZBZVEQV-UHFFFAOYSA-N -1 1 343.289 3.505 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(Cl)c1 ZINC000016124978 211886620 /nfs/dbraw/zinc/88/66/20/211886620.db2.gz IOTKYHKTGUIAPT-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n[nH]1 ZINC000616438642 479906937 /nfs/dbraw/zinc/90/69/37/479906937.db2.gz MUMKBDFYAKLVEB-APPZFPTMSA-N -1 1 325.290 3.510 20 0 EHADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1C(F)(F)F ZINC000822255131 607310744 /nfs/dbraw/zinc/31/07/44/607310744.db2.gz WQGLUDSNSQKUPM-UHFFFAOYSA-N -1 1 339.346 3.868 20 0 EHADMM CCCOc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821134415 607312504 /nfs/dbraw/zinc/31/25/04/607312504.db2.gz TVCQKIQXPICWMN-UHFFFAOYSA-N -1 1 349.847 3.983 20 0 EHADMM CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000736369417 598246623 /nfs/dbraw/zinc/24/66/23/598246623.db2.gz LXJCNMRLORQAJD-SECBINFHSA-N -1 1 326.857 3.747 20 0 EHADMM CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000736369417 598246626 /nfs/dbraw/zinc/24/66/26/598246626.db2.gz LXJCNMRLORQAJD-SECBINFHSA-N -1 1 326.857 3.747 20 0 EHADMM Cc1ccc(Oc2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)cc1 ZINC000737366054 598336747 /nfs/dbraw/zinc/33/67/47/598336747.db2.gz OIHFZURNPWKEPR-UHFFFAOYSA-N -1 1 345.366 3.501 20 0 EHADMM Cc1ccc(Oc2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)cc1 ZINC000737366054 598336749 /nfs/dbraw/zinc/33/67/49/598336749.db2.gz OIHFZURNPWKEPR-UHFFFAOYSA-N -1 1 345.366 3.501 20 0 EHADMM Cc1cc(C)cc([C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737254797 598426112 /nfs/dbraw/zinc/42/61/12/598426112.db2.gz ZWLHKYCQONUSDL-SECBINFHSA-N -1 1 334.836 3.767 20 0 EHADMM Cc1cc(C)cc([C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737254797 598426114 /nfs/dbraw/zinc/42/61/14/598426114.db2.gz ZWLHKYCQONUSDL-SECBINFHSA-N -1 1 334.836 3.767 20 0 EHADMM CCC[C@H]1CCCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736437621 598613049 /nfs/dbraw/zinc/61/30/49/598613049.db2.gz VWXZSAOBIFKCKY-DTWKUNHWSA-N -1 1 326.857 3.747 20 0 EHADMM CCC[C@H]1CCCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736437621 598613051 /nfs/dbraw/zinc/61/30/51/598613051.db2.gz VWXZSAOBIFKCKY-DTWKUNHWSA-N -1 1 326.857 3.747 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1OC(F)F)c1ccccc1 ZINC000390879621 599782530 /nfs/dbraw/zinc/78/25/30/599782530.db2.gz SYBWYIRBEJEVCO-AWEZNQCLSA-N -1 1 341.741 3.857 20 0 EHADMM CC(C)c1ccc(-c2noc(CN(C[C@@H](C)C(=O)[O-])C3CC3)n2)cc1 ZINC000578515640 599947801 /nfs/dbraw/zinc/94/78/01/599947801.db2.gz CGBXKZZLAPWHON-CYBMUJFWSA-N -1 1 343.427 3.545 20 0 EHADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c(C)o1 ZINC000738388062 600437973 /nfs/dbraw/zinc/43/79/73/600437973.db2.gz HQWUGKOKGWFVIK-AWEZNQCLSA-N -1 1 338.201 3.574 20 0 EHADMM Cc1oc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000582970659 600440442 /nfs/dbraw/zinc/44/04/42/600440442.db2.gz PVCQWJDJDNADLB-AWEZNQCLSA-N -1 1 345.370 3.520 20 0 EHADMM C[C@H]1c2ccc(F)cc2CCN1CCOc1cccc(C(=O)[O-])c1 ZINC000736840508 600441211 /nfs/dbraw/zinc/44/12/11/600441211.db2.gz NQIUZFPLWHABFZ-ZDUSSCGKSA-N -1 1 329.371 3.522 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@@]3(CC=CCC3)C2)c(C)c1C(=O)[O-] ZINC000738237797 600449865 /nfs/dbraw/zinc/44/98/65/600449865.db2.gz WXYISMGTGPFTIC-YWZLYKJASA-N -1 1 344.455 3.723 20 0 EHADMM C[C@@H](c1ccc(Br)cc1)N1CCC(CC(=O)[O-])CC1 ZINC000093682404 600499599 /nfs/dbraw/zinc/49/95/99/600499599.db2.gz STMPFLLOSNDIQC-NSHDSACASA-N -1 1 326.234 3.697 20 0 EHADMM C/C(=C\CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C)C(=O)[O-] ZINC000825742088 601179143 /nfs/dbraw/zinc/17/91/43/601179143.db2.gz VYFJOEOPKKWLLP-IDKBZEPQSA-N -1 1 327.428 3.785 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1ccccc1N1CCCC1 ZINC000830810587 601616328 /nfs/dbraw/zinc/61/63/28/601616328.db2.gz BLVGHNQCHRNDTF-UHFFFAOYSA-N -1 1 342.414 3.756 20 0 EHADMM FC(F)(F)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826369069 607523627 /nfs/dbraw/zinc/52/36/27/607523627.db2.gz LLBRLDCJSNKGRC-UHFFFAOYSA-N -1 1 325.319 3.559 20 0 EHADMM CN(Cc1occc1C(=O)[O-])Cc1cccc(OC(F)(F)F)c1 ZINC000580206266 601908767 /nfs/dbraw/zinc/90/87/67/601908767.db2.gz XHYBXMPMRASJFV-UHFFFAOYSA-N -1 1 329.274 3.508 20 0 EHADMM C[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824757436 607533688 /nfs/dbraw/zinc/53/36/88/607533688.db2.gz WUHBVBHWDXICRT-VIFPVBQESA-N -1 1 333.367 3.534 20 0 EHADMM C[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824757436 607533690 /nfs/dbraw/zinc/53/36/90/607533690.db2.gz WUHBVBHWDXICRT-VIFPVBQESA-N -1 1 333.367 3.534 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(C(=O)c3ccccc3)CC2)s1 ZINC000574698027 601938203 /nfs/dbraw/zinc/93/82/03/601938203.db2.gz VJBOGWLWULDVAI-UHFFFAOYSA-N -1 1 329.421 3.541 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)s1 ZINC000564463028 601956173 /nfs/dbraw/zinc/95/61/73/601956173.db2.gz PTFMJCBJKGVLTN-ZDUSSCGKSA-N -1 1 347.411 3.680 20 0 EHADMM C[C@H](CN(Cc1ccn(C2CCCC2)n1)Cc1ccccc1)C(=O)[O-] ZINC000584118647 602016815 /nfs/dbraw/zinc/01/68/15/602016815.db2.gz FYDFTXKOTPHFIM-MRXNPFEDSA-N -1 1 341.455 3.721 20 0 EHADMM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000739029601 603065585 /nfs/dbraw/zinc/06/55/85/603065585.db2.gz VTDXWNNPDJEJFS-ZIAGYGMSSA-N -1 1 343.427 3.771 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830937183 604238475 /nfs/dbraw/zinc/23/84/75/604238475.db2.gz UHZDISHEGVWTDR-WCQYABFASA-N -1 1 349.456 3.580 20 0 EHADMM Cc1ccc(-c2cnc(CN3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)o2)cc1 ZINC000830148866 604251130 /nfs/dbraw/zinc/25/11/30/604251130.db2.gz LBAJTEDQHLGDOM-GOEBONIOSA-N -1 1 343.427 3.518 20 0 EHADMM C[C@@H](Oc1ccc(CN([C@@H](C)c2ccco2)C2CC2)cc1)C(=O)[O-] ZINC000833538168 604607530 /nfs/dbraw/zinc/60/75/30/604607530.db2.gz QZJVTFDISSRULZ-UONOGXRCSA-N -1 1 329.396 3.857 20 0 EHADMM CC(C)(C(=O)[O-])[C@H](NCc1csc(C2CC2)n1)c1ccccc1 ZINC000826106235 604628537 /nfs/dbraw/zinc/62/85/37/604628537.db2.gz VQGSCVYHWDPBJW-OAHLLOKOSA-N -1 1 330.453 3.962 20 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/nfs/dbraw/zinc/26/87/39/605268739.db2.gz JVUHFVJGHMLUGX-OAHLLOKOSA-N -1 1 347.436 3.619 20 0 EHADMM O=C([O-])NCCc1ccc(CN[C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000834245873 605955922 /nfs/dbraw/zinc/95/59/22/605955922.db2.gz UTUQYKSXCRLXFK-QGZVFWFLSA-N -1 1 346.377 3.552 20 0 EHADMM C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)c1ccco1 ZINC000824045198 608347708 /nfs/dbraw/zinc/34/77/08/608347708.db2.gz IUYXLGQDWRGVPV-SECBINFHSA-N -1 1 345.428 3.561 20 0 EHADMM C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)c1ccco1 ZINC000824045198 608347710 /nfs/dbraw/zinc/34/77/10/608347710.db2.gz IUYXLGQDWRGVPV-SECBINFHSA-N -1 1 345.428 3.561 20 0 EHADMM Cc1nc2cc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)ccc2s1 ZINC000826328975 609317098 /nfs/dbraw/zinc/31/70/98/609317098.db2.gz LLORRFMMUFXYDX-UHFFFAOYSA-N -1 1 343.803 3.577 20 0 EHADMM Cc1nc2cc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)ccc2s1 ZINC000826328975 609317100 /nfs/dbraw/zinc/31/71/00/609317100.db2.gz LLORRFMMUFXYDX-UHFFFAOYSA-N -1 1 343.803 3.577 20 0 EHADMM 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O=C([O-])c1cnc([C@@H]2CCN(Cc3cc(Cl)cs3)C2)s1 ZINC000905740397 981133564 /nfs/dbraw/zinc/13/35/64/981133564.db2.gz PBIYXRQQEJTODE-MRVPVSSYSA-N -1 1 328.846 3.546 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000683183677 1014785075 /nfs/dbraw/zinc/78/50/75/1014785075.db2.gz YTZPJNRWVNOYTB-UHFFFAOYSA-N -1 1 344.773 3.795 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000923096763 982721001 /nfs/dbraw/zinc/72/10/01/982721001.db2.gz LREPOPMCFQYWIB-INIZCTEOSA-N -1 1 346.452 3.776 20 0 EHADMM CCCc1nc(C)c(CN[C@](C)(CC(=O)[O-])c2cccc(F)c2)o1 ZINC001596083354 983404826 /nfs/dbraw/zinc/40/48/26/983404826.db2.gz NKDPEXSHWHTPQH-GOSISDBHSA-N -1 1 334.391 3.554 20 0 EHADMM CCN(Cc1ccoc1)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001596377761 983889260 /nfs/dbraw/zinc/88/92/60/983889260.db2.gz GGTOXWQHGSPYPQ-UHFFFAOYSA-N -1 1 338.201 3.762 20 0 EHADMM Cc1[nH]c(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001599947958 985560526 /nfs/dbraw/zinc/56/05/26/985560526.db2.gz 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1015433781 /nfs/dbraw/zinc/43/37/81/1015433781.db2.gz YICJBZNEPHIUSN-UHFFFAOYSA-N -1 1 334.416 3.754 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCC2(C)C)c([O-])c1 ZINC000179539240 1015434123 /nfs/dbraw/zinc/43/41/23/1015434123.db2.gz ATTJURGXXBGNJD-UHFFFAOYSA-N -1 1 334.416 3.754 20 0 EHADMM CCc1oc2ccccc2c1CN(C)Cc1cc(C(=O)[O-])c(C)n1C ZINC001597807611 989419143 /nfs/dbraw/zinc/41/91/43/989419143.db2.gz DWFNEXDJQHXXQW-UHFFFAOYSA-N -1 1 340.423 3.972 20 0 EHADMM COc1ccccc1CN(Cc1ccc(C(=O)[O-])c(C)c1)C1CC1 ZINC001599711426 991378070 /nfs/dbraw/zinc/37/80/70/991378070.db2.gz XTCKCJSSSVAXEG-UHFFFAOYSA-N -1 1 325.408 3.866 20 0 EHADMM COc1ccccc1[C@@H]1C[C@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001599719004 991504296 /nfs/dbraw/zinc/50/42/96/991504296.db2.gz QAZDKGIOODAIAZ-FABXCBLPSA-N -1 1 349.789 3.759 20 0 EHADMM CC(C)C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccncc1 ZINC001591184679 991989566 /nfs/dbraw/zinc/98/95/66/991989566.db2.gz YCWGHIYVRYZECK-HNNXBMFYSA-N -1 1 333.819 3.705 20 0 EHADMM 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EHADMM COC(=O)c1ccnc(C)c1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210928062 1019071344 /nfs/dbraw/zinc/07/13/44/1019071344.db2.gz ZDQZYVMFFRMMHY-UHFFFAOYSA-N -1 1 327.167 3.933 20 0 EHADMM CN(C(=O)c1csc(=NC2CC2)[n-]1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458023943 1019423666 /nfs/dbraw/zinc/42/36/66/1019423666.db2.gz JMMPTFSQYHYGPE-WBVHZDCISA-N -1 1 341.480 3.548 20 0 EHADMM COc1ccc2c(c1)CCCN([C@@H](C)c1cc(C(=O)[O-])c(C)o1)C2 ZINC000581017866 1020361979 /nfs/dbraw/zinc/36/19/79/1020361979.db2.gz YVIGKGFUYQIHNB-LBPRGKRZSA-N -1 1 329.396 3.804 20 0 EHADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000606903760 1032896122 /nfs/dbraw/zinc/89/61/22/1032896122.db2.gz KRWLCRICVLBYKA-MRVPVSSYSA-N -1 1 341.782 3.683 20 0 EHADMM C[C@@H]1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C[C@@H]1C(=O)[O-] ZINC000581250163 1020585156 /nfs/dbraw/zinc/58/51/56/1020585156.db2.gz AHKMZTUJSLSNJV-PWSUYJOCSA-N -1 1 345.270 3.602 20 0 EHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1 ZINC000581510432 1021031179 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O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc2ccccc2c1[O-] ZINC000436876922 1021324742 /nfs/dbraw/zinc/32/47/42/1021324742.db2.gz CMMFRGKGVKUKIH-UHFFFAOYSA-N -1 1 329.359 3.983 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3cc(C)cc(C)c3)no2)c1 ZINC000436895077 1021325586 /nfs/dbraw/zinc/32/55/86/1021325586.db2.gz TUTMKDJZBRDUKV-UHFFFAOYSA-N -1 1 337.379 3.608 20 0 EHADMM CC(C)COc1ncccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880868 1021331736 /nfs/dbraw/zinc/33/17/36/1021331736.db2.gz UCBDMOKPIJYIQI-UHFFFAOYSA-N -1 1 329.331 3.678 20 0 EHADMM [O-]c1ccc(-c2noc(-c3csc(C(F)(F)F)n3)n2)cc1F ZINC000436881978 1021334431 /nfs/dbraw/zinc/33/44/31/1021334431.db2.gz ZLBHTQMVQNAYTH-UHFFFAOYSA-N -1 1 331.250 3.724 20 0 EHADMM COCC[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccco1 ZINC000436889260 1021341417 /nfs/dbraw/zinc/34/14/17/1021341417.db2.gz VSWCDQKBSCUNQI-MRXNPFEDSA-N -1 1 325.364 3.646 20 0 EHADMM CC(C)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1Cl ZINC000436913167 1021359865 /nfs/dbraw/zinc/35/98/65/1021359865.db2.gz ZTFRFNPNUSKGAD-MRXNPFEDSA-N -1 1 331.799 3.742 20 0 EHADMM CCC[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C(C)C ZINC000436917312 1021372018 /nfs/dbraw/zinc/37/20/18/1021372018.db2.gz CZDNKJFRVAIQDF-LLVKDONJSA-N -1 1 336.823 3.842 20 0 EHADMM CCC[C@@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C(C)C ZINC000436917312 1021372036 /nfs/dbraw/zinc/37/20/36/1021372036.db2.gz CZDNKJFRVAIQDF-LLVKDONJSA-N -1 1 336.823 3.842 20 0 EHADMM COc1ccc(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)c([O-])c1 ZINC000436921921 1021379038 /nfs/dbraw/zinc/37/90/38/1021379038.db2.gz YALUNZOIMXEZJE-UHFFFAOYSA-N -1 1 339.326 3.662 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c([O-])c1 ZINC000436923153 1021381958 /nfs/dbraw/zinc/38/19/58/1021381958.db2.gz RVDCOFUIFIFOJH-QGZVFWFLSA-N -1 1 341.407 3.936 20 0 EHADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000436988298 1021441128 /nfs/dbraw/zinc/44/11/28/1021441128.db2.gz LHVHTBODSWJZJE-QLJPJBMISA-N -1 1 337.778 3.691 20 0 EHADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cc2ccccc2s1 ZINC000436998832 1021469384 /nfs/dbraw/zinc/46/93/84/1021469384.db2.gz JYKDDELBPAFTOS-LLVKDONJSA-N -1 1 325.389 3.667 20 0 EHADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1[C@H](C)C1CC1 ZINC000516619331 1021601761 /nfs/dbraw/zinc/60/17/61/1021601761.db2.gz ILNJSVSNBDUTAN-SNVBAGLBSA-N -1 1 328.347 3.724 20 0 EHADMM CN(C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)C1CCC1 ZINC000430651774 1021647719 /nfs/dbraw/zinc/64/77/19/1021647719.db2.gz MFTCRBRBWRTHEC-UHFFFAOYSA-N -1 1 348.402 3.945 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2csc(-c3ccccc3F)n2)n1 ZINC000188112624 1021826898 /nfs/dbraw/zinc/82/68/98/1021826898.db2.gz AAMBDSRIBXXIMA-UHFFFAOYSA-N -1 1 347.440 3.887 20 0 EHADMM O=C(CC[C@@H]1CCCO1)Nc1c([O-])cc(Br)cc1Cl ZINC000516986529 1021923250 /nfs/dbraw/zinc/92/32/50/1021923250.db2.gz ODWSDJBIBOMCDD-VIFPVBQESA-N -1 1 348.624 3.706 20 0 EHADMM C[C@@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000517576651 1022457405 /nfs/dbraw/zinc/45/74/05/1022457405.db2.gz XFCIIHOVNYGMLD-YGRLFVJLSA-N -1 1 344.224 3.836 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1 ZINC000007055876 1022576367 /nfs/dbraw/zinc/57/63/67/1022576367.db2.gz QEIXPUJGQQWYKX-UHFFFAOYSA-N -1 1 345.392 3.811 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@H](C)[C@@H]2C)c1 ZINC000173000515 1033070492 /nfs/dbraw/zinc/07/04/92/1033070492.db2.gz HMQQKHWFWGBFFI-KBPBESRZSA-N -1 1 344.484 3.563 20 0 EHADMM O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc([O-])c(Cl)c1 ZINC000111666648 1022698677 /nfs/dbraw/zinc/69/86/77/1022698677.db2.gz QZXSTASDVNRJSP-SOFGYWHQSA-N -1 1 325.755 3.641 20 0 EHADMM O=S(=O)([N-]Cc1cccc(F)c1)c1cc(Cl)sc1Cl ZINC000506264193 1022748950 /nfs/dbraw/zinc/74/89/50/1022748950.db2.gz MZTRUYFGFFSOCB-UHFFFAOYSA-N -1 1 340.228 3.673 20 0 EHADMM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000426086808 1022870843 /nfs/dbraw/zinc/87/08/43/1022870843.db2.gz BFJOJGYMWWZPHE-MRXNPFEDSA-N -1 1 338.398 3.604 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000188846627 1022894013 /nfs/dbraw/zinc/89/40/13/1022894013.db2.gz YEKYAFFGMTZWOS-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(Cl)c1 ZINC000426737090 1023005397 /nfs/dbraw/zinc/00/53/97/1023005397.db2.gz LUBOSOXJTPMBMB-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CCC(C)(C(C)C)CC3)cnc2n1 ZINC000189349933 1023012710 /nfs/dbraw/zinc/01/27/10/1023012710.db2.gz AMHSVWVYBOATDW-UHFFFAOYSA-N -1 1 327.428 3.542 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(C)(C(C)C)CC1)c2=O ZINC000189349933 1023012722 /nfs/dbraw/zinc/01/27/22/1023012722.db2.gz AMHSVWVYBOATDW-UHFFFAOYSA-N -1 1 327.428 3.542 20 0 EHADMM COc1ccccc1[C@@H](NCc1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC000426768918 1023033373 /nfs/dbraw/zinc/03/33/73/1023033373.db2.gz DITRPLCVVIVWKI-LJQANCHMSA-N -1 1 343.423 3.646 20 0 EHADMM COc1ccc([C@@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])cc1F ZINC000426775827 1023036394 /nfs/dbraw/zinc/03/63/94/1023036394.db2.gz CVFWXZOAIQMNDM-OAHLLOKOSA-N -1 1 341.741 3.542 20 0 EHADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000518328572 1023226119 /nfs/dbraw/zinc/22/61/19/1023226119.db2.gz HJKITONMBHPNAG-UHFFFAOYSA-N -1 1 345.251 3.860 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C ZINC000518328562 1023226653 /nfs/dbraw/zinc/22/66/53/1023226653.db2.gz GOAVDVLAFHOTOI-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM Cc1cnc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000427132580 1023232822 /nfs/dbraw/zinc/23/28/22/1023232822.db2.gz DZSRORLVKXOPSH-UHFFFAOYSA-N -1 1 328.799 3.679 20 0 EHADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(F)c1 ZINC000439064083 1023240080 /nfs/dbraw/zinc/24/00/80/1023240080.db2.gz COJKOWYZPRLULT-NSHDSACASA-N -1 1 325.343 3.664 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(F)c1Cl ZINC000439069068 1023256530 /nfs/dbraw/zinc/25/65/30/1023256530.db2.gz SIGCTFIQIBRGBR-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000092599650 1023464025 /nfs/dbraw/zinc/46/40/25/1023464025.db2.gz KSADAGBIHKCHLO-VXGBXAGGSA-N -1 1 334.416 3.752 20 0 EHADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000598380724 1033152913 /nfs/dbraw/zinc/15/29/13/1033152913.db2.gz VRBIRRLPUILNNT-UHFFFAOYSA-N -1 1 344.358 3.572 20 0 EHADMM [O-]c1ccc(-c2noc([C@H](C[C@@H]3CCCO3)C(F)(F)F)n2)cc1F ZINC000650590751 1024017012 /nfs/dbraw/zinc/01/70/12/1024017012.db2.gz IXBBNDPDNVXWRP-UWVGGRQHSA-N -1 1 346.280 3.796 20 0 EHADMM COCc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)o1 ZINC000417563963 1024061987 /nfs/dbraw/zinc/06/19/87/1024061987.db2.gz FIORSSBRBJQEOK-GOSISDBHSA-N -1 1 331.412 3.855 20 0 EHADMM COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c(OC)c1 ZINC000093908349 1024098701 /nfs/dbraw/zinc/09/87/01/1024098701.db2.gz PFELJHRXHRHXQN-INIZCTEOSA-N -1 1 345.370 3.526 20 0 EHADMM CCOc1ccc(C(C)=O)cc1CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000324286783 1024362269 /nfs/dbraw/zinc/36/22/69/1024362269.db2.gz QTGRDXUUCGKOTN-QGZVFWFLSA-N -1 1 333.428 3.507 20 0 EHADMM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000657261623 1024406848 /nfs/dbraw/zinc/40/68/48/1024406848.db2.gz NAUZPUCEQKNRRH-JTQLQIEISA-N -1 1 337.832 3.572 20 0 EHADMM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1ccc2ccccc2c1[O-] ZINC000443681661 1024421267 /nfs/dbraw/zinc/42/12/67/1024421267.db2.gz MSDFVVYACKFIKY-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccc(F)c(Br)c1 ZINC001225765524 1024473109 /nfs/dbraw/zinc/47/31/09/1024473109.db2.gz MJIJCXWZCARNOX-ZCFIWIBFSA-N -1 1 345.193 3.513 20 0 EHADMM CCCN(Cc1ccc(C)nc1C)Cc1nc(=O)c2sccc2[n-]1 ZINC001168027819 1024480838 /nfs/dbraw/zinc/48/08/38/1024480838.db2.gz ZZNQRQVNKJTHHR-UHFFFAOYSA-N -1 1 342.468 3.821 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000092763854 1024489082 /nfs/dbraw/zinc/48/90/82/1024489082.db2.gz OPFXVUFAOPLERC-UHFFFAOYSA-N -1 1 341.338 3.673 20 0 EHADMM CC(=O)c1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000011639326 1024491766 /nfs/dbraw/zinc/49/17/66/1024491766.db2.gz KKHOWCLVNLRKHV-UHFFFAOYSA-N -1 1 334.169 3.610 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)s1 ZINC000434961955 1024520331 /nfs/dbraw/zinc/52/03/31/1024520331.db2.gz INJFIQABTKWDJD-UHFFFAOYSA-N -1 1 333.438 3.556 20 0 EHADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(F)ccc2C)[nH]n1 ZINC000434970872 1024532049 /nfs/dbraw/zinc/53/20/49/1024532049.db2.gz FEFWSGZSKMYXOC-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1OC(F)F ZINC000114674291 1024730665 /nfs/dbraw/zinc/73/06/65/1024730665.db2.gz JZVHFLIBAVCYDP-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM CC(C)c1ccc(OC2CCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000548627441 1024872359 /nfs/dbraw/zinc/87/23/59/1024872359.db2.gz LUCRFYLDVGXULC-UHFFFAOYSA-N -1 1 340.423 3.594 20 0 EHADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1c(Cl)ccc2ccccc21 ZINC000474414424 1024926285 /nfs/dbraw/zinc/92/62/85/1024926285.db2.gz LMKJRJAESMLEGY-UHFFFAOYSA-N -1 1 347.827 3.895 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000348534099 1024941989 /nfs/dbraw/zinc/94/19/89/1024941989.db2.gz UNFIHRBYTLWYPE-AWEZNQCLSA-N -1 1 331.362 3.765 20 0 EHADMM COc1cnc([C@@H]2CCCN2C/C=C\c2ccc(Cl)cc2)[n-]c1=O ZINC000934269922 1025182974 /nfs/dbraw/zinc/18/29/74/1025182974.db2.gz COUGZHHLNXIFRQ-HKLWWIALSA-N -1 1 345.830 3.695 20 0 EHADMM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cncc([O-])c1 ZINC000327638249 1025201930 /nfs/dbraw/zinc/20/19/30/1025201930.db2.gz RWYMFQBWKAMLJD-UHFFFAOYSA-N -1 1 338.338 3.649 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)c1 ZINC000442223226 1025219738 /nfs/dbraw/zinc/21/97/38/1025219738.db2.gz LZGADAXAYDZMST-UHFFFAOYSA-N -1 1 337.828 3.960 20 0 EHADMM COc1ccc(CN(C(=O)c2ccc([O-])cc2F)[C@H](C)C2CC2)cc1 ZINC000582089996 1025225799 /nfs/dbraw/zinc/22/57/99/1025225799.db2.gz GHXRIDHSSMHGOO-CYBMUJFWSA-N -1 1 343.398 3.981 20 0 EHADMM C[C@H](c1ccccc1)n1cnnc1SCC(=O)c1ccc([O-])cc1 ZINC000521183817 1025257391 /nfs/dbraw/zinc/25/73/91/1025257391.db2.gz MEJMTWCREKYTFE-CYBMUJFWSA-N -1 1 339.420 3.568 20 0 EHADMM CCCc1cc(=O)[n-]c(SCCC(=O)Nc2cccc(F)c2C)n1 ZINC000436118533 1025391491 /nfs/dbraw/zinc/39/14/91/1025391491.db2.gz OXJWSVZOJUYAFG-UHFFFAOYSA-N -1 1 349.431 3.703 20 0 EHADMM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccccc1[O-] ZINC000098109311 1025422695 /nfs/dbraw/zinc/42/26/95/1025422695.db2.gz RBGNAHPKHFTNSI-CQSZACIVSA-N -1 1 327.380 3.592 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2nnc(-c3cccs3)o2)n1 ZINC000436201618 1025455615 /nfs/dbraw/zinc/45/56/15/1025455615.db2.gz BEKQDGLMDAQJAM-QMMMGPOBSA-N -1 1 334.426 3.709 20 0 EHADMM CCc1cnccc1[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442803543 1025499954 /nfs/dbraw/zinc/49/99/54/1025499954.db2.gz TWSSMCIQVCXLAW-SNVBAGLBSA-N -1 1 334.803 3.503 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2C)c(C)c1 ZINC000451066065 1025507626 /nfs/dbraw/zinc/50/76/26/1025507626.db2.gz MPDOFJCRTJYYTN-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2ncccc2C(F)(F)F)[n-]1 ZINC000436258192 1025517772 /nfs/dbraw/zinc/51/77/72/1025517772.db2.gz GNNXDLINJAONNY-UHFFFAOYSA-N -1 1 327.331 3.766 20 0 EHADMM CC(=O)c1cc(F)c([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)c(F)c1 ZINC000347184708 1025629358 /nfs/dbraw/zinc/62/93/58/1025629358.db2.gz XTQYHJWYJAQLCW-UHFFFAOYSA-N -1 1 347.317 3.840 20 0 EHADMM COc1cc(C(=O)Nc2nccc3sccc32)cc(Cl)c1[O-] ZINC000443118680 1025735818 /nfs/dbraw/zinc/73/58/18/1025735818.db2.gz JKTMDHQBXDAAII-UHFFFAOYSA-N -1 1 334.784 3.916 20 0 EHADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000436485563 1025790203 /nfs/dbraw/zinc/79/02/03/1025790203.db2.gz IICRUHNJJTVNAE-KBXCAEBGSA-N -1 1 345.826 3.943 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3s2)c1 ZINC000436510892 1025804673 /nfs/dbraw/zinc/80/46/73/1025804673.db2.gz VTDMAHIJEWWOPN-UHFFFAOYSA-N -1 1 327.361 3.646 20 0 EHADMM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc([O-])cc1F ZINC000436512696 1025806719 /nfs/dbraw/zinc/80/67/19/1025806719.db2.gz MTBBEWZMFSJAAT-UHFFFAOYSA-N -1 1 330.334 3.514 20 0 EHADMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2c([O-])cccc2F)cc1 ZINC000436511341 1025807865 /nfs/dbraw/zinc/80/78/65/1025807865.db2.gz IGZIBAHAVDSJBP-HNAYVOBHSA-N -1 1 343.398 3.737 20 0 EHADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Br)cc1[O-] ZINC000436552063 1025857652 /nfs/dbraw/zinc/85/76/52/1025857652.db2.gz UEYFNTFNJPFDQG-GYSYKLTISA-N -1 1 338.245 3.948 20 0 EHADMM [O-]c1ccc(-c2nc(COc3ccc(Cl)c(F)c3)no2)c(F)c1 ZINC000436560321 1025886778 /nfs/dbraw/zinc/88/67/78/1025886778.db2.gz CPPHZWUTDCIMSB-UHFFFAOYSA-N -1 1 338.697 3.953 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000436570636 1025900726 /nfs/dbraw/zinc/90/07/26/1025900726.db2.gz ADPOHZGBSGGCAK-FQEVSTJZSA-N -1 1 325.408 3.578 20 0 EHADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])sc1Br ZINC000707970855 1025902557 /nfs/dbraw/zinc/90/25/57/1025902557.db2.gz JIEZUHVGHIHLDJ-UHFFFAOYSA-N -1 1 330.178 3.916 20 0 EHADMM CCc1c(NC(=O)c2ccc(OC)cc2[O-])cnn1C(CC)CC ZINC000436593377 1025912203 /nfs/dbraw/zinc/91/22/03/1025912203.db2.gz DMDPHLVHRIXDKU-UHFFFAOYSA-N -1 1 331.416 3.773 20 0 EHADMM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436603711 1025934746 /nfs/dbraw/zinc/93/47/46/1025934746.db2.gz MTUJOXWBXCRYTF-LJQANCHMSA-N -1 1 349.430 3.959 20 0 EHADMM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccccc1[O-] ZINC000436619123 1025969547 /nfs/dbraw/zinc/96/95/47/1025969547.db2.gz VDACKSTYDBKTCM-UHFFFAOYSA-N -1 1 332.359 3.641 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000443408038 1025989131 /nfs/dbraw/zinc/98/91/31/1025989131.db2.gz GGFYOZVSILZJJS-UHFFFAOYSA-N -1 1 327.352 3.824 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000443402762 1025999156 /nfs/dbraw/zinc/99/91/56/1025999156.db2.gz ILHRYMWTVRHBDS-UHFFFAOYSA-N -1 1 344.392 3.541 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cc2cc(F)ccc2o1 ZINC000451490771 1026035339 /nfs/dbraw/zinc/03/53/39/1026035339.db2.gz AYOQWZNTHUGACF-JTQLQIEISA-N -1 1 347.358 3.676 20 0 EHADMM CCc1nc(CCNC(=O)c2cc3ccccc3cc2[O-])sc1C ZINC000436685066 1026036884 /nfs/dbraw/zinc/03/68/84/1026036884.db2.gz APZFKOVJQULLIX-UHFFFAOYSA-N -1 1 340.448 3.845 20 0 EHADMM C[C@H](CC(=O)[N-]OCc1ccccn1)c1ccccc1C(F)(F)F ZINC000909535340 1026061448 /nfs/dbraw/zinc/06/14/48/1026061448.db2.gz LOSZBWYJPORXQQ-GFCCVEGCSA-N -1 1 338.329 3.842 20 0 EHADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(Br)cc3[O-])C2)C1 ZINC000436726527 1026075968 /nfs/dbraw/zinc/07/59/68/1026075968.db2.gz YRVQBOFQBNMRFS-BZNIZROVSA-N -1 1 338.245 3.807 20 0 EHADMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000436710353 1026078792 /nfs/dbraw/zinc/07/87/92/1026078792.db2.gz SLNYWZKBSMBJBU-UWWQBHOKSA-N -1 1 343.398 3.612 20 0 EHADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H](C)CO1 ZINC000436717880 1026087075 /nfs/dbraw/zinc/08/70/75/1026087075.db2.gz HXJOYMWNTTVJAG-FZKQIMNGSA-N -1 1 345.826 3.956 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1c(F)cncc1F ZINC000436716659 1026088675 /nfs/dbraw/zinc/08/86/75/1026088675.db2.gz UPKICDPODISFOB-SNVBAGLBSA-N -1 1 328.318 3.710 20 0 EHADMM CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436722319 1026095744 /nfs/dbraw/zinc/09/57/44/1026095744.db2.gz KNSWLBVRJDDLSH-UHFFFAOYSA-N -1 1 340.206 3.850 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CC(C2CCCCC2)C1 ZINC000436729572 1026120003 /nfs/dbraw/zinc/12/00/03/1026120003.db2.gz RWUHWJLQQVSZLC-UHFFFAOYSA-N -1 1 338.245 3.807 20 0 EHADMM CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436752974 1026142671 /nfs/dbraw/zinc/14/26/71/1026142671.db2.gz UJHZYILYUYTZEN-CYBMUJFWSA-N -1 1 345.361 3.688 20 0 EHADMM O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000436755506 1026146113 /nfs/dbraw/zinc/14/61/13/1026146113.db2.gz NJLSMEVCUANWHG-UHFFFAOYSA-N -1 1 347.239 3.864 20 0 EHADMM CC1(F)CC([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000451628819 1026163647 /nfs/dbraw/zinc/16/36/47/1026163647.db2.gz FZCHVHXXWQZQQL-UHFFFAOYSA-N -1 1 345.745 3.528 20 0 EHADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896991439 1026196691 /nfs/dbraw/zinc/19/66/91/1026196691.db2.gz WMXIFDGZEZRTCA-UKRRQHHQSA-N -1 1 345.464 3.997 20 0 EHADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1-c1ccc(F)cc1 ZINC000111666555 1026307551 /nfs/dbraw/zinc/30/75/51/1026307551.db2.gz CQLYSWUKKFUFMO-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCN1c1ccccc1 ZINC000582512881 1026458640 /nfs/dbraw/zinc/45/86/40/1026458640.db2.gz AUEJEWAQTODYRW-DOMZBBRYSA-N -1 1 339.370 3.964 20 0 EHADMM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531248034 1026725530 /nfs/dbraw/zinc/72/55/30/1026725530.db2.gz DWVITLFJVJBRAC-MRXNPFEDSA-N -1 1 329.421 3.732 20 0 EHADMM CC(C)Sc1ccccc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000349752236 1026770082 /nfs/dbraw/zinc/77/00/82/1026770082.db2.gz ZOUWZYJCZSHHDV-UHFFFAOYSA-N -1 1 333.482 3.892 20 0 EHADMM Cc1nc(-c2ccc(N(C)Cc3cccc(F)c3)nc2)[n-]c(=O)c1C ZINC000301380089 1026784441 /nfs/dbraw/zinc/78/44/41/1026784441.db2.gz YNFDFECGELYVLL-UHFFFAOYSA-N -1 1 338.386 3.637 20 0 EHADMM CCC[C@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301612165 1026874081 /nfs/dbraw/zinc/87/40/81/1026874081.db2.gz FPGOHCGDSMKUDS-HNNXBMFYSA-N -1 1 326.444 3.878 20 0 EHADMM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000116033147 1026876342 /nfs/dbraw/zinc/87/63/42/1026876342.db2.gz YXNZVIPXIHHFMZ-HSZRJFAPSA-N -1 1 331.437 3.692 20 0 EHADMM Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ncc(C)c(=O)[n-]2)c(C)c1 ZINC000563439585 1026975061 /nfs/dbraw/zinc/97/50/61/1026975061.db2.gz NCTPRAPEDOGWNR-CYBMUJFWSA-N -1 1 331.441 3.535 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)c(C)c1C ZINC000117227848 1027004903 /nfs/dbraw/zinc/00/49/03/1027004903.db2.gz WLABASNKNGPPAA-UHFFFAOYSA-N -1 1 346.408 3.562 20 0 EHADMM CCOc1cc(-c2noc(C[C@H]3CCCCO3)n2)cc(Cl)c1[O-] ZINC000277825882 1027060203 /nfs/dbraw/zinc/06/02/03/1027060203.db2.gz HRJYDYYKYDOQLU-LLVKDONJSA-N -1 1 338.791 3.606 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3cccc(Cl)c3)cnc2n1 ZINC000075473144 1027138589 /nfs/dbraw/zinc/13/85/89/1027138589.db2.gz CUHQHVUYLQXPHR-UHFFFAOYSA-N -1 1 341.798 3.569 20 0 EHADMM Cc1ccc2c(=O)c(C(=O)N(C)Cc3cccc(Cl)c3)c[n-]c2n1 ZINC000075473144 1027138598 /nfs/dbraw/zinc/13/85/98/1027138598.db2.gz CUHQHVUYLQXPHR-UHFFFAOYSA-N -1 1 341.798 3.569 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1Nc1ccccc1 ZINC000075536249 1027146461 /nfs/dbraw/zinc/14/64/61/1027146461.db2.gz UVTQVNFSMVFSLU-UHFFFAOYSA-N -1 1 347.300 3.819 20 0 EHADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000078235298 1027550399 /nfs/dbraw/zinc/55/03/99/1027550399.db2.gz GBMVNFXHZRFNMY-UHFFFAOYSA-N -1 1 346.452 3.594 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@]4(CC=CCC4)C3)cnc2n1 ZINC000114557917 1027973825 /nfs/dbraw/zinc/97/38/25/1027973825.db2.gz QDRQCJJIUSRNNR-HXUWFJFHSA-N -1 1 337.423 3.606 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@]3(CC=CCC3)C1)c2=O ZINC000114557917 1027973843 /nfs/dbraw/zinc/97/38/43/1027973843.db2.gz QDRQCJJIUSRNNR-HXUWFJFHSA-N -1 1 337.423 3.606 20 0 EHADMM CC(C)[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000444519107 1028005069 /nfs/dbraw/zinc/00/50/69/1028005069.db2.gz FQPMEKCOIBYBDN-NSHDSACASA-N -1 1 326.234 3.663 20 0 EHADMM COc1cc(C)c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1C ZINC000444615678 1028078509 /nfs/dbraw/zinc/07/85/09/1028078509.db2.gz HIULTGYBKRXJEH-UHFFFAOYSA-N -1 1 335.787 3.932 20 0 EHADMM CCOc1ccc(OC)cc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000729666447 1028234403 /nfs/dbraw/zinc/23/44/03/1028234403.db2.gz RTCQUDFEPNQRDS-VAWYXSNFSA-N -1 1 347.436 3.815 20 0 EHADMM CC[C@H](CC(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1)C(C)C ZINC000068452644 1028398827 /nfs/dbraw/zinc/39/88/27/1028398827.db2.gz UYQGKJWIASMRCW-CYBMUJFWSA-N -1 1 338.521 3.739 20 0 EHADMM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)c1 ZINC000583032947 1028595426 /nfs/dbraw/zinc/59/54/26/1028595426.db2.gz ZYHLTHVVPNFQLU-KRWDZBQOSA-N -1 1 335.350 3.668 20 0 EHADMM CCOc1cc(-c2noc([C@@H]3CCSC3)n2)cc(Cl)c1[O-] ZINC000445422495 1028767681 /nfs/dbraw/zinc/76/76/81/1028767681.db2.gz NJZYUIDEOBDEIV-MRVPVSSYSA-N -1 1 326.805 3.715 20 0 EHADMM COC(=O)c1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445449187 1028779970 /nfs/dbraw/zinc/77/99/70/1028779970.db2.gz UNHFIDIZPJSNOH-UHFFFAOYSA-N -1 1 330.727 3.549 20 0 EHADMM COc1cccc(CCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450967 1028785263 /nfs/dbraw/zinc/78/52/63/1028785263.db2.gz YXCAYARIOYKUAW-UHFFFAOYSA-N -1 1 330.771 3.889 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)c(F)c1 ZINC000445455078 1028823026 /nfs/dbraw/zinc/82/30/26/1028823026.db2.gz IZXROOBMIXXULP-UHFFFAOYSA-N -1 1 328.328 3.700 20 0 EHADMM COc1ccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)cc1OC ZINC000445459772 1028829541 /nfs/dbraw/zinc/82/95/41/1028829541.db2.gz HGHXFVPGKLBVGQ-XBXARRHUSA-N -1 1 342.326 3.769 20 0 EHADMM COc1cc(C(=O)NC2(c3ccccc3F)CC2)cc(Cl)c1[O-] ZINC000153856115 1028837507 /nfs/dbraw/zinc/83/75/07/1028837507.db2.gz XWOBWCOBHOVCLD-UHFFFAOYSA-N -1 1 335.762 3.612 20 0 EHADMM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)cnn1CCC(C)C ZINC000445474281 1028853870 /nfs/dbraw/zinc/85/38/70/1028853870.db2.gz PYPCBPVWFIAVSE-UHFFFAOYSA-N -1 1 330.363 3.799 20 0 EHADMM Cc1ccn(-c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)n1 ZINC000445476133 1028857151 /nfs/dbraw/zinc/85/71/51/1028857151.db2.gz YWCDWLQHJUYGLU-UHFFFAOYSA-N -1 1 336.326 3.742 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1F ZINC000780377295 1028934056 /nfs/dbraw/zinc/93/40/56/1028934056.db2.gz KSXQGQJQNYKXLV-UHFFFAOYSA-N -1 1 349.305 3.712 20 0 EHADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000524182793 1028945300 /nfs/dbraw/zinc/94/53/00/1028945300.db2.gz NPOLTVYTMNVJCQ-UHFFFAOYSA-N -1 1 341.436 3.551 20 0 EHADMM COc1cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc(Cl)c1[O-] ZINC000153954263 1028961527 /nfs/dbraw/zinc/96/15/27/1028961527.db2.gz BLRJVTYYXOSUQI-UHFFFAOYSA-N -1 1 345.782 3.826 20 0 EHADMM [O-]c1ccc(-c2noc(-c3csc([C@@H]4CCCO4)n3)n2)c(F)c1 ZINC000278154262 1029372934 /nfs/dbraw/zinc/37/29/34/1029372934.db2.gz MKTRTWKBDDNXGL-LBPRGKRZSA-N -1 1 333.344 3.556 20 0 EHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(F)c2ncccc12 ZINC000078677414 1029407743 /nfs/dbraw/zinc/40/77/43/1029407743.db2.gz XAOASJKWAZAUKM-UHFFFAOYSA-N -1 1 341.367 3.656 20 0 EHADMM CCCc1nnc([N-]C(=O)c2csc(-c3ccc(C)o3)n2)s1 ZINC000031274463 1029492734 /nfs/dbraw/zinc/49/27/34/1029492734.db2.gz FTASMIYHPZIPMU-UHFFFAOYSA-N -1 1 334.426 3.768 20 0 EHADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H]1CCc1ccccc1 ZINC000079407904 1029639334 /nfs/dbraw/zinc/63/93/34/1029639334.db2.gz GTWJSPVACMZJCT-INIZCTEOSA-N -1 1 347.418 3.573 20 0 EHADMM O=C(CCOc1ccc(F)cc1Cl)Nc1c([O-])cccc1F ZINC000092550743 1029652008 /nfs/dbraw/zinc/65/20/08/1029652008.db2.gz JUBJENKKIGECOG-UHFFFAOYSA-N -1 1 327.714 3.731 20 0 EHADMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccsc1 ZINC000446632264 1029730288 /nfs/dbraw/zinc/73/02/88/1029730288.db2.gz AIWACYCSHAUWRC-UHFFFAOYSA-N -1 1 345.467 3.606 20 0 EHADMM O=C([O-])C[C@@H](NCc1ccccc1OC1CCCC1)c1ccncc1 ZINC000583511032 1029996093 /nfs/dbraw/zinc/99/60/93/1029996093.db2.gz NKKYTZGCESEUKQ-GOSISDBHSA-N -1 1 340.423 3.709 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)c1 ZINC000447266531 1030054341 /nfs/dbraw/zinc/05/43/41/1030054341.db2.gz XKEFTOVRHRVFQV-UHFFFAOYSA-N -1 1 347.436 3.786 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c(C)c1 ZINC000481862504 1030055820 /nfs/dbraw/zinc/05/58/20/1030055820.db2.gz QCLLSKAUVNCQOZ-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000525778483 1030113668 /nfs/dbraw/zinc/11/36/68/1030113668.db2.gz GSSYDYUAXZUJPM-UHFFFAOYSA-N -1 1 334.350 3.796 20 0 EHADMM O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000448075102 1030133598 /nfs/dbraw/zinc/13/35/98/1030133598.db2.gz SLYLMXNYJGBRME-UHFFFAOYSA-N -1 1 336.171 3.639 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1Cl ZINC000525823270 1030147229 /nfs/dbraw/zinc/14/72/29/1030147229.db2.gz AZPOABCXHBXHFT-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1Cl ZINC000525823293 1030147330 /nfs/dbraw/zinc/14/73/30/1030147330.db2.gz HLFZEJHNMBMNIE-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(Cl)c1[O-] ZINC000192585548 1030219915 /nfs/dbraw/zinc/21/99/15/1030219915.db2.gz XANOMQSZRMIFSX-UHFFFAOYSA-N -1 1 333.771 3.899 20 0 EHADMM C[C@@H]1C[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)CCO1 ZINC000583685926 1030452511 /nfs/dbraw/zinc/45/25/11/1030452511.db2.gz FLOOWZMIDXWUOD-HTQZYQBOSA-N -1 1 348.624 3.562 20 0 EHADMM CC1(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000583729483 1030571398 /nfs/dbraw/zinc/57/13/98/1030571398.db2.gz AGWUTQPMPWWPMN-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM COC(=O)c1c[n-]c(SCc2ccccc2Oc2cccnc2)n1 ZINC000193550051 1030580809 /nfs/dbraw/zinc/58/08/09/1030580809.db2.gz XWDSISPVDXUOEI-UHFFFAOYSA-N -1 1 341.392 3.676 20 0 EHADMM COc1cc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cc(Cl)c1[O-] ZINC000527192466 1030688460 /nfs/dbraw/zinc/68/84/60/1030688460.db2.gz NCNOAERSJZSZSU-SKDRFNHKSA-N -1 1 335.787 3.701 20 0 EHADMM COc1cc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cc(Cl)c1[O-] ZINC000527203274 1030706605 /nfs/dbraw/zinc/70/66/05/1030706605.db2.gz ZKCRGEFTGOYMAW-LBPRGKRZSA-N -1 1 339.741 3.761 20 0 EHADMM CC(C)Cc1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n(C)n1 ZINC001625956738 1031015819 /nfs/dbraw/zinc/01/58/19/1031015819.db2.gz LBXAQSZTUWXZTM-UHFFFAOYSA-N -1 1 341.333 3.595 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(N(C)C)c2)c1 ZINC000483188178 1031032213 /nfs/dbraw/zinc/03/22/13/1031032213.db2.gz FOBRAQSFRBZIEI-UHFFFAOYSA-N -1 1 349.228 3.781 20 0 EHADMM CCCOc1cc(F)ccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000123286280 1031057909 /nfs/dbraw/zinc/05/79/09/1031057909.db2.gz CPNHTGSLCHPMNX-UHFFFAOYSA-N -1 1 346.358 3.531 20 0 EHADMM O=C([N-]c1cc(-c2ccccc2F)on1)c1c(F)ccc(F)c1F ZINC000448492007 1031140042 /nfs/dbraw/zinc/14/00/42/1031140042.db2.gz XWQWHCCBQHTMOF-UHFFFAOYSA-N -1 1 336.244 3.572 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161956071 1031221739 /nfs/dbraw/zinc/22/17/39/1031221739.db2.gz QPSWPSPGTPWCTB-HNNXBMFYSA-N -1 1 344.224 3.665 20 0 EHADMM C[C@@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCc2ccccc2C1 ZINC000477131371 1031280052 /nfs/dbraw/zinc/28/00/52/1031280052.db2.gz GFEOWSXIBZVNEZ-OAQYLSRUSA-N -1 1 347.418 3.916 20 0 EHADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(F)cc2C)c1-c1ccccc1 ZINC000536193625 1031442275 /nfs/dbraw/zinc/44/22/75/1031442275.db2.gz UYHPBPADUADBGS-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM Cc1c(Br)ccc(NC(=O)c2ccc(O)cc2[O-])c1F ZINC000194779000 1031496766 /nfs/dbraw/zinc/49/67/66/1031496766.db2.gz RFACSTSQGCYMRQ-UHFFFAOYSA-N -1 1 340.148 3.560 20 0 EHADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)cc(Cl)c3)ccc2O1 ZINC000477419655 1031549215 /nfs/dbraw/zinc/54/92/15/1031549215.db2.gz ZFJYHUZWYBJODL-VIFPVBQESA-N -1 1 341.791 3.603 20 0 EHADMM Cc1cccc(OCCN(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000565101162 1031598493 /nfs/dbraw/zinc/59/84/93/1031598493.db2.gz YOUBWFWOLPDHEK-UHFFFAOYSA-N -1 1 349.377 3.629 20 0 EHADMM O=C([O-])[C@@]1(NCc2cscc2Cl)CCc2c1cccc2F ZINC000904009307 1031626923 /nfs/dbraw/zinc/62/69/23/1031626923.db2.gz DADDCILDRJEOTE-OAHLLOKOSA-N -1 1 325.792 3.557 20 0 EHADMM Cc1nc(-c2ccc(NC[C@H]3CCCCS3)nc2)[n-]c(=O)c1C ZINC000343613953 1031632426 /nfs/dbraw/zinc/63/24/26/1031632426.db2.gz YQRAEJRPUJKVEA-CQSZACIVSA-N -1 1 330.457 3.559 20 0 EHADMM Cc1cccc(COc2c(C)cc(CNC[C@H](F)C(=O)[O-])cc2C)c1 ZINC000904042574 1031659760 /nfs/dbraw/zinc/65/97/60/1031659760.db2.gz GKLIUMMSNVHDRM-SFHVURJKSA-N -1 1 345.414 3.703 20 0 EHADMM COC1([C@H](NCc2cc(-c3ccccc3)cs2)C(=O)[O-])CCC1 ZINC000904051151 1031675766 /nfs/dbraw/zinc/67/57/66/1031675766.db2.gz SEGCCVBWYJMDJH-MRXNPFEDSA-N -1 1 331.437 3.527 20 0 EHADMM C[C@H](N[C@H]1C[C@@H](NC(=O)[O-])C12CCC2)c1c(F)cccc1Cl ZINC000904225291 1031859848 /nfs/dbraw/zinc/85/98/48/1031859848.db2.gz YJGNKDRRIQAGIE-TVYUQYBPSA-N -1 1 326.799 3.709 20 0 EHADMM O=C([O-])N[C@@H]1C[C@@H](N[C@H](c2ccco2)c2ccccc2)C12CCC2 ZINC000904228886 1031865878 /nfs/dbraw/zinc/86/58/78/1031865878.db2.gz WQGITUNEGCARRO-ZACQAIPSSA-N -1 1 326.396 3.537 20 0 EHADMM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc([O-])cc1F ZINC000163827763 1031969757 /nfs/dbraw/zinc/96/97/57/1031969757.db2.gz RGXSDCNIHMPYAH-ZDUSSCGKSA-N -1 1 349.230 3.843 20 0 EHADMM CCC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1ccc(F)cc1 ZINC000460691522 1031977190 /nfs/dbraw/zinc/97/71/90/1031977190.db2.gz RIDWYYOZCMMDNY-OAHLLOKOSA-N -1 1 341.411 3.898 20 0 EHADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cccc2ncccc21 ZINC000170664155 1033422695 /nfs/dbraw/zinc/42/26/95/1033422695.db2.gz GQPXLUSALREJIB-UHFFFAOYSA-N -1 1 334.347 3.973 20 0 EHADMM O=S(=O)([N-]c1c(O)cccc1F)c1cccc(Cl)c1Cl ZINC000608004197 1033436181 /nfs/dbraw/zinc/43/61/81/1033436181.db2.gz CGEJPLXCIXLMBK-UHFFFAOYSA-N -1 1 336.171 3.639 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]2CCCC[C@H]21 ZINC000044490798 1033497256 /nfs/dbraw/zinc/49/72/56/1033497256.db2.gz JYTJRYWSPSMDCG-SMDDNHRTSA-N -1 1 338.245 3.950 20 0 EHADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000044491244 1033499931 /nfs/dbraw/zinc/49/99/31/1033499931.db2.gz DKSRIYBKTGHEJV-MFKMUULPSA-N -1 1 326.234 3.805 20 0 EHADMM COc1ccc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c(Cl)c1 ZINC000594860214 1033533097 /nfs/dbraw/zinc/53/30/97/1033533097.db2.gz GXPOQSOAHWAQFA-UHFFFAOYSA-N -1 1 347.827 3.783 20 0 EHADMM CC(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445442379 1033763212 /nfs/dbraw/zinc/76/32/12/1033763212.db2.gz CDYBKPRKFSDUMT-UHFFFAOYSA-N -1 1 329.743 3.721 20 0 EHADMM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000431626045 1033774872 /nfs/dbraw/zinc/77/48/72/1033774872.db2.gz SHTJMWFYKVHZRC-MRXNPFEDSA-N -1 1 339.407 3.729 20 0 EHADMM COc1ccc(-c2nc(CN3CCC(C)(C(=O)[O-])CC3)cs2)cc1 ZINC000647375725 1034097666 /nfs/dbraw/zinc/09/76/66/1034097666.db2.gz DLJLKIQDDAKSAS-UHFFFAOYSA-N -1 1 346.452 3.505 20 0 EHADMM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539427 1034169614 /nfs/dbraw/zinc/16/96/14/1034169614.db2.gz SDKFFHCGQLLWKX-NWDGAFQWSA-N -1 1 349.814 3.721 20 0 EHADMM CC(=O)c1[n-]c(=N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000450422324 1034309503 /nfs/dbraw/zinc/30/95/03/1034309503.db2.gz MYEVOBNDOOJTFJ-DZGCQCFKSA-N -1 1 336.844 3.672 20 0 EHADMM CC[C@H](N=c1[n-]c(C(C)=O)c(C)s1)c1ccc(OC)c(OC)c1 ZINC000450531762 1034490730 /nfs/dbraw/zinc/49/07/30/1034490730.db2.gz UVYCJZIBQDEQNL-ZDUSSCGKSA-N -1 1 334.441 3.656 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC000601432955 1034511555 /nfs/dbraw/zinc/51/15/55/1034511555.db2.gz YLMXUCRKXRRNJU-UHFFFAOYSA-N -1 1 340.404 3.558 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456716185 1034655079 /nfs/dbraw/zinc/65/50/79/1034655079.db2.gz XXNQBARJCAJBCF-QGZVFWFLSA-N -1 1 339.370 3.775 20 0 EHADMM Cc1oc([C@H](C)N2CCC[C@@H](c3noc(C(C)C)n3)C2)cc1C(=O)[O-] ZINC000515067289 1034807395 /nfs/dbraw/zinc/80/73/95/1034807395.db2.gz BMXQZMQCBHHYGU-WCQYABFASA-N -1 1 347.415 3.733 20 0 EHADMM CCCCc1cc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)n[nH]1 ZINC000450982552 1035012305 /nfs/dbraw/zinc/01/23/05/1035012305.db2.gz UNKMDADJEUSCRP-UHFFFAOYSA-N -1 1 343.399 3.632 20 0 EHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1csc(-c2cccs2)n1 ZINC000530180432 1035035627 /nfs/dbraw/zinc/03/56/27/1035035627.db2.gz ZPNABINZAGKFNB-QWRGUYRKSA-N -1 1 336.482 3.945 20 0 EHADMM CC1(C)[C@H](c2cccc(F)c2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC000530172323 1035044486 /nfs/dbraw/zinc/04/44/86/1035044486.db2.gz GXIKHZPQRZKKCB-ZDUSSCGKSA-N -1 1 334.416 3.749 20 0 EHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc(F)cc(Br)c1 ZINC000530174254 1035048262 /nfs/dbraw/zinc/04/82/62/1035048262.db2.gz JKKYCQUGVPNLJL-NXEZZACHSA-N -1 1 344.224 3.662 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000024244183 1035335462 /nfs/dbraw/zinc/33/54/62/1035335462.db2.gz JAFWJKZZUPMGGF-UHFFFAOYSA-N -1 1 345.342 3.948 20 0 EHADMM CC[C@H](CNC(=O)c1cc(Cl)c([O-])c(OC)c1)CC(F)(F)F ZINC000414005744 1035353251 /nfs/dbraw/zinc/35/32/51/1035353251.db2.gz OQRNQOLDCSAPPQ-QMMMGPOBSA-N -1 1 339.741 3.763 20 0 EHADMM Cc1nc(S[C@H](C)c2nc(-c3ccccc3)no2)[n-]c(=O)c1C ZINC000540716108 1035604067 /nfs/dbraw/zinc/60/40/67/1035604067.db2.gz XQQBYTXZVGONOK-LLVKDONJSA-N -1 1 328.397 3.702 20 0 EHADMM Cc1nc(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)[n-]c(=O)c1C ZINC000540716513 1035604255 /nfs/dbraw/zinc/60/42/55/1035604255.db2.gz VTJLMJXCQZUHJK-OAHLLOKOSA-N -1 1 345.468 3.579 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000173524055 1035640793 /nfs/dbraw/zinc/64/07/93/1035640793.db2.gz UFVHYIKHBKNLPF-APPDUMDISA-N -1 1 349.789 3.787 20 0 EHADMM CCOc1cc(C(=O)Nc2ccccc2COC)cc(Cl)c1[O-] ZINC000186620629 1035671897 /nfs/dbraw/zinc/67/18/97/1035671897.db2.gz YPWNECCPCDCJCX-UHFFFAOYSA-N -1 1 335.787 3.843 20 0 EHADMM Cc1cccc(C=C([O-])Nc2nc(-c3cccc(Cl)c3)ns2)c1 ZINC000588370266 1035925494 /nfs/dbraw/zinc/92/54/94/1035925494.db2.gz KPLJLWFTVMUQMO-UHFFFAOYSA-N -1 1 343.839 3.770 20 0 EHADMM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000755928742 1035974223 /nfs/dbraw/zinc/97/42/23/1035974223.db2.gz KBDGNTGIWRIOQN-NSHDSACASA-N -1 1 339.304 3.880 20 0 EHADMM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613481548 1036042850 /nfs/dbraw/zinc/04/28/50/1036042850.db2.gz OLTJPOVCVJBDJG-CXAGYDPISA-N -1 1 333.391 3.559 20 0 EHADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc(F)cc1 ZINC000174759235 1036079589 /nfs/dbraw/zinc/07/95/89/1036079589.db2.gz BUYFQDWSJCMLTH-UHFFFAOYSA-N -1 1 333.306 3.731 20 0 EHADMM CC(C)n1c(CNC(=O)c2occc2-c2ccccc2)n[n-]c1=S ZINC000066639440 1036102106 /nfs/dbraw/zinc/10/21/06/1036102106.db2.gz BBWGTKQOQFTWBX-UHFFFAOYSA-N -1 1 342.424 3.712 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1 ZINC000175013532 1036154067 /nfs/dbraw/zinc/15/40/67/1036154067.db2.gz RSHLVZBVBOQWQB-UHFFFAOYSA-N -1 1 347.461 3.728 20 0 EHADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000102320629 1036230828 /nfs/dbraw/zinc/23/08/28/1036230828.db2.gz ZEDHXZULSWUYSE-UHFFFAOYSA-N -1 1 331.437 3.513 20 0 EHADMM CC(C)NC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000192205315 1036504634 /nfs/dbraw/zinc/50/46/34/1036504634.db2.gz ITNIFHZNVZVONV-UHFFFAOYSA-N -1 1 347.802 3.828 20 0 EHADMM CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)on1 ZINC000175970394 1036652441 /nfs/dbraw/zinc/65/24/41/1036652441.db2.gz KMAJZDOGGKCSFQ-UHFFFAOYSA-N -1 1 343.362 3.755 20 0 EHADMM CCOc1cccc2c1OCC(C(=O)Nc1ccc([O-])c(Cl)c1)=C2 ZINC000541887331 1036794801 /nfs/dbraw/zinc/79/48/01/1036794801.db2.gz MCRAXVPOYPWHLR-UHFFFAOYSA-N -1 1 345.782 3.859 20 0 EHADMM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ncccc2[O-])cc1 ZINC000218839812 1036800948 /nfs/dbraw/zinc/80/09/48/1036800948.db2.gz PWKFGTRZGDAHDF-UHFFFAOYSA-N -1 1 332.359 3.579 20 0 EHADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000666314591 1036817539 /nfs/dbraw/zinc/81/75/39/1036817539.db2.gz UNRJFZYZJIIIPG-YOEHRIQHSA-N -1 1 347.365 3.936 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1 ZINC000178226503 1037011644 /nfs/dbraw/zinc/01/16/44/1037011644.db2.gz DKKJMAAQEWKJMR-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1F ZINC000303154064 1037153355 /nfs/dbraw/zinc/15/33/55/1037153355.db2.gz FXJKQXKVZWBMBU-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@@H]3CCCC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000462844121 1037475540 /nfs/dbraw/zinc/47/55/40/1037475540.db2.gz XKSKUEPZCCJVKX-BBRMVZONSA-N -1 1 340.471 3.911 20 0 EHADMM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389008 1037719544 /nfs/dbraw/zinc/71/95/44/1037719544.db2.gz RUGJGDWFTAWVPU-UHFFFAOYSA-N -1 1 344.680 3.784 20 0 EHADMM CCO[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C12CCC2 ZINC000303912017 1037853464 /nfs/dbraw/zinc/85/34/64/1037853464.db2.gz MRUKKXHTMIASLR-QZTJIDSGSA-N -1 1 325.408 3.623 20 0 EHADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ccc12 ZINC000461335106 1038350730 /nfs/dbraw/zinc/35/07/30/1038350730.db2.gz SOAZHGHELOQRKE-UHFFFAOYSA-N -1 1 343.452 3.806 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)c1 ZINC000539113260 1038692339 /nfs/dbraw/zinc/69/23/39/1038692339.db2.gz OLJSUFVXWPOMOH-UHFFFAOYSA-N -1 1 341.436 3.748 20 0 EHADMM CC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)CC(F)(F)F ZINC000416591820 1038817563 /nfs/dbraw/zinc/81/75/63/1038817563.db2.gz IEBWDUHQEFTNJL-QMMMGPOBSA-N -1 1 347.761 3.736 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000164119739 1038870721 /nfs/dbraw/zinc/87/07/21/1038870721.db2.gz MIWBFVMYLFBJDF-HNNXBMFYSA-N -1 1 330.815 3.762 20 0 EHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000539398700 1038892391 /nfs/dbraw/zinc/89/23/91/1038892391.db2.gz JLKDOBFILIYSDJ-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2cnn(C3CCCC3)c2C)c1 ZINC000614049924 1039113672 /nfs/dbraw/zinc/11/36/72/1039113672.db2.gz WVGMAAJNJIKYQT-UHFFFAOYSA-N -1 1 331.441 3.986 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCSC[C@H]1C1CCC1 ZINC000910934466 1039143532 /nfs/dbraw/zinc/14/35/32/1039143532.db2.gz COKFENCIHBGEEJ-KRWDZBQOSA-N -1 1 343.448 3.609 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)sc1C ZINC000480105088 1039159271 /nfs/dbraw/zinc/15/92/71/1039159271.db2.gz RZSFRPBYIFLWDO-UHFFFAOYSA-N -1 1 337.253 3.868 20 0 EHADMM C[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])[C@H]1OCCc2sccc21 ZINC000910987358 1039182054 /nfs/dbraw/zinc/18/20/54/1039182054.db2.gz LFTWZGNSENLFSC-VXJOIVPMSA-N -1 1 339.363 3.621 20 0 EHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H](c1ccncc1)C1CCCC1 ZINC000910986418 1039182120 /nfs/dbraw/zinc/18/21/20/1039182120.db2.gz MFSNRFWBDQSFDF-MRXNPFEDSA-N -1 1 332.350 3.978 20 0 EHADMM Cc1cccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1Cl ZINC000488469053 1039211849 /nfs/dbraw/zinc/21/18/49/1039211849.db2.gz PXRIWHSMJNSMQT-UHFFFAOYSA-N -1 1 341.798 3.925 20 0 EHADMM COc1cc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)ccn1 ZINC000467208958 1039592724 /nfs/dbraw/zinc/59/27/24/1039592724.db2.gz YDQVFXFSTRUWIY-UHFFFAOYSA-N -1 1 339.420 3.854 20 0 EHADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906589907 1039647120 /nfs/dbraw/zinc/64/71/20/1039647120.db2.gz ZRBVLDSPNDVYDY-TZMCWYRMSA-N -1 1 329.400 3.524 20 0 EHADMM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000473320399 1039745341 /nfs/dbraw/zinc/74/53/41/1039745341.db2.gz LKFTWZALYYNSCT-UHFFFAOYSA-N -1 1 330.815 3.635 20 0 EHADMM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ncccc1[O-] ZINC000554856646 1039841726 /nfs/dbraw/zinc/84/17/26/1039841726.db2.gz YGFGSRGMESYOAJ-KRWDZBQOSA-N -1 1 332.831 3.793 20 0 EHADMM CC(=C\c1cccc(C(F)(F)F)c1)/C=C\c1cc(=O)n2[n-]cnc2n1 ZINC000486143578 1039917194 /nfs/dbraw/zinc/91/71/94/1039917194.db2.gz HEBNGICFPFLDIF-GNLLZQBYSA-N -1 1 346.312 3.553 20 0 EHADMM CC(/C=C\c1cc(=O)n2[n-]cnc2n1)=C/c1ccccc1C(F)(F)F ZINC000486147496 1039920357 /nfs/dbraw/zinc/92/03/57/1039920357.db2.gz QVTRBWLCXVDXOU-NJMVCRMVSA-N -1 1 346.312 3.553 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)sc1Cl ZINC000479115921 1039989543 /nfs/dbraw/zinc/98/95/43/1039989543.db2.gz PLENSDQFHKPLGN-UHFFFAOYSA-N -1 1 341.845 3.695 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c(Cl)c1 ZINC000479166752 1040011617 /nfs/dbraw/zinc/01/16/17/1040011617.db2.gz WBEWUJFZJYVWEI-GFCCVEGCSA-N -1 1 341.782 3.658 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(C(C)C)s2)c1 ZINC000417584835 1040033956 /nfs/dbraw/zinc/03/39/56/1040033956.db2.gz OGDADNGCXIRBHU-HNNXBMFYSA-N -1 1 334.441 3.581 20 0 EHADMM COCC[C@H](NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000417596979 1040050512 /nfs/dbraw/zinc/05/05/12/1040050512.db2.gz RPNDIDNAWCJVPF-KRWDZBQOSA-N -1 1 345.439 3.823 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C1CC1 ZINC000417606820 1040057803 /nfs/dbraw/zinc/05/78/03/1040057803.db2.gz LEEGFRUPLBKRFN-HNNXBMFYSA-N -1 1 339.313 3.918 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@H](C)C1(F)F ZINC000899124426 1040061951 /nfs/dbraw/zinc/06/19/51/1040061951.db2.gz GEKFUCYAMMHDQS-QWRGUYRKSA-N -1 1 335.350 3.614 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc2ncsc2c1 ZINC000479487569 1040284995 /nfs/dbraw/zinc/28/49/95/1040284995.db2.gz ZMJGHDWHVXOXQV-UHFFFAOYSA-N -1 1 330.434 3.586 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccoc3C(C)C)[nH][n-]2)c1 ZINC000481072154 1040336217 /nfs/dbraw/zinc/33/62/17/1040336217.db2.gz KTTNOGPEIIDYDW-UHFFFAOYSA-N -1 1 327.359 3.915 20 0 EHADMM COCCOc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)o1 ZINC000899372480 1040410082 /nfs/dbraw/zinc/41/00/82/1040410082.db2.gz VFJDLOLXXPHLJP-UHFFFAOYSA-N -1 1 346.408 3.561 20 0 EHADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908708087 1040602584 /nfs/dbraw/zinc/60/25/84/1040602584.db2.gz OYYLIKPCOOGXGE-MNOVXSKESA-N -1 1 342.233 3.689 20 0 EHADMM CCCN(CC)c1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cn1 ZINC000909976540 1041086682 /nfs/dbraw/zinc/08/66/82/1041086682.db2.gz BHHLZZCIBWVPFZ-UHFFFAOYSA-N -1 1 335.354 3.554 20 0 EHADMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1cc([O-])c(F)cc1F ZINC000909987623 1041122074 /nfs/dbraw/zinc/12/20/74/1041122074.db2.gz ACGZVQGWRWNIRE-ZDUSSCGKSA-N -1 1 333.334 3.898 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(Cl)ccc1F ZINC000156380190 1041156461 /nfs/dbraw/zinc/15/64/61/1041156461.db2.gz 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330.453 3.805 20 0 EHADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000432652893 1044625437 /nfs/dbraw/zinc/62/54/37/1044625437.db2.gz MLLQTJNUPWNZEH-UHFFFAOYSA-N -1 1 342.420 3.807 20 0 EHADMM COC(=O)c1c[n-]c(SCCOc2c(Cl)cccc2Cl)n1 ZINC000432662380 1044633818 /nfs/dbraw/zinc/63/38/18/1044633818.db2.gz ZJTDSHQZPKWXLV-UHFFFAOYSA-N -1 1 347.223 3.674 20 0 EHADMM O=C(Cc1cscc1Br)Nc1c([O-])cccc1F ZINC000645926887 1044858417 /nfs/dbraw/zinc/85/84/17/1044858417.db2.gz HQIHREWDKYUTIJ-UHFFFAOYSA-N -1 1 330.178 3.537 20 0 EHADMM C[C@@H](SCCC[N-]C(=O)C(F)(F)F)c1nc2ccccc2o1 ZINC000183450750 1125569190 /nfs/dbraw/zinc/56/91/90/1125569190.db2.gz BOABBQKTONDQBB-SECBINFHSA-N -1 1 332.347 3.691 20 0 EHADMM CCN(CC)c1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cn1 ZINC000153591699 1125634969 /nfs/dbraw/zinc/63/49/69/1125634969.db2.gz GRPXKVBLSFJGKH-UHFFFAOYSA-N -1 1 349.818 3.548 20 0 EHADMM CCS[C@H]1CCCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153811992 1125663391 /nfs/dbraw/zinc/66/33/91/1125663391.db2.gz NHXXFZDKALWFOF-LBPRGKRZSA-N -1 1 343.876 3.802 20 0 EHADMM C[C@](CO)(NC(=O)c1cc2ccccc2cc1[O-])C1CCCCC1 ZINC000622511022 1126712862 /nfs/dbraw/zinc/71/28/62/1126712862.db2.gz UKQJSCYZWRDQNZ-HXUWFJFHSA-N -1 1 327.424 3.607 20 0 EHADMM CC1(c2ccccc2)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000623034907 1126861082 /nfs/dbraw/zinc/86/10/82/1126861082.db2.gz KDYOOHDZWFWAAF-UHFFFAOYSA-N -1 1 335.325 3.825 20 0 EHADMM CCOc1cc(-c2nc(Cc3c(C)noc3C)no2)cc(Cl)c1[O-] ZINC000350572147 1127087458 /nfs/dbraw/zinc/08/74/58/1127087458.db2.gz DZKYZXFOMDCWQU-UHFFFAOYSA-N -1 1 349.774 3.690 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc(-c4ccncc4)s3)n2)c(F)c1 ZINC000350814010 1127104695 /nfs/dbraw/zinc/10/46/95/1127104695.db2.gz KGMWRGLFKACISM-UHFFFAOYSA-N -1 1 340.339 3.767 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C ZINC000031669252 1127838427 /nfs/dbraw/zinc/83/84/27/1127838427.db2.gz MPVPXPIDPOPKEQ-UHFFFAOYSA-N -1 1 346.452 3.699 20 0 EHADMM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1ccc2ccccc2c1 ZINC000045774196 1127959750 /nfs/dbraw/zinc/95/97/50/1127959750.db2.gz CXHFOUFCXCCTLE-UHFFFAOYSA-N -1 1 349.415 3.826 20 0 EHADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(C)cc1 ZINC000060497381 1128104228 /nfs/dbraw/zinc/10/42/28/1128104228.db2.gz KQIPVHYVCIPRCG-OAHLLOKOSA-N -1 1 343.370 3.842 20 0 EHADMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000060497969 1128104382 /nfs/dbraw/zinc/10/43/82/1128104382.db2.gz ODDYUGVNKUPQPX-OAHLLOKOSA-N -1 1 343.370 3.780 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911164 1128160360 /nfs/dbraw/zinc/16/03/60/1128160360.db2.gz XKQNMTNIIXCKRN-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2ccccc2)CC1 ZINC000068447327 1128267513 /nfs/dbraw/zinc/26/75/13/1128267513.db2.gz HYSCNJQGZIRPPY-UHFFFAOYSA-N -1 1 330.457 3.541 20 0 EHADMM O=S(=O)([N-]CC1CCCCC1)c1cc(Cl)sc1Cl ZINC000069602447 1128288593 /nfs/dbraw/zinc/28/85/93/1128288593.db2.gz XFNDRVYZMZGVRA-UHFFFAOYSA-N -1 1 328.286 3.914 20 0 EHADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000186318239 1128388596 /nfs/dbraw/zinc/38/85/96/1128388596.db2.gz MEQXYRWLXNLXOY-SNVBAGLBSA-N -1 1 330.315 3.594 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000542816635 1128659062 /nfs/dbraw/zinc/65/90/62/1128659062.db2.gz PJYNRURTZDNMET-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM CC1(C)CC(=O)c2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2O1 ZINC000672106836 1128738716 /nfs/dbraw/zinc/73/87/16/1128738716.db2.gz SEPNTGFEBODGFK-UHFFFAOYSA-N -1 1 329.327 3.527 20 0 EHADMM Cc1nc(NC(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1ccccc1 ZINC001670360152 1120019950 /nfs/dbraw/zinc/01/99/50/1120019950.db2.gz AGVORUIXUGVFKA-UHFFFAOYSA-N -1 1 343.774 3.579 20 0 EHADMM O=C(Nc1nc(-c2ccccc2)no1)Nc1ccc([O-])c(Cl)c1 ZINC001670488570 1120078440 /nfs/dbraw/zinc/07/84/40/1120078440.db2.gz TXQJPSGYAVTMLN-UHFFFAOYSA-N -1 1 330.731 3.740 20 0 EHADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(C)cccc2F)on1 ZINC000184930551 1120393403 /nfs/dbraw/zinc/39/34/03/1120393403.db2.gz IRBXOGFMEYDCCB-UHFFFAOYSA-N -1 1 340.420 3.504 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1 ZINC000185334582 1120409467 /nfs/dbraw/zinc/40/94/67/1120409467.db2.gz SBVCYUSSHSKKAZ-UHFFFAOYSA-N -1 1 337.466 3.916 20 0 EHADMM COC(=O)c1c[n-]c(SCc2csc(Nc3ccccc3)n2)n1 ZINC000187591520 1120504402 /nfs/dbraw/zinc/50/44/02/1120504402.db2.gz LWEHYDURWXTPRH-UHFFFAOYSA-N -1 1 346.437 3.689 20 0 EHADMM CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CCC1 ZINC000494367458 1120539856 /nfs/dbraw/zinc/53/98/56/1120539856.db2.gz ZDVGQAFZHOLUPE-UHFFFAOYSA-N -1 1 334.416 3.754 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000191890467 1120702131 /nfs/dbraw/zinc/70/21/31/1120702131.db2.gz BPTNSQKUXUIYJW-UHFFFAOYSA-N -1 1 347.480 3.974 20 0 EHADMM COC(=O)c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1C ZINC000192233386 1120726388 /nfs/dbraw/zinc/72/63/88/1120726388.db2.gz RXGNKPJSVJUQSV-UHFFFAOYSA-N -1 1 334.759 3.785 20 0 EHADMM Cc1cnc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c([O-])c1 ZINC000495055079 1120941082 /nfs/dbraw/zinc/94/10/82/1120941082.db2.gz YRIVMJSZBUSPMY-UHFFFAOYSA-N -1 1 326.371 3.554 20 0 EHADMM [O-]c1ccc(-c2noc(C[C@H]3CCC[C@H](C(F)(F)F)O3)n2)c(F)c1 ZINC000924003847 1120955340 /nfs/dbraw/zinc/95/53/40/1120955340.db2.gz BOUSVIRDAHNZDS-BXKDBHETSA-N -1 1 346.280 3.624 20 0 EHADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000235354923 1121397518 /nfs/dbraw/zinc/39/75/18/1121397518.db2.gz UBHPSMFTURPLAA-GMTAPVOTSA-N -1 1 326.234 3.661 20 0 EHADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000495855827 1121548050 /nfs/dbraw/zinc/54/80/50/1121548050.db2.gz MDDNCQZUMNIZAK-UHFFFAOYSA-N -1 1 348.424 3.591 20 0 EHADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000074837765 1121712902 /nfs/dbraw/zinc/71/29/02/1121712902.db2.gz HZIYKLQQIVKGMK-UHFFFAOYSA-N -1 1 343.452 3.672 20 0 EHADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1 ZINC000074934653 1121713980 /nfs/dbraw/zinc/71/39/80/1121713980.db2.gz KTJPRRDRHGNPGV-UHFFFAOYSA-N -1 1 329.425 3.562 20 0 EHADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 ZINC000032600028 1121966423 /nfs/dbraw/zinc/96/64/23/1121966423.db2.gz HPRAYMBUTDFISU-UHFFFAOYSA-N -1 1 349.305 3.568 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c(C)s1 ZINC000916729691 1122336767 /nfs/dbraw/zinc/33/67/67/1122336767.db2.gz BHQYNQJIBBWMTL-UHFFFAOYSA-N -1 1 344.889 3.885 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ncccc2Cl)c1 ZINC000498215580 1122800916 /nfs/dbraw/zinc/80/09/16/1122800916.db2.gz IACFQTHFIDWTTH-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM CCCCc1nc2ccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)cc2[nH]1 ZINC000262750677 1122827360 /nfs/dbraw/zinc/82/73/60/1122827360.db2.gz YAZLQLHIWCEVJM-JOCQHMNTSA-N -1 1 343.427 3.735 20 0 EHADMM CC1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCCCC1 ZINC000672871386 1129093577 /nfs/dbraw/zinc/09/35/77/1129093577.db2.gz PUOJFTKDGHWGGA-UHFFFAOYSA-N -1 1 329.440 3.784 20 0 EHADMM C[C@@H]1CN(Cc2ccc(Cl)cc2Br)CC[C@@H]1C(=O)[O-] ZINC000311381179 1129098931 /nfs/dbraw/zinc/09/89/31/1129098931.db2.gz NBCUUCRFDKTIBJ-SKDRFNHKSA-N -1 1 346.652 3.645 20 0 EHADMM CCc1onc(C)c1C(=O)[N-]c1nc(-c2sccc2C)ns1 ZINC000131473249 1123116950 /nfs/dbraw/zinc/11/69/50/1123116950.db2.gz MOYTXKWUSIWFRD-UHFFFAOYSA-N -1 1 334.426 3.686 20 0 EHADMM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1c([O-])cccc1F ZINC000672901231 1129103288 /nfs/dbraw/zinc/10/32/88/1129103288.db2.gz FYFAHXAOHDAVNV-UHFFFAOYSA-N -1 1 341.338 3.970 20 0 EHADMM O=C(NCCc1ccc2ccccc2n1)c1c([O-])cccc1Cl ZINC000920455019 1123370856 /nfs/dbraw/zinc/37/08/56/1123370856.db2.gz RHHPKBSBAAQLNU-UHFFFAOYSA-N -1 1 326.783 3.566 20 0 EHADMM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000920461925 1123371835 /nfs/dbraw/zinc/37/18/35/1123371835.db2.gz FXZDWZOAOGUNAZ-CYBMUJFWSA-N -1 1 333.815 3.860 20 0 EHADMM O=C(NCCCCOc1ccc(F)cc1)c1c([O-])cccc1Cl ZINC000920432128 1123372765 /nfs/dbraw/zinc/37/27/65/1123372765.db2.gz KWDBVUSGXHYJEH-UHFFFAOYSA-N -1 1 337.778 3.774 20 0 EHADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000075503630 1123399259 /nfs/dbraw/zinc/39/92/59/1123399259.db2.gz CIJNKQFCAYZVRV-UHFFFAOYSA-N -1 1 349.434 3.694 20 0 EHADMM COc1cc(C(=O)NCc2nc(C(C)C)cs2)cc(Cl)c1[O-] ZINC000135181180 1123589137 /nfs/dbraw/zinc/58/91/37/1123589137.db2.gz AUBUYWQHJPLWFC-UHFFFAOYSA-N -1 1 340.832 3.564 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000135356536 1123604475 /nfs/dbraw/zinc/60/44/75/1123604475.db2.gz AUMMYEGCAMMQAV-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccc([O-])c(F)c2)CO1 ZINC000617459464 1124554475 /nfs/dbraw/zinc/55/44/75/1124554475.db2.gz HIXZYHWABSZHKI-MRXNPFEDSA-N -1 1 343.398 3.741 20 0 EHADMM O=C([O-])CCCCN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000263572078 1124571553 /nfs/dbraw/zinc/57/15/53/1124571553.db2.gz KJLSIWNLNSNFQV-CQSZACIVSA-N -1 1 344.224 3.980 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCCC2(CCCC2)CC1 ZINC000617564249 1124655081 /nfs/dbraw/zinc/65/50/81/1124655081.db2.gz KLYQHNVYQRPZSO-UHFFFAOYSA-N -1 1 345.487 3.975 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)nc1 ZINC000734976445 1131301589 /nfs/dbraw/zinc/30/15/89/1131301589.db2.gz YWTVEOHWPPDNBE-HJWRWDBZSA-N -1 1 340.857 3.870 20 0 EHADMM CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181945837 1125095372 /nfs/dbraw/zinc/09/53/72/1125095372.db2.gz JAJRJVVYMMXVJI-UHFFFAOYSA-N -1 1 334.372 3.557 20 0 EHADMM Cc1cc([C@@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)c(O)cc1Cl ZINC000619369335 1125337384 /nfs/dbraw/zinc/33/73/84/1125337384.db2.gz AFTNNLXIESPKCM-LLVKDONJSA-N -1 1 349.789 3.828 20 0 EHADMM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1sccc1F ZINC000338853566 1129524761 /nfs/dbraw/zinc/52/47/61/1129524761.db2.gz ZJZQLNUBBNZALJ-LLVKDONJSA-N -1 1 347.433 3.542 20 0 EHADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1C ZINC000028249205 1129783702 /nfs/dbraw/zinc/78/37/02/1129783702.db2.gz YPCGNARXQDTJJD-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM C#Cc1cccc(N(C)C(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000186779055 1129820859 /nfs/dbraw/zinc/82/08/59/1129820859.db2.gz PVOBBQPNFIGVSH-UHFFFAOYSA-N -1 1 329.783 3.702 20 0 EHADMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000625496128 1129904479 /nfs/dbraw/zinc/90/44/79/1129904479.db2.gz RKUVNEKHNRNTET-UHFFFAOYSA-N -1 1 331.837 3.751 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c1 ZINC000509206152 1129974431 /nfs/dbraw/zinc/97/44/31/1129974431.db2.gz UFKNNVXEKZURCS-UHFFFAOYSA-N -1 1 339.486 3.521 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000171341005 1130047094 /nfs/dbraw/zinc/04/70/94/1130047094.db2.gz JPUPGWDKGFVXRK-UHFFFAOYSA-N -1 1 327.352 3.571 20 0 EHADMM O=C(CCCOc1ccc2c(c1)CCC2)Nc1c([O-])cccc1F ZINC000676051094 1130519397 /nfs/dbraw/zinc/51/93/97/1130519397.db2.gz MQMAJEMRLMEWLF-UHFFFAOYSA-N -1 1 329.371 3.818 20 0 EHADMM CSc1cccc(F)c1CNC(=O)c1c([O-])cccc1Cl ZINC000804141078 1130570095 /nfs/dbraw/zinc/57/00/95/1130570095.db2.gz GTNSRJWKLLUEDN-UHFFFAOYSA-N -1 1 325.792 3.837 20 0 EHADMM O=C(OCCCOCC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000730359796 1130702989 /nfs/dbraw/zinc/70/29/89/1130702989.db2.gz OGVCBMPZVKYYGH-UHFFFAOYSA-N -1 1 347.116 3.825 20 0 EHADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccccc1F ZINC000730360980 1130703225 /nfs/dbraw/zinc/70/32/25/1130703225.db2.gz VTSUOHHAEJWLAJ-UHFFFAOYSA-N -1 1 343.137 3.878 20 0 EHADMM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000734353369 1131228495 /nfs/dbraw/zinc/22/84/95/1131228495.db2.gz LLUHJSPAEYYVJK-SFHVURJKSA-N -1 1 345.826 3.943 20 0 EHADMM CCN1CCc2ccc(-c3noc(-c4ncc(C(F)(F)F)[n-]4)n3)cc21 ZINC001212689948 1131901368 /nfs/dbraw/zinc/90/13/68/1131901368.db2.gz VBGSTHLPNQBJEQ-UHFFFAOYSA-N -1 1 349.316 3.528 20 0 EHADMM CCN1CCc2ccc(-c3noc(-c4nc(C(F)(F)F)c[n-]4)n3)cc21 ZINC001212689948 1131901371 /nfs/dbraw/zinc/90/13/71/1131901371.db2.gz VBGSTHLPNQBJEQ-UHFFFAOYSA-N -1 1 349.316 3.528 20 0 EHADMM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([O-])cc1F ZINC000181045969 1131951517 /nfs/dbraw/zinc/95/15/17/1131951517.db2.gz MWXSOHKLQGRUGH-UHFFFAOYSA-N -1 1 327.277 3.822 20 0 EHADMM CO[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC000743677648 1131961388 /nfs/dbraw/zinc/96/13/88/1131961388.db2.gz FGUIPPLGXXVVBV-AWEZNQCLSA-N -1 1 340.206 3.817 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2cc(Cl)c(F)c(Cl)c2)no1 ZINC001212721452 1132056885 /nfs/dbraw/zinc/05/68/85/1132056885.db2.gz RBNWINZOCICZAP-UHFFFAOYSA-N -1 1 326.114 3.950 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=Cc2cccc(F)c2)c1 ZINC000744490339 1132104480 /nfs/dbraw/zinc/10/44/80/1132104480.db2.gz PZMDHMOZQDIYJZ-YVMONPNESA-N -1 1 328.339 3.533 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C(C)c2cccc(F)c2)c1 ZINC000745003333 1132178630 /nfs/dbraw/zinc/17/86/30/1132178630.db2.gz FLDQCLYNIIWBIO-JLHYYAGUSA-N -1 1 342.366 3.923 20 0 EHADMM CCC(CC)(C[N-]S(=O)(=O)c1c(F)cccc1Cl)SC ZINC000766508190 1132576012 /nfs/dbraw/zinc/57/60/12/1132576012.db2.gz JQNDQAUIZIJBMV-UHFFFAOYSA-N -1 1 339.885 3.679 20 0 EHADMM O=C(Nc1ccccc1[C@@H]1CCC(=O)N1)c1cc2ccccc2cc1[O-] ZINC001168856258 1132582037 /nfs/dbraw/zinc/58/20/37/1132582037.db2.gz NLFWNBJXDKBHAI-SFHVURJKSA-N -1 1 346.386 3.749 20 0 EHADMM CC(C)OC(=O)c1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001175258770 1132619361 /nfs/dbraw/zinc/61/93/61/1132619361.db2.gz RZMMXCKRVGMURR-UHFFFAOYSA-N -1 1 339.347 3.807 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000766581288 1132649732 /nfs/dbraw/zinc/64/97/32/1132649732.db2.gz REDKXAPABWHLMX-UHFFFAOYSA-N -1 1 333.453 3.931 20 0 EHADMM Cc1[nH]nc2ccc(Nc3cc(S(=O)(=O)[O-])ccc3Cl)cc12 ZINC001175702147 1132732114 /nfs/dbraw/zinc/73/21/14/1132732114.db2.gz LUZAZHGOPVJQQK-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(OC)c2Cl)c1 ZINC001175894112 1132782622 /nfs/dbraw/zinc/78/26/22/1132782622.db2.gz ABVMBWKAXUDLRF-UHFFFAOYSA-N -1 1 341.816 3.591 20 0 EHADMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC001176099437 1132846486 /nfs/dbraw/zinc/84/64/86/1132846486.db2.gz BBCRUROUMPJXNL-UHFFFAOYSA-N -1 1 346.452 3.699 20 0 EHADMM CN(C)C(=O)c1cc(Nc2ccc(F)c(F)c2[O-])ccc1Cl ZINC001176153635 1132865842 /nfs/dbraw/zinc/86/58/42/1132865842.db2.gz APGYGYBRGJERKV-UHFFFAOYSA-N -1 1 326.730 3.769 20 0 EHADMM COc1cccc([C@@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2(C)C)c1 ZINC001176416527 1132933842 /nfs/dbraw/zinc/93/38/42/1132933842.db2.gz ROJRFWYJXFXMRD-INIZCTEOSA-N -1 1 343.398 3.948 20 0 EHADMM CCOC(=O)c1nnsc1[N-]c1cc(Cl)ccc1OC(C)C ZINC001176642773 1132975398 /nfs/dbraw/zinc/97/53/98/1132975398.db2.gz KQAGLASWCLUQBA-UHFFFAOYSA-N -1 1 341.820 3.899 20 0 EHADMM CC(C)(C)Oc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001176641285 1132975631 /nfs/dbraw/zinc/97/56/31/1132975631.db2.gz SAAQKCCGTDVPMI-UHFFFAOYSA-N -1 1 335.425 3.717 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2nc(F)ccc2Br)c1F ZINC001176663878 1132978381 /nfs/dbraw/zinc/97/83/81/1132978381.db2.gz OFNKQOZODGONAU-UHFFFAOYSA-N -1 1 337.070 3.850 20 0 EHADMM CCOC(=O)c1ncc(Cl)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663863 1132978586 /nfs/dbraw/zinc/97/85/86/1132978586.db2.gz OACQYIIFYHWVDW-UHFFFAOYSA-N -1 1 346.692 3.778 20 0 EHADMM COc1cc(Br)nc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176663907 1132978715 /nfs/dbraw/zinc/97/87/15/1132978715.db2.gz PEGHMFGALYCUOD-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM O=C1CCOc2c(Nc3c(F)cc(F)c([O-])c3F)ccc(F)c21 ZINC001176673234 1132979722 /nfs/dbraw/zinc/97/97/22/1132979722.db2.gz VAAADERATGYPDR-UHFFFAOYSA-N -1 1 327.233 3.657 20 0 EHADMM O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc([O-])c(F)c1 ZINC000767299181 1132980031 /nfs/dbraw/zinc/98/00/31/1132980031.db2.gz OKGOHLTVUXDSGN-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM CCC=C(C(=O)N(C)CC)c1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC001177417037 1133063541 /nfs/dbraw/zinc/06/35/41/1133063541.db2.gz IFTCQHGBRTWNOS-LUAWRHEFSA-N -1 1 339.461 3.762 20 0 EHADMM COc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1Cl ZINC000768289253 1133122011 /nfs/dbraw/zinc/12/20/11/1133122011.db2.gz UHUCTDSTOCRJOR-UHFFFAOYSA-N -1 1 326.179 3.638 20 0 EHADMM Cc1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccc12 ZINC001178594430 1133180588 /nfs/dbraw/zinc/18/05/88/1133180588.db2.gz TXBAJXNATUWNEK-UHFFFAOYSA-N -1 1 348.328 3.856 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)C1(Sc2ccccc2)CC1 ZINC001178785240 1133198881 /nfs/dbraw/zinc/19/88/81/1133198881.db2.gz QYARIKHCKFWYLD-UHFFFAOYSA-N -1 1 349.402 3.654 20 0 EHADMM CCc1cc2c(COC(=O)c3ccoc3Cl)cc(=O)oc2cc1[O-] ZINC000768961039 1133214102 /nfs/dbraw/zinc/21/41/02/1133214102.db2.gz ZSCSQRKNXDMNIT-UHFFFAOYSA-N -1 1 348.738 3.664 20 0 EHADMM Cc1ccc([S@@](C)(=O)=NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001179389448 1133249626 /nfs/dbraw/zinc/24/96/26/1133249626.db2.gz JHAGKIQBGRKZNT-JOCHJYFZSA-N -1 1 337.828 3.580 20 0 EHADMM O=C(C[C@H]1CCCN1C(=O)c1c([O-])cccc1Cl)c1ccco1 ZINC000769982347 1133371918 /nfs/dbraw/zinc/37/19/18/1133371918.db2.gz FCPKJDSHQUNFQP-LLVKDONJSA-N -1 1 333.771 3.516 20 0 EHADMM COc1cc(-c2noc(/C=C\SC)n2)cc(Br)c1[O-] ZINC000771229460 1133523917 /nfs/dbraw/zinc/52/39/17/1133523917.db2.gz MFLDYRUPDPMPEY-ARJAWSKDSA-N -1 1 343.202 3.547 20 0 EHADMM O=C(CCCc1ccccc1)Nc1nc(Br)ccc1[O-] ZINC000771575645 1133572478 /nfs/dbraw/zinc/57/24/78/1133572478.db2.gz XWLORURHAFMGNX-UHFFFAOYSA-N -1 1 335.201 3.511 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2ccc3n[nH]cc3c2)c([O-])c1 ZINC001182241414 1133606034 /nfs/dbraw/zinc/60/60/34/1133606034.db2.gz KICFETJSTXTZLQ-UHFFFAOYSA-N -1 1 325.368 3.700 20 0 EHADMM Cc1[nH]c2ncccc2c1CC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001182621865 1133706398 /nfs/dbraw/zinc/70/63/98/1133706398.db2.gz QMCXEVDIPHBICY-UHFFFAOYSA-N -1 1 349.312 3.777 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000785555070 1133721588 /nfs/dbraw/zinc/72/15/88/1133721588.db2.gz LHBQGGWRKZNYQY-LBPRGKRZSA-N -1 1 349.814 3.560 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000786099221 1133800539 /nfs/dbraw/zinc/80/05/39/1133800539.db2.gz KSUIUBDTQDFAJP-UHFFFAOYSA-N -1 1 341.379 3.614 20 0 EHADMM CC(C)[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)[C@@H]1C(C)C ZINC001183459261 1133809768 /nfs/dbraw/zinc/80/97/68/1133809768.db2.gz BPTWNWKDOZLNIU-SWLSCSKDSA-N -1 1 340.261 3.907 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccc(OC(F)(F)Cl)cc1 ZINC000787472735 1134011376 /nfs/dbraw/zinc/01/13/76/1134011376.db2.gz FBQUNOPOLINYRF-UHFFFAOYSA-N -1 1 331.677 3.952 20 0 EHADMM O=C(Nc1cc(=O)[n-]n1C1CCCC1)Nc1ccc(F)c(F)c1F ZINC001185291148 1134064544 /nfs/dbraw/zinc/06/45/44/1134064544.db2.gz DKMBEYQKEUMJAM-UHFFFAOYSA-N -1 1 340.305 3.765 20 0 EHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000788112282 1134086200 /nfs/dbraw/zinc/08/62/00/1134086200.db2.gz QQZCBOBYSLOUOP-UHFFFAOYSA-N -1 1 338.644 3.768 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185530108 1134104469 /nfs/dbraw/zinc/10/44/69/1134104469.db2.gz SWEXRGJUNLXEJT-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1F ZINC001185531630 1134104531 /nfs/dbraw/zinc/10/45/31/1134104531.db2.gz FSWLUZMLYXDBLR-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM C[C@@H]1CN(C(=O)c2cccc([S-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC001186131527 1134173320 /nfs/dbraw/zinc/17/33/20/1134173320.db2.gz IFLNNDRUHZLEKQ-CVEARBPZSA-N -1 1 340.492 3.710 20 0 EHADMM Nc1cc(F)c(C(F)(F)F)cc1NC(=O)c1ccc([O-])cc1F ZINC001186329160 1134195214 /nfs/dbraw/zinc/19/52/14/1134195214.db2.gz NFKGMDNKPMCYIJ-UHFFFAOYSA-N -1 1 332.228 3.524 20 0 EHADMM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc([O-])cc1F ZINC001186328800 1134196116 /nfs/dbraw/zinc/19/61/16/1134196116.db2.gz KDVWXDNSDBHZMU-UHFFFAOYSA-N -1 1 331.343 3.739 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(F)cc(Br)c1 ZINC000789929721 1134345143 /nfs/dbraw/zinc/34/51/43/1134345143.db2.gz DFKZZAKAXXZPKB-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM O=C(Cc1ccccc1C(F)(F)F)Nc1nc(Cl)ccc1[O-] ZINC000789930515 1134345209 /nfs/dbraw/zinc/34/52/09/1134345209.db2.gz UBBWCMHCAPCTQM-UHFFFAOYSA-N -1 1 330.693 3.641 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000789930003 1134346306 /nfs/dbraw/zinc/34/63/06/1134346306.db2.gz MJIDJLMZDMQHAX-UHFFFAOYSA-N -1 1 349.177 3.736 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cnn(-c2ccccc2Cl)c1 ZINC000790050748 1134365467 /nfs/dbraw/zinc/36/54/67/1134365467.db2.gz IEVDNHRYZRXRDV-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000790048310 1134365734 /nfs/dbraw/zinc/36/57/34/1134365734.db2.gz SEGNBGWJRFBWAF-CYBMUJFWSA-N -1 1 332.787 3.587 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000790056978 1134366854 /nfs/dbraw/zinc/36/68/54/1134366854.db2.gz RMSIQSSGNBAZSK-HTQZYQBOSA-N -1 1 342.704 3.600 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC001187700232 1134370736 /nfs/dbraw/zinc/37/07/36/1134370736.db2.gz VDZLXNSNVAHPMM-UHFFFAOYSA-N -1 1 338.722 3.615 20 0 EHADMM O=C(NCc1cc(F)c(Cl)cc1F)c1c([O-])cccc1Cl ZINC000790229668 1134388789 /nfs/dbraw/zinc/38/87/89/1134388789.db2.gz PMEHCUKYHWJKCD-UHFFFAOYSA-N -1 1 332.133 3.907 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)ccc1OC(F)(F)F)C1CCC1 ZINC001188138332 1134432118 /nfs/dbraw/zinc/43/21/18/1134432118.db2.gz VZNOLFHCEREHKZ-UHFFFAOYSA-N -1 1 329.727 3.533 20 0 EHADMM CC[C@@H](C)[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188193677 1134438972 /nfs/dbraw/zinc/43/89/72/1134438972.db2.gz HYRXYUJVOFSAIU-SECBINFHSA-N -1 1 344.864 3.856 20 0 EHADMM Cc1nc2ccccn2c1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188564700 1134477112 /nfs/dbraw/zinc/47/71/12/1134477112.db2.gz ZVESRIBLKYGQFM-UHFFFAOYSA-N -1 1 335.285 3.619 20 0 EHADMM CCOC(=O)c1cccc(NC(=O)Nc2cccc([O-])c2Cl)c1 ZINC001188672918 1134498089 /nfs/dbraw/zinc/49/80/89/1134498089.db2.gz SDSJALXADVPYNE-UHFFFAOYSA-N -1 1 334.759 3.866 20 0 EHADMM O=C(NCC(=O)c1ccc([O-])cc1)Nc1cc(Cl)ccc1Cl ZINC001189015646 1134532985 /nfs/dbraw/zinc/53/29/85/1134532985.db2.gz PWTADBPHFURCMP-UHFFFAOYSA-N -1 1 339.178 3.703 20 0 EHADMM COC(=O)c1c[n-]c(SCc2cc(Cl)cc(Cl)c2F)n1 ZINC001189166594 1134552951 /nfs/dbraw/zinc/55/29/51/1134552951.db2.gz SOMNLACDCBGSAV-UHFFFAOYSA-N -1 1 335.187 3.935 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)ccc1CO ZINC001189388465 1134579063 /nfs/dbraw/zinc/57/90/63/1134579063.db2.gz HDPVKYKSIXWFGC-UHFFFAOYSA-N -1 1 345.395 3.580 20 0 EHADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189390092 1134579109 /nfs/dbraw/zinc/57/91/09/1134579109.db2.gz SESPQFWSFFBTON-UHFFFAOYSA-N -1 1 344.411 3.846 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(F)n1 ZINC001189354915 1134580039 /nfs/dbraw/zinc/58/00/39/1134580039.db2.gz BLEZAFFTXYQCEH-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM CSc1ccccc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189455053 1134590113 /nfs/dbraw/zinc/59/01/13/1134590113.db2.gz YJFDFFQYHSWSBP-UHFFFAOYSA-N -1 1 329.393 3.629 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2C[C@H](C)CC(C)(C)C2)sn1 ZINC001189822755 1134630013 /nfs/dbraw/zinc/63/00/13/1134630013.db2.gz SLECWPDEPDFJAL-WCQYABFASA-N -1 1 330.519 3.582 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2CO)cc1 ZINC001190447823 1134702461 /nfs/dbraw/zinc/70/24/61/1134702461.db2.gz PJVQGHVCVJHJTO-UHFFFAOYSA-N -1 1 347.480 3.976 20 0 EHADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)c(C)cc2F)c1 ZINC001191192720 1134823766 /nfs/dbraw/zinc/82/37/66/1134823766.db2.gz NRQKAWWFQLHBJA-UHFFFAOYSA-N -1 1 348.374 3.931 20 0 EHADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)c2)cc1 ZINC001191451612 1134860833 /nfs/dbraw/zinc/86/08/33/1134860833.db2.gz GUUOHKUICFXKPS-UHFFFAOYSA-N -1 1 345.420 3.542 20 0 EHADMM CC(C)CN(CCC[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC001191610663 1134896847 /nfs/dbraw/zinc/89/68/47/1134896847.db2.gz OYHQJWPJWWUYCU-UHFFFAOYSA-N -1 1 336.785 3.871 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1F ZINC001191828097 1134933099 /nfs/dbraw/zinc/93/30/99/1134933099.db2.gz IOMUAUXXIQLTCB-UHFFFAOYSA-N -1 1 341.379 3.781 20 0 EHADMM COc1cccc(C)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191894560 1134940326 /nfs/dbraw/zinc/94/03/26/1134940326.db2.gz YGJTUCYBJYGNLF-UHFFFAOYSA-N -1 1 343.807 3.738 20 0 EHADMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cc([O-])cc(F)c1F ZINC001192685266 1135045196 /nfs/dbraw/zinc/04/51/96/1135045196.db2.gz ZXVACJSHSDOJRT-TZOHYUNLSA-N -1 1 343.373 3.983 20 0 EHADMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(C)cc2F)c1 ZINC001192816867 1135058926 /nfs/dbraw/zinc/05/89/26/1135058926.db2.gz XXEHCGHIWIWWPJ-UHFFFAOYSA-N -1 1 341.379 3.645 20 0 EHADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(Cl)cc(Cl)c1Cl ZINC001193260653 1135118988 /nfs/dbraw/zinc/11/89/88/1135118988.db2.gz DVGGLNZAWJEYMQ-MRVPVSSYSA-N -1 1 344.647 3.568 20 0 EHADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)c1 ZINC001193435009 1135138951 /nfs/dbraw/zinc/13/89/51/1135138951.db2.gz XDGLBTWUGUFXEG-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM C[C@@H](O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1F ZINC000804802449 1135195383 /nfs/dbraw/zinc/19/53/83/1135195383.db2.gz GKPNOASISZNGQZ-MRVPVSSYSA-N -1 1 343.276 3.856 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cncnc3c2)c2ccccc12 ZINC001193865328 1135198492 /nfs/dbraw/zinc/19/84/92/1135198492.db2.gz ZOGVLHBFNDXSMB-UHFFFAOYSA-N -1 1 349.415 3.892 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)OC(C)C)c1 ZINC001194639978 1135295559 /nfs/dbraw/zinc/29/55/59/1135295559.db2.gz XMRQLDLAMGDTGX-UHFFFAOYSA-N -1 1 347.436 3.669 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2c(C)cccc2C)ccc1Cl ZINC001194638252 1135295658 /nfs/dbraw/zinc/29/56/58/1135295658.db2.gz JJEMEPOCCLTORN-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM O=C([N-]c1cc(Cl)cc2ncoc21)c1ncnc(Cl)c1Cl ZINC001195030946 1135356503 /nfs/dbraw/zinc/35/65/03/1135356503.db2.gz GDKDUKNKMUUHQG-UHFFFAOYSA-N -1 1 343.557 3.830 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3cncnc3c2)c1 ZINC001195159395 1135384650 /nfs/dbraw/zinc/38/46/50/1135384650.db2.gz PPFCUJASXIFDRU-UHFFFAOYSA-N -1 1 327.409 3.554 20 0 EHADMM C[C@@H](NC(=O)c1cc([O-])cnc1Cl)c1cccc(Cl)c1F ZINC001195305318 1135409779 /nfs/dbraw/zinc/40/97/79/1135409779.db2.gz DMYACFVNWZBZML-SSDOTTSWSA-N -1 1 329.158 3.724 20 0 EHADMM [O-]c1cccc(NC(=S)NCc2ccccc2)c1Br ZINC001195634462 1135445461 /nfs/dbraw/zinc/44/54/61/1135445461.db2.gz 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ZINC001200922802 1135965932 /nfs/dbraw/zinc/96/59/32/1135965932.db2.gz NXTYXSRMTITUKF-UHFFFAOYSA-N -1 1 348.330 3.586 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1C ZINC000811836366 1136143152 /nfs/dbraw/zinc/14/31/52/1136143152.db2.gz QGRAPMOQCLXXFK-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000107240607 1136164087 /nfs/dbraw/zinc/16/40/87/1136164087.db2.gz VZPJMKLMKSGTAQ-MBNYWOFBSA-N -1 1 330.211 3.671 20 0 EHADMM CCCc1nc(C)c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)s1 ZINC000776742472 1136617024 /nfs/dbraw/zinc/61/70/24/1136617024.db2.gz JLEOAVYCSYFFGR-MDZDMXLPSA-N -1 1 340.445 3.956 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C)c(=O)[n-]1 ZINC000816225044 1136690016 /nfs/dbraw/zinc/69/00/16/1136690016.db2.gz NPLRQRYESYGRAT-JTNHKYCSSA-N -1 1 338.473 3.513 20 0 EHADMM CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC001135482782 1136695124 /nfs/dbraw/zinc/69/51/24/1136695124.db2.gz JHAOCOYYHSEEDO-UHFFFAOYSA-N -1 1 335.359 3.974 20 0 EHADMM COc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Cc1ccccc1 ZINC001136098219 1136856456 /nfs/dbraw/zinc/85/64/56/1136856456.db2.gz ZATAWLFTQCBTQD-UHFFFAOYSA-N -1 1 349.386 3.950 20 0 EHADMM Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001136191025 1136916821 /nfs/dbraw/zinc/91/68/21/1136916821.db2.gz XBBRQYORHSJFMJ-AWEZNQCLSA-N -1 1 335.407 3.908 20 0 EHADMM CN(c1cc(Cl)[n-]c(=O)n1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000858545962 1136977906 /nfs/dbraw/zinc/97/79/06/1136977906.db2.gz LXICGSVIVHDECG-QWHCGFSZSA-N -1 1 333.819 3.518 20 0 EHADMM O=c1nc(N2CCC(Cc3cc(F)cc(F)c3)CC2)cc(Cl)[n-]1 ZINC000858564875 1136978774 /nfs/dbraw/zinc/97/87/74/1136978774.db2.gz XDZPLCLHQHZRLC-UHFFFAOYSA-N -1 1 339.773 3.573 20 0 EHADMM Cc1nc(=O)[nH]c([S-])c1C(=O)Nc1cccc(-c2cccs2)c1 ZINC001136533938 1137048167 /nfs/dbraw/zinc/04/81/67/1137048167.db2.gz UKYYPLVZIIILIL-UHFFFAOYSA-N -1 1 343.433 3.760 20 0 EHADMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1c([O-])cccc1Cl ZINC000772874127 1137111444 /nfs/dbraw/zinc/11/14/44/1137111444.db2.gz VGBWATXBGAHAJY-DYVFJYSZSA-N -1 1 331.799 3.553 20 0 EHADMM CC(C)(NC(=O)c1ccc2ccc(O)cc2c1[O-])c1cccs1 ZINC001136808550 1137120754 /nfs/dbraw/zinc/12/07/54/1137120754.db2.gz KLQZJMDALJLHOA-UHFFFAOYSA-N -1 1 327.405 3.978 20 0 EHADMM Cc1cc(C(F)(F)C(=O)[N-]CC=C(Cl)Cl)cnc1Cl ZINC000824169854 1137127450 /nfs/dbraw/zinc/12/74/50/1137127450.db2.gz YQXLQLWAPRNXDQ-UHFFFAOYSA-N -1 1 329.561 3.570 20 0 EHADMM O=C1C(=Cc2ccc([O-])c(Cl)c2)NC(=S)N1Cc1ccccc1 ZINC000013914375 1137127826 /nfs/dbraw/zinc/12/78/26/1137127826.db2.gz BCGMDJUJBMSGSS-ZROIWOOFSA-N -1 1 344.823 3.715 20 0 EHADMM CN(C(=O)c1ccc2n[n-]c(=S)n2c1)C1CCC(C(C)(C)C)CC1 ZINC000825432857 1137176196 /nfs/dbraw/zinc/17/61/96/1137176196.db2.gz QQCIXSBNNPSOAZ-UHFFFAOYSA-N -1 1 346.500 3.695 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCC2CC2)cc1 ZINC000119571678 1137197810 /nfs/dbraw/zinc/19/78/10/1137197810.db2.gz QNECZTTWDVXHNZ-UHFFFAOYSA-N -1 1 344.484 3.613 20 0 EHADMM COc1ccc([C@H]2CCN(C(=O)c3c([O-])cccc3Cl)C2)cc1F ZINC000863694815 1137199908 /nfs/dbraw/zinc/19/99/08/1137199908.db2.gz UJBTUIBOFOQFSM-LBPRGKRZSA-N -1 1 349.789 3.823 20 0 EHADMM CC(C)(C)c1ncc(CNCc2cccc(CCC(=O)[O-])c2)s1 ZINC000864517987 1137231607 /nfs/dbraw/zinc/23/16/07/1137231607.db2.gz SCDRBGVRLJINET-UHFFFAOYSA-N -1 1 332.469 3.748 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(OCc3ccccc3)CC2)c(F)c1 ZINC001144554947 1137308783 /nfs/dbraw/zinc/30/87/83/1137308783.db2.gz NPIWKLGGJHUQAH-UHFFFAOYSA-N -1 1 333.378 3.852 20 0 EHADMM Cc1cccc(N2CCN(Cc3c(F)cc([O-])cc3F)CC2)c1C ZINC001144554883 1137308864 /nfs/dbraw/zinc/30/88/64/1137308864.db2.gz KWGKLPRODXUGMI-UHFFFAOYSA-N -1 1 332.394 3.609 20 0 EHADMM CCOC(=O)CN(Cc1c(F)cc([O-])cc1F)[C@H](C)c1ccccc1 ZINC001144562048 1137310313 /nfs/dbraw/zinc/31/03/13/1137310313.db2.gz WNBIJVRFDBBUOG-CYBMUJFWSA-N -1 1 349.377 3.797 20 0 EHADMM [O-]c1cc(F)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1F ZINC001144651317 1137322810 /nfs/dbraw/zinc/32/28/10/1137322810.db2.gz LXOLCAKYZYNOKR-UHFFFAOYSA-N -1 1 338.785 3.646 20 0 EHADMM O=C([O-])c1ccsc1CN1CCC(C(=O)c2ccccc2F)CC1 ZINC001144685063 1137329551 /nfs/dbraw/zinc/32/95/51/1137329551.db2.gz VJEZCMXYSIZTCH-UHFFFAOYSA-N -1 1 347.411 3.680 20 0 EHADMM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cc(F)ccc2[O-])ccn1 ZINC001146906846 1137397003 /nfs/dbraw/zinc/39/70/03/1137397003.db2.gz QIXFRHODPNMKOP-ZDUSSCGKSA-N -1 1 346.402 3.670 20 0 EHADMM O=C(NCc1ccccc1OCC1CC1)c1cc(Cl)ccc1[O-] ZINC001147472401 1137407003 /nfs/dbraw/zinc/40/70/03/1137407003.db2.gz XRRFOHUQLFTPEZ-UHFFFAOYSA-N -1 1 331.799 3.764 20 0 EHADMM CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])C1(C)C ZINC001147896762 1137413906 /nfs/dbraw/zinc/41/39/06/1137413906.db2.gz UBMHONSEUBSVLW-OXJNMPFZSA-N -1 1 343.423 3.527 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001148014392 1137416402 /nfs/dbraw/zinc/41/64/02/1137416402.db2.gz JJCRRCKZBWCZDA-UHFFFAOYSA-N -1 1 337.753 3.639 20 0 EHADMM CC(C)C[C@H]1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C1 ZINC001148547388 1137427597 /nfs/dbraw/zinc/42/75/97/1137427597.db2.gz KWNAEQDZXJTDLO-CQSZACIVSA-N -1 1 341.407 3.973 20 0 EHADMM O=C(NCCc1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1[O-] ZINC001148731573 1137432506 /nfs/dbraw/zinc/43/25/06/1137432506.db2.gz FGYASEATGDAGCW-UHFFFAOYSA-N -1 1 345.267 3.662 20 0 EHADMM Cc1cc(C)c(CNC(=O)c2cccc(-c3ccccc3)c2[O-])c(=O)[nH]1 ZINC001148869643 1137436668 /nfs/dbraw/zinc/43/66/68/1137436668.db2.gz NEPQDXSUWXSMAJ-UHFFFAOYSA-N -1 1 348.402 3.707 20 0 EHADMM CCCCC(=O)[C@H](C)NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148873000 1137437112 /nfs/dbraw/zinc/43/71/12/1137437112.db2.gz PIERYHLEANZJSB-AWEZNQCLSA-N -1 1 325.408 3.937 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)OCc1ccn(C2CCCC2)n1 ZINC000869736572 1137464728 /nfs/dbraw/zinc/46/47/28/1137464728.db2.gz KQYHHADACTVYPP-UHFFFAOYSA-N -1 1 334.803 3.643 20 0 EHADMM O=c1cc(CN2CCc3sc(Cl)cc3C2)c2ccc([O-])cc2o1 ZINC001171532820 1137493890 /nfs/dbraw/zinc/49/38/90/1137493890.db2.gz JMGSPUVTOJYCRH-UHFFFAOYSA-N -1 1 347.823 3.772 20 0 EHADMM COc1cccc(CC2CCN(C(=O)c3ccc(F)c([O-])c3)CC2)c1 ZINC001171597952 1137500252 /nfs/dbraw/zinc/50/02/52/1137500252.db2.gz APGLITJAQCQPAM-UHFFFAOYSA-N -1 1 343.398 3.635 20 0 EHADMM CCOC(=O)c1cc([N-]c2c(F)cc(F)c(OC(C)C)c2F)on1 ZINC001212645296 1137540432 /nfs/dbraw/zinc/54/04/32/1137540432.db2.gz PRWYQKHKRQREBM-UHFFFAOYSA-N -1 1 344.289 3.799 20 0 EHADMM COc1ccccc1[C@H]1CSCCCN1Cc1ccoc1C(=O)[O-] ZINC000872168602 1137575006 /nfs/dbraw/zinc/57/50/06/1137575006.db2.gz WGEODXQNUGPZSD-OAHLLOKOSA-N -1 1 347.436 3.667 20 0 EHADMM COc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1F ZINC000872407484 1137579483 /nfs/dbraw/zinc/57/94/83/1137579483.db2.gz UULCHLKMXXZCMS-UHFFFAOYSA-N -1 1 339.363 3.652 20 0 EHADMM CCc1nc([C@@H](C)NC(=O)NCc2ccc([O-])c(Cl)c2)cs1 ZINC000872888895 1137586102 /nfs/dbraw/zinc/58/61/02/1137586102.db2.gz SIBOCSNALRABLZ-SECBINFHSA-N -1 1 339.848 3.625 20 0 EHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccsc1C(F)(F)F ZINC000875616924 1137635959 /nfs/dbraw/zinc/63/59/59/1137635959.db2.gz VBWPVHZNRWTMFD-UHFFFAOYSA-N -1 1 342.245 3.917 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCCCC(C)(C)C)c1 ZINC000126693200 1137688211 /nfs/dbraw/zinc/68/82/11/1137688211.db2.gz VFMZDQWBTSWAAJ-UHFFFAOYSA-N -1 1 346.500 3.859 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2scnc2Cl)CC1 ZINC000878207733 1137707140 /nfs/dbraw/zinc/70/71/40/1137707140.db2.gz WTDOXJNXAQCVKJ-UHFFFAOYSA-N -1 1 336.844 3.597 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888820653 1137781296 /nfs/dbraw/zinc/78/12/96/1137781296.db2.gz NCOMKSNRIVIRPS-SGTLLEGYSA-N -1 1 328.799 3.592 20 0 EHADMM COc1ccc(C2CC2)cc1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000881555902 1137809764 /nfs/dbraw/zinc/80/97/64/1137809764.db2.gz CSZQGWYCONLIDO-UHFFFAOYSA-N -1 1 345.826 3.791 20 0 EHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000132872216 1137870643 /nfs/dbraw/zinc/87/06/43/1137870643.db2.gz LGLRVMJLPPTWBR-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccccc1[O-] ZINC000112020510 1137906202 /nfs/dbraw/zinc/90/62/02/1137906202.db2.gz AJLAOCPMFWTSOC-UHFFFAOYSA-N -1 1 326.396 3.938 20 0 EHADMM CC[C@@H]1CCc2nc(NC(=O)c3c(F)ccc([O-])c3F)sc2C1 ZINC000332116003 1137932206 /nfs/dbraw/zinc/93/22/06/1137932206.db2.gz BABMYWACYRBPNL-MRVPVSSYSA-N -1 1 338.379 3.894 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](C2CCOCC2)C1 ZINC000886144151 1138052119 /nfs/dbraw/zinc/05/21/19/1138052119.db2.gz RSKDAECCAHIJDR-QGZVFWFLSA-N -1 1 339.435 3.824 20 0 EHADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000068452789 1138085082 /nfs/dbraw/zinc/08/50/82/1138085082.db2.gz LPMWRJQMWLNWDT-UHFFFAOYSA-N -1 1 334.489 3.557 20 0 EHADMM O=C(CC1CCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000079394831 1138155788 /nfs/dbraw/zinc/15/57/88/1138155788.db2.gz YDEREZRUHWLRQD-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM CC(C)[C@@H](C(=O)NCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000080173314 1138161180 /nfs/dbraw/zinc/16/11/80/1138161180.db2.gz WMTYVEFKZCXSHH-OAHLLOKOSA-N -1 1 332.473 3.578 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000337148619 1138480147 /nfs/dbraw/zinc/48/01/47/1138480147.db2.gz HHSUHXRWYPIRBT-UHFFFAOYSA-N -1 1 333.384 3.707 20 0 EHADMM CCOc1cc(C(=O)N2CCCC[C@H]2C(F)F)cc(Cl)c1[O-] ZINC000337610310 1138620312 /nfs/dbraw/zinc/62/03/12/1138620312.db2.gz XUWBSDJXTAUOSY-NSHDSACASA-N -1 1 333.762 3.704 20 0 EHADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](c2ccsc2)O1 ZINC000150868282 1138988804 /nfs/dbraw/zinc/98/88/04/1138988804.db2.gz SPKZBVCNTXGLCK-BONVTDFDSA-N -1 1 337.828 3.709 20 0 EHADMM Cc1cccc(NC2CCN(C(=O)c3ccc([O-])cc3F)CC2)c1 ZINC000181232374 1139895140 /nfs/dbraw/zinc/89/51/40/1139895140.db2.gz ADAKYJAJZFEMHR-UHFFFAOYSA-N -1 1 328.387 3.556 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@H](C)c2cccnc2)cc(Cl)c1[O-] ZINC000186715694 1140218382 /nfs/dbraw/zinc/21/83/82/1140218382.db2.gz VRJZMZLHCQVDAY-LLVKDONJSA-N -1 1 334.803 3.673 20 0 EHADMM CCOc1cc(C(=O)NCCCOC2CCCC2)cc(Cl)c1[O-] ZINC000186718137 1140218730 /nfs/dbraw/zinc/21/87/30/1140218730.db2.gz AZNIXMRZBOMXFG-UHFFFAOYSA-N -1 1 341.835 3.523 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000777495773 1140636567 /nfs/dbraw/zinc/63/65/67/1140636567.db2.gz JLUIZORNYUVUDX-UHFFFAOYSA-N -1 1 333.476 3.949 20 0 EHADMM CC(C)Cn1cc(NC(=O)c2c(F)ccc([O-])c2F)c(C(F)F)n1 ZINC000348966298 1141616796 /nfs/dbraw/zinc/61/67/96/1141616796.db2.gz OIQITDUGNVWYMV-UHFFFAOYSA-N -1 1 345.296 3.713 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000032586495 202228153 /nfs/dbraw/zinc/22/81/53/202228153.db2.gz BLAIUTGVPUULFE-UHFFFAOYSA-N -1 1 330.384 3.737 20 0 EHADMM COc1ccc(C)cc1NC(=O)c1cc(Br)ccc1[O-] ZINC000048544750 204350341 /nfs/dbraw/zinc/35/03/41/204350341.db2.gz HCFZSLHGBFEACV-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000002047058 206356258 /nfs/dbraw/zinc/35/62/58/206356258.db2.gz KFTNEILVDDUXGR-VIFPVBQESA-N -1 1 338.176 3.785 20 0 in-vivo EHADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(F)cc2Br)CC1 ZINC000299746726 564150647 /nfs/dbraw/zinc/15/06/47/564150647.db2.gz ZJTRMQHDECQRPS-LLVKDONJSA-N -1 1 344.224 3.665 20 0 EHADMM CC[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736382146 598843609 /nfs/dbraw/zinc/84/36/09/598843609.db2.gz LFRSXVFUVNEIIX-GFCCVEGCSA-N -1 1 348.815 3.890 20 0 EHADMM Cc1ccc(C)c(Sc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737326899 598954663 /nfs/dbraw/zinc/95/46/63/598954663.db2.gz UFLKOOHNXWKPKA-UHFFFAOYSA-N -1 1 334.408 3.578 20 0 EHADMM CC(C)c1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000735932448 598955091 /nfs/dbraw/zinc/95/50/91/598955091.db2.gz LJCSUICMJYZHLD-UHFFFAOYSA-N -1 1 332.367 3.726 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000819370654 597115762 /nfs/dbraw/zinc/11/57/62/597115762.db2.gz DOFPCHCGMDIMAR-NSHDSACASA-N -1 1 347.798 3.526 20 0 EHADMM c1ccc2c(c1)CCC[C@@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000738443576 599254740 /nfs/dbraw/zinc/25/47/40/599254740.db2.gz XXSQSHGATCVSDF-INIZCTEOSA-N -1 1 342.406 3.904 20 0 EHADMM c1ccc2c(c1)CCC[C@@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000738443576 599254742 /nfs/dbraw/zinc/25/47/42/599254742.db2.gz XXSQSHGATCVSDF-INIZCTEOSA-N -1 1 342.406 3.904 20 0 EHADMM CCCOc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1Cl ZINC000821134432 607308544 /nfs/dbraw/zinc/30/85/44/607308544.db2.gz UPSHRDJKANZNFQ-UHFFFAOYSA-N -1 1 333.779 3.514 20 0 EHADMM CCCOc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1Cl ZINC000821134432 607308545 /nfs/dbraw/zinc/30/85/45/607308545.db2.gz UPSHRDJKANZNFQ-UHFFFAOYSA-N -1 1 333.779 3.514 20 0 EHADMM CC(C)COc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000820103276 607312157 /nfs/dbraw/zinc/31/21/57/607312157.db2.gz SGGNMVVGLRDKDP-UHFFFAOYSA-N -1 1 329.429 3.575 20 0 EHADMM Cc1ccc(C[C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c(C)c1 ZINC000737334390 598538267 /nfs/dbraw/zinc/53/82/67/598538267.db2.gz GXSAQMHYDYEEGR-SNVBAGLBSA-N -1 1 348.863 3.637 20 0 EHADMM Cc1ccc(C[C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c(C)c1 ZINC000737334390 598538269 /nfs/dbraw/zinc/53/82/69/598538269.db2.gz GXSAQMHYDYEEGR-SNVBAGLBSA-N -1 1 348.863 3.637 20 0 EHADMM Clc1ccc(N[C@@H]2CCCCc3ccccc32)nc1-c1nnn[n-]1 ZINC000737574690 598579212 /nfs/dbraw/zinc/57/92/12/598579212.db2.gz OCOVAMHYCJITGQ-CQSZACIVSA-N -1 1 340.818 3.795 20 0 EHADMM Clc1ccc(N[C@@H]2CCCCc3ccccc32)nc1-c1nn[n-]n1 ZINC000737574690 598579215 /nfs/dbraw/zinc/57/92/15/598579215.db2.gz OCOVAMHYCJITGQ-CQSZACIVSA-N -1 1 340.818 3.795 20 0 EHADMM Cc1[nH]c(SCc2cc(C(=O)[O-])co2)nc1Cc1ccccc1 ZINC000738246479 599801952 /nfs/dbraw/zinc/80/19/52/599801952.db2.gz IFXGJSNUNOPNMU-UHFFFAOYSA-N -1 1 328.393 3.892 20 0 EHADMM C[C@@H](CN(Cc1csc(-c2ccccc2F)n1)C1CC1)C(=O)[O-] ZINC000736583493 599884850 /nfs/dbraw/zinc/88/48/50/599884850.db2.gz SIVVEFRODITYSS-NSHDSACASA-N -1 1 334.416 3.634 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000576234186 600083300 /nfs/dbraw/zinc/08/33/00/600083300.db2.gz ZUEHIWLNPPHBOZ-UHFFFAOYSA-N -1 1 341.382 3.619 20 0 EHADMM CCOc1ccc(-c2nc(CN(CCC(=O)[O-])C(C)C)cs2)cc1 ZINC000652478453 600221564 /nfs/dbraw/zinc/22/15/64/600221564.db2.gz DYBAMDBDAFSGDD-UHFFFAOYSA-N -1 1 348.468 3.894 20 0 EHADMM Cc1cc(CN[C@@H]2CSc3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000738389617 600440341 /nfs/dbraw/zinc/44/03/41/600440341.db2.gz QRAAWKLTXAIHLF-MRXNPFEDSA-N -1 1 343.448 3.703 20 0 EHADMM O=C([O-])c1cccc(OCCN2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000740230752 600542432 /nfs/dbraw/zinc/54/24/32/600542432.db2.gz FZCOQPUYIWPGGJ-GOSISDBHSA-N -1 1 347.361 3.879 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000830398065 601405306 /nfs/dbraw/zinc/40/53/06/601405306.db2.gz FHESDXUVJBGXAM-UHFFFAOYSA-N -1 1 343.408 3.926 20 0 EHADMM CSCc1cc(F)ccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000832770874 601496532 /nfs/dbraw/zinc/49/65/32/601496532.db2.gz KVTVVGANXDMZER-INIZCTEOSA-N -1 1 337.391 3.743 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(Oc3ccccc3)CC2)cc1F ZINC000833313576 601621349 /nfs/dbraw/zinc/62/13/49/601621349.db2.gz ZBFDJXNEAJHCRV-UHFFFAOYSA-N -1 1 329.371 3.567 20 0 EHADMM Cc1sc(C(=O)[O-])cc1CSc1nc(-c2ccccc2O)n[nH]1 ZINC000833031828 601632443 /nfs/dbraw/zinc/63/24/43/601632443.db2.gz SDUCREIXDABFAU-UHFFFAOYSA-N -1 1 347.421 3.538 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1csc(CCc2ccccc2)n1 ZINC000650506526 601838126 /nfs/dbraw/zinc/83/81/26/601838126.db2.gz OZYOQWRRENOBKB-KRWDZBQOSA-N -1 1 344.480 3.758 20 0 EHADMM O=C([O-])CCC1CCN(Cc2cccc(Br)c2)CC1 ZINC000050926151 601842491 /nfs/dbraw/zinc/84/24/91/601842491.db2.gz FCPFKROIMCGIIY-UHFFFAOYSA-N -1 1 326.234 3.526 20 0 EHADMM O=C([O-])c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)s1 ZINC000833314046 601940166 /nfs/dbraw/zinc/94/01/66/601940166.db2.gz FRPVTVOYBPSURG-LBPRGKRZSA-N -1 1 337.466 3.689 20 0 EHADMM CCCN(Cc1ccc(C(=O)[O-])s1)[C@H](C)C(=O)Nc1ccccc1 ZINC000829496517 601947272 /nfs/dbraw/zinc/94/72/72/601947272.db2.gz FPVQNSOECCICLB-CYBMUJFWSA-N -1 1 346.452 3.686 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccc3c2OCCO3)s1 ZINC000518990598 601949075 /nfs/dbraw/zinc/94/90/75/601949075.db2.gz LEQGIDROKYLSTR-AWEZNQCLSA-N -1 1 345.420 3.555 20 0 EHADMM Cc1nc([C@@H](C)[N@H+]2CC[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000576234149 602015031 /nfs/dbraw/zinc/01/50/31/602015031.db2.gz XFRFJAPNOCHZJM-YPMHNXCESA-N -1 1 334.803 3.771 20 0 EHADMM CCOc1ccccc1[C@@H](CC)NCc1ccc(NC(=O)[O-])nc1 ZINC000827459717 603547693 /nfs/dbraw/zinc/54/76/93/603547693.db2.gz KJDBQEPZSULVIX-OAHLLOKOSA-N -1 1 329.400 3.811 20 0 EHADMM C[C@H](N[C@H](CNC(=O)[O-])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000825473626 604363078 /nfs/dbraw/zinc/36/30/78/604363078.db2.gz SZIVQSQCYNBSLL-SMDDNHRTSA-N -1 1 331.441 3.507 20 0 EHADMM CCCCC[C@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000829347766 604677684 /nfs/dbraw/zinc/67/76/84/604677684.db2.gz MGOFURDCYUCOIB-AWEZNQCLSA-N -1 1 343.427 3.578 20 0 EHADMM CC(C)(CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833451671 604868431 /nfs/dbraw/zinc/86/84/31/604868431.db2.gz VLNCGOCYJMNUKM-UHFFFAOYSA-N -1 1 337.379 3.568 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434655 605048866 /nfs/dbraw/zinc/04/88/66/605048866.db2.gz BGXOYWPXBDURBM-VXGBXAGGSA-N -1 1 335.787 3.846 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000833546750 605058287 /nfs/dbraw/zinc/05/82/87/605058287.db2.gz LPOZZAASLFTGGO-LLVKDONJSA-N -1 1 332.787 3.877 20 0 EHADMM O=C([O-])c1occc1CNCc1cccc(COCc2ccco2)c1 ZINC000833785447 605059455 /nfs/dbraw/zinc/05/94/55/605059455.db2.gz WGCVWUMRFXHJSW-UHFFFAOYSA-N -1 1 341.363 3.577 20 0 EHADMM CC(C)(C)C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000833429846 605150285 /nfs/dbraw/zinc/15/02/85/605150285.db2.gz PPHWRLRZAZYRER-ASCRHOAZSA-N -1 1 331.441 3.957 20 0 EHADMM CN(C)Cc1ccc(NCc2cccc3c2N(C(=O)[O-])CC3)cc1F ZINC000828047045 605258921 /nfs/dbraw/zinc/25/89/21/605258921.db2.gz XFKHBMKMHTXDQI-UHFFFAOYSA-N -1 1 343.402 3.540 20 0 EHADMM O=C([O-])N[C@@H]1C[C@H](NCc2ccc3ccccc3n2)c2ccccc21 ZINC000834156763 605794721 /nfs/dbraw/zinc/79/47/21/605794721.db2.gz CKPRKBYBTRLQHY-RBUKOAKNSA-N -1 1 333.391 3.778 20 0 EHADMM O=C([O-])NCCc1ccc(CN[C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000834245871 605955783 /nfs/dbraw/zinc/95/57/83/605955783.db2.gz UTUQYKSXCRLXFK-KRWDZBQOSA-N -1 1 346.377 3.552 20 0 EHADMM Cc1c(COC(C)(C)C)cccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822034800 606167035 /nfs/dbraw/zinc/16/70/35/606167035.db2.gz LODMAUXPOZPJEE-UHFFFAOYSA-N -1 1 341.415 3.695 20 0 EHADMM Cc1c(COC(C)(C)C)cccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822034800 606167036 /nfs/dbraw/zinc/16/70/36/606167036.db2.gz LODMAUXPOZPJEE-UHFFFAOYSA-N -1 1 341.415 3.695 20 0 EHADMM Clc1ccc2c(c1)[C@H](Nc1cccc(-c3nnn[n-]3)n1)CCS2 ZINC000826353071 607895856 /nfs/dbraw/zinc/89/58/56/607895856.db2.gz ZTHOUDBYROGGBS-LLVKDONJSA-N -1 1 344.831 3.564 20 0 EHADMM Clc1ccc2c(c1)[C@H](Nc1cccc(-c3nn[n-]n3)n1)CCS2 ZINC000826353071 607895857 /nfs/dbraw/zinc/89/58/57/607895857.db2.gz ZTHOUDBYROGGBS-LLVKDONJSA-N -1 1 344.831 3.564 20 0 EHADMM FC(F)(F)CCc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826367521 607901925 /nfs/dbraw/zinc/90/19/25/607901925.db2.gz BWDJTGSCAQXMJA-UHFFFAOYSA-N -1 1 334.305 3.500 20 0 EHADMM FC(F)(F)CCc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826367521 607901926 /nfs/dbraw/zinc/90/19/26/607901926.db2.gz BWDJTGSCAQXMJA-UHFFFAOYSA-N -1 1 334.305 3.500 20 0 EHADMM Clc1nsc(SCc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826351859 608168869 /nfs/dbraw/zinc/16/88/69/608168869.db2.gz DMCOBZKLOIVISH-UHFFFAOYSA-N -1 1 344.252 3.922 20 0 EHADMM Clc1nsc(SCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826351859 608168871 /nfs/dbraw/zinc/16/88/71/608168871.db2.gz DMCOBZKLOIVISH-UHFFFAOYSA-N -1 1 344.252 3.922 20 0 EHADMM O=C([O-])CCCN1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000262631972 950147141 /nfs/dbraw/zinc/14/71/41/950147141.db2.gz WPHCODBRMDWQJX-CYBMUJFWSA-N -1 1 330.197 3.590 20 0 EHADMM CCN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Cc1cccs1 ZINC001589736680 950545914 /nfs/dbraw/zinc/54/59/14/950545914.db2.gz KJQZDNLFGIORDH-CQSZACIVSA-N -1 1 348.468 3.664 20 0 EHADMM C[C@H]1CN(Cc2cc(Cl)ccc2Br)CC[C@@H]1C(=O)[O-] ZINC000311349232 950733126 /nfs/dbraw/zinc/73/31/26/950733126.db2.gz DJZCPCYLMAOIFI-CABZTGNLSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])CN(Cc1cc(Cl)ccc1Br)C1CCC1 ZINC000656100897 954298125 /nfs/dbraw/zinc/29/81/25/954298125.db2.gz DXHQOYSCERSBMH-UHFFFAOYSA-N -1 1 332.625 3.542 20 0 EHADMM C[C@@H](CN(C)Cc1cc2cc(Cl)ccc2nc1Cl)C(=O)[O-] ZINC000848598841 955772014 /nfs/dbraw/zinc/77/20/14/955772014.db2.gz STHMRCZHHCQVJI-VIFPVBQESA-N -1 1 327.211 3.694 20 0 EHADMM C[C@H](C(=O)[O-])C(=O)Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC001573371956 958628418 /nfs/dbraw/zinc/62/84/18/958628418.db2.gz BTTVAWXGLZUPNF-VIFPVBQESA-N -1 1 343.770 3.543 20 0 EHADMM Cc1cccc([C@@H](NCc2ccccc2Br)C(=O)[O-])c1 ZINC001594398413 958802230 /nfs/dbraw/zinc/80/22/30/958802230.db2.gz WUCZQEZYKVRHPG-OAHLLOKOSA-N -1 1 334.213 3.673 20 0 EHADMM C[C@@]1(C(=O)[O-])CCCN1Cc1cc2cc(Br)ccc2o1 ZINC001573646124 959643432 /nfs/dbraw/zinc/64/34/32/959643432.db2.gz QAGKKVGCQLJLAC-HNNXBMFYSA-N -1 1 338.201 3.634 20 0 EHADMM CC1(C)CN(CCCC(=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001573676251 959727653 /nfs/dbraw/zinc/72/76/53/959727653.db2.gz WMTIMJIAURXCQA-CQSZACIVSA-N -1 1 345.361 3.722 20 0 EHADMM C[C@@H]1CCN(Cc2ccc(Br)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229299051 960073916 /nfs/dbraw/zinc/07/39/16/960073916.db2.gz AJEVJSHBASDCFW-NOZJJQNGSA-N -1 1 346.652 3.788 20 0 EHADMM O=C([O-])Cc1ccccc1CNCc1ccccc1OC1CCCC1 ZINC000277022813 962846890 /nfs/dbraw/zinc/84/68/90/962846890.db2.gz OOFFKOMSUSDBPZ-UHFFFAOYSA-N -1 1 339.435 3.925 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Cl)ccc2Br)[C@H](C(=O)[O-])C1 ZINC000311585140 963493641 /nfs/dbraw/zinc/49/36/41/963493641.db2.gz PLTFLNHWCRKASL-RNCFNFMXSA-N -1 1 346.652 3.788 20 0 EHADMM Cc1nc(C(F)(F)F)c(CN2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000582363035 968477324 /nfs/dbraw/zinc/47/73/24/968477324.db2.gz FQJMFLXOGCOYDS-SNVBAGLBSA-N -1 1 336.379 3.690 20 0 EHADMM Cc1nc(C(F)(F)F)c(CN[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001605397539 973376606 /nfs/dbraw/zinc/37/66/06/973376606.db2.gz NWCHHNRBGNLFPC-NSHDSACASA-N -1 1 348.321 3.525 20 0 EHADMM Cc1cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)ccc1Cl ZINC000417709030 973967360 /nfs/dbraw/zinc/96/73/60/973967360.db2.gz SMKAVLPGDXKLGV-UHFFFAOYSA-N -1 1 330.815 3.909 20 0 EHADMM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426754520 974045870 /nfs/dbraw/zinc/04/58/70/974045870.db2.gz QZPOBEAAGYKUEY-INIZCTEOSA-N -1 1 337.778 3.712 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(Br)cc1F)c1ccsc1 ZINC000426835319 974050646 /nfs/dbraw/zinc/05/06/46/974050646.db2.gz QSUZJWWIOFTMHK-GFCCVEGCSA-N -1 1 344.205 3.565 20 0 EHADMM CO[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000520430879 974339444 /nfs/dbraw/zinc/33/94/44/974339444.db2.gz POILNJDZCYALNM-ZIAGYGMSSA-N -1 1 346.254 3.866 20 0 EHADMM CCOc1cc(CN2CCC[C@@H](CCC(=O)[O-])C2)cc(Cl)c1O ZINC001603856801 974355965 /nfs/dbraw/zinc/35/59/65/974355965.db2.gz FGKMWUSBNODOIE-LBPRGKRZSA-N -1 1 341.835 3.521 20 0 EHADMM CCc1ccc(-c2noc([C@@H](C)NCCC3(C(=O)[O-])CCC3)n2)cc1 ZINC001603969477 974456180 /nfs/dbraw/zinc/45/61/80/974456180.db2.gz LHRZAYTXOSRDDK-CYBMUJFWSA-N -1 1 343.427 3.595 20 0 EHADMM O=C([O-])[C@H]1CCCCN1Cc1cc(Cl)cc(Br)c1 ZINC000568055391 974654707 /nfs/dbraw/zinc/65/47/07/974654707.db2.gz YSEIBPVFEKRDEP-GFCCVEGCSA-N -1 1 332.625 3.542 20 0 EHADMM Cc1ccccc1OCCCN(C)Cc1ccc(C(=O)[O-])cc1F ZINC000568060117 974655685 /nfs/dbraw/zinc/65/56/85/974655685.db2.gz REPPGEXAVDZDJP-UHFFFAOYSA-N -1 1 331.387 3.733 20 0 EHADMM O=C1CCCN1c1ccc(NCc2cccc([O-])c2Cl)cc1F ZINC000339315603 1014209805 /nfs/dbraw/zinc/20/98/05/1014209805.db2.gz MNDVKPZIGAHXDW-UHFFFAOYSA-N -1 1 334.778 3.924 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000574763165 974788388 /nfs/dbraw/zinc/78/83/88/974788388.db2.gz LPUSUEYDJSLQBC-UHFFFAOYSA-N -1 1 327.302 3.937 20 0 EHADMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000579719348 1014253352 /nfs/dbraw/zinc/25/33/52/1014253352.db2.gz AYRKVYLJEDVURH-SJCJKPOMSA-N -1 1 345.826 3.862 20 0 EHADMM Cc1cc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@@H]43)n2)ccc1C(=O)[O-] ZINC000904512039 1032087502 /nfs/dbraw/zinc/08/75/02/1032087502.db2.gz XFDDZZHWDIQDAY-UHOFOFEASA-N -1 1 341.411 3.584 20 0 EHADMM O=C([O-])c1cc(CN2CC[C@@H](Oc3ccccc3Cl)C2)cs1 ZINC000652435124 975530822 /nfs/dbraw/zinc/53/08/22/975530822.db2.gz OUYKAVZYPVXZLP-GFCCVEGCSA-N -1 1 337.828 3.753 20 0 EHADMM O=C([O-])c1cccc(CN2CC[C@@H](Oc3ccccc3)C2)c1Cl ZINC000659801245 975891963 /nfs/dbraw/zinc/89/19/63/975891963.db2.gz CCFHJLZNEVMOGI-OAHLLOKOSA-N -1 1 331.799 3.692 20 0 EHADMM CC(C)c1[nH]c(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1C(=O)[O-] ZINC001591912328 976341741 /nfs/dbraw/zinc/34/17/41/976341741.db2.gz KGRWMAHGACJZCC-WDEREUQCSA-N -1 1 332.366 3.999 20 0 EHADMM C[C@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC(C)(C)O1 ZINC000901427316 980273168 /nfs/dbraw/zinc/27/31/68/980273168.db2.gz YSCSZHAAKPEWRJ-ZDUSSCGKSA-N -1 1 329.396 3.644 20 0 EHADMM COCc1ccccc1/C=C(\C)CN[C@H](C(=O)[O-])c1cccs1 ZINC000901598990 980400496 /nfs/dbraw/zinc/40/04/96/980400496.db2.gz RMJPBFPSXMMGMU-RTGRKSDTSA-N -1 1 331.437 3.713 20 0 EHADMM CC(C)Cc1ncc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC000901621243 980409351 /nfs/dbraw/zinc/40/93/51/980409351.db2.gz DPTRWVQDPGWPQU-INIZCTEOSA-N -1 1 330.453 3.526 20 0 EHADMM COc1ccc([C@H](NCc2ccc(C)cc2OC)C(=O)[O-])cc1Cl ZINC000901849256 980574759 /nfs/dbraw/zinc/57/47/59/980574759.db2.gz QFOYZTYOYHFXRP-KRWDZBQOSA-N -1 1 349.814 3.581 20 0 EHADMM CC(C)O[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000901908901 980621461 /nfs/dbraw/zinc/62/14/61/980621461.db2.gz XRNITSICIJIJJD-JSGCOSHPSA-N -1 1 334.441 3.658 20 0 EHADMM COCc1csc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000902049110 980713918 /nfs/dbraw/zinc/71/39/18/980713918.db2.gz XFUWBILLEHZJHH-IRXDYDNUSA-N -1 1 331.437 3.685 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(OCC(F)(F)F)cc1 ZINC000902091693 980728371 /nfs/dbraw/zinc/72/83/71/980728371.db2.gz ZUKAZJAZKYIDNP-UHFFFAOYSA-N -1 1 343.301 3.517 20 0 EHADMM Cc1[nH]c2ccccc2c1C1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC000902154268 980760562 /nfs/dbraw/zinc/76/05/62/980760562.db2.gz NPYFKPJRVMVRHC-UHFFFAOYSA-N -1 1 339.395 3.542 20 0 EHADMM CCc1oc(CNC[C@H](OC)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902314104 980829343 /nfs/dbraw/zinc/82/93/43/980829343.db2.gz WRWRLVUSOOEGFX-INIZCTEOSA-N -1 1 337.803 3.671 20 0 EHADMM C[C@H](Oc1ccc(CNC2(c3ccccc3Cl)CC2)cc1)C(=O)[O-] ZINC000902363760 980854076 /nfs/dbraw/zinc/85/40/76/980854076.db2.gz KZXMUXRNDLPGDF-ZDUSSCGKSA-N -1 1 345.826 3.971 20 0 EHADMM Cc1ccccc1[C@@]1(F)CCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000902453801 980894714 /nfs/dbraw/zinc/89/47/14/980894714.db2.gz SXPZNGZREQPSIY-HXUWFJFHSA-N -1 1 343.398 3.529 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(/C=C/C(=O)[O-])o1)CCC2 ZINC000902528481 980922705 /nfs/dbraw/zinc/92/27/05/980922705.db2.gz HCDATEVSVDTNCH-FEAKQIBJSA-N -1 1 346.452 3.906 20 0 EHADMM O=C([O-])[C@H]1c2ccccc2OCCN1Cc1cccc(C(F)F)c1 ZINC000903931004 981051818 /nfs/dbraw/zinc/05/18/18/981051818.db2.gz MEAJLUSAMUOTAO-MRXNPFEDSA-N -1 1 333.334 3.645 20 0 EHADMM O=C([O-])c1ccc2c(c1)OCCN(CCSC1CCCCC1)C2 ZINC000903958818 981075264 /nfs/dbraw/zinc/07/52/64/981075264.db2.gz OIOKXDYXLKEBQD-UHFFFAOYSA-N -1 1 335.469 3.645 20 0 EHADMM CC[C@@H]1CCCN(Cc2oc(Br)cc2C(=O)[O-])CC1 ZINC001595458166 981130586 /nfs/dbraw/zinc/13/05/86/981130586.db2.gz BNCMJRJECRRLSM-SNVBAGLBSA-N -1 1 330.222 3.752 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000026547411 1014854593 /nfs/dbraw/zinc/85/45/93/1014854593.db2.gz CTJOPSDTWJATJA-UHFFFAOYSA-N -1 1 346.235 3.941 20 0 EHADMM CC[C@@H](C)N(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccccc1 ZINC001594982629 982780380 /nfs/dbraw/zinc/78/03/80/982780380.db2.gz MECGQAWRWQNVIS-CYBMUJFWSA-N -1 1 342.439 3.813 20 0 EHADMM CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccc(Cl)cc1 ZINC001596359979 983837328 /nfs/dbraw/zinc/83/73/28/983837328.db2.gz VLJVOCGHJQWTLD-UHFFFAOYSA-N -1 1 349.862 3.650 20 0 EHADMM CCN(Cc1cccc(C(=O)[O-])c1Cl)[C@@H](CO)c1ccccc1 ZINC001596364372 983846757 /nfs/dbraw/zinc/84/67/57/983846757.db2.gz BCHBUUTYCZJIEG-INIZCTEOSA-N -1 1 333.815 3.594 20 0 EHADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)CCC2 ZINC000655137090 1015124109 /nfs/dbraw/zinc/12/41/09/1015124109.db2.gz KRXSNVPEBSIHCD-LBPRGKRZSA-N -1 1 333.334 3.738 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCC[C@@]2(C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599944700 985504673 /nfs/dbraw/zinc/50/46/73/985504673.db2.gz IAFITSQJTBGEIE-FQEVSTJZSA-N -1 1 340.423 3.524 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCc2cc(-c3ccco3)on2)[n-]1 ZINC000126988824 1015157407 /nfs/dbraw/zinc/15/74/07/1015157407.db2.gz UFCFWHXOOWYXIO-UHFFFAOYSA-N -1 1 343.286 3.741 20 0 EHADMM CCOCCCN(Cc1c(F)ccc(F)c1Cl)C[C@H](C)C(=O)[O-] ZINC001596914717 985931509 /nfs/dbraw/zinc/93/15/09/985931509.db2.gz GVAAPURAEFJMCC-NSHDSACASA-N -1 1 349.805 3.568 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000460870877 1032111991 /nfs/dbraw/zinc/11/19/91/1032111991.db2.gz XIIVXPOXEUOLFY-UHFFFAOYSA-N -1 1 342.342 3.738 20 0 EHADMM C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC2(CCC2)O1 ZINC001594537693 986162193 /nfs/dbraw/zinc/16/21/93/986162193.db2.gz XIWXHVQWODIFAQ-CQSZACIVSA-N -1 1 341.407 3.788 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC(CCc2ccc(F)cc2F)CC1 ZINC000655264176 1015280995 /nfs/dbraw/zinc/28/09/95/1015280995.db2.gz FKPGRALYFUBFRS-UHFFFAOYSA-N -1 1 346.377 3.550 20 0 EHADMM O=C(c1ncccc1[O-])N1CCC(CCc2ccc(F)cc2F)CC1 ZINC000655264040 1015281307 /nfs/dbraw/zinc/28/13/07/1015281307.db2.gz AMNBSJNUIXRFEV-UHFFFAOYSA-N -1 1 346.377 3.550 20 0 EHADMM CCc1[nH]c(CN[C@H](CC)c2cc(F)ccc2OC)cc1C(=O)[O-] ZINC001597391349 987621230 /nfs/dbraw/zinc/62/12/30/987621230.db2.gz KZPDTAAJDALDLS-OAHLLOKOSA-N -1 1 334.391 3.664 20 0 EHADMM CCc1[nH]c(CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1C(=O)[O-] ZINC001597391726 987622791 /nfs/dbraw/zinc/62/27/91/987622791.db2.gz MSOKWZDQAPRYNG-KRWDZBQOSA-N -1 1 340.423 3.811 20 0 EHADMM CCn1cc([C@H](C)N[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC001597882542 989713628 /nfs/dbraw/zinc/71/36/28/989713628.db2.gz QBLJRGICYIUVGY-LKFCYVNXSA-N -1 1 342.226 3.686 20 0 EHADMM CC(C)(O)C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001590892765 990821804 /nfs/dbraw/zinc/82/18/04/990821804.db2.gz KEGGNHVVCLUEDW-CQSZACIVSA-N -1 1 346.254 3.602 20 0 EHADMM COc1cccc2c1OCCC[C@H]2NCc1ccc(C(=O)[O-])c(F)c1 ZINC001599694356 991124283 /nfs/dbraw/zinc/12/42/83/991124283.db2.gz YEAQSSANZZYJKG-MRXNPFEDSA-N -1 1 345.370 3.536 20 0 EHADMM COc1ccccc1C[C@H]1CCCN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599709781 991352018 /nfs/dbraw/zinc/35/20/18/991352018.db2.gz CARQKELRBBNWKX-TZMCWYRMSA-N -1 1 346.452 3.618 20 0 EHADMM CC(C)[C@@H](O)[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001591035741 991355199 /nfs/dbraw/zinc/35/51/99/991355199.db2.gz HANKEFVERATUIH-ZWKOTPCHSA-N -1 1 347.842 3.886 20 0 EHADMM COc1ccccc1[C@H](C)N[C@H](C)c1ccccc1OCC(=O)[O-] ZINC001599719458 991512436 /nfs/dbraw/zinc/51/24/36/991512436.db2.gz OQKOKJMZXZPTFC-UONOGXRCSA-N -1 1 329.396 3.570 20 0 EHADMM CC(C)Cc1ccc([C@@H](NCc2oncc2C(=O)[O-])C2CC2)cc1 ZINC001591484667 992612146 /nfs/dbraw/zinc/61/21/46/992612146.db2.gz QNOVUMMIOPVAFC-GOSISDBHSA-N -1 1 328.412 3.812 20 0 EHADMM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2OC)cc1C ZINC001599620437 994073190 /nfs/dbraw/zinc/07/31/90/994073190.db2.gz PKVWDSMGKZIYRQ-CYBMUJFWSA-N -1 1 329.396 3.561 20 0 EHADMM COc1ccc2c(c1)CCCN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)C2 ZINC001599628450 994183277 /nfs/dbraw/zinc/18/32/77/994183277.db2.gz RZGYFIDZTUUNBV-UHFFFAOYSA-N -1 1 340.423 3.547 20 0 EHADMM CCN(C(=O)c1cncc([O-])c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000339899293 1015863099 /nfs/dbraw/zinc/86/30/99/1015863099.db2.gz CRCHYEZXENEEQH-SFHVURJKSA-N -1 1 330.403 3.656 20 0 EHADMM C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2 ZINC001593289116 994661912 /nfs/dbraw/zinc/66/19/12/994661912.db2.gz PYEPPVSVUIJQNL-JTQLQIEISA-N -1 1 333.771 3.618 20 0 EHADMM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc2c(c1)CCCO2 ZINC001593289723 994666218 /nfs/dbraw/zinc/66/62/18/994666218.db2.gz 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COCCCC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000684338504 1021162532 /nfs/dbraw/zinc/16/25/32/1021162532.db2.gz UQDGKNDIPJVLSL-QGZVFWFLSA-N -1 1 331.387 3.819 20 0 EHADMM Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000436785773 1021227401 /nfs/dbraw/zinc/22/74/01/1021227401.db2.gz ARJSFWQHYUETOZ-UHFFFAOYSA-N -1 1 328.799 3.808 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1COc2ccccc21 ZINC000436787072 1021227690 /nfs/dbraw/zinc/22/76/90/1021227690.db2.gz MIGBPNLSAYWQLE-SCLBCKFNSA-N -1 1 333.387 3.840 20 0 EHADMM CC(C)[C@H]1N(C(=O)c2cc(Br)ccc2[O-])CC12CCC2 ZINC000436830189 1021262328 /nfs/dbraw/zinc/26/23/28/1021262328.db2.gz QAROJAPFJQWXQQ-CQSZACIVSA-N -1 1 338.245 3.805 20 0 EHADMM CCc1c(NC(=O)c2cc(F)ccc2[O-])cnn1-c1ccccc1 ZINC000436838171 1021270987 /nfs/dbraw/zinc/27/09/87/1021270987.db2.gz IEGCVJGMSJCDAC-UHFFFAOYSA-N -1 1 325.343 3.532 20 0 EHADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H]1OCCc2sccc21 ZINC000436826029 1021278497 /nfs/dbraw/zinc/27/84/97/1021278497.db2.gz 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CO[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])c1cccc(Cl)c1 ZINC000440350838 1022108681 /nfs/dbraw/zinc/10/86/81/1022108681.db2.gz ZQJHLEIZHMTFCW-HNNXBMFYSA-N -1 1 340.206 3.817 20 0 EHADMM CCCCOc1ccc(CNCc2ccc(C(=O)[O-])c(CC)n2)cc1 ZINC000426636338 1022108845 /nfs/dbraw/zinc/10/88/45/1022108845.db2.gz FEVBCAZXNBUBBV-UHFFFAOYSA-N -1 1 342.439 3.811 20 0 EHADMM CCCc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)[nH]n1 ZINC000506829582 1022124471 /nfs/dbraw/zinc/12/44/71/1022124471.db2.gz BDILMTYMXAFNDW-UHFFFAOYSA-N -1 1 341.436 3.830 20 0 EHADMM Cc1nc(CNCc2cc(Cl)cc3cccnc32)ccc1C(=O)[O-] ZINC000426650003 1022139993 /nfs/dbraw/zinc/13/99/93/1022139993.db2.gz ZKJVYUKXVOSRQH-UHFFFAOYSA-N -1 1 341.798 3.580 20 0 EHADMM Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccccc1[O-] ZINC000050495902 1022268778 /nfs/dbraw/zinc/26/87/78/1022268778.db2.gz FBJKTQZQFRONQM-UHFFFAOYSA-N -1 1 328.437 3.506 20 0 EHADMM C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000517370361 1022290756 /nfs/dbraw/zinc/29/07/56/1022290756.db2.gz 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CCCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1 ZINC000607331499 1033089115 /nfs/dbraw/zinc/08/91/15/1033089115.db2.gz LZDIOCNRHUWNAH-UHFFFAOYSA-N -1 1 345.342 3.694 20 0 EHADMM CCOc1cc(-c2nc([C@H](CC)OCC)no2)cc(Cl)c1[O-] ZINC000665038764 1022971682 /nfs/dbraw/zinc/97/16/82/1022971682.db2.gz JDBHKCIZNXHIKJ-NSHDSACASA-N -1 1 326.780 3.982 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(-c3ccccn3)c2)o1 ZINC000426763774 1023016201 /nfs/dbraw/zinc/01/62/01/1023016201.db2.gz DHSNARXPQGVAKW-SFHVURJKSA-N -1 1 336.391 3.956 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1F ZINC000426800583 1023056219 /nfs/dbraw/zinc/05/62/19/1023056219.db2.gz OBJQSWCLMDRQHY-SFHVURJKSA-N -1 1 329.371 3.530 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000507020237 1023079342 /nfs/dbraw/zinc/07/93/42/1023079342.db2.gz GSGCEBVSTXIQDR-UHFFFAOYSA-N -1 1 327.352 3.554 20 0 EHADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4[nH]ccc4c3)cc2s1 ZINC000427138542 1023241970 /nfs/dbraw/zinc/24/19/70/1023241970.db2.gz YNPGBQNVPAZLTA-UHFFFAOYSA-N -1 1 343.433 3.887 20 0 EHADMM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000198882749 1033122332 /nfs/dbraw/zinc/12/23/32/1033122332.db2.gz GCVJGMZDLGQJCJ-UHFFFAOYSA-N -1 1 337.419 3.744 20 0 EHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000471955067 1023419714 /nfs/dbraw/zinc/41/97/14/1023419714.db2.gz AATWFQQWWBTWBP-UHFFFAOYSA-N -1 1 349.477 3.843 20 0 EHADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000133576882 1023494542 /nfs/dbraw/zinc/49/45/42/1023494542.db2.gz STNKMGQXTVVJEP-AAEUAGOBSA-N -1 1 344.274 3.559 20 0 EHADMM C[C@H](CN(C)C(=O)c1ccc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC000458337611 1023960546 /nfs/dbraw/zinc/96/05/46/1023960546.db2.gz ALHSSFJBTJOENW-CYBMUJFWSA-N -1 1 343.423 3.595 20 0 EHADMM O=C(Nc1ccccc1OCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000093910354 1024100462 /nfs/dbraw/zinc/10/04/62/1024100462.db2.gz XLMPYYJYBBKEGR-UHFFFAOYSA-N -1 1 329.249 3.725 20 0 EHADMM CC(C)C[C@@]1(CO)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000191489541 1024111196 /nfs/dbraw/zinc/11/11/96/1024111196.db2.gz PZINSKZNVLJMRX-HXUWFJFHSA-N -1 1 327.424 3.559 20 0 EHADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1Cl)C(F)(F)F ZINC000443930967 1024136553 /nfs/dbraw/zinc/13/65/53/1024136553.db2.gz UPFQQIMMGAJREB-KWQFWETISA-N -1 1 329.771 3.595 20 0 EHADMM Cc1cccc2c1CCN(C(=O)c1cc(Br)ccc1[O-])C2 ZINC000729538422 1024361523 /nfs/dbraw/zinc/36/15/23/1024361523.db2.gz ULUFLBPBEMWXEE-UHFFFAOYSA-N -1 1 346.224 3.662 20 0 EHADMM Cc1cccc([C@H]2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)c1 ZINC000346088240 1024387156 /nfs/dbraw/zinc/38/71/56/1024387156.db2.gz XRCMNKGEYNEIAI-INIZCTEOSA-N -1 1 347.418 3.582 20 0 EHADMM Cc1cccc([C@H]2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)c1 ZINC000346088240 1024387172 /nfs/dbraw/zinc/38/71/72/1024387172.db2.gz XRCMNKGEYNEIAI-INIZCTEOSA-N -1 1 347.418 3.582 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(CC(C)C)s2)c1 ZINC000277292380 1024472047 /nfs/dbraw/zinc/47/20/47/1024472047.db2.gz MOHXSKDAALCIJJ-INIZCTEOSA-N -1 1 348.468 3.656 20 0 EHADMM CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000011639369 1024490619 /nfs/dbraw/zinc/49/06/19/1024490619.db2.gz NMXNHYCGKJEBCO-UHFFFAOYSA-N -1 1 334.213 3.817 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000320806327 1024654264 /nfs/dbraw/zinc/65/42/64/1024654264.db2.gz NFCWPJKGMOZSQT-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)cc2cccnc21 ZINC000427649485 1024683432 /nfs/dbraw/zinc/68/34/32/1024683432.db2.gz YKLHOLKJAHCFTC-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)Cc2ccccc2Cl)n[nH]1 ZINC000514838268 1024778485 /nfs/dbraw/zinc/77/84/85/1024778485.db2.gz XJKLFRVMYBLUNG-UHFFFAOYSA-N -1 1 341.864 3.594 20 0 EHADMM O=S(=O)([N-]CCCc1ccc(Cl)cc1)c1cccc(F)c1F ZINC000507982749 1024805949 /nfs/dbraw/zinc/80/59/49/1024805949.db2.gz QXPUGHVLBZKXQG-UHFFFAOYSA-N -1 1 345.798 3.529 20 0 EHADMM O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1cncc([O-])c1 ZINC000346605192 1024945224 /nfs/dbraw/zinc/94/52/24/1024945224.db2.gz QQJSOZHNOZJRHE-HXUWFJFHSA-N -1 1 332.403 3.891 20 0 EHADMM O=S(=O)([N-]C1(C(F)(F)F)CCC1)c1csc2ccccc21 ZINC000508200525 1024959000 /nfs/dbraw/zinc/95/90/00/1024959000.db2.gz YBWYOGNMJKZKOW-UHFFFAOYSA-N -1 1 335.372 3.665 20 0 EHADMM CC[N@@H+](Cc1ncc(-c2cccs2)o1)C1CCC(C(=O)[O-])CC1 ZINC000515500622 1025291971 /nfs/dbraw/zinc/29/19/71/1025291971.db2.gz MURFUZQMYYUGDW-UHFFFAOYSA-N -1 1 334.441 3.868 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)c(C)c1 ZINC000515618761 1025415631 /nfs/dbraw/zinc/41/56/31/1025415631.db2.gz MPXLGVOMVFRLQX-UHFFFAOYSA-N -1 1 327.405 3.958 20 0 EHADMM Cc1ccc(NC(=O)c2ccccc2[O-])c(OC[C@H]2CCCO2)c1 ZINC000098106764 1025422715 /nfs/dbraw/zinc/42/27/15/1025422715.db2.gz PPDLMZMIGJSVRL-CQSZACIVSA-N -1 1 327.380 3.511 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000515630338 1025423792 /nfs/dbraw/zinc/42/37/92/1025423792.db2.gz YWRRVGUJPQBHSQ-ZDUSSCGKSA-N -1 1 341.436 3.944 20 0 EHADMM CCc1[nH]nc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1C ZINC000521535102 1025444926 /nfs/dbraw/zinc/44/49/26/1025444926.db2.gz LRBAYXHCMJHFHC-UHFFFAOYSA-N -1 1 348.255 3.529 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc(OC)c1 ZINC000014255957 1025459635 /nfs/dbraw/zinc/45/96/35/1025459635.db2.gz JHSKEALXLIDQHH-UHFFFAOYSA-N -1 1 349.452 3.703 20 0 EHADMM CCOc1ccncc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000436478883 1025775296 /nfs/dbraw/zinc/77/52/96/1025775296.db2.gz SBQQEELGFUCMBE-UHFFFAOYSA-N -1 1 347.223 3.588 20 0 EHADMM CCc1cnccc1-c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443195811 1025786043 /nfs/dbraw/zinc/78/60/43/1025786043.db2.gz JUYXAUJAEVHJNP-UHFFFAOYSA-N -1 1 331.759 3.729 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)CCCc2ccc(C)s2)c1 ZINC000436505004 1025795548 /nfs/dbraw/zinc/79/55/48/1025795548.db2.gz MQZYRYISKGGPEQ-UHFFFAOYSA-N -1 1 333.409 3.510 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1 ZINC000436501659 1025813139 /nfs/dbraw/zinc/81/31/39/1025813139.db2.gz AAHZKRXJPUZZTA-UHFFFAOYSA-N -1 1 344.754 3.566 20 0 EHADMM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc([O-])cc3F)C2)c1 ZINC000436515353 1025813336 /nfs/dbraw/zinc/81/33/36/1025813336.db2.gz VHSSISYNZHXDFK-GOSISDBHSA-N -1 1 335.325 3.690 20 0 EHADMM CS[C@@H](C)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451345122 1025815899 /nfs/dbraw/zinc/81/58/99/1025815899.db2.gz KSGUXGJVAXPSKS-QMMMGPOBSA-N -1 1 335.903 3.585 20 0 EHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(OC(F)F)c1 ZINC000436527821 1025830814 /nfs/dbraw/zinc/83/08/14/1025830814.db2.gz MCZBSHQZJMELRX-SECBINFHSA-N -1 1 325.286 3.624 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]1c1ccccc1 ZINC000436532230 1025842642 /nfs/dbraw/zinc/84/26/42/1025842642.db2.gz VVHXFTUGSNCFHH-CQSZACIVSA-N -1 1 332.197 3.742 20 0 EHADMM C[C@@H]1C[C@@H]1[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000436518481 1025849985 /nfs/dbraw/zinc/84/99/85/1025849985.db2.gz YNDWJHNPDISZJR-NVGVWMPQSA-N -1 1 343.810 3.742 20 0 EHADMM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000436540433 1025868660 /nfs/dbraw/zinc/86/86/60/1025868660.db2.gz XELFIKABZZGLEH-GOSISDBHSA-N -1 1 349.386 3.532 20 0 EHADMM CCc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3[O-])CCO2)cc1 ZINC000436557226 1025882342 /nfs/dbraw/zinc/88/23/42/1025882342.db2.gz NBRIRKCVBPCEAS-GOSISDBHSA-N -1 1 345.826 3.822 20 0 EHADMM COc1ccc(NC(=O)c2cc(F)ccc2[O-])c(C(F)(F)F)c1 ZINC000436563563 1025891254 /nfs/dbraw/zinc/89/12/54/1025891254.db2.gz MLDXGOXPLOYEEZ-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])[C@H]1c1ccccc1 ZINC000436571772 1025902008 /nfs/dbraw/zinc/90/20/08/1025902008.db2.gz DUDXYGSJMWXZEB-BDJLRTHQSA-N -1 1 346.224 3.988 20 0 EHADMM CC[C@H](C)n1ncc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1C ZINC000436596464 1025915505 /nfs/dbraw/zinc/91/55/05/1025915505.db2.gz MFPXQHPGPICJNQ-VIFPVBQESA-N -1 1 337.807 3.782 20 0 EHADMM O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc2ccccc2cc1[O-] ZINC000436597512 1025916020 /nfs/dbraw/zinc/91/60/20/1025916020.db2.gz VOHBKSTVHARBBS-RDTXWAMCSA-N -1 1 327.424 3.607 20 0 EHADMM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000436597105 1025916764 /nfs/dbraw/zinc/91/67/64/1025916764.db2.gz PAQYZOFJWFRRRB-INIZCTEOSA-N -1 1 349.434 3.610 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCOC[C@@H]1c1ccccc1 ZINC000436579955 1025919673 /nfs/dbraw/zinc/91/96/73/1025919673.db2.gz YMNNTVKXDIRYGH-LJQANCHMSA-N -1 1 333.387 3.759 20 0 EHADMM O=C(NCC1(CCO)CCCCC1)c1cc2ccccc2cc1[O-] ZINC000436582798 1025921849 /nfs/dbraw/zinc/92/18/49/1025921849.db2.gz CAZSMPYMWPWNQW-UHFFFAOYSA-N -1 1 327.424 3.608 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)nn2C)c([O-])c1 ZINC000436582415 1025925258 /nfs/dbraw/zinc/92/52/58/1025925258.db2.gz HZQANLUJPAZWEI-UHFFFAOYSA-N -1 1 336.395 3.563 20 0 EHADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000444213787 1025929573 /nfs/dbraw/zinc/92/95/73/1025929573.db2.gz CUQAIWCAUBKXEU-IUCAKERBSA-N -1 1 341.782 3.826 20 0 EHADMM Cc1ccc2c(c1)CN(C(=O)c1ccc(Br)cc1[O-])C2 ZINC000436603411 1025935348 /nfs/dbraw/zinc/93/53/48/1025935348.db2.gz MVBLTGPUAPBORA-UHFFFAOYSA-N -1 1 332.197 3.619 20 0 EHADMM O=C(Nc1ccccc1OCCc1ccccc1)c1ccc(O)cc1[O-] ZINC000436627222 1025955300 /nfs/dbraw/zinc/95/53/00/1025955300.db2.gz VELXYEGOKSRYIT-UHFFFAOYSA-N -1 1 349.386 3.972 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000443402578 1025998928 /nfs/dbraw/zinc/99/89/28/1025998928.db2.gz ZSHFGITZILKENH-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(OCC)c2)cc1 ZINC000443404697 1025999865 /nfs/dbraw/zinc/99/98/65/1025999865.db2.gz GRSBVJHPKYZNOT-UHFFFAOYSA-N -1 1 335.425 3.675 20 0 EHADMM COc1ccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c(O)c1 ZINC000436673891 1026015175 /nfs/dbraw/zinc/01/51/75/1026015175.db2.gz QDOXXNJMQRCHPG-UHFFFAOYSA-N -1 1 349.346 3.789 20 0 EHADMM COc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c([O-])c1 ZINC000436673891 1026015190 /nfs/dbraw/zinc/01/51/90/1026015190.db2.gz QDOXXNJMQRCHPG-UHFFFAOYSA-N -1 1 349.346 3.789 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000436662098 1026021868 /nfs/dbraw/zinc/02/18/68/1026021868.db2.gz FGPWTPCSSDMKSB-QGZVFWFLSA-N -1 1 337.753 3.896 20 0 EHADMM Cc1cccc([C@@H]2CCCCN2C(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436678558 1026028934 /nfs/dbraw/zinc/02/89/34/1026028934.db2.gz CIBYXFUIHLIHAM-IBGZPJMESA-N -1 1 337.419 3.946 20 0 EHADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC001141709813 1026045181 /nfs/dbraw/zinc/04/51/81/1026045181.db2.gz MZLFZQMRLDPRAC-UHFFFAOYSA-N -1 1 344.223 3.647 20 0 EHADMM C[C@@H]1COc2ccccc2CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436738762 1026106946 /nfs/dbraw/zinc/10/69/46/1026106946.db2.gz ULJXFQDEVAUSCI-CQSZACIVSA-N -1 1 333.387 3.969 20 0 EHADMM O=C(NCc1nccc2ccccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762482 1026132401 /nfs/dbraw/zinc/13/24/01/1026132401.db2.gz FFYDKPGEARVNKC-UHFFFAOYSA-N -1 1 346.308 3.889 20 0 EHADMM COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000436756689 1026146723 /nfs/dbraw/zinc/14/67/23/1026146723.db2.gz SPIXHVGPFLABQF-UHFFFAOYSA-N -1 1 335.359 3.513 20 0 EHADMM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000559963646 1026153549 /nfs/dbraw/zinc/15/35/49/1026153549.db2.gz UUJPLTYCSAPRQQ-UHFFFAOYSA-N -1 1 339.848 3.694 20 0 EHADMM O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1ccccc1[O-] ZINC000684863609 1026211504 /nfs/dbraw/zinc/21/15/04/1026211504.db2.gz LBOHBOSQGJFAOQ-UHFFFAOYSA-N -1 1 333.391 3.844 20 0 EHADMM COc1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc(OC)c1 ZINC000684868415 1026235391 /nfs/dbraw/zinc/23/53/91/1026235391.db2.gz AMCPIWUDFDEKPA-UHFFFAOYSA-N -1 1 341.285 3.681 20 0 EHADMM COCc1cccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684870398 1026252553 /nfs/dbraw/zinc/25/25/53/1026252553.db2.gz FDTNNJPGIHUFHJ-UHFFFAOYSA-N -1 1 325.286 3.810 20 0 EHADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871588 1026262258 /nfs/dbraw/zinc/26/22/58/1026262258.db2.gz MZYJPAGAVISVKV-XHDPSFHLSA-N -1 1 345.361 3.736 20 0 EHADMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876605 1026288899 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CCCc1nnc([N-]C(=O)c2nc(C)oc2-c2ccccc2)s1 ZINC000273443645 1027430960 /nfs/dbraw/zinc/43/09/60/1027430960.db2.gz DNKRFHALUHREQR-UHFFFAOYSA-N -1 1 328.397 3.706 20 0 EHADMM CCOc1cc(-c2noc(C(C)(C)CCOC)n2)cc(Cl)c1[O-] ZINC000277862145 1027458735 /nfs/dbraw/zinc/45/87/35/1027458735.db2.gz HKHGETCSQVDVPZ-UHFFFAOYSA-N -1 1 340.807 3.808 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C)n1 ZINC000414453609 1027513596 /nfs/dbraw/zinc/51/35/96/1027513596.db2.gz DHBUZICTEUNSTG-UHFFFAOYSA-N -1 1 330.453 3.686 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3CCC[C@H](C4CC4)C3)nc2)[n-]c(=O)c1C ZINC000078379404 1027742995 /nfs/dbraw/zinc/74/29/95/1027742995.db2.gz FRSAXUSUJJAKLC-DOTOQJQBSA-N -1 1 338.455 3.829 20 0 EHADMM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)on1 ZINC000133191108 1028005300 /nfs/dbraw/zinc/00/53/00/1028005300.db2.gz YVZXQGSLFLBZPD-MRVPVSSYSA-N -1 1 338.310 3.505 20 0 EHADMM COc1cc(C(=O)Nc2ccc3nc(C)oc3c2)cc(Cl)c1[O-] ZINC000153537086 1028118421 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COc1cc(-c2noc([C@H](C)C3CC3)n2)cc(Br)c1[O-] ZINC000445395202 1028760744 /nfs/dbraw/zinc/76/07/44/1028760744.db2.gz WNTZXFXEKKDQMX-SSDOTTSWSA-N -1 1 339.189 3.727 20 0 EHADMM CCOc1cc(-c2noc(Cc3ccc(O)cc3)n2)cc(Cl)c1[O-] ZINC000445408599 1028764598 /nfs/dbraw/zinc/76/45/98/1028764598.db2.gz IXUPNNCTULYHEH-UHFFFAOYSA-N -1 1 346.770 3.791 20 0 EHADMM CN(Cc1nc(-c2ccc([O-])cc2Cl)no1)Cc1ccccc1 ZINC000445450153 1028784851 /nfs/dbraw/zinc/78/48/51/1028784851.db2.gz RCMXRGUWVPVHFQ-UHFFFAOYSA-N -1 1 329.787 3.728 20 0 EHADMM COCCCOc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445458447 1028825424 /nfs/dbraw/zinc/82/54/24/1028825424.db2.gz XKUGWRZDWJDGAB-UHFFFAOYSA-N -1 1 344.342 3.664 20 0 EHADMM CC(C)C(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445459853 1028828048 /nfs/dbraw/zinc/82/80/48/1028828048.db2.gz INOVSOPALFVIQG-UHFFFAOYSA-N -1 1 341.342 3.843 20 0 EHADMM [O-]c1ccc(-c2noc(COc3ccc(F)c(Cl)c3)n2)cc1F ZINC000445485347 1028845906 /nfs/dbraw/zinc/84/59/06/1028845906.db2.gz 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EHADMM COc1cc(C)cc([N-]S(=O)(=O)c2cccc(Cl)c2)c1C ZINC000447276681 1030078613 /nfs/dbraw/zinc/07/86/13/1030078613.db2.gz COAYCIBYEVXLMI-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1[O-] ZINC000120843648 1030123731 /nfs/dbraw/zinc/12/37/31/1030123731.db2.gz QZYSCZUWLOCLGP-UHFFFAOYSA-N -1 1 348.406 3.629 20 0 EHADMM CCC(CC)N1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CC1=O ZINC000278334087 1030208784 /nfs/dbraw/zinc/20/87/84/1030208784.db2.gz ZUGBXABPJVMIDX-SNVBAGLBSA-N -1 1 349.818 3.600 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c(C)c1 ZINC000447775446 1030475126 /nfs/dbraw/zinc/47/51/26/1030475126.db2.gz HXQQPIVHJVKNBI-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447777348 1030477662 /nfs/dbraw/zinc/47/76/62/1030477662.db2.gz NUBSMNNOFMUOIO-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM COC(=O)c1c[n-]c(SCCOc2cccc3ccccc32)n1 ZINC000193550031 1030581266 /nfs/dbraw/zinc/58/12/66/1030581266.db2.gz 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349.377 3.988 20 0 EHADMM CCCOc1cccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000417637338 1040117468 /nfs/dbraw/zinc/11/74/68/1040117468.db2.gz CAIMNTXRDFHZFT-UHFFFAOYSA-N -1 1 335.350 3.742 20 0 EHADMM CCC(C)(C)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000907861036 1040205035 /nfs/dbraw/zinc/20/50/35/1040205035.db2.gz SGBHLENOQCPJGU-UHFFFAOYSA-N -1 1 325.412 4.000 20 0 EHADMM CC[C@H]1CCc2c(sc3nc(-c4cnn(CCF)c4)[n-]c(=O)c23)C1 ZINC000899233739 1040218931 /nfs/dbraw/zinc/21/89/31/1040218931.db2.gz MZZJBCUHHIPYBX-JTQLQIEISA-N -1 1 346.431 3.745 20 0 EHADMM [O-]c1cccc(CN2CC3(CCOCC3)[C@H]2c2ccco2)c1Cl ZINC000668672902 1040388819 /nfs/dbraw/zinc/38/88/19/1040388819.db2.gz CRTFCQDTXNXNIG-QGZVFWFLSA-N -1 1 333.815 3.992 20 0 EHADMM CSCC1(CC(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908706467 1040602348 /nfs/dbraw/zinc/60/23/48/1040602348.db2.gz BTEKWWMANAGNFS-UHFFFAOYSA-N -1 1 330.247 3.627 20 0 EHADMM CCC1=C(C(=O)Nc2cccc([O-])c2Br)CCCO1 ZINC000908708765 1040604253 /nfs/dbraw/zinc/60/42/53/1040604253.db2.gz 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CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1 ZINC000179727552 1127084941 /nfs/dbraw/zinc/08/49/41/1127084941.db2.gz JGOWSWBQOLXHSI-UHFFFAOYSA-N -1 1 348.449 3.884 20 0 EHADMM COc1cc(C(=O)N2CCc3ccsc3[C@H]2C)cc(Cl)c1[O-] ZINC000921503194 1127089437 /nfs/dbraw/zinc/08/94/37/1127089437.db2.gz FEYWTVKVRRPNGD-SECBINFHSA-N -1 1 337.828 3.875 20 0 EHADMM Cc1nnc(-c2cccc(-c3nc(-c4ccc([O-])c(F)c4)no3)c2)o1 ZINC000350832457 1127106382 /nfs/dbraw/zinc/10/63/82/1127106382.db2.gz HYALOUSYSNYRIJ-UHFFFAOYSA-N -1 1 338.298 3.607 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)cc1F ZINC000350842606 1127107180 /nfs/dbraw/zinc/10/71/80/1127107180.db2.gz YYFCUBAWYQLRLG-NSHDSACASA-N -1 1 333.344 3.556 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc(-c4ccncc4)s3)n2)cc1F ZINC000350836080 1127107190 /nfs/dbraw/zinc/10/71/90/1127107190.db2.gz PUOKLXSTOLZWNX-UHFFFAOYSA-N -1 1 340.339 3.767 20 0 EHADMM O=C(CC1CCC(F)(F)CC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000624037943 1127238447 /nfs/dbraw/zinc/23/84/47/1127238447.db2.gz MGJGYDQUAAJPKZ-UHFFFAOYSA-N -1 1 335.354 3.936 20 0 EHADMM O=C(NC1CC1)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000022229051 1127688350 /nfs/dbraw/zinc/68/83/50/1127688350.db2.gz SSVQPMQNOICZEE-UHFFFAOYSA-N -1 1 346.386 3.690 20 0 EHADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccs1 ZINC000060507315 1128104609 /nfs/dbraw/zinc/10/46/09/1128104609.db2.gz JTTQGZNPTQWDLH-LLVKDONJSA-N -1 1 335.372 3.595 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911003 1128160094 /nfs/dbraw/zinc/16/00/94/1128160094.db2.gz FYZOMCZTEWTLFS-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cc(F)c(Cl)cc3Cl)no2)n[n-]1 ZINC001212429762 1128586060 /nfs/dbraw/zinc/58/60/60/1128586060.db2.gz OLQQUAAVODNJQW-UHFFFAOYSA-N -1 1 341.129 3.775 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cc(F)c(Cl)cc3Cl)no2)[n-]n1 ZINC001212429762 1128586061 /nfs/dbraw/zinc/58/60/61/1128586061.db2.gz OLQQUAAVODNJQW-UHFFFAOYSA-N -1 1 341.129 3.775 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cccc(C)c2F)n[nH]c1-c1ccccc1 ZINC000542864931 1128712017 /nfs/dbraw/zinc/71/20/17/1128712017.db2.gz OFZPOPCKFYLVCU-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM C[C@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000388907609 1128796189 /nfs/dbraw/zinc/79/61/89/1128796189.db2.gz TWLVYMMMOSWBMK-JOYOIKCWSA-N -1 1 333.762 3.627 20 0 EHADMM CC[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1cc(C)ccc1C ZINC001648851095 1120054356 /nfs/dbraw/zinc/05/43/56/1120054356.db2.gz UVDCPQROAVKGHI-HNNXBMFYSA-N -1 1 340.452 3.516 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000263006212 1120313118 /nfs/dbraw/zinc/31/31/18/1120313118.db2.gz AQPZSSLFHNVVLS-MWLCHTKSSA-N -1 1 335.753 3.901 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1F ZINC000195448606 1120784742 /nfs/dbraw/zinc/78/47/42/1120784742.db2.gz OPNGWTGMBMMIII-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2c(c1)-c1ccccc1C2 ZINC000914531411 1120880765 /nfs/dbraw/zinc/88/07/65/1120880765.db2.gz PLIZCVYFSBULSQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/65/43/09/1121654309.db2.gz MRWUWJBDGCCFGD-UHFFFAOYSA-N -1 1 348.424 3.537 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@]12C[C@H]1CCCC2 ZINC001670878202 1121853795 /nfs/dbraw/zinc/85/37/95/1121853795.db2.gz XRPLYQFEEHXRGR-RWSFTLGLSA-N -1 1 331.840 3.726 20 0 EHADMM CCCn1ccc(CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000763400317 1122227913 /nfs/dbraw/zinc/22/79/13/1122227913.db2.gz WGQVFHRFTHMFAW-UHFFFAOYSA-N -1 1 336.819 3.586 20 0 EHADMM Cc1[n-]n(-c2ncnc3scc(-c4ccc(C)cc4)c32)c(=O)c1F ZINC000917347847 1122583560 /nfs/dbraw/zinc/58/35/60/1122583560.db2.gz MKWDJGNAIDVORZ-CQSZACIVSA-N -1 1 340.383 3.727 20 0 EHADMM CC(C)Oc1ncccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000917753419 1122677179 /nfs/dbraw/zinc/67/71/79/1122677179.db2.gz KSXBDSXXRXIRQP-UHFFFAOYSA-N -1 1 344.436 3.598 20 0 EHADMM COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000129639664 1122813676 /nfs/dbraw/zinc/81/36/76/1122813676.db2.gz AOZMMVVAWYDXDX-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM C[C@@H](Cc1ccsc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000231328684 1122986703 /nfs/dbraw/zinc/98/67/03/1122986703.db2.gz HQRCINUKATZWNY-VIFPVBQESA-N -1 1 340.242 3.577 20 0 EHADMM O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1cncc([O-])c1 ZINC000557031989 1123274255 /nfs/dbraw/zinc/27/42/55/1123274255.db2.gz TVNDWWQCKLJUHD-UHFFFAOYSA-N -1 1 348.406 3.578 20 0 EHADMM CC[C@H](NCc1nncn1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000155175829 1123277581 /nfs/dbraw/zinc/27/75/81/1123277581.db2.gz ITTCCHOTWAKEJA-NSHDSACASA-N -1 1 329.231 3.551 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1F ZINC000132762496 1123297622 /nfs/dbraw/zinc/29/76/22/1123297622.db2.gz YJYNWMRIUTWFSV-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1c([O-])cccc1Cl ZINC000920463530 1123371480 /nfs/dbraw/zinc/37/14/80/1123371480.db2.gz RBJSGHYMHVNOBR-SECBINFHSA-N -1 1 341.741 3.521 20 0 EHADMM CC(C)[C@@H](CNC(=O)c1c([O-])cccc1Cl)Nc1ccccc1 ZINC000920438270 1123374329 /nfs/dbraw/zinc/37/43/29/1123374329.db2.gz XJHZMTNDXNXWQH-OAHLLOKOSA-N -1 1 332.831 3.912 20 0 EHADMM O=C(NCc1cc2ccccc2[nH]1)c1ccc(Br)c([O-])c1 ZINC000133330856 1123386120 /nfs/dbraw/zinc/38/61/20/1123386120.db2.gz GXZVNUIWLHVGCU-UHFFFAOYSA-N -1 1 345.196 3.566 20 0 EHADMM O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc([O-])cc1F ZINC000133663774 1123413087 /nfs/dbraw/zinc/41/30/87/1123413087.db2.gz HENGZXNDJQKAAB-UHFFFAOYSA-N -1 1 328.368 3.831 20 0 EHADMM C[C@H]1CCCC[C@@H]1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000920727759 1123416196 /nfs/dbraw/zinc/41/61/96/1123416196.db2.gz LVNCCSCKEGTTFA-QWHCGFSZSA-N -1 1 330.380 3.758 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000077688367 1123574175 /nfs/dbraw/zinc/57/41/75/1123574175.db2.gz CMKPQXPSZXTTEX-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM COc1cc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)cc(Cl)c1[O-] ZINC000135065017 1123578493 /nfs/dbraw/zinc/57/84/93/1123578493.db2.gz YUKIBXNOTUWSDH-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1c(C)noc1C ZINC000135220771 1123592511 /nfs/dbraw/zinc/59/25/11/1123592511.db2.gz ASLLZQAUSFIHDR-GFCCVEGCSA-N -1 1 338.791 3.540 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000135391430 1123607727 /nfs/dbraw/zinc/60/77/27/1123607727.db2.gz GUMHGRKZOPQDTE-UHFFFAOYSA-N -1 1 340.404 3.628 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3C[C@]3(C)c3ccccc3)nc2)[n-]c(=O)c1C ZINC000078374272 1129137661 /nfs/dbraw/zinc/13/76/61/1129137661.db2.gz DGKWKYUXZGMANZ-DYESRHJHSA-N -1 1 346.434 3.591 20 0 EHADMM CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000180892165 1124093414 /nfs/dbraw/zinc/09/34/14/1124093414.db2.gz HZVXAAIRHICMAK-UHFFFAOYSA-N -1 1 342.395 3.543 20 0 EHADMM O=C(CCc1cccc(Cl)c1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365973 1124499936 /nfs/dbraw/zinc/49/99/36/1124499936.db2.gz PDOLATIDPRZAPB-UHFFFAOYSA-N -1 1 331.828 3.785 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC(C)C)cc2)[n-]c1=O ZINC000347488809 1124549572 /nfs/dbraw/zinc/54/95/72/1124549572.db2.gz RKZGBAYEDMZSPJ-RAXLEYEMSA-N -1 1 342.395 3.707 20 0 EHADMM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1c([O-])cccc1Cl ZINC000734876519 1131286316 /nfs/dbraw/zinc/28/63/16/1131286316.db2.gz CZAFCWUOTYSWOY-ZDUSSCGKSA-N -1 1 348.805 3.584 20 0 EHADMM O=C([N-]c1nc(C2CC2)no1)c1ccc(COc2ccc(F)cc2)o1 ZINC000734878514 1131286364 /nfs/dbraw/zinc/28/63/64/1131286364.db2.gz JTLGCHULRNCPRK-UHFFFAOYSA-N -1 1 343.314 3.510 20 0 EHADMM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CC1(Cl)Cl ZINC000181608594 1124984168 /nfs/dbraw/zinc/98/41/68/1124984168.db2.gz GXTPIKGSKXPLJA-HZGVNTEJSA-N -1 1 348.098 3.878 20 0 EHADMM C[C@H](N(C)Cc1ccc(C(=O)[O-])cc1Br)C1(C)CC1 ZINC000385190589 1125255211 /nfs/dbraw/zinc/25/52/11/1125255211.db2.gz MKNXZCPBBPFRJY-JTQLQIEISA-N -1 1 326.234 3.768 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000619184988 1125307037 /nfs/dbraw/zinc/30/70/37/1125307037.db2.gz ZPFXCVSAUZQUCW-PXNSSMCTSA-N -1 1 339.435 3.967 20 0 EHADMM Cc1cc(F)c(Br)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000682818317 1129242638 /nfs/dbraw/zinc/24/26/38/1129242638.db2.gz CYOZSHAXOFTKNQ-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C)cc2)cc1F ZINC000543163789 1129303823 /nfs/dbraw/zinc/30/38/23/1129303823.db2.gz HEHBUXAYEIPNNN-UHFFFAOYSA-N -1 1 329.393 3.796 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000132500916 1129359263 /nfs/dbraw/zinc/35/92/63/1129359263.db2.gz ATEJNLFIPQCOMN-OAHLLOKOSA-N -1 1 344.484 3.565 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(O)c(C(C)C)c1 ZINC000922377373 1129509123 /nfs/dbraw/zinc/50/91/23/1129509123.db2.gz FQSOERCYVILECN-UHFFFAOYSA-N -1 1 329.400 3.695 20 0 EHADMM CCNC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000097013833 1129754222 /nfs/dbraw/zinc/75/42/22/1129754222.db2.gz UAJXWMQUDOWDNR-UHFFFAOYSA-N -1 1 348.402 3.856 20 0 EHADMM O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1O ZINC000029835799 1129902617 /nfs/dbraw/zinc/90/26/17/1129902617.db2.gz UNVBSYPLTMJPQG-QGZVFWFLSA-N -1 1 344.842 3.613 20 0 EHADMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000673983193 1129933710 /nfs/dbraw/zinc/93/37/10/1129933710.db2.gz IISRYYMLELKYQM-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1 ZINC000134044776 1129977323 /nfs/dbraw/zinc/97/73/23/1129977323.db2.gz NLOYYJLTCLGZTE-UHFFFAOYSA-N -1 1 329.425 3.726 20 0 EHADMM O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000674324084 1130065589 /nfs/dbraw/zinc/06/55/89/1130065589.db2.gz LHOYMNLFIJSKKD-UHFFFAOYSA-N -1 1 338.338 3.649 20 0 EHADMM CCC[C@@H](NC(=O)c1sc2cc(C)ccc2c1Cl)c1nn[n-]n1 ZINC000675144809 1130266367 /nfs/dbraw/zinc/26/63/67/1130266367.db2.gz VVLLRKQLUDLVBT-SNVBAGLBSA-N -1 1 349.847 3.647 20 0 EHADMM CCc1cc2c(COC(=O)/C=C\C(C)(C)C)cc(=O)oc2cc1[O-] ZINC000732404576 1130924487 /nfs/dbraw/zinc/92/44/87/1130924487.db2.gz LUOVJTGVRNZKBQ-SREVYHEPSA-N -1 1 330.380 3.707 20 0 EHADMM Cc1ccccc1[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CCO1 ZINC000743637119 1131957420 /nfs/dbraw/zinc/95/74/20/1131957420.db2.gz LRQHQTSHOPCRER-INIZCTEOSA-N -1 1 331.799 3.568 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC001212721645 1132056687 /nfs/dbraw/zinc/05/66/87/1132056687.db2.gz YPDQMGXUKIWLDY-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)no1 ZINC001212721448 1132057555 /nfs/dbraw/zinc/05/75/55/1132057555.db2.gz QZSMASGIJRYPSD-UHFFFAOYSA-N -1 1 341.220 3.542 20 0 EHADMM CCCc1nc(C)c(C(=O)OCCc2cc(C(C)=O)ccc2[O-])s1 ZINC000744746324 1132142912 /nfs/dbraw/zinc/14/29/12/1132142912.db2.gz NQSMMJOJXKEAAP-UHFFFAOYSA-N -1 1 347.436 3.712 20 0 EHADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cccc3ccccc32)c1 ZINC001173797521 1132150559 /nfs/dbraw/zinc/15/05/59/1132150559.db2.gz QVGXBZXQLKMZSV-UHFFFAOYSA-N -1 1 342.376 3.555 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2OC(C)C)c1 ZINC000744967327 1132173563 /nfs/dbraw/zinc/17/35/63/1132173563.db2.gz WUFCMSPMVNNWNE-UHFFFAOYSA-N -1 1 342.391 3.782 20 0 EHADMM CCc1cc2c(COC(=O)[C@@H](C)c3ccco3)cc(=O)oc2cc1[O-] ZINC000745131022 1132200584 /nfs/dbraw/zinc/20/05/84/1132200584.db2.gz BZIXEQTZGYEPIH-NSHDSACASA-N -1 1 342.347 3.501 20 0 EHADMM O=S(=O)([O-])c1ccc2ccc(Nc3cccc4n[nH]cc43)cc2c1 ZINC001174345873 1132324677 /nfs/dbraw/zinc/32/46/77/1132324677.db2.gz YKERWRUVDDVGMX-UHFFFAOYSA-N -1 1 339.376 3.706 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(N3CCCC3)cc2)c1 ZINC001174527055 1132384347 /nfs/dbraw/zinc/38/43/47/1132384347.db2.gz LYIGCZAFJRDQTO-UHFFFAOYSA-N -1 1 346.452 3.530 20 0 EHADMM Cc1cccc2c1CCCN2Cn1[n-]c(-c2ccccn2)nc1=S ZINC000766353841 1132516195 /nfs/dbraw/zinc/51/61/95/1132516195.db2.gz YETBGBUZGPZMBS-UHFFFAOYSA-N -1 1 337.452 3.721 20 0 EHADMM CCCCc1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])cc1 ZINC001175030584 1132543109 /nfs/dbraw/zinc/54/31/09/1132543109.db2.gz FYFKPVNYTCFIFB-UHFFFAOYSA-N -1 1 348.424 3.745 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(Cl)ccc2F)c1 ZINC001175300456 1132618182 /nfs/dbraw/zinc/61/81/82/1132618182.db2.gz VDZQCOJCJLGGFL-UHFFFAOYSA-N -1 1 329.780 3.722 20 0 EHADMM O=C(NCc1ccnc2ccccc12)c1c([O-])cnc2c(F)cccc21 ZINC001169019673 1132639529 /nfs/dbraw/zinc/63/95/29/1132639529.db2.gz JFDRVHRPRMQKIJ-UHFFFAOYSA-N -1 1 347.349 3.558 20 0 EHADMM CCc1cccc(N(C(=S)[N-]C(=O)OC)c2ccccc2N)c1 ZINC001175553469 1132708873 /nfs/dbraw/zinc/70/88/73/1132708873.db2.gz KHDBRFYKVUHGEM-UHFFFAOYSA-N -1 1 329.425 3.610 20 0 EHADMM C[C@@H]1CCC[C@@H](OCCCCCC(=O)[N-]OCC(F)(F)F)C1 ZINC000766828689 1132855452 /nfs/dbraw/zinc/85/54/52/1132855452.db2.gz XYPOSDKJJSKCBL-CHWSQXEVSA-N -1 1 325.371 3.752 20 0 EHADMM C[C@@H]1CCC[C@H](OCCCCCC(=O)[N-]OCC(F)(F)F)C1 ZINC000766828690 1132855846 /nfs/dbraw/zinc/85/58/46/1132855846.db2.gz XYPOSDKJJSKCBL-OLZOCXBDSA-N -1 1 325.371 3.752 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2nccnc2OCc2ccccc2)c1F ZINC001176663494 1132978479 /nfs/dbraw/zinc/97/84/79/1132978479.db2.gz HAIXHVPVZFJBNM-UHFFFAOYSA-N -1 1 347.296 3.922 20 0 EHADMM CC(C)S(=O)(=O)c1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670132 1132979006 /nfs/dbraw/zinc/97/90/06/1132979006.db2.gz SSEOZHVHMSNNCJ-UHFFFAOYSA-N -1 1 345.342 3.735 20 0 EHADMM O=C(NCc1ccc(O)c(Cl)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001176994762 1133019421 /nfs/dbraw/zinc/01/94/21/1133019421.db2.gz YDDHINDZZPYBSU-UHFFFAOYSA-N -1 1 345.704 3.700 20 0 EHADMM COc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1Cl ZINC001177315927 1133053325 /nfs/dbraw/zinc/05/33/25/1133053325.db2.gz SIAXIXLDZHUYBP-UHFFFAOYSA-N -1 1 326.179 3.638 20 0 EHADMM C[C@H](NC(=O)c1ncccc1[O-])c1cc(Cl)cc(Cl)c1F ZINC001177319915 1133054480 /nfs/dbraw/zinc/05/44/80/1133054480.db2.gz BFOWEHOIPGZIIZ-ZETCQYMHSA-N -1 1 329.158 3.724 20 0 EHADMM CCOc1ncccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768868387 1133192676 /nfs/dbraw/zinc/19/26/76/1133192676.db2.gz MONGHSATUKJLPY-NTMALXAHSA-N -1 1 338.816 3.546 20 0 EHADMM O=C(NCc1cccc(Br)c1)c1cc(Cl)ccc1[O-] ZINC000070140591 1133321503 /nfs/dbraw/zinc/32/15/03/1133321503.db2.gz UVCVGVQZBWTWAU-UHFFFAOYSA-N -1 1 340.604 3.738 20 0 EHADMM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1c([O-])cccc1Cl ZINC000769758579 1133338199 /nfs/dbraw/zinc/33/81/99/1133338199.db2.gz KLYJTSWKOXCVBA-BLLLJJGKSA-N -1 1 331.799 3.648 20 0 EHADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769780855 1133345407 /nfs/dbraw/zinc/34/54/07/1133345407.db2.gz YMKOTDQZADCFEK-BXUZGUMPSA-N -1 1 334.416 3.658 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H](O)c1cccc(F)c1 ZINC000770037813 1133380646 /nfs/dbraw/zinc/38/06/46/1133380646.db2.gz FBHHBFDTBGTXOO-HXPMCKFVSA-N -1 1 339.366 3.536 20 0 EHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H](O)c1cccc(F)c1 ZINC000770037810 1133381099 /nfs/dbraw/zinc/38/10/99/1133381099.db2.gz FBHHBFDTBGTXOO-BLVKFPJESA-N -1 1 339.366 3.536 20 0 EHADMM COc1cc(-c2noc(/C=C/SC)n2)cc(Br)c1[O-] ZINC000771229461 1133523958 /nfs/dbraw/zinc/52/39/58/1133523958.db2.gz MFLDYRUPDPMPEY-ONEGZZNKSA-N -1 1 343.202 3.547 20 0 EHADMM Cc1ccc(-c2ccc(C(=O)Nc3c[n-][nH]c3=O)c(F)c2)cc1C ZINC001183563008 1133823677 /nfs/dbraw/zinc/82/36/77/1133823677.db2.gz ODURUYAKPSBLCK-UHFFFAOYSA-N -1 1 325.343 3.791 20 0 EHADMM CC(C)Oc1ccccc1CSCCC[N-]C(=O)C(F)(F)F ZINC000774674488 1133848638 /nfs/dbraw/zinc/84/86/38/1133848638.db2.gz DGAQAXUUTPCCTE-UHFFFAOYSA-N -1 1 335.391 3.776 20 0 EHADMM O=C(NCc1cccc(F)c1F)c1c([O-])cnc2ccc(Cl)cc21 ZINC001184090682 1133892457 /nfs/dbraw/zinc/89/24/57/1133892457.db2.gz IYBUXHUWQSYSER-UHFFFAOYSA-N -1 1 348.736 3.802 20 0 EHADMM CSc1nc(C)c(CCC(=O)OC2CCC(C)(C)CC2)c(=O)[n-]1 ZINC000774771013 1133971241 /nfs/dbraw/zinc/97/12/41/1133971241.db2.gz XMDJNWFSNAKZKS-UHFFFAOYSA-N -1 1 338.473 3.657 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc(Br)c1 ZINC000788158432 1134090159 /nfs/dbraw/zinc/09/01/59/1134090159.db2.gz JLYQOIVCETUAJO-UHFFFAOYSA-N -1 1 333.594 3.517 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)ccc1Cl ZINC001185524777 1134103087 /nfs/dbraw/zinc/10/30/87/1134103087.db2.gz KKBNVMQBPNMSPF-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ccncc3c2)ccc1Cl ZINC001185524142 1134103227 /nfs/dbraw/zinc/10/32/27/1134103227.db2.gz BOEGWKHVOCXOID-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM C[C@@H](CCc1ccccc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC001186013777 1134158731 /nfs/dbraw/zinc/15/87/31/1134158731.db2.gz ZCRSQMNEOPHDFF-NSHDSACASA-N -1 1 349.228 3.757 20 0 EHADMM O=C(NCc1ccc(Oc2ccccn2)cc1)c1ccc([O-])c(F)c1 ZINC001186233615 1134184374 /nfs/dbraw/zinc/18/43/74/1134184374.db2.gz LNIMODHDPXONSY-UHFFFAOYSA-N -1 1 338.338 3.649 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@H](C)c1ccccc1 ZINC001187651439 1134368256 /nfs/dbraw/zinc/36/82/56/1134368256.db2.gz YJKBJWKYZMGEFY-NWDGAFQWSA-N -1 1 341.835 3.950 20 0 EHADMM COc1ccc(Cl)cc1NC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001187925640 1134401073 /nfs/dbraw/zinc/40/10/73/1134401073.db2.gz QEXHSZAZBRVSDA-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc21 ZINC001188055759 1134414957 /nfs/dbraw/zinc/41/49/57/1134414957.db2.gz YDAQGZZNHDCUPM-OAHLLOKOSA-N -1 1 337.391 3.666 20 0 EHADMM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc21 ZINC001188055757 1134415156 /nfs/dbraw/zinc/41/51/56/1134415156.db2.gz YDAQGZZNHDCUPM-HNNXBMFYSA-N -1 1 337.391 3.666 20 0 EHADMM COc1cncc(C(=O)[N-]c2cccc(Cl)c2SC(F)F)n1 ZINC000790561234 1134435273 /nfs/dbraw/zinc/43/52/73/1134435273.db2.gz ZAXROQVSAUABFK-UHFFFAOYSA-N -1 1 345.758 3.706 20 0 EHADMM O=C(Nc1ccc2c3c(cccc31)CC2)c1ncc(C(F)(F)F)[n-]1 ZINC001188288616 1134444740 /nfs/dbraw/zinc/44/47/40/1134444740.db2.gz GKLYNWIGBOBELO-UHFFFAOYSA-N -1 1 331.297 3.933 20 0 EHADMM O=C(Nc1ccc2c3c(cccc31)CC2)c1nc(C(F)(F)F)c[n-]1 ZINC001188288616 1134444745 /nfs/dbraw/zinc/44/47/45/1134444745.db2.gz GKLYNWIGBOBELO-UHFFFAOYSA-N -1 1 331.297 3.933 20 0 EHADMM O=C([N-][C@@H](C1CCCCC1)C(F)(F)F)C(F)(F)C1CCOCC1 ZINC000790759758 1134458215 /nfs/dbraw/zinc/45/82/15/1134458215.db2.gz TZVDJWQRIALLLK-LBPRGKRZSA-N -1 1 343.336 3.676 20 0 EHADMM COc1ccc(NC(=O)Nc2cc([O-])c(F)cc2F)cc1Cl ZINC001188473211 1134470533 /nfs/dbraw/zinc/47/05/33/1134470533.db2.gz URVULXKMZLENRP-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM COc1nc(Cl)ccc1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188571861 1134477813 /nfs/dbraw/zinc/47/78/13/1134477813.db2.gz GRSIOMDYXBEKNU-UHFFFAOYSA-N -1 1 346.692 3.720 20 0 EHADMM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1Cl)c1ccoc1 ZINC001188615596 1134483034 /nfs/dbraw/zinc/48/30/34/1134483034.db2.gz RRXQHUWFHVWEPE-UHFFFAOYSA-N -1 1 341.694 3.632 20 0 EHADMM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588484 1134485257 /nfs/dbraw/zinc/48/52/57/1134485257.db2.gz DFXGAJGARHWPCA-UHFFFAOYSA-N -1 1 338.241 3.510 20 0 EHADMM O=C(Nc1cccc2c(=O)[nH]ccc12)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587438 1134485751 /nfs/dbraw/zinc/48/57/51/1134485751.db2.gz VDQBHOMIUKOXBD-UHFFFAOYSA-N -1 1 348.280 3.917 20 0 EHADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cc([N-]c2cnoc2)on1 ZINC001203234122 1134537268 /nfs/dbraw/zinc/53/72/68/1134537268.db2.gz NXNRGUJDJUSTBH-CYBMUJFWSA-N -1 1 334.376 3.868 20 0 EHADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(F)c2ccccc21 ZINC001189354106 1134580004 /nfs/dbraw/zinc/58/00/04/1134580004.db2.gz BFBMKLKIMXCPAK-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cc(F)cc(F)c1F ZINC001190388805 1134689216 /nfs/dbraw/zinc/68/92/16/1134689216.db2.gz ZCHIYFPFGLXFGA-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCC2(C)CC2)c([O-])c1 ZINC000792494041 1134689323 /nfs/dbraw/zinc/68/93/23/1134689323.db2.gz NLTREZKNACXPGQ-UHFFFAOYSA-N -1 1 334.416 3.659 20 0 EHADMM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500718 1134706760 /nfs/dbraw/zinc/70/67/60/1134706760.db2.gz XRTPCCNPQMUUEH-UHFFFAOYSA-N -1 1 333.384 3.707 20 0 EHADMM CCCC[C@H]1CC[C@H](c2ccc(C(=O)NCc3nn[n-]n3)cc2)CC1 ZINC001190911612 1134769042 /nfs/dbraw/zinc/76/90/42/1134769042.db2.gz BNTHRWFTODRYRF-SHTZXODSSA-N -1 1 341.459 3.594 20 0 EHADMM Cc1cc(F)ccc1CN(C)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000792706518 1134783358 /nfs/dbraw/zinc/78/33/58/1134783358.db2.gz CDKXJPPNEVUFOS-UHFFFAOYSA-N -1 1 343.431 3.540 20 0 EHADMM COc1cc(C(=O)NCc2ccccc2C2CC2)cc(Cl)c1[O-] ZINC001191155802 1134804429 /nfs/dbraw/zinc/80/44/29/1134804429.db2.gz MZCRKRFHJZXNFK-UHFFFAOYSA-N -1 1 331.799 3.862 20 0 EHADMM COC(=O)c1c(F)ccc(Cl)c1[N-]C(=O)c1nc(Cl)cs1 ZINC001273625423 1134933540 /nfs/dbraw/zinc/93/35/40/1134933540.db2.gz FPISVWIZBJBVRK-UHFFFAOYSA-N -1 1 349.170 3.628 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC001192286901 1134993327 /nfs/dbraw/zinc/99/33/27/1134993327.db2.gz VVAFVKBTZUZZNA-UHFFFAOYSA-N -1 1 347.411 3.828 20 0 EHADMM O=C(Nc1ccc(OC(F)F)c(Cl)c1)Nc1ncccc1[O-] ZINC001192288909 1134994475 /nfs/dbraw/zinc/99/44/75/1134994475.db2.gz JJSRYDDOCFJIGQ-UHFFFAOYSA-N -1 1 329.690 3.686 20 0 EHADMM CC(C)(CCS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1)C1CC1 ZINC001192740700 1135049130 /nfs/dbraw/zinc/04/91/30/1135049130.db2.gz CTRWOIYJCOOPGH-AWEZNQCLSA-N -1 1 337.476 3.946 20 0 EHADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc(-c2ccoc2)c1 ZINC001129638763 1135125887 /nfs/dbraw/zinc/12/58/87/1135125887.db2.gz DSNWAJXUGYCIKA-UHFFFAOYSA-N -1 1 335.363 3.573 20 0 EHADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(C2=CCCC2)cc1 ZINC001129759500 1135152252 /nfs/dbraw/zinc/15/22/52/1135152252.db2.gz PDLJERLSZVIXGC-UHFFFAOYSA-N -1 1 335.407 3.881 20 0 EHADMM CSc1nc(NC(=O)c2cc(C(C)C)ccc2Cl)cc(=O)[n-]1 ZINC001193844265 1135194191 /nfs/dbraw/zinc/19/41/91/1135194191.db2.gz CMYVQVFREOETRX-UHFFFAOYSA-N -1 1 337.832 3.933 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2CO)c2ccccc12 ZINC001193862996 1135197593 /nfs/dbraw/zinc/19/75/93/1135197593.db2.gz GOYYXFCUGVUEQT-UHFFFAOYSA-N -1 1 345.395 3.580 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3)c2ccccc12 ZINC001193863919 1135197955 /nfs/dbraw/zinc/19/79/55/1135197955.db2.gz LCVSCRDIFXVMOI-UHFFFAOYSA-N -1 1 339.416 3.979 20 0 EHADMM COc1cc(Cl)cc([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194638064 1135295665 /nfs/dbraw/zinc/29/56/65/1135295665.db2.gz GJPNQMUKQOPLBK-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM Cc1nc2c(F)cccc2cc1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194772007 1135320956 /nfs/dbraw/zinc/32/09/56/1135320956.db2.gz ABGBTEIRLRTNQQ-UHFFFAOYSA-N -1 1 338.264 3.677 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2OC)c(C)c1C ZINC001194863546 1135330849 /nfs/dbraw/zinc/33/08/49/1135330849.db2.gz FZKFMIWYSJBMDO-UHFFFAOYSA-N -1 1 349.452 3.738 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC001195031352 1135356195 /nfs/dbraw/zinc/35/61/95/1135356195.db2.gz AAWITDWPSKCMKZ-UHFFFAOYSA-N -1 1 341.427 3.665 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc2c1OCCO2 ZINC001195169682 1135386453 /nfs/dbraw/zinc/38/64/53/1135386453.db2.gz UQFUQUSVKYFKKC-UHFFFAOYSA-N -1 1 347.436 3.690 20 0 EHADMM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cc([O-])cnc1Cl ZINC001195313179 1135412115 /nfs/dbraw/zinc/41/21/15/1135412115.db2.gz RKYFKEGAUBKOIO-UHFFFAOYSA-N -1 1 337.206 3.556 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cccc(COc2ccccc2)c1 ZINC001195487350 1135432076 /nfs/dbraw/zinc/43/20/76/1135432076.db2.gz UIFURFUQGYDVBN-UHFFFAOYSA-N -1 1 330.409 3.709 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C(C)=O)c(C)c1 ZINC001196884959 1135621342 /nfs/dbraw/zinc/62/13/42/1135621342.db2.gz CVYUXMBDBUPWMB-UHFFFAOYSA-N -1 1 347.436 3.624 20 0 EHADMM [O-]c1c(F)cccc1NC(=S)Nc1c(F)c(F)cc(F)c1F ZINC001197398551 1135684608 /nfs/dbraw/zinc/68/46/08/1135684608.db2.gz ZCGFEGXROSCNBF-UHFFFAOYSA-N -1 1 334.269 3.897 20 0 EHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1csc2cnccc12 ZINC001197567175 1135707366 /nfs/dbraw/zinc/70/73/66/1135707366.db2.gz SJPQFRJTTQCZHH-UHFFFAOYSA-N -1 1 340.376 3.516 20 0 EHADMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC000081298175 1135734546 /nfs/dbraw/zinc/73/45/46/1135734546.db2.gz TYSYEBIYTIWRRC-UHFFFAOYSA-N -1 1 328.437 3.851 20 0 EHADMM O=S(=O)(Cc1ccccn1)[N-]c1ccc2c(c1)oc1ccccc12 ZINC001197820461 1135743561 /nfs/dbraw/zinc/74/35/61/1135743561.db2.gz BHUOLDVPOIPPRF-UHFFFAOYSA-N -1 1 338.388 3.923 20 0 EHADMM Cc1ccc(NC(=S)Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001197904856 1135753599 /nfs/dbraw/zinc/75/35/99/1135753599.db2.gz JBISUDNIAJNZPZ-UHFFFAOYSA-N -1 1 326.377 3.616 20 0 EHADMM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198105919 1135776216 /nfs/dbraw/zinc/77/62/16/1135776216.db2.gz SBVPPBPEVWFBIR-UHFFFAOYSA-N -1 1 349.415 3.892 20 0 EHADMM CCCCc1ccccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198154338 1135779973 /nfs/dbraw/zinc/77/99/73/1135779973.db2.gz UEHMRHVBJCWOEE-UHFFFAOYSA-N -1 1 341.436 3.773 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccc2occc2c1 ZINC001198869345 1135864229 /nfs/dbraw/zinc/86/42/29/1135864229.db2.gz DSKFTSGIKQJJEG-UHFFFAOYSA-N -1 1 340.360 3.889 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cccc(OC(F)F)n1 ZINC001199303284 1135894355 /nfs/dbraw/zinc/89/43/55/1135894355.db2.gz YROVFPUAXKGBFN-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000776012061 1135919787 /nfs/dbraw/zinc/91/97/87/1135919787.db2.gz XNGQCQIVTPQRCL-MGPLVRAMSA-N -1 1 337.778 3.691 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)c1 ZINC000776092378 1135953701 /nfs/dbraw/zinc/95/37/01/1135953701.db2.gz OYIRLAHYRVAMPE-UHFFFAOYSA-N -1 1 330.453 3.603 20 0 EHADMM CSc1nc(C)c(CCC(=O)OC[C@@H]2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000776112628 1135959584 /nfs/dbraw/zinc/95/95/84/1135959584.db2.gz KGCQUKRPFSQRAA-WCQYABFASA-N -1 1 338.473 3.515 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=S)Nc2ccc(SC)cc2)c1 ZINC001201185223 1135993271 /nfs/dbraw/zinc/99/32/71/1135993271.db2.gz KNOZSQLTXQDIAT-UHFFFAOYSA-N -1 1 348.449 3.710 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F)C(C)(C)C ZINC001201275586 1136003207 /nfs/dbraw/zinc/00/32/07/1136003207.db2.gz BFBXOCBYNDAJFP-ZETCQYMHSA-N -1 1 328.236 3.845 20 0 EHADMM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc([O-])cc1F ZINC000776171949 1136020766 /nfs/dbraw/zinc/02/07/66/1136020766.db2.gz XRWMPQTULLPQLT-MRXNPFEDSA-N -1 1 327.355 3.708 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(Oc2ccncc2)cc1 ZINC001201589504 1136044004 /nfs/dbraw/zinc/04/40/04/1136044004.db2.gz HPFGEVYIWDEJKT-UHFFFAOYSA-N -1 1 344.367 3.814 20 0 EHADMM Cc1cc(S(=O)(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c(C)o1 ZINC000776280176 1136135157 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CCN(C(=O)c1cc(Cl)ccc1[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000854562315 1136627509 /nfs/dbraw/zinc/62/75/09/1136627509.db2.gz HPYLKBZKZXPTQX-PXAZEXFGSA-N -1 1 333.815 3.630 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCCC(C)(C)C2)c1 ZINC000112681537 1136646784 /nfs/dbraw/zinc/64/67/84/1136646784.db2.gz YTSBPMULFVJNOY-UHFFFAOYSA-N -1 1 344.484 3.565 20 0 EHADMM O=C(NCCc1c[nH]c2ccccc12)c1ccc2ccc(O)cc2c1[O-] ZINC001135553885 1136710252 /nfs/dbraw/zinc/71/02/52/1136710252.db2.gz HHWPIVCDQRRGLH-UHFFFAOYSA-N -1 1 346.386 3.705 20 0 EHADMM S=c1[n-]nc(-c2cccs2)n1Cc1nc(-c2cccs2)no1 ZINC000113704042 1136734914 /nfs/dbraw/zinc/73/49/14/1136734914.db2.gz OSBPESFOQPPNRP-UHFFFAOYSA-N -1 1 347.450 3.829 20 0 EHADMM Cc1cccc2sc([N-]C(=O)c3ncoc3C(F)(F)F)nc21 ZINC000816831895 1136755648 /nfs/dbraw/zinc/75/56/48/1136755648.db2.gz JDBQTSSYCJHFOM-UHFFFAOYSA-N -1 1 327.287 3.864 20 0 EHADMM CCc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)c([O-])c1 ZINC001135703060 1136757839 /nfs/dbraw/zinc/75/78/39/1136757839.db2.gz SHNHZMNQZNSXBD-UHFFFAOYSA-N -1 1 328.393 3.825 20 0 EHADMM CSc1ccc2cc(CN(C)C[C@H](C)C(=O)[O-])c(Cl)nc2c1 ZINC000817873910 1136842733 /nfs/dbraw/zinc/84/27/33/1136842733.db2.gz SWCJDIQNGSAUTL-JTQLQIEISA-N -1 1 338.860 3.763 20 0 EHADMM CC[C@H](Oc1ccccc1C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000857508952 1136878497 /nfs/dbraw/zinc/87/84/97/1136878497.db2.gz SBQUHLCIWYVKEG-INIZCTEOSA-N -1 1 340.379 3.557 20 0 EHADMM CN(C[C@](C)(O)c1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000857543605 1136881503 /nfs/dbraw/zinc/88/15/03/1136881503.db2.gz BJQCZTPMNHCWTP-NRFANRHFSA-N -1 1 335.403 3.525 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)Nc3cccc(-c4ncco4)c3)cnc2n1 ZINC000339009650 1136926851 /nfs/dbraw/zinc/92/68/51/1136926851.db2.gz UFXPWSFAMQENNM-UHFFFAOYSA-N -1 1 346.346 3.551 20 0 EHADMM Cc1nnc(Sc2cc(Cl)nc(=O)[n-]2)n1[C@@H]1CCC[C@H](C)C1 ZINC000858459951 1136970003 /nfs/dbraw/zinc/97/00/03/1136970003.db2.gz OYHVHSJZUXKBPG-WCBMZHEXSA-N -1 1 339.852 3.638 20 0 EHADMM COc1c(F)cc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1F ZINC001136337014 1136993153 /nfs/dbraw/zinc/99/31/53/1136993153.db2.gz PZWWJQBEZJFLER-UHFFFAOYSA-N -1 1 327.714 3.514 20 0 EHADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1c([O-])cnc2c(F)cccc21 ZINC001136389722 1137010016 /nfs/dbraw/zinc/01/00/16/1137010016.db2.gz HTCJCMAZSCEBLA-OAHLLOKOSA-N -1 1 340.329 3.636 20 0 EHADMM CCCOc1c(C=Cc2ncc(OC)c(=O)[n-]2)cccc1OCC ZINC000821008912 1137015439 /nfs/dbraw/zinc/01/54/39/1137015439.db2.gz UJVFSFMJPLOALO-MDZDMXLPSA-N -1 1 330.384 3.549 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)c1C ZINC000821115827 1137017458 /nfs/dbraw/zinc/01/74/58/1137017458.db2.gz CQONLUXICYKTSV-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000862295573 1137137620 /nfs/dbraw/zinc/13/76/20/1137137620.db2.gz NAIILGSIPHJLSZ-WDEREUQCSA-N -1 1 347.798 3.727 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000862529061 1137148037 /nfs/dbraw/zinc/14/80/37/1137148037.db2.gz HMYNDUXCFVRDKU-HZPDHXFCSA-N -1 1 339.439 3.536 20 0 EHADMM COC1CCC(Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CC1 ZINC000825011410 1137160252 /nfs/dbraw/zinc/16/02/52/1137160252.db2.gz JIXXJTKWJVDRKE-UHFFFAOYSA-N -1 1 344.377 3.543 20 0 EHADMM Cc1cc(O)cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000863429690 1137186096 /nfs/dbraw/zinc/18/60/96/1137186096.db2.gz UAEUCMXRPCEHFF-UHFFFAOYSA-N -1 1 347.436 3.730 20 0 EHADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCCc1ccc(CC(C)C)cc1 ZINC001143743923 1137195445 /nfs/dbraw/zinc/19/54/45/1137195445.db2.gz BSTJYWXYYCXCII-UHFFFAOYSA-N -1 1 349.471 3.597 20 0 EHADMM CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(F)c([O-])c1 ZINC001143768158 1137197034 /nfs/dbraw/zinc/19/70/34/1137197034.db2.gz AQMDCGNXZKWWDB-UHFFFAOYSA-N -1 1 349.383 3.899 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCCC[C@H]1C1CCC1 ZINC000844124406 1137199604 /nfs/dbraw/zinc/19/96/04/1137199604.db2.gz UKYIVIKRYUBSKY-AWEZNQCLSA-N -1 1 338.245 3.950 20 0 EHADMM COc1ccc([C@@H]2CCN(C(=O)c3c([O-])cccc3Cl)C2)cc1F ZINC000863694814 1137199974 /nfs/dbraw/zinc/19/99/74/1137199974.db2.gz UJBTUIBOFOQFSM-GFCCVEGCSA-N -1 1 349.789 3.823 20 0 EHADMM CCOC(=O)Cc1cccc(-c2nc(=O)c3c(C)sc(C)c3[n-]2)c1 ZINC000864355723 1137223566 /nfs/dbraw/zinc/22/35/66/1137223566.db2.gz PWWSSXXXIOMRSD-UHFFFAOYSA-N -1 1 342.420 3.786 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCc2ccc(F)cc21 ZINC001144292047 1137269626 /nfs/dbraw/zinc/26/96/26/1137269626.db2.gz ZSLGNIMPRURRNR-LLVKDONJSA-N -1 1 333.790 3.987 20 0 EHADMM [O-]c1cc(F)c(CN2CC[C@H](Oc3cc(F)ccc3F)C2)c(F)c1 ZINC001144554846 1137308760 /nfs/dbraw/zinc/30/87/60/1137308760.db2.gz JMZLFKVAMFLUFD-LBPRGKRZSA-N -1 1 341.304 3.602 20 0 EHADMM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1cc(CO)on1 ZINC000866038851 1137325730 /nfs/dbraw/zinc/32/57/30/1137325730.db2.gz GSFMBNCXDZAJHS-UHFFFAOYSA-N -1 1 326.805 3.573 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2cnc(Cl)c(F)c2)CC1 ZINC000846816705 1137369167 /nfs/dbraw/zinc/36/91/67/1137369167.db2.gz GXCPPZQOLUILTG-UHFFFAOYSA-N -1 1 348.805 3.675 20 0 EHADMM CC(=O)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001147854092 1137414026 /nfs/dbraw/zinc/41/40/26/1137414026.db2.gz ZWTPWCOADVDVTL-UHFFFAOYSA-N -1 1 338.285 3.622 20 0 EHADMM CC[C@H](C(=O)[N-]OCC1CCC1)c1ccc(Br)cc1 ZINC001148107531 1137418009 /nfs/dbraw/zinc/41/80/09/1137418009.db2.gz QRFCTPZLHZDAAY-AWEZNQCLSA-N -1 1 326.234 3.791 20 0 EHADMM COc1cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)ccn1 ZINC001148253074 1137420689 /nfs/dbraw/zinc/42/06/89/1137420689.db2.gz OZOQHNLPAGHFLF-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM CCn1ncc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1C ZINC001148252456 1137420752 /nfs/dbraw/zinc/42/07/52/1137420752.db2.gz JDBMLMPEMSXZRH-UHFFFAOYSA-N -1 1 329.787 3.976 20 0 EHADMM Cc1cc(O)cc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800863 1137435236 /nfs/dbraw/zinc/43/52/36/1137435236.db2.gz KHRZWFFTJSDXFR-UHFFFAOYSA-N -1 1 325.286 3.986 20 0 EHADMM CCCCc1noc([C@@H](C)OC(=O)Cc2ccc([O-])c(Cl)c2)n1 ZINC000869736961 1137464714 /nfs/dbraw/zinc/46/47/14/1137464714.db2.gz WSTDGMVPDBWXSL-SNVBAGLBSA-N -1 1 338.791 3.618 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC(Cc2nccs2)CC1 ZINC000870266208 1137484677 /nfs/dbraw/zinc/48/46/77/1137484677.db2.gz RKYWECIRVYLWJS-UHFFFAOYSA-N -1 1 336.844 3.597 20 0 EHADMM O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(F)c1[O-] ZINC001171632962 1137500135 /nfs/dbraw/zinc/50/01/35/1137500135.db2.gz YZILDCWUDKVMFK-UHFFFAOYSA-N -1 1 330.142 3.856 20 0 EHADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ncoc1C1CC1 ZINC000339109865 1137507627 /nfs/dbraw/zinc/50/76/27/1137507627.db2.gz OVPZPINXAMCIRA-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM COc1ccc2c(c1)[C@@H](C(=O)[N-]OCCCC(F)(F)F)CCC2 ZINC000871216669 1137528041 /nfs/dbraw/zinc/52/80/41/1137528041.db2.gz BFWVLENZWPNVJB-ZDUSSCGKSA-N -1 1 331.334 3.505 20 0 EHADMM CC(C)(C)OCc1cc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)no1 ZINC000871269408 1137530903 /nfs/dbraw/zinc/53/09/03/1137530903.db2.gz SFMWCOIEYJZGHQ-UHFFFAOYSA-N -1 1 346.280 3.798 20 0 EHADMM Cc1ccc(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)cc1Cl ZINC001212652645 1137548356 /nfs/dbraw/zinc/54/83/56/1137548356.db2.gz AAUSYRLPHODPJX-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM C[C@H](CCc1ccc(O)cc1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872813120 1137584864 /nfs/dbraw/zinc/58/48/64/1137584864.db2.gz OZKKCZZKHRGDEB-GFCCVEGCSA-N -1 1 348.830 3.572 20 0 EHADMM CSCCCCCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872966154 1137587157 /nfs/dbraw/zinc/58/71/57/1137587157.db2.gz RTYMOIKGIGYUCR-UHFFFAOYSA-N -1 1 330.881 3.768 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nnc(-c3ccccc3)s2)co1 ZINC000874135406 1137610859 /nfs/dbraw/zinc/61/08/59/1137610859.db2.gz XTDMQGSYTVTIEZ-UHFFFAOYSA-N -1 1 328.397 3.743 20 0 EHADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000875522617 1137634598 /nfs/dbraw/zinc/63/45/98/1137634598.db2.gz YSVQGDPZCXSKPY-LLVKDONJSA-N -1 1 338.757 3.822 20 0 EHADMM CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876393171 1137650637 /nfs/dbraw/zinc/65/06/37/1137650637.db2.gz DLFKSJLLNAHSFY-STQMWFEESA-N -1 1 342.892 3.861 20 0 EHADMM CC1=C(c2ccco2)C[N@@H+](Cc2nnc(-c3ccccc3O)o2)CC1 ZINC000878566927 1137720660 /nfs/dbraw/zinc/72/06/60/1137720660.db2.gz UCUCEADTAKXPIF-UHFFFAOYSA-N -1 1 337.379 3.715 20 0 EHADMM CCc1cc(=O)[n-]c(SC[C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000882159201 1137822347 /nfs/dbraw/zinc/82/23/47/1137822347.db2.gz UFDUOLVZYKHTGC-GFCCVEGCSA-N -1 1 345.251 3.877 20 0 EHADMM Cc1nc(-c2ccc(NCC3(C)CC(F)(F)C3)nc2)[n-]c(=O)c1C ZINC000882776556 1137833974 /nfs/dbraw/zinc/83/39/74/1137833974.db2.gz DGGIDQLCGLJSLZ-UHFFFAOYSA-N -1 1 334.370 3.708 20 0 EHADMM CC[C@@H](C)[C@H](C)NC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000109093442 1137891115 /nfs/dbraw/zinc/89/11/15/1137891115.db2.gz PQQRYKYMIWXFJK-MNOVXSKESA-N -1 1 338.502 3.610 20 0 EHADMM CCSc1nnc([N-]C(=O)c2coc(-c3ccccc3)n2)s1 ZINC000348276858 1137892066 /nfs/dbraw/zinc/89/20/66/1137892066.db2.gz BGXKUFPKCCIZGT-UHFFFAOYSA-N -1 1 332.410 3.557 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC000800041285 1137895440 /nfs/dbraw/zinc/89/54/40/1137895440.db2.gz GZLXMESXIPJCHH-UHFFFAOYSA-N -1 1 347.223 3.588 20 0 EHADMM Cc1cc(Cl)nc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000800070923 1137896337 /nfs/dbraw/zinc/89/63/37/1137896337.db2.gz YERAZFQOPGDXNV-UHFFFAOYSA-N -1 1 326.783 3.832 20 0 EHADMM Cc1cnc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000332377296 1137942053 /nfs/dbraw/zinc/94/20/53/1137942053.db2.gz DZEHVWRQYCHRMU-UHFFFAOYSA-N -1 1 330.815 3.769 20 0 EHADMM O=S(=O)([N-][C@H](c1cccs1)C1CC1)c1ccc(C(F)F)o1 ZINC000884902246 1137977043 /nfs/dbraw/zinc/97/70/43/1137977043.db2.gz SRXHSCGMUMCFMG-LBPRGKRZSA-N -1 1 333.381 3.708 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CCc3cccnc32)c1 ZINC000886620128 1138102754 /nfs/dbraw/zinc/10/27/54/1138102754.db2.gz CIBKLOVYDMPHLM-OAHLLOKOSA-N -1 1 349.356 3.668 20 0 EHADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C)c1C ZINC000263836422 1138377286 /nfs/dbraw/zinc/37/72/86/1138377286.db2.gz GFVJTYVUPNORGA-UHFFFAOYSA-N -1 1 346.452 3.843 20 0 EHADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000337173694 1138485615 /nfs/dbraw/zinc/48/56/15/1138485615.db2.gz HIIZWHKQKLNJAC-UHFFFAOYSA-N -1 1 346.452 3.728 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cncs1 ZINC000338430291 1138910795 /nfs/dbraw/zinc/91/07/95/1138910795.db2.gz HBABFCJAHQEGKO-RXMQYKEDSA-N -1 1 343.282 3.551 20 0 EHADMM COc1ccc(-c2csc3[n-]c([C@@H]4CCCO4)nc(=O)c23)cc1 ZINC000178984574 1139728624 /nfs/dbraw/zinc/72/86/24/1139728624.db2.gz KVWVCLXMBSPKCE-ZDUSSCGKSA-N -1 1 328.393 3.512 20 0 EHADMM CCOc1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc(Cl)c1[O-] ZINC000186772501 1140220856 /nfs/dbraw/zinc/22/08/56/1140220856.db2.gz ZYSMCPVPWRDWSS-SNVBAGLBSA-N -1 1 349.818 3.864 20 0 EHADMM CCOc1cc(C(=O)NC(C)(C)c2nccs2)cc(Cl)c1[O-] ZINC000186815770 1140223006 /nfs/dbraw/zinc/22/30/06/1140223006.db2.gz SXJDWJDFUHFYRR-UHFFFAOYSA-N -1 1 340.832 3.566 20 0 EHADMM CCOc1cc(C(=O)N(CC)Cc2ccccn2)cc(Cl)c1[O-] ZINC000186856337 1140225559 /nfs/dbraw/zinc/22/55/59/1140225559.db2.gz ZMHZNRASOZODJH-UHFFFAOYSA-N -1 1 334.803 3.502 20 0 EHADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccccc1Cl ZINC000188150687 1140285511 /nfs/dbraw/zinc/28/55/11/1140285511.db2.gz BNUULZONPLQIQC-SECBINFHSA-N -1 1 349.843 3.832 20 0 EHADMM CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCC1 ZINC000267401302 1140787477 /nfs/dbraw/zinc/78/74/77/1140787477.db2.gz XNYYYRYNTUDCSK-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM CC(C)(C)c1cnc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)o1 ZINC000270398381 1141217128 /nfs/dbraw/zinc/21/71/28/1141217128.db2.gz JJQVCEIAZKUBHN-UHFFFAOYSA-N -1 1 344.308 3.659 20 0 EHADMM O=C(NCc1ccc(-c2cccnc2)cc1)c1c(F)ccc([O-])c1F ZINC000348637654 1141559470 /nfs/dbraw/zinc/55/94/70/1141559470.db2.gz AIUUDFPLVGENKW-UHFFFAOYSA-N -1 1 340.329 3.662 20 0 EHADMM CCSc1nnc([N-]C(=O)c2cc(C)oc2C(F)(F)F)s1 ZINC000348835079 1141592139 /nfs/dbraw/zinc/59/21/39/1141592139.db2.gz WOLCIUIPTMDKSC-UHFFFAOYSA-N -1 1 337.348 3.823 20 0 EHADMM Cc1csc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)n1 ZINC000349009330 1141622082 /nfs/dbraw/zinc/62/20/82/1141622082.db2.gz RHRRGBHEQCWCBQ-UHFFFAOYSA-N -1 1 340.177 3.669 20 0 EHADMM C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n[nH]1 ZINC000616438643 479907597 /nfs/dbraw/zinc/90/75/97/479907597.db2.gz MUMKBDFYAKLVEB-CBAPKCEASA-N -1 1 325.290 3.510 20 0 EHADMM Cc1cccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1C ZINC000737388732 599066455 /nfs/dbraw/zinc/06/64/55/599066455.db2.gz LLWXBJKYUPNANQ-NSHDSACASA-N -1 1 328.807 3.705 20 0 EHADMM Cc1cccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1C ZINC000737388732 599066458 /nfs/dbraw/zinc/06/64/58/599066458.db2.gz LLWXBJKYUPNANQ-NSHDSACASA-N -1 1 328.807 3.705 20 0 EHADMM CC(C)(C)[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735596171 599170152 /nfs/dbraw/zinc/17/01/52/599170152.db2.gz JUGXNIAYALEGDY-NSHDSACASA-N -1 1 334.855 3.568 20 0 EHADMM CC(C)(C)[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735596171 599170154 /nfs/dbraw/zinc/17/01/54/599170154.db2.gz JUGXNIAYALEGDY-NSHDSACASA-N -1 1 334.855 3.568 20 0 EHADMM CC(C)(C)Sc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000819949926 607315996 /nfs/dbraw/zinc/31/59/96/607315996.db2.gz CPCWXYUJHYUJNY-UHFFFAOYSA-N -1 1 329.429 3.962 20 0 EHADMM CC(C)(C)Sc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000819949926 607315997 /nfs/dbraw/zinc/31/59/97/607315997.db2.gz CPCWXYUJHYUJNY-UHFFFAOYSA-N -1 1 329.429 3.962 20 0 EHADMM O=C([O-])c1cccc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000821551674 597665061 /nfs/dbraw/zinc/66/50/61/597665061.db2.gz SKZZKAKARUKQQW-GOSISDBHSA-N -1 1 339.439 3.864 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(OC2CCCCC2)cc1 ZINC000823757689 599443488 /nfs/dbraw/zinc/44/34/88/599443488.db2.gz TZKULZDJMCAYAE-UHFFFAOYSA-N -1 1 339.399 3.783 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(OC2CCCCC2)cc1 ZINC000823757689 599443490 /nfs/dbraw/zinc/44/34/90/599443490.db2.gz TZKULZDJMCAYAE-UHFFFAOYSA-N -1 1 339.399 3.783 20 0 EHADMM Cc1ccc(C)c(OCCCN2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000392571869 600109977 /nfs/dbraw/zinc/10/99/77/600109977.db2.gz YLQDRSUQPMCPJE-UHFFFAOYSA-N -1 1 325.408 3.786 20 0 EHADMM O=C([O-])[C@@H]1CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000164500009 600131782 /nfs/dbraw/zinc/13/17/82/600131782.db2.gz MMUPHQBKJHAJNM-GFCCVEGCSA-N -1 1 336.844 3.760 20 0 EHADMM CCSc1ccc(Cl)cc1NC(=S)NCCCC(=O)[O-] ZINC000737230335 600149103 /nfs/dbraw/zinc/14/91/03/600149103.db2.gz VCYMLUKYSWYWOK-UHFFFAOYSA-N -1 1 332.878 3.603 20 0 EHADMM CC(C)(C)c1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2)[nH]1 ZINC000736306871 600378734 /nfs/dbraw/zinc/37/87/34/600378734.db2.gz LUYUEHQUYLOOPZ-JTQLQIEISA-N -1 1 325.821 3.674 20 0 EHADMM Cc1cc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000570169158 600440758 /nfs/dbraw/zinc/44/07/58/600440758.db2.gz VBFVMQOUAVNGPE-AWEZNQCLSA-N -1 1 345.370 3.520 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)[nH]n2)o1 ZINC000177919196 600486412 /nfs/dbraw/zinc/48/64/12/600486412.db2.gz OFZDQJQAZKLRMT-UHFFFAOYSA-N -1 1 345.742 3.582 20 0 EHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC000832934466 600739929 /nfs/dbraw/zinc/73/99/29/600739929.db2.gz RHCSFYNZAOEECF-AWEZNQCLSA-N -1 1 325.195 3.612 20 0 EHADMM CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000164654387 600842832 /nfs/dbraw/zinc/84/28/32/600842832.db2.gz SBGRKDKFTXTLOX-HNNXBMFYSA-N -1 1 330.453 3.669 20 0 EHADMM CN(C)c1cccc(CN(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000830643855 600861362 /nfs/dbraw/zinc/86/13/62/600861362.db2.gz ODDWIEIUAPGLET-UHFFFAOYSA-N -1 1 348.393 3.508 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(Cl)nc1)c1ccccc1C(F)(F)F ZINC000833167120 600999234 /nfs/dbraw/zinc/99/92/34/600999234.db2.gz XYQZRBYTSFUXOW-ZDUSSCGKSA-N -1 1 344.720 3.669 20 0 EHADMM CC(C)(C)n1ncc2c1CCC[C@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC000736310284 601100916 /nfs/dbraw/zinc/10/09/16/601100916.db2.gz LZCZMSPUIKIBPZ-NVXWUHKLSA-N -1 1 345.418 3.570 20 0 EHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c(OCC2CC2)c1 ZINC000832934422 601494598 /nfs/dbraw/zinc/49/45/98/601494598.db2.gz QMVSQKYOELDMIN-LJQANCHMSA-N -1 1 343.398 3.838 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(Br)cc2F)cc1 ZINC000426705810 601581493 /nfs/dbraw/zinc/58/14/93/601581493.db2.gz XWHKKALSVRLGRF-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM O=C([O-])c1ccc(CSc2nc(-c3ccccc3F)n[nH]2)cc1F ZINC000833317142 601670578 /nfs/dbraw/zinc/67/05/78/601670578.db2.gz MAXRYHRCUQQLRG-UHFFFAOYSA-N -1 1 347.346 3.740 20 0 EHADMM COc1ccc([C@@H](NCc2c[nH]c(C(=O)[O-])c2)c2ccccc2)cc1 ZINC000832252426 601831629 /nfs/dbraw/zinc/83/16/29/601831629.db2.gz NGCOGMUFSOGPOO-IBGZPJMESA-N -1 1 336.391 3.601 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000571410220 601841418 /nfs/dbraw/zinc/84/14/18/601841418.db2.gz HFHYIKGTUILJCH-UHFFFAOYSA-N -1 1 332.375 3.558 20 0 EHADMM c1ccc(-c2ccc(NCc3ccnc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000826519356 607548659 /nfs/dbraw/zinc/54/86/59/607548659.db2.gz VOGCNDNFEYMQJW-UHFFFAOYSA-N -1 1 328.379 3.541 20 0 EHADMM c1ccc(-c2ccc(NCc3ccnc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000826519356 607548660 /nfs/dbraw/zinc/54/86/60/607548660.db2.gz VOGCNDNFEYMQJW-UHFFFAOYSA-N -1 1 328.379 3.541 20 0 EHADMM C[C@@H](NC(=O)[O-])C1CCN(Cc2cc3ccccc3nc2Cl)CC1 ZINC000739016116 602447246 /nfs/dbraw/zinc/44/72/46/602447246.db2.gz RPFXLTYHDOTYNB-GFCCVEGCSA-N -1 1 347.846 3.756 20 0 EHADMM Cc1oc(-c2ccsc2)nc1CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740274531 602449536 /nfs/dbraw/zinc/44/95/36/602449536.db2.gz NZOQDDQUQJQFSM-LLVKDONJSA-N -1 1 349.456 3.580 20 0 EHADMM O=C([O-])Nc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC000740700355 603291352 /nfs/dbraw/zinc/29/13/52/603291352.db2.gz IKNHXQZENYSVMZ-UHFFFAOYSA-N -1 1 330.731 3.559 20 0 EHADMM Cc1cccc2nc(CN(CCCC(=O)[O-])Cc3ccccc3)cn21 ZINC000566368189 604784402 /nfs/dbraw/zinc/78/44/02/604784402.db2.gz UHVOKWPPYMBANW-UHFFFAOYSA-N -1 1 337.423 3.510 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000833414952 605180988 /nfs/dbraw/zinc/18/09/88/605180988.db2.gz PWXCYKLBERMCIH-IBGZPJMESA-N -1 1 349.434 3.814 20 0 EHADMM O=C([O-])C1CCC(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC1 ZINC000194406783 605222980 /nfs/dbraw/zinc/22/29/80/605222980.db2.gz VVOJJZKZFKVKKV-UHFFFAOYSA-N -1 1 341.411 3.660 20 0 EHADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@H]2c2nc3ccccc3o2)O1 ZINC000833585441 605370758 /nfs/dbraw/zinc/37/07/58/605370758.db2.gz SHOJFMDLNCGPFJ-CJNGLKHVSA-N -1 1 342.395 3.502 20 0 EHADMM C[C@H](C[C@@H]1CCCN1C(=O)[O-])N[C@@H](c1nccs1)c1ccccc1 ZINC000824768868 605494334 /nfs/dbraw/zinc/49/43/34/605494334.db2.gz QONLCQQXPXJYAA-VNQPRFMTSA-N -1 1 345.468 3.743 20 0 EHADMM CCc1nc2c(s1)[C@H](N(C)Cc1ccc(NC(=O)[O-])nc1)CCC2 ZINC000833865497 605618601 /nfs/dbraw/zinc/61/86/01/605618601.db2.gz DDSXMPKOTOOBGB-CYBMUJFWSA-N -1 1 346.456 3.700 20 0 EHADMM Cc1ccccc1[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822351855 606458621 /nfs/dbraw/zinc/45/86/21/606458621.db2.gz RPKCNZDYJCSBSO-AWEZNQCLSA-N -1 1 340.818 3.565 20 0 EHADMM Cc1ccccc1[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822351855 606458623 /nfs/dbraw/zinc/45/86/23/606458623.db2.gz RPKCNZDYJCSBSO-AWEZNQCLSA-N -1 1 340.818 3.565 20 0 EHADMM C/C=C/c1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c(OC)c1 ZINC000825029458 608170418 /nfs/dbraw/zinc/17/04/18/608170418.db2.gz SUPVWLXTNVKVCB-ONEGZZNKSA-N -1 1 349.803 3.811 20 0 EHADMM CC(C)N(C)c1cccc(Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000824288770 608183858 /nfs/dbraw/zinc/18/38/58/608183858.db2.gz NRHBJIODPZABKC-UHFFFAOYSA-N -1 1 349.851 3.565 20 0 EHADMM CC(C)N(C)c1cccc(Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000824288770 608183859 /nfs/dbraw/zinc/18/38/59/608183859.db2.gz NRHBJIODPZABKC-UHFFFAOYSA-N -1 1 349.851 3.565 20 0 EHADMM C[C@@H]1CCc2ccccc2[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824966590 608193735 /nfs/dbraw/zinc/19/37/35/608193735.db2.gz CBMXLSHDTNAQRA-PELKAZGASA-N -1 1 346.847 3.712 20 0 EHADMM C[C@@H]1CCc2ccccc2[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824966590 608193736 /nfs/dbraw/zinc/19/37/36/608193736.db2.gz CBMXLSHDTNAQRA-PELKAZGASA-N -1 1 346.847 3.712 20 0 EHADMM Cc1cc2sc(NCc3ccc(-c4nn[n-]n4)s3)nc2c(C)c1 ZINC000826263412 609264706 /nfs/dbraw/zinc/26/47/06/609264706.db2.gz ADHYCHMETNOZLT-UHFFFAOYSA-N -1 1 342.453 3.767 20 0 EHADMM CN1CCN(Cc2cccc(C(=O)[O-])c2Cl)[C@H](c2ccccc2)C1 ZINC000381525252 971763218 /nfs/dbraw/zinc/76/32/18/971763218.db2.gz NUVILOCAQMTTHB-KRWDZBQOSA-N -1 1 344.842 3.527 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)cc(Br)c2)C1 ZINC001589281581 953519462 /nfs/dbraw/zinc/51/94/62/953519462.db2.gz VXIYQERAYOSKFR-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM COc1cc2c(cc1OC)[C@H](C)N(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC001594069485 958169486 /nfs/dbraw/zinc/16/94/86/958169486.db2.gz INJDTZVAJHRRNY-ZDUSSCGKSA-N -1 1 341.407 3.521 20 0 EHADMM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(Br)cc1Cl ZINC000133689316 958817825 /nfs/dbraw/zinc/81/78/25/958817825.db2.gz KLSSDXWAOGWSHB-ZDUSSCGKSA-N -1 1 346.652 3.932 20 0 EHADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000238026390 961080390 /nfs/dbraw/zinc/08/03/90/961080390.db2.gz YOMXNGYUZJVWKU-UHFFFAOYSA-N -1 1 347.330 3.773 20 0 EHADMM O=C([O-])c1ccccc1CCN1CCC(C(=O)c2cccs2)CC1 ZINC001326496817 961099733 /nfs/dbraw/zinc/09/97/33/961099733.db2.gz GTABJGGVHZXRBE-UHFFFAOYSA-N -1 1 343.448 3.584 20 0 EHADMM O=C([O-])[C@@H]1CN(Cc2cnc(-c3ccccc3)o2)Cc2ccccc21 ZINC001574661113 962487901 /nfs/dbraw/zinc/48/79/01/962487901.db2.gz FNRZPSJETDJBLL-GOSISDBHSA-N -1 1 334.375 3.526 20 0 EHADMM C[C@H]1CN(Cc2ccc(Cl)c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000302485781 963090605 /nfs/dbraw/zinc/09/06/05/963090605.db2.gz IDDAYFBXBDAAJA-GXSJLCMTSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cscc2Br)C1 ZINC000310741246 963430951 /nfs/dbraw/zinc/43/09/51/963430951.db2.gz HFXOHCYKSRUTKA-JTQLQIEISA-N -1 1 332.263 3.587 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000263061045 967841855 /nfs/dbraw/zinc/84/18/55/967841855.db2.gz MSKHCZWPOXPARC-KOLCDFICSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000584172167 968481400 /nfs/dbraw/zinc/48/14/00/968481400.db2.gz AYUXTVDSCWAOPE-GRYCIOLGSA-N -1 1 337.370 3.535 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(-c2ccccc2Cl)on1 ZINC001603390989 973006678 /nfs/dbraw/zinc/00/66/78/973006678.db2.gz FMKLNDOPLYWYTP-NEPJUHHUSA-N -1 1 334.803 3.680 20 0 EHADMM COc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c(Cl)c1 ZINC000426756293 974045894 /nfs/dbraw/zinc/04/58/94/974045894.db2.gz JDPLRJYEEYETLU-KRWDZBQOSA-N -1 1 333.815 3.881 20 0 EHADMM CCCC[C@@H](C(=O)[O-])N1CCc2ccc(F)c(Br)c2C1 ZINC000527618773 974352594 /nfs/dbraw/zinc/35/25/94/974352594.db2.gz ZIKHQOYKCUXQGI-ZDUSSCGKSA-N -1 1 344.224 3.590 20 0 EHADMM COCCC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000530164045 974359001 /nfs/dbraw/zinc/35/90/01/974359001.db2.gz MUHLTWUORJSKJY-OAHLLOKOSA-N -1 1 346.254 3.868 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000530165303 974360603 /nfs/dbraw/zinc/36/06/03/974360603.db2.gz WQZSUNABZKNFIT-LBPRGKRZSA-N -1 1 333.359 3.721 20 0 EHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1csc(Cc2ccccc2)n1 ZINC000530175200 974364060 /nfs/dbraw/zinc/36/40/60/974364060.db2.gz OJNMTCUSIDEVII-KBPBESRZSA-N -1 1 344.480 3.808 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000566860436 974623646 /nfs/dbraw/zinc/62/36/46/974623646.db2.gz LVUZMZNGHRQQJT-UHFFFAOYSA-N -1 1 325.311 3.520 20 0 EHADMM CC(C)[C@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000568296946 974668127 /nfs/dbraw/zinc/66/81/27/974668127.db2.gz ZMUOTOGHNHCCHS-HUUCEWRRSA-N -1 1 346.254 3.866 20 0 EHADMM CCN(Cc1ccc2c(c1)OCO2)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000573809404 974771616 /nfs/dbraw/zinc/77/16/16/974771616.db2.gz ZHHNWSKGKWCNOU-GFCCVEGCSA-N -1 1 331.368 3.598 20 0 EHADMM CC(C)C[C@H](C(=O)[O-])N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000575130819 974795554 /nfs/dbraw/zinc/79/55/54/974795554.db2.gz IEHTVEHCCLANGA-CABCVRRESA-N -1 1 346.254 3.866 20 0 EHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])c(F)c2)CC[C@@H]1C(F)(F)F ZINC000575816144 974802241 /nfs/dbraw/zinc/80/22/41/974802241.db2.gz XYEUVDIVZSYDGA-ZDUSSCGKSA-N -1 1 333.325 3.934 20 0 EHADMM Cc1oc(CN(C)Cc2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000583940273 974948345 /nfs/dbraw/zinc/94/83/45/974948345.db2.gz XROSLZNCUSONQV-UHFFFAOYSA-N -1 1 327.302 3.937 20 0 EHADMM C[C@@H](c1ccccc1F)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629367911 975085407 /nfs/dbraw/zinc/08/54/07/975085407.db2.gz SRSYDURBKPKFGM-NSHDSACASA-N -1 1 334.416 3.921 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(CCc2ccccc2)n1 ZINC000579717700 1014251556 /nfs/dbraw/zinc/25/15/56/1014251556.db2.gz HIRDLJPLSGSKKG-GDBMZVCRSA-N -1 1 344.480 3.613 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000652495027 975556136 /nfs/dbraw/zinc/55/61/36/975556136.db2.gz IVEQZHXEJMFTLJ-AWEZNQCLSA-N -1 1 330.453 3.887 20 0 EHADMM CC(C)c1[nH]c(CN[C@H](C)c2cc(F)ccc2N(C)C)cc1C(=O)[O-] ZINC001591916119 976363713 /nfs/dbraw/zinc/36/37/13/976363713.db2.gz IXXLDYBPHAHIOS-GFCCVEGCSA-N -1 1 347.434 3.892 20 0 EHADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)c1ccc2c(c1)CCCC2 ZINC000063543341 1014371477 /nfs/dbraw/zinc/37/14/77/1014371477.db2.gz HWMYIAOWYKTONG-UHFFFAOYSA-N -1 1 346.329 3.589 20 0 EHADMM C[C@@](CC(=O)[O-])(NCc1ccc(Cl)cc1Cl)c1ccncc1 ZINC001592329321 977756423 /nfs/dbraw/zinc/75/64/23/977756423.db2.gz VICJUDAOKXXQAA-INIZCTEOSA-N -1 1 339.222 3.868 20 0 EHADMM C[C@@H](CN(Cc1ccccc1)Cc1cccc(O)c1Cl)C(=O)[O-] ZINC001592605155 978549982 /nfs/dbraw/zinc/54/99/82/978549982.db2.gz VEMSRRJVKOVXRY-ZDUSSCGKSA-N -1 1 333.815 3.769 20 0 EHADMM C[C@@H](C[N@H+](Cc1ccccc1)Cc1cccc([O-])c1Cl)C(=O)[O-] ZINC001592605155 978549986 /nfs/dbraw/zinc/54/99/86/978549986.db2.gz VEMSRRJVKOVXRY-ZDUSSCGKSA-N -1 1 333.815 3.769 20 0 EHADMM C[C@@H](C[N@@H+](Cc1ccccc1)Cc1cccc([O-])c1Cl)C(=O)[O-] ZINC001592605155 978549987 /nfs/dbraw/zinc/54/99/87/978549987.db2.gz VEMSRRJVKOVXRY-ZDUSSCGKSA-N -1 1 333.815 3.769 20 0 EHADMM CCCCOc1ccc(CN=c2[n-]ncn2Cc2ccccc2)cc1 ZINC000547636622 1014571192 /nfs/dbraw/zinc/57/11/92/1014571192.db2.gz LPZOSNINUYUDFV-UHFFFAOYSA-N -1 1 336.439 3.539 20 0 EHADMM CCN(Cc1ccoc1)Cc1cc(Br)ccc1C(=O)[O-] ZINC000846243510 979420099 /nfs/dbraw/zinc/42/00/99/979420099.db2.gz 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CCc1ccc(-c2csc(NC(=O)c3cncc([O-])c3)n2)cc1 ZINC000339938435 1015996464 /nfs/dbraw/zinc/99/64/64/1015996464.db2.gz XSKPNQQZOLCSOM-UHFFFAOYSA-N -1 1 325.393 3.725 20 0 EHADMM COc1ccc(OC)c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000261438484 1016025995 /nfs/dbraw/zinc/02/59/95/1016025995.db2.gz YWSCEIIVJNKFBI-UHFFFAOYSA-N -1 1 346.330 3.511 20 0 EHADMM CC1(C)CN(Cc2c3ccccc3[nH]c2C(=O)[O-])[C@H]1c1ccncc1 ZINC001593942835 996973466 /nfs/dbraw/zinc/97/34/66/996973466.db2.gz QMYSZBHTTNASQZ-SFHVURJKSA-N -1 1 335.407 3.844 20 0 EHADMM COc1cc([C@@H](C)NCc2ccc(C(=O)[O-])o2)cc2ccccc21 ZINC001599388708 996992313 /nfs/dbraw/zinc/99/23/13/996992313.db2.gz GDYBDINBIMTSAH-GFCCVEGCSA-N -1 1 325.364 3.990 20 0 EHADMM COc1cc([C@H](C)NCc2cc(C(=O)[O-])co2)cc2ccccc21 ZINC001599389796 997013362 /nfs/dbraw/zinc/01/33/62/997013362.db2.gz SUZQOEZVCRQLNJ-LBPRGKRZSA-N -1 1 325.364 3.990 20 0 EHADMM COc1cc(C)c([C@@H](C)N[C@@H](C)c2ccc(C(=O)[O-])o2)cc1OC ZINC001599390773 997031886 /nfs/dbraw/zinc/03/18/86/997031886.db2.gz OEPNIQHZWXDTCW-NEPJUHHUSA-N -1 1 333.384 3.715 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC001599498985 997075622 /nfs/dbraw/zinc/07/56/22/997075622.db2.gz NCPJVXKDCDKVQX-XJKSGUPXSA-N -1 1 329.396 3.960 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(C/C=C\c1cccc(F)c1)CC2 ZINC001599502170 997143354 /nfs/dbraw/zinc/14/33/54/997143354.db2.gz UJYASIVNCOIIHZ-HYXAFXHYSA-N -1 1 341.382 3.604 20 0 EHADMM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1OC ZINC001599508998 997263750 /nfs/dbraw/zinc/26/37/50/997263750.db2.gz NJDUVGXBZPCWCR-SJKOYZFVSA-N -1 1 347.386 3.628 20 0 EHADMM COc1cc(CNCc2ccc(C(=O)[O-])cc2F)cc2ccccc21 ZINC001599415312 997496404 /nfs/dbraw/zinc/49/64/04/997496404.db2.gz OULYFGGVXAEOJO-UHFFFAOYSA-N -1 1 339.366 3.976 20 0 EHADMM COc1ccc(CNCc2cc(C(=O)[O-])ccc2Cl)cc1Cl ZINC001599573127 998397835 /nfs/dbraw/zinc/39/78/35/998397835.db2.gz PPZHTSBVTKEQPZ-UHFFFAOYSA-N -1 1 340.206 3.990 20 0 EHADMM C[C@H]1CCN(Cc2ccc(Cl)c(Br)c2)[C@H](C(=O)[O-])C1 ZINC001594424311 999587507 /nfs/dbraw/zinc/58/75/07/999587507.db2.gz SFNLTFLCCTYEEA-ZANVPECISA-N -1 1 346.652 3.788 20 0 EHADMM Cc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1Cl ZINC000728671336 1016649881 /nfs/dbraw/zinc/64/98/81/1016649881.db2.gz GAOHQJHXHAIJLM-UHFFFAOYSA-N -1 1 344.750 3.817 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1c[nH]cc1-c1ccccc1 ZINC000340232921 1016740509 /nfs/dbraw/zinc/74/05/09/1016740509.db2.gz UQBHLHDRCRONRJ-UHFFFAOYSA-N -1 1 334.404 3.808 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS[C@@H]2CCCC[C@H]21 ZINC000180700873 1016903986 /nfs/dbraw/zinc/90/39/86/1016903986.db2.gz DSTZANQPDJYLIZ-TZMCWYRMSA-N -1 1 345.386 3.911 20 0 EHADMM COCc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182016647 1017041111 /nfs/dbraw/zinc/04/11/11/1017041111.db2.gz TVXLFTFAEWXWEF-UHFFFAOYSA-N -1 1 325.286 3.810 20 0 EHADMM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c(C)c1 ZINC000188133490 1017061608 /nfs/dbraw/zinc/06/16/08/1017061608.db2.gz WDMSBIZCHXDOIM-GFCCVEGCSA-N -1 1 343.452 3.796 20 0 EHADMM CC[C@H](c1nnc([N-]C(=O)c2ocnc2C)s1)c1ccccc1 ZINC000081688188 1032345350 /nfs/dbraw/zinc/34/53/50/1032345350.db2.gz ORHTXCNRFCWDNG-LBPRGKRZSA-N -1 1 328.397 3.629 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(C)CCCCCC1 ZINC000538499459 1032399778 /nfs/dbraw/zinc/39/97/78/1032399778.db2.gz SFGNIPWTOFAOOP-UHFFFAOYSA-N -1 1 333.476 3.878 20 0 EHADMM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000395765884 1032415003 /nfs/dbraw/zinc/41/50/03/1032415003.db2.gz PGRBKERDOUEGRN-ZDUSSCGKSA-N -1 1 326.234 3.805 20 0 EHADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)cc3F)c2n1 ZINC000084919996 1032467768 /nfs/dbraw/zinc/46/77/68/1032467768.db2.gz NKCMVIVMAPRIET-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM CCOc1cc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)ccc1C ZINC000085582405 1032465084 /nfs/dbraw/zinc/46/50/84/1032465084.db2.gz KVCMQHCLRMCAIZ-UHFFFAOYSA-N -1 1 349.460 3.550 20 0 EHADMM CCSc1cccc(Br)c1[N-]C(=O)c1cocn1 ZINC000643839152 1032512392 /nfs/dbraw/zinc/51/23/92/1032512392.db2.gz FHLFOOGWGRVPDU-UHFFFAOYSA-N -1 1 327.203 3.801 20 0 EHADMM O=c1[nH]c(Cc2cccc(Br)c2[O-])nc2ccc(F)cc12 ZINC000669623446 1032608934 /nfs/dbraw/zinc/60/89/34/1032608934.db2.gz PUDVQJOQMMAINQ-UHFFFAOYSA-N -1 1 349.159 3.533 20 0 EHADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000091015197 1032615667 /nfs/dbraw/zinc/61/56/67/1032615667.db2.gz UFUWRRUFKIZDJO-UHFFFAOYSA-N -1 1 331.846 3.828 20 0 EHADMM Cc1noc(C2CC2)c1NC(=O)c1cc(Br)ccc1[O-] ZINC000182830460 1017189977 /nfs/dbraw/zinc/18/99/77/1017189977.db2.gz NVDJJQMKCFIIAM-UHFFFAOYSA-N -1 1 337.173 3.581 20 0 EHADMM Cc1nc(-c2ccc(N3CCC[C@H]3C3CCCC3)nc2)[n-]c(=O)c1C ZINC000091455891 1032697742 /nfs/dbraw/zinc/69/77/42/1032697742.db2.gz AEVOOVWSPQKKDS-KRWDZBQOSA-N -1 1 338.455 3.608 20 0 EHADMM CC[C@@H](C)n1ncc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1C ZINC000897552124 1032745089 /nfs/dbraw/zinc/74/50/89/1032745089.db2.gz MDBYYRAZYINNNB-LLVKDONJSA-N -1 1 339.395 3.979 20 0 EHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)[nH]n1 ZINC000471499278 1018326982 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O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1c[nH]nc1C1CC1 ZINC000580582396 1019683984 /nfs/dbraw/zinc/68/39/84/1019683984.db2.gz QTDWJVUQPTVDJN-UHFFFAOYSA-N -1 1 346.239 3.536 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)[nH]nc1C1CC1 ZINC000760321645 1032853865 /nfs/dbraw/zinc/85/38/65/1032853865.db2.gz HFFVLSPCDQTTIP-UHFFFAOYSA-N -1 1 333.457 3.595 20 0 EHADMM CC[C@@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580779061 1020005112 /nfs/dbraw/zinc/00/51/12/1020005112.db2.gz VYPNTYAPMRDIPX-ZFWWWQNUSA-N -1 1 344.224 3.836 20 0 EHADMM CC[C@@]1(C)CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580779061 1020005125 /nfs/dbraw/zinc/00/51/25/1020005125.db2.gz VYPNTYAPMRDIPX-ZFWWWQNUSA-N -1 1 344.224 3.836 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccccc1C(F)(F)F ZINC000060141107 1020117630 /nfs/dbraw/zinc/11/76/30/1020117630.db2.gz YCKKIKFRJZSKSA-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1Cc2cccnc2C1 ZINC001167444389 1020390374 /nfs/dbraw/zinc/39/03/74/1020390374.db2.gz BZFZEVKNDMJFNX-GFCCVEGCSA-N -1 1 338.794 3.947 20 0 EHADMM CC1(C)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CCS1 ZINC000897600964 1032909656 /nfs/dbraw/zinc/90/96/56/1032909656.db2.gz YMMXAKQLOTZMIW-UHFFFAOYSA-N -1 1 331.437 3.609 20 0 EHADMM COc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])cc(OC)c1OC ZINC000048370948 1020704209 /nfs/dbraw/zinc/70/42/09/1020704209.db2.gz DHYZETCEQIAGHU-UHFFFAOYSA-N -1 1 345.395 3.794 20 0 EHADMM O=C(Nc1ccccc1OCc1cscn1)c1cc(F)ccc1[O-] ZINC000094080497 1032948110 /nfs/dbraw/zinc/94/81/10/1032948110.db2.gz RCYCLQTWDAOAKD-UHFFFAOYSA-N -1 1 344.367 3.819 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)ccc1Cl ZINC000656643419 1021076277 /nfs/dbraw/zinc/07/62/77/1021076277.db2.gz GAHOGEROYWIAPF-UHFFFAOYSA-N -1 1 337.828 3.522 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2noc3c2CCCCC3)s1 ZINC000129412132 1021078348 /nfs/dbraw/zinc/07/83/48/1021078348.db2.gz UTYYFHKEBAGXKO-UHFFFAOYSA-N -1 1 334.445 3.951 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1CCSc2ccccc21 ZINC000439118615 1021163881 /nfs/dbraw/zinc/16/38/81/1021163881.db2.gz MEYAQTWURCQPBF-LBPRGKRZSA-N -1 1 341.461 3.778 20 0 EHADMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000436764525 1021214284 /nfs/dbraw/zinc/21/42/84/1021214284.db2.gz RQKXWKUDXOBZBL-RISCZKNCSA-N -1 1 345.361 3.735 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(OC(C)C)c2)c1 ZINC000436818242 1021243524 /nfs/dbraw/zinc/24/35/24/1021243524.db2.gz JXDKYBQTUXKAOC-UHFFFAOYSA-N -1 1 342.395 3.699 20 0 EHADMM Cc1cccc2[nH]cc(CCNC(=O)c3ccc(Cl)cc3[O-])c21 ZINC000436816726 1021244750 /nfs/dbraw/zinc/24/47/50/1021244750.db2.gz FSFSAVVQOISWGP-UHFFFAOYSA-N -1 1 328.799 3.808 20 0 EHADMM O=C(Nc1cc(-c2ccccc2)ns1)c1csc(=NC2CC2)[n-]1 ZINC000426325560 1021252417 /nfs/dbraw/zinc/25/24/17/1021252417.db2.gz VKOVXYMPWHSGJO-UHFFFAOYSA-N -1 1 342.449 3.515 20 0 EHADMM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccccc1[O-] ZINC000436835140 1021267720 /nfs/dbraw/zinc/26/77/20/1021267720.db2.gz CGXKVPYAKNLSOR-UHFFFAOYSA-N -1 1 331.331 3.848 20 0 EHADMM CN(C)c1ccccc1CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000436848706 1021293266 /nfs/dbraw/zinc/29/32/66/1021293266.db2.gz PNCBYSGGLLXDPF-UHFFFAOYSA-N -1 1 334.419 3.884 20 0 EHADMM CCC(CC)n1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)n1 ZINC000656768072 1021304245 /nfs/dbraw/zinc/30/42/45/1021304245.db2.gz UNWAIVUYCRZGIZ-SQNIBIBYSA-N -1 1 333.476 3.710 20 0 EHADMM [O-]c1ccc(-c2nc(-c3cc(OC(F)F)ccc3F)no2)c(F)c1 ZINC000436865400 1021306741 /nfs/dbraw/zinc/30/67/41/1021306741.db2.gz SWNBQFMFTMPLCH-UHFFFAOYSA-N -1 1 340.232 3.989 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc(-c4cc[nH]n4)s3)n2)cc1F ZINC000436870869 1021311863 /nfs/dbraw/zinc/31/18/63/1021311863.db2.gz GNSANUQHDCTVAD-UHFFFAOYSA-N -1 1 328.328 3.700 20 0 EHADMM CCOCCOc1ccccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436876924 1021323566 /nfs/dbraw/zinc/32/35/66/1021323566.db2.gz CMSGNXAUDMTFHF-UHFFFAOYSA-N -1 1 344.342 3.664 20 0 EHADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000436893070 1021345126 /nfs/dbraw/zinc/34/51/26/1021345126.db2.gz MJPRDQWKWLZJJO-BBRMVZONSA-N -1 1 325.836 3.759 20 0 EHADMM O=C(CC1=CCCCC1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436912393 1021358212 /nfs/dbraw/zinc/35/82/12/1021358212.db2.gz CQKKXBCKUPGXEH-UHFFFAOYSA-N -1 1 332.791 3.660 20 0 EHADMM O=C(CC1=CCCCC1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436912393 1021358228 /nfs/dbraw/zinc/35/82/28/1021358228.db2.gz CQKKXBCKUPGXEH-UHFFFAOYSA-N -1 1 332.791 3.660 20 0 EHADMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000436896076 1021358480 /nfs/dbraw/zinc/35/84/80/1021358480.db2.gz RMAIKBPEJGKEQR-CJNGLKHVSA-N -1 1 325.836 3.759 20 0 EHADMM Cc1cncnc1-c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436931195 1021366147 /nfs/dbraw/zinc/36/61/47/1021366147.db2.gz JSKRWWBVVGHTKG-UHFFFAOYSA-N -1 1 346.346 4.000 20 0 EHADMM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1c([O-])cccc1F ZINC000436930764 1021368974 /nfs/dbraw/zinc/36/89/74/1021368974.db2.gz IIZHDCAGETYVHK-LBPRGKRZSA-N -1 1 341.304 3.682 20 0 EHADMM CCCOc1cccc(-c2noc(-c3ccc(OC)cc3[O-])n2)c1 ZINC000436917118 1021374413 /nfs/dbraw/zinc/37/44/13/1021374413.db2.gz YUDAGVHUPQGBLC-UHFFFAOYSA-N -1 1 326.352 3.907 20 0 EHADMM COc1ccc(-c2nc([C@@H](C)c3c(F)cccc3F)no2)c([O-])c1 ZINC000436935042 1021396124 /nfs/dbraw/zinc/39/61/24/1021396124.db2.gz ZJABBRKVATXXRM-VIFPVBQESA-N -1 1 332.306 3.881 20 0 EHADMM O=C(Nc1cccc(CCC(F)(F)F)c1)C(=O)c1ccc([O-])cc1 ZINC000436943552 1021405217 /nfs/dbraw/zinc/40/52/17/1021405217.db2.gz MJEFSNHQMPYIII-UHFFFAOYSA-N -1 1 337.297 3.709 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc2ccccc2n1C(F)F ZINC000436946953 1021407361 /nfs/dbraw/zinc/40/73/61/1021407361.db2.gz CSKFLXRIWCCENQ-SECBINFHSA-N -1 1 349.312 3.767 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H](C)c3ccccc3C)no2)c1 ZINC000436961735 1021409917 /nfs/dbraw/zinc/40/99/17/1021409917.db2.gz KJONAJLRTRWMHV-GFCCVEGCSA-N -1 1 337.379 3.861 20 0 EHADMM COC(=O)c1ccc(Cl)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436954885 1021418223 /nfs/dbraw/zinc/41/82/23/1021418223.db2.gz INJLONCTURBFGP-UHFFFAOYSA-N -1 1 348.717 3.688 20 0 EHADMM CCC(CC)(OC)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000436953084 1021419679 /nfs/dbraw/zinc/41/96/79/1021419679.db2.gz LJSGICODJYBPTD-UHFFFAOYSA-N -1 1 326.780 3.766 20 0 EHADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436980525 1021436587 /nfs/dbraw/zinc/43/65/87/1021436587.db2.gz NMEJNDISSLYNSD-QMMMGPOBSA-N -1 1 329.240 3.872 20 0 EHADMM COc1cccc(C[C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436969778 1021442127 /nfs/dbraw/zinc/44/21/27/1021442127.db2.gz AAODMPVXDTVBAR-CQSZACIVSA-N -1 1 335.403 3.915 20 0 EHADMM COc1ccccc1C1(CNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436990346 1021444020 /nfs/dbraw/zinc/44/40/20/1021444020.db2.gz PCAGFYPSAHZUTO-UHFFFAOYSA-N -1 1 331.799 3.516 20 0 EHADMM Cc1cc2n[nH]cc2cc1NC(=O)c1cc(Br)ccc1[O-] ZINC000437004538 1021463196 /nfs/dbraw/zinc/46/31/96/1021463196.db2.gz 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CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)[nH]n1 ZINC000439003264 1023201768 /nfs/dbraw/zinc/20/17/68/1023201768.db2.gz HMJWXBKVGJTSDC-UHFFFAOYSA-N -1 1 327.475 3.693 20 0 EHADMM CCSc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccn1 ZINC000507350372 1023261200 /nfs/dbraw/zinc/26/12/00/1023261200.db2.gz UFXQUIBBJWCEGD-UHFFFAOYSA-N -1 1 340.408 3.542 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC000016130704 1023361418 /nfs/dbraw/zinc/36/14/18/1023361418.db2.gz JXZHCWBHYJTBFP-UHFFFAOYSA-N -1 1 329.421 3.569 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1Cl ZINC000431165601 1023367733 /nfs/dbraw/zinc/36/77/33/1023367733.db2.gz FUIZQPFWSQAQFK-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c1 ZINC000181074790 1023794375 /nfs/dbraw/zinc/79/43/75/1023794375.db2.gz SYNOWQMCPQFIFD-UHFFFAOYSA-N -1 1 344.480 3.767 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535895048 1023972896 /nfs/dbraw/zinc/97/28/96/1023972896.db2.gz 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CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)cc1C ZINC000515013571 1024971044 /nfs/dbraw/zinc/97/10/44/1024971044.db2.gz PYKWOTAFBCQWPH-UHFFFAOYSA-N -1 1 346.408 3.644 20 0 EHADMM Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000281450796 1025035922 /nfs/dbraw/zinc/03/59/22/1025035922.db2.gz ZVNCDHLRWIIMQQ-SFHVURJKSA-N -1 1 335.407 3.646 20 0 EHADMM CCc1nc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)co1 ZINC000346756560 1025091988 /nfs/dbraw/zinc/09/19/88/1025091988.db2.gz CURVZWVIFPRAEW-UHFFFAOYSA-N -1 1 346.437 3.730 20 0 EHADMM CC(C)(CC(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1 ZINC000520902165 1025121347 /nfs/dbraw/zinc/12/13/47/1025121347.db2.gz YCPLHMZWSBQNTC-UHFFFAOYSA-N -1 1 325.437 3.867 20 0 EHADMM COc1cnc([C@H]2CCCN2C/C=C/c2ccc(Cl)cc2)[n-]c1=O ZINC000934269926 1025184555 /nfs/dbraw/zinc/18/45/55/1025184555.db2.gz COUGZHHLNXIFRQ-TXTHVTMNSA-N -1 1 345.830 3.695 20 0 EHADMM CCSCc1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505731426 1025256449 /nfs/dbraw/zinc/25/64/49/1025256449.db2.gz 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COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)CCc2ccccc2F)c1 ZINC000436515779 1025813688 /nfs/dbraw/zinc/81/36/88/1025813688.db2.gz SXXVKTHQOOYQRK-GFCCVEGCSA-N -1 1 345.370 3.525 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1OC(F)F ZINC000436519179 1025818497 /nfs/dbraw/zinc/81/84/97/1025818497.db2.gz WABNOIVOVATOAX-SECBINFHSA-N -1 1 325.286 3.624 20 0 EHADMM CC(C)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CC1 ZINC000530439305 1025839572 /nfs/dbraw/zinc/83/95/72/1025839572.db2.gz DTJGBPSCMCEWIG-UHFFFAOYSA-N -1 1 326.220 3.599 20 0 EHADMM Cn1ccnc1Sc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436541117 1025872890 /nfs/dbraw/zinc/87/28/90/1025872890.db2.gz VZATVGUBOGOOFV-UHFFFAOYSA-N -1 1 343.383 3.668 20 0 EHADMM CC(C)c1ccc(C(=O)N2CCN(C)c3cc(F)ccc32)c([O-])c1 ZINC000436576877 1025878854 /nfs/dbraw/zinc/87/88/54/1025878854.db2.gz RQWVQTQIPQWNJU-UHFFFAOYSA-N -1 1 328.387 3.751 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000436563746 1025887922 /nfs/dbraw/zinc/88/79/22/1025887922.db2.gz 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CCOc1cc(-c2noc(/C=C/[C@H]3CCCO3)n2)cc(Cl)c1[O-] ZINC000643964308 1035207621 /nfs/dbraw/zinc/20/76/21/1035207621.db2.gz NJKKRHDAZLAHPC-MVIFTORASA-N -1 1 336.775 3.687 20 0 EHADMM CCO[C@H](c1noc(-c2ccc(OC)cc2[O-])n1)c1ccccc1 ZINC000392368779 1035500767 /nfs/dbraw/zinc/50/07/67/1035500767.db2.gz JIXLVOSOTCZIBP-INIZCTEOSA-N -1 1 326.352 3.577 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)c([O-])c1 ZINC000173219668 1035552401 /nfs/dbraw/zinc/55/24/01/1035552401.db2.gz BALLBEOVERQJLL-UHFFFAOYSA-N -1 1 336.347 3.840 20 0 EHADMM CN1Cc2cc(NC(=O)c3cc4ccccc4cc3[O-])ccc2NC1=O ZINC000185899837 1035559880 /nfs/dbraw/zinc/55/98/80/1035559880.db2.gz CPDHZXQOWIONFU-UHFFFAOYSA-N -1 1 347.374 3.775 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)sc2C)cc1F ZINC000187066994 1035748973 /nfs/dbraw/zinc/74/89/73/1035748973.db2.gz BELXKYJTUVPZCQ-UHFFFAOYSA-N -1 1 329.418 3.622 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1OCC(F)F ZINC000588633467 1035934667 /nfs/dbraw/zinc/93/46/67/1035934667.db2.gz 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1036427332 /nfs/dbraw/zinc/42/73/32/1036427332.db2.gz GSKXPFJMTUXCDF-CYBMUJFWSA-N -1 1 335.425 3.673 20 0 EHADMM COc1cc(C(=O)N(C)C2CCC(F)(F)CC2)cc(Cl)c1[O-] ZINC000493035981 1036568492 /nfs/dbraw/zinc/56/84/92/1036568492.db2.gz UYIRAQBENZMKRQ-UHFFFAOYSA-N -1 1 333.762 3.704 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cc(F)ccc1F ZINC000176727342 1036682376 /nfs/dbraw/zinc/68/23/76/1036682376.db2.gz VLYIUGZOXXLLSV-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000006316072 1036817896 /nfs/dbraw/zinc/81/78/96/1036817896.db2.gz SIKOEHJTRYVHCT-UHFFFAOYSA-N -1 1 332.425 3.569 20 0 EHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000178330883 1037023982 /nfs/dbraw/zinc/02/39/82/1037023982.db2.gz QHVUNIFXGNNEMH-UHFFFAOYSA-N -1 1 349.452 3.629 20 0 EHADMM CN(CC1(O)CCCCCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000186944781 1037123351 /nfs/dbraw/zinc/12/33/51/1037123351.db2.gz PHIRJMAPEKSZAW-UHFFFAOYSA-N -1 1 327.424 3.703 20 0 EHADMM O=C(NC1(c2ccccc2)CCOCC1)c1cc2ccccc2cc1[O-] ZINC000539844416 1037274821 /nfs/dbraw/zinc/27/48/21/1037274821.db2.gz RICFVZOTTWGILG-UHFFFAOYSA-N -1 1 347.414 3.981 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCc2c3ccccc3[nH]c2C1 ZINC000760874981 1037562831 /nfs/dbraw/zinc/56/28/31/1037562831.db2.gz JLJOBZSLTUONLI-UHFFFAOYSA-N -1 1 326.783 3.725 20 0 EHADMM Cc1ccccc1CN(C)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058204923 1037606221 /nfs/dbraw/zinc/60/62/21/1037606221.db2.gz XKSGHEJPGQIQBN-UHFFFAOYSA-N -1 1 344.509 3.991 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc(C)c1F ZINC000172886846 1037722727 /nfs/dbraw/zinc/72/27/27/1037722727.db2.gz LVMQRDCWIGBHOG-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc3ccccc3c2[O-])o1 ZINC000116704109 1037841807 /nfs/dbraw/zinc/84/18/07/1037841807.db2.gz JKGCHUFWWMYOKF-KRWDZBQOSA-N -1 1 337.375 3.661 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2n[nH]c3ccccc32)c1 ZINC000182910726 1037924232 /nfs/dbraw/zinc/92/42/32/1037924232.db2.gz XOULDRMCPBTLFD-UHFFFAOYSA-N -1 1 346.184 3.592 20 0 EHADMM CCOCCC1(CNC(=O)c2c([O-])cccc2Cl)CCCC1 ZINC000761591954 1038026928 /nfs/dbraw/zinc/02/69/28/1038026928.db2.gz QSGIAYJNXNDJGZ-UHFFFAOYSA-N -1 1 325.836 3.762 20 0 EHADMM CC[C@]1(C)Oc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2O1 ZINC000540570137 1038087433 /nfs/dbraw/zinc/08/74/33/1038087433.db2.gz ZBZFFYQEZABBEQ-QGZVFWFLSA-N -1 1 335.306 3.820 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(C2CCOCC2)CC1 ZINC000124273427 1038162873 /nfs/dbraw/zinc/16/28/73/1038162873.db2.gz YHNCXOZFDFDZQO-UHFFFAOYSA-N -1 1 339.435 3.824 20 0 EHADMM Cc1nc(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)[n-]c(=O)c1C ZINC000538515746 1038355349 /nfs/dbraw/zinc/35/53/49/1038355349.db2.gz NKVICLAIVNGDCS-QMMMGPOBSA-N -1 1 342.342 3.580 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(OC2CCC2)CC1 ZINC000416260193 1038443152 /nfs/dbraw/zinc/44/31/52/1038443152.db2.gz RSEJQLXGXGVTHF-UHFFFAOYSA-N -1 1 343.345 3.585 20 0 EHADMM CC1(C)CCc2nc(NC(=O)c3c(F)ccc([O-])c3F)sc2C1 ZINC000416362796 1038592454 /nfs/dbraw/zinc/59/24/54/1038592454.db2.gz XRIRUCLVQNAAGQ-UHFFFAOYSA-N -1 1 338.379 3.894 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(Cl)c2F)[n-]c1=O ZINC000432697745 1038806998 /nfs/dbraw/zinc/80/69/98/1038806998.db2.gz SZLSVRQIIFPGFD-CLFYSBASSA-N -1 1 336.750 3.712 20 0 EHADMM Cc1c(F)ccc(Cl)c1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000432702695 1038859901 /nfs/dbraw/zinc/85/99/01/1038859901.db2.gz INKLTWIEGTWLSY-UHFFFAOYSA-N -1 1 335.688 3.914 20 0 EHADMM C[C@H](CN1CCOc2c(cccc2C(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000905740509 1039076150 /nfs/dbraw/zinc/07/61/50/1039076150.db2.gz QWVMAVFYUFDQRL-GFCCVEGCSA-N -1 1 347.361 3.661 20 0 EHADMM CO[C@@H](C)C(=O)Nc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000339201199 1039213014 /nfs/dbraw/zinc/21/30/14/1039213014.db2.gz LITLJSRZEJNUEQ-NSHDSACASA-N -1 1 334.803 3.631 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000478739222 1039678714 /nfs/dbraw/zinc/67/87/14/1039678714.db2.gz KWMODVKZSUNJAI-HNNXBMFYSA-N -1 1 347.871 3.770 20 0 EHADMM COCCCC[C@@H](N=c1[n-]c(C(=O)OC)c(C)s1)c1ccccc1 ZINC000480587277 1039736109 /nfs/dbraw/zinc/73/61/09/1039736109.db2.gz XKFKUWITHNTOBV-OAHLLOKOSA-N -1 1 348.468 3.630 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000480732511 1039946602 /nfs/dbraw/zinc/94/66/02/1039946602.db2.gz SGUXBGMZTKTQKH-QMMMGPOBSA-N -1 1 334.160 3.837 20 0 EHADMM CCc1onc(C)c1C(=O)[N-]c1nc(-c2ccccc2Cl)ns1 ZINC000110382378 1040013428 /nfs/dbraw/zinc/01/34/28/1040013428.db2.gz FSELEUTXNROIEJ-UHFFFAOYSA-N -1 1 348.815 3.970 20 0 EHADMM Cc1cc2[nH]c(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)cc2c(C)c1 ZINC000417588998 1040040353 /nfs/dbraw/zinc/04/03/53/1040040353.db2.gz UVYDNWSVHGPWKR-DYVFJYSZSA-N -1 1 332.444 3.531 20 0 EHADMM CC1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000479232172 1040068442 /nfs/dbraw/zinc/06/84/42/1040068442.db2.gz NZJKSIDSDLYWJA-UHFFFAOYSA-N -1 1 328.648 3.725 20 0 EHADMM CCOC[C@H](NCc1c(Cl)cccc1Oc1ccccc1)C(=O)[O-] ZINC000417612304 1040081066 /nfs/dbraw/zinc/08/10/66/1040081066.db2.gz XLLGMPGCOQVUBU-INIZCTEOSA-N -1 1 349.814 3.712 20 0 EHADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1C(C)C)OCO2 ZINC000479262005 1040082665 /nfs/dbraw/zinc/08/26/65/1040082665.db2.gz WTAXEYMXIOLLCN-UHFFFAOYSA-N -1 1 333.409 3.648 20 0 EHADMM CCCn1c(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc2ccccc21 ZINC000417631832 1040091600 /nfs/dbraw/zinc/09/16/00/1040091600.db2.gz SDKOYGMEVCAWDC-AEFFLSMTSA-N -1 1 349.434 3.849 20 0 EHADMM CC(C)(C)c1ncc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000417650130 1040112144 /nfs/dbraw/zinc/11/21/44/1040112144.db2.gz UIPVJZDYFPEXAR-UHFFFAOYSA-N -1 1 340.395 3.707 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C)c1 ZINC000479484108 1040282407 /nfs/dbraw/zinc/28/24/07/1040282407.db2.gz PSVSDLGWOKSOPG-UHFFFAOYSA-N -1 1 348.449 3.804 20 0 EHADMM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000908145026 1040312383 /nfs/dbraw/zinc/31/23/83/1040312383.db2.gz CPIGIRIIANRXLY-CXAGYDPISA-N -1 1 337.423 3.673 20 0 EHADMM Cc1occc1-c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000490243459 1040425125 /nfs/dbraw/zinc/42/51/25/1040425125.db2.gz HRFAFCDAFSUJPT-UHFFFAOYSA-N -1 1 333.731 3.668 20 0 EHADMM CCO[C@@H](C(=O)Nc1cccc([O-])c1Br)C1CCCC1 ZINC000908718104 1040588859 /nfs/dbraw/zinc/58/88/59/1040588859.db2.gz QZMZODIAPXWZTI-CQSZACIVSA-N -1 1 342.233 3.689 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CC12CCSCC2 ZINC000908708641 1040604417 /nfs/dbraw/zinc/60/44/17/1040604417.db2.gz YZIFWUIDZBDNLL-SECBINFHSA-N -1 1 342.258 3.627 20 0 EHADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc([O-])c1Br ZINC000908712157 1040607943 /nfs/dbraw/zinc/60/79/43/1040607943.db2.gz AMGWOCDBDTUMKY-ZWNOBZJWSA-N -1 1 342.233 3.689 20 0 EHADMM C[C@H]1C[N@@H+](Cc2cccc(O)c2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600195980 1040809826 /nfs/dbraw/zinc/80/98/26/1040809826.db2.gz LJTKGHCTARXRLP-JSGCOSHPSA-N -1 1 339.863 3.845 20 0 EHADMM CCCCc1nc(C)c(CC(=O)Nc2cc([O-])c(F)cc2F)s1 ZINC000909973393 1041088402 /nfs/dbraw/zinc/08/84/02/1041088402.db2.gz YQHJWOYDUCRXKZ-UHFFFAOYSA-N -1 1 340.395 3.959 20 0 EHADMM CC(C)Cn1cc(C(=O)Nc2cc([O-])c(F)cc2F)c(C(F)F)n1 ZINC000909987371 1041099350 /nfs/dbraw/zinc/09/93/50/1041099350.db2.gz RUBFHAVNVOCPQH-UHFFFAOYSA-N -1 1 345.296 3.713 20 0 EHADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613862655 1042440284 /nfs/dbraw/zinc/44/02/84/1042440284.db2.gz UDWBVLQNDADARK-LBPRGKRZSA-N -1 1 338.329 3.743 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H](C)S1 ZINC000652402916 1042450785 /nfs/dbraw/zinc/45/07/85/1042450785.db2.gz JHSCYMOGJBMPEJ-KKFJDGPESA-N -1 1 334.268 3.945 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000432269165 1042453152 /nfs/dbraw/zinc/45/31/52/1042453152.db2.gz IQPPNHHKYJTDDF-ZDUSSCGKSA-N -1 1 347.358 3.603 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1Cl ZINC000432639133 1044564945 /nfs/dbraw/zinc/56/49/45/1044564945.db2.gz TVLPUILRIFHHKR-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CSc1ccc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)o1 ZINC000112246473 1044593255 /nfs/dbraw/zinc/59/32/55/1044593255.db2.gz RAKNWFWHCCROPE-UHFFFAOYSA-N -1 1 331.422 3.696 20 0 EHADMM COC(=O)c1c[n-]c(SCc2ccc(C)c(Br)c2)n1 ZINC000432651771 1044623972 /nfs/dbraw/zinc/62/39/72/1044623972.db2.gz AEQISTOGSFLILN-UHFFFAOYSA-N -1 1 341.230 3.560 20 0 EHADMM O=C(Nc1ccn(CC(F)(F)F)n1)c1ccc2ccccc2c1[O-] ZINC000154862173 1125760848 /nfs/dbraw/zinc/76/08/48/1125760848.db2.gz GDDBKFYWTDTEII-UHFFFAOYSA-N -1 1 335.285 3.557 20 0 EHADMM O=C(Nc1cccnc1OCC(F)F)c1cc2ccccc2cc1[O-] ZINC000622474450 1126704921 /nfs/dbraw/zinc/70/49/21/1126704921.db2.gz SBGFUARWGYEZIV-UHFFFAOYSA-N -1 1 344.317 3.837 20 0 EHADMM COc1cc(C(=O)N[C@@H](C(F)F)C2CCCCC2)cc(Cl)c1[O-] ZINC000623045061 1126865107 /nfs/dbraw/zinc/86/51/07/1126865107.db2.gz JULGUNUCUGDAPX-CYBMUJFWSA-N -1 1 347.789 3.998 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000178823625 1127033133 /nfs/dbraw/zinc/03/31/33/1127033133.db2.gz LDSUZFZWSGXBKI-UHFFFAOYSA-N -1 1 345.402 3.654 20 0 EHADMM CCOc1cc(-c2noc([C@H]3C[C@@H]3C(F)F)n2)cc(Cl)c1[O-] ZINC000350585725 1127088737 /nfs/dbraw/zinc/08/87/37/1127088737.db2.gz UZYPZAZNPODLSW-YUMQZZPRSA-N -1 1 330.718 3.863 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)[C@@H]2CCCC[C@@H]21 ZINC000180533308 1127169466 /nfs/dbraw/zinc/16/94/66/1127169466.db2.gz CORAEDWJRDDWPU-MPKXVKKWSA-N -1 1 338.245 3.805 20 0 EHADMM Cc1oc2ccccc2c1C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000185966852 1127216437 /nfs/dbraw/zinc/21/64/37/1127216437.db2.gz DAXOTXUSPMRHLY-UHFFFAOYSA-N -1 1 346.745 3.609 20 0 EHADMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(-c4ccccc4)n3C)n2)o1 ZINC000764338594 1127482621 /nfs/dbraw/zinc/48/26/21/1127482621.db2.gz SAKQFFPVVCGGCY-UHFFFAOYSA-N -1 1 347.378 3.631 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CCC2(C1)CCCCC2 ZINC000383282864 1127536275 /nfs/dbraw/zinc/53/62/75/1127536275.db2.gz SGAHNLAGMJTWPL-UHFFFAOYSA-N -1 1 338.245 3.951 20 0 EHADMM Cc1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000022416632 1127689460 /nfs/dbraw/zinc/68/94/60/1127689460.db2.gz ZRSRRJLDYNJQAX-UHFFFAOYSA-N -1 1 337.419 3.744 20 0 EHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000024579039 1127708239 /nfs/dbraw/zinc/70/82/39/1127708239.db2.gz ABLYMKNVYXRVBV-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@@H]2CCC[C@@H]2C)[nH]1 ZINC001127966701 1127757653 /nfs/dbraw/zinc/75/76/53/1127757653.db2.gz PBAUFRUZXGJIBD-STQMWFEESA-N -1 1 335.448 3.694 20 0 EHADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000026875468 1127775022 /nfs/dbraw/zinc/77/50/22/1127775022.db2.gz NJLIVMRSECEUFY-JGVFFNPUSA-N -1 1 328.286 3.912 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(Oc2ccccc2)c1 ZINC000029388705 1127800212 /nfs/dbraw/zinc/80/02/12/1127800212.db2.gz HLTFTUHSJOLWMX-UHFFFAOYSA-N -1 1 348.284 3.868 20 0 EHADMM COCCOc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000031932092 1127843637 /nfs/dbraw/zinc/84/36/37/1127843637.db2.gz RADYWQOLXXHQPG-UHFFFAOYSA-N -1 1 337.375 3.823 20 0 EHADMM CCc1oc(CNCc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000902087575 1127867227 /nfs/dbraw/zinc/86/72/27/1127867227.db2.gz LXZNDUSYUCFHCY-UHFFFAOYSA-N -1 1 327.302 3.849 20 0 EHADMM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cnncc3[O-])c2)C1 ZINC001626055249 1127908156 /nfs/dbraw/zinc/90/81/56/1127908156.db2.gz BNQBMESHZIUXJV-XJKSGUPXSA-N -1 1 341.411 3.530 20 0 EHADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000067524473 1128243187 /nfs/dbraw/zinc/24/31/87/1128243187.db2.gz SRBBAYNVZOFTPX-UHFFFAOYSA-N -1 1 336.323 3.691 20 0 EHADMM CCC(=O)c1ccc(OCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667438 1128345561 /nfs/dbraw/zinc/34/55/61/1128345561.db2.gz VDOVAHMCKDUZOE-UHFFFAOYSA-N -1 1 333.771 3.656 20 0 EHADMM O=C([N-]c1nnc(C2CC2)s1)c1cnc(-c2ccsc2)s1 ZINC000112228255 1128347098 /nfs/dbraw/zinc/34/70/98/1128347098.db2.gz BTMREQIHJZJANY-UHFFFAOYSA-N -1 1 334.451 3.853 20 0 EHADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)oc1C ZINC000060554352 1128737034 /nfs/dbraw/zinc/73/70/34/1128737034.db2.gz INZQYETWGMTJQP-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM O=C(Cc1ccc(F)cc1Br)Nc1cccc(F)c1[O-] ZINC001648851027 1120054829 /nfs/dbraw/zinc/05/48/29/1120054829.db2.gz SHXGJMZYZBXHTP-UHFFFAOYSA-N -1 1 342.139 3.614 20 0 EHADMM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001670530406 1120082776 /nfs/dbraw/zinc/08/27/76/1120082776.db2.gz HZNKPVMIWDRUCG-LBPRGKRZSA-N -1 1 341.782 3.826 20 0 EHADMM O=S(=O)([N-]c1cnccc1Cl)c1ccccc1C(F)(F)F ZINC000228054272 1120219672 /nfs/dbraw/zinc/21/96/72/1120219672.db2.gz BRPMFIZRIPEIHD-UHFFFAOYSA-N -1 1 336.722 3.555 20 0 EHADMM O=C(NC1CCCCCCC1)c1ccc(Br)cc1[O-] ZINC000110324856 1120333433 /nfs/dbraw/zinc/33/34/33/1120333433.db2.gz DBTHKILASWALAW-UHFFFAOYSA-N -1 1 326.234 3.997 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ccc2n1C ZINC000074985721 1120746609 /nfs/dbraw/zinc/74/66/09/1120746609.db2.gz QKRYDZVTAHUCSU-UHFFFAOYSA-N -1 1 343.452 3.806 20 0 EHADMM O=C(Nc1nc(-c2ccccc2)cs1)c1csc(=NC2CC2)[n-]1 ZINC000494928965 1120907959 /nfs/dbraw/zinc/90/79/59/1120907959.db2.gz GQZIUSSCFAOKRV-UHFFFAOYSA-N -1 1 342.449 3.515 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccsc1 ZINC000672414228 1128971467 /nfs/dbraw/zinc/97/14/67/1128971467.db2.gz MURAOKWIPUWVAV-ZETCQYMHSA-N -1 1 337.800 3.719 20 0 EHADMM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-][C@H]1CCCC1(F)F ZINC000672431277 1128975387 /nfs/dbraw/zinc/97/53/87/1128975387.db2.gz UPHLNECPLWZFRL-NSHDSACASA-N -1 1 344.210 3.601 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1OC ZINC000007109346 1121325738 /nfs/dbraw/zinc/32/57/38/1121325738.db2.gz HIEMBXKHSHCMLB-UHFFFAOYSA-N -1 1 335.425 3.512 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1cccc(F)c1 ZINC000631987775 1121350415 /nfs/dbraw/zinc/35/04/15/1121350415.db2.gz ODEPGAIJGFARTL-UHFFFAOYSA-N -1 1 347.358 3.612 20 0 EHADMM CCOc1cc(C(=O)Nc2n[nH]c3ccccc32)cc(Cl)c1[O-] ZINC000762578871 1121363540 /nfs/dbraw/zinc/36/35/40/1121363540.db2.gz MORKIWPXTQVWNP-UHFFFAOYSA-N -1 1 331.759 3.573 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2CSc3ccccc3O2)no1 ZINC000322887104 1121680229 /nfs/dbraw/zinc/68/02/29/1121680229.db2.gz CFAJSBLCGOLPSB-ZDUSSCGKSA-N -1 1 330.340 3.807 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1 ZINC000032600035 1121966291 /nfs/dbraw/zinc/96/62/91/1121966291.db2.gz LUXCHOGFDCWDRN-UHFFFAOYSA-N -1 1 345.342 3.737 20 0 EHADMM CC(C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000077390801 1129023033 /nfs/dbraw/zinc/02/30/33/1129023033.db2.gz HKTKXQIGPFLBIH-UHFFFAOYSA-N -1 1 346.452 3.862 20 0 EHADMM C[C@@H](CSc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000916260675 1122105802 /nfs/dbraw/zinc/10/58/02/1122105802.db2.gz PPGNXSGGBKTUQX-NSHDSACASA-N -1 1 343.452 3.807 20 0 EHADMM COc1cccc2c1CCCN2C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000497474880 1122565909 /nfs/dbraw/zinc/56/59/09/1122565909.db2.gz VXRMMGFXETUHHT-UHFFFAOYSA-N -1 1 347.798 3.656 20 0 EHADMM Cc1c(=O)[n-]c(SCC(=O)C2(Cl)CC2)nc1-c1ccccc1 ZINC000917469420 1122615720 /nfs/dbraw/zinc/61/57/20/1122615720.db2.gz VWVRTXZXRQRUHA-UHFFFAOYSA-N -1 1 334.828 3.590 20 0 EHADMM COC(=O)c1c[n-]c(SCc2nc(C)c(C(C)(C)C)s2)n1 ZINC000917496438 1122620207 /nfs/dbraw/zinc/62/02/07/1122620207.db2.gz MRAGOKIQEMNIQI-UHFFFAOYSA-N -1 1 325.459 3.551 20 0 EHADMM CN(CCC(=O)[O-])Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000262665591 1122670077 /nfs/dbraw/zinc/67/00/77/1122670077.db2.gz PITVICGZZSXVRU-UHFFFAOYSA-N -1 1 344.358 3.735 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c1 ZINC000497847753 1122682327 /nfs/dbraw/zinc/68/23/27/1122682327.db2.gz RFVXBQMFMBTMBA-UHFFFAOYSA-N -1 1 341.864 3.761 20 0 EHADMM CC[C@@H](c1ccc(F)cc1F)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000497997196 1122719717 /nfs/dbraw/zinc/71/97/17/1122719717.db2.gz YASUOMPUYOVNRC-WZRBSPASSA-N -1 1 337.288 3.611 20 0 EHADMM CC[C@H](c1ccc(F)cc1F)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000497997194 1122719870 /nfs/dbraw/zinc/71/98/70/1122719870.db2.gz YASUOMPUYOVNRC-NQBHXWOUSA-N -1 1 337.288 3.611 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(N2CCCC2)c1 ZINC000129151592 1122747936 /nfs/dbraw/zinc/74/79/36/1122747936.db2.gz SPPOKXKZIZKYCR-CYBMUJFWSA-N -1 1 328.387 3.623 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(C)c2Br)c([O-])c1 ZINC000129197640 1122753023 /nfs/dbraw/zinc/75/30/23/1122753023.db2.gz NRLWVCZCTKAECJ-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000498215084 1122801936 /nfs/dbraw/zinc/80/19/36/1122801936.db2.gz AXHYBXNHVFRZBY-GXFFZTMASA-N -1 1 342.233 3.607 20 0 EHADMM COc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1C(F)(F)F ZINC001212480978 1129084928 /nfs/dbraw/zinc/08/49/28/1129084928.db2.gz SKTFJSZOFSHLFN-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM COc1ccc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cc1O ZINC000130664006 1122983660 /nfs/dbraw/zinc/98/36/60/1122983660.db2.gz HCVARTBTHWQNOU-UHFFFAOYSA-N -1 1 337.375 3.532 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N(Cc1ccccc1)C1CC1 ZINC000133005624 1123327899 /nfs/dbraw/zinc/32/78/99/1123327899.db2.gz PKNQQKIVLYCSDJ-UHFFFAOYSA-N -1 1 346.224 3.960 20 0 EHADMM CC(C)c1ccc(OCCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920452456 1123370662 /nfs/dbraw/zinc/37/06/62/1123370662.db2.gz PXQQSTWTHDCMHN-UHFFFAOYSA-N -1 1 333.815 3.978 20 0 EHADMM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000920461931 1123371695 /nfs/dbraw/zinc/37/16/95/1123371695.db2.gz FXZDWZOAOGUNAZ-ZDUSSCGKSA-N -1 1 333.815 3.860 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1C(F)(F)F ZINC000134612916 1123536604 /nfs/dbraw/zinc/53/66/04/1123536604.db2.gz ZTTMHLTXSPCERD-UHFFFAOYSA-N -1 1 331.315 3.520 20 0 EHADMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1c(C)noc1C ZINC000135220750 1123592027 /nfs/dbraw/zinc/59/20/27/1123592027.db2.gz ASLLZQAUSFIHDR-LBPRGKRZSA-N -1 1 338.791 3.540 20 0 EHADMM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)cc1[O-] ZINC000078430532 1123627856 /nfs/dbraw/zinc/62/78/56/1123627856.db2.gz UUCHPRWCCRTOFD-UHFFFAOYSA-N -1 1 332.812 3.928 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)ccc1F ZINC000080311361 1123750849 /nfs/dbraw/zinc/75/08/49/1123750849.db2.gz VLTWTNZEZOHISG-UHFFFAOYSA-N -1 1 346.383 3.954 20 0 EHADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC000068435611 1123943060 /nfs/dbraw/zinc/94/30/60/1123943060.db2.gz BOQJKJLAEOQZIB-LBPRGKRZSA-N -1 1 336.505 3.664 20 0 EHADMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000499650674 1129157006 /nfs/dbraw/zinc/15/70/06/1129157006.db2.gz UQCQDROVBJOOLK-CPCISQLKSA-N -1 1 326.220 3.599 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])Nc1ccccc1Br ZINC000140683070 1124057950 /nfs/dbraw/zinc/05/79/50/1124057950.db2.gz DHXOJNFEHNIGMB-UHFFFAOYSA-N -1 1 325.137 3.938 20 0 EHADMM Cc1cc(OCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)ccc1Cl ZINC000617365260 1124500113 /nfs/dbraw/zinc/50/01/13/1124500113.db2.gz CGTIQGUOMUALDV-UHFFFAOYSA-N -1 1 347.827 3.539 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)[C@@H]2CCCC[C@H]21 ZINC000248384091 1124653631 /nfs/dbraw/zinc/65/36/31/1124653631.db2.gz CORAEDWJRDDWPU-SCDSUCTJSA-N -1 1 338.245 3.805 20 0 EHADMM COc1cccc([C@@]2(C)CCN(C(=O)c3cc(Cl)ccc3[O-])C2)c1 ZINC000618740273 1125178046 /nfs/dbraw/zinc/17/80/46/1125178046.db2.gz FSEXKXRQXGBAPG-IBGZPJMESA-N -1 1 345.826 3.858 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000619184989 1125306898 /nfs/dbraw/zinc/30/68/98/1125306898.db2.gz ZPFXCVSAUZQUCW-XLIONFOSSA-N -1 1 339.435 3.967 20 0 EHADMM Cc1cc([C@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)c(O)cc1Cl ZINC000619374919 1125342538 /nfs/dbraw/zinc/34/25/38/1125342538.db2.gz PLQBXTMBFFUKIP-NSHDSACASA-N -1 1 349.789 3.828 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(Cl)nc2)c1 ZINC000182932995 1125398206 /nfs/dbraw/zinc/39/82/06/1125398206.db2.gz NMDAUDJKGNDCIV-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCCC[C@H]1c1ccccc1 ZINC000358182844 1129366493 /nfs/dbraw/zinc/36/64/93/1129366493.db2.gz GSZBTGVXPXXSEH-INIZCTEOSA-N -1 1 327.453 3.507 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)C(F)(F)F ZINC000673576129 1129578990 /nfs/dbraw/zinc/57/89/90/1129578990.db2.gz CDMIHSOERSLZLP-MRVPVSSYSA-N -1 1 337.750 3.722 20 0 EHADMM C[C@@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1cccc(F)c1F ZINC001168733420 1129641661 /nfs/dbraw/zinc/64/16/61/1129641661.db2.gz JUXDORVQYVNQLV-GFCCVEGCSA-N -1 1 341.361 3.978 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(CC)c2)cc1OCC ZINC000674335023 1130067821 /nfs/dbraw/zinc/06/78/21/1130067821.db2.gz DLNXQGBKKLGIBY-UHFFFAOYSA-N -1 1 349.452 3.847 20 0 EHADMM CCCCC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000728060295 1130618172 /nfs/dbraw/zinc/61/81/72/1130618172.db2.gz GMBWZOIMPULBDF-INIZCTEOSA-N -1 1 336.457 3.891 20 0 EHADMM CCCCc1nc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])no1 ZINC000730359779 1130702905 /nfs/dbraw/zinc/70/29/05/1130702905.db2.gz ABRAPZTXAOLOMU-UHFFFAOYSA-N -1 1 345.182 3.782 20 0 EHADMM CC(C)c1nc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])no1 ZINC000730360117 1130702931 /nfs/dbraw/zinc/70/29/31/1130702931.db2.gz QSKHTGBQSYCQOZ-UHFFFAOYSA-N -1 1 331.155 3.562 20 0 EHADMM CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358931 1130702973 /nfs/dbraw/zinc/70/29/73/1130702973.db2.gz DWXBRKGSNRPHCH-MRVPVSSYSA-N -1 1 348.226 3.549 20 0 EHADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccccc1 ZINC000730360907 1130702999 /nfs/dbraw/zinc/70/29/99/1130702999.db2.gz SBHAGNFJUKNZJG-UHFFFAOYSA-N -1 1 325.147 3.739 20 0 EHADMM CC(C)c1noc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000730361435 1130703427 /nfs/dbraw/zinc/70/34/27/1130703427.db2.gz AIQOCBDXTUWFPN-UHFFFAOYSA-N -1 1 331.155 3.562 20 0 EHADMM O=C(c1nnc2ccccc2c1O)N1CCC(C2CCCCC2)CC1 ZINC000732272275 1130904247 /nfs/dbraw/zinc/90/42/47/1130904247.db2.gz BPXKEERXNPSIBE-UHFFFAOYSA-N -1 1 339.439 3.768 20 0 EHADMM CC(C)(C)OC(=O)Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000742305992 1131704340 /nfs/dbraw/zinc/70/43/40/1131704340.db2.gz XJDJGNWACSOXDG-UHFFFAOYSA-N -1 1 349.408 3.801 20 0 EHADMM [O-]c1ccc(Cl)c(Nc2ccc(CN3CC(O)C3)cc2)c1Cl ZINC001212670088 1131778820 /nfs/dbraw/zinc/77/88/20/1131778820.db2.gz GQWTVOMQSPVEDP-UHFFFAOYSA-N -1 1 339.222 3.619 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1sccc1C1CC1 ZINC000742904661 1131814978 /nfs/dbraw/zinc/81/49/78/1131814978.db2.gz UWHQJFZFMHNOAE-UHFFFAOYSA-N -1 1 342.372 3.795 20 0 EHADMM CC(C)c1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])cc1 ZINC001173895531 1132166631 /nfs/dbraw/zinc/16/66/31/1132166631.db2.gz MNMJBNFHJVCAKX-UHFFFAOYSA-N -1 1 334.397 3.526 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(OC(C)C)c2)c1 ZINC001174114965 1132231781 /nfs/dbraw/zinc/23/17/81/1132231781.db2.gz SQQZQXAPPIWWPI-UHFFFAOYSA-N -1 1 335.425 3.717 20 0 EHADMM O=S(=O)([O-])c1cccc2cc(Nc3cccc4n[nH]cc43)ccc21 ZINC001174345614 1132325680 /nfs/dbraw/zinc/32/56/80/1132325680.db2.gz JFTJJQFMMSSCKM-UHFFFAOYSA-N -1 1 339.376 3.706 20 0 EHADMM COC(=O)[N-]C(=S)N(c1cc(C)sc1C)c1ccccc1N ZINC001174422369 1132347879 /nfs/dbraw/zinc/34/78/79/1132347879.db2.gz ZHZQGSGHBMNSFB-UHFFFAOYSA-N -1 1 335.454 3.726 20 0 EHADMM O=S(=O)([O-])c1cccc2cc(Nc3ccc4c[nH]nc4c3)ccc21 ZINC001174501788 1132390290 /nfs/dbraw/zinc/39/02/90/1132390290.db2.gz FZYZRZNCJJEXNO-UHFFFAOYSA-N -1 1 339.376 3.706 20 0 EHADMM c1nn(Cc2ccccn2)cc1[N-]c1nc(-c2ccccc2)ns1 ZINC000185307674 1132414014 /nfs/dbraw/zinc/41/40/14/1132414014.db2.gz RTJHMXBBXAYIPQ-UHFFFAOYSA-N -1 1 334.408 3.589 20 0 EHADMM CCc1c(Cl)cc(Nc2cnn(CCOC)c2)c([O-])c1Cl ZINC001174552387 1132414149 /nfs/dbraw/zinc/41/41/49/1132414149.db2.gz JXZNSPCLVQXLLX-UHFFFAOYSA-N -1 1 330.215 3.848 20 0 EHADMM CCNC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000192205355 1132468920 /nfs/dbraw/zinc/46/89/20/1132468920.db2.gz PHPSHURASVQNIR-UHFFFAOYSA-N -1 1 347.802 3.748 20 0 EHADMM CC(C)(C)c1cc2c([n-]c([C@H]3COc4ccccc4O3)nc2=O)s1 ZINC000192955081 1132477203 /nfs/dbraw/zinc/47/72/03/1132477203.db2.gz NKAYWCAYXWMLKH-CYBMUJFWSA-N -1 1 342.420 3.795 20 0 EHADMM CCOc1ccc(Cl)c(Nc2cc(S(C)(=O)=O)ccc2[O-])c1 ZINC001212576962 1132492497 /nfs/dbraw/zinc/49/24/97/1132492497.db2.gz GAEMHRKEJUWGKN-UHFFFAOYSA-N -1 1 341.816 3.591 20 0 EHADMM Cc1[nH]nc2cc(Nc3ccc(S(=O)(=O)[O-])cc3Cl)ccc12 ZINC001175663060 1132733607 /nfs/dbraw/zinc/73/36/07/1132733607.db2.gz RCBYJCHQOWDNNE-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000766775251 1132809955 /nfs/dbraw/zinc/80/99/55/1132809955.db2.gz MMKPNFPTFWZLCV-MRVPVSSYSA-N -1 1 329.240 3.809 20 0 EHADMM O=c1oc2cc([O-])ccc2cc1Nc1c(F)cc(F)c(F)c1F ZINC001176350169 1132917224 /nfs/dbraw/zinc/91/72/24/1132917224.db2.gz VWWMOVCMWABWRD-UHFFFAOYSA-N -1 1 325.217 3.799 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000767302744 1132980090 /nfs/dbraw/zinc/98/00/90/1132980090.db2.gz WAUDIONDKDAGOE-CQSZACIVSA-N -1 1 349.789 3.868 20 0 EHADMM CCn1c(C(=O)NCc2ccc([O-])c(Cl)c2)cc2ccccc21 ZINC001176988356 1133018438 /nfs/dbraw/zinc/01/84/38/1133018438.db2.gz LPHAIIBFXDOILB-UHFFFAOYSA-N -1 1 328.799 3.950 20 0 EHADMM C[C@@H](CCOc1ccccc1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176994698 1133020335 /nfs/dbraw/zinc/02/03/35/1133020335.db2.gz WVZBEXJHRHCMEB-ZDUSSCGKSA-N -1 1 333.815 3.767 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[nH]1 ZINC000768862972 1133199275 /nfs/dbraw/zinc/19/92/75/1133199275.db2.gz NPIMNFHFZXFDGD-BQYQJAHWSA-N -1 1 339.848 3.773 20 0 EHADMM O=C(Cc1ccc(-n2cccn2)cc1)Nc1cc(F)c([O-])cc1Cl ZINC001179655101 1133267500 /nfs/dbraw/zinc/26/75/00/1133267500.db2.gz CYCSTCCZQBFNSA-UHFFFAOYSA-N -1 1 345.761 3.552 20 0 EHADMM COc1ccccc1C[C@@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769929495 1133367892 /nfs/dbraw/zinc/36/78/92/1133367892.db2.gz WSXCMWJVUMBJOW-GFCCVEGCSA-N -1 1 333.815 3.757 20 0 EHADMM [O-]c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c(F)c1F ZINC001180412976 1133372651 /nfs/dbraw/zinc/37/26/51/1133372651.db2.gz NWPQFHAKNRCQMZ-AWEZNQCLSA-N -1 1 347.361 3.779 20 0 EHADMM C[C@@H](NCc1ccc([O-])c(F)c1F)c1nc(C2CCCCC2)no1 ZINC001181446113 1133488918 /nfs/dbraw/zinc/48/89/18/1133488918.db2.gz WOENYCMAMFGFRN-SNVBAGLBSA-N -1 1 337.370 3.952 20 0 EHADMM COC(=O)c1sc([N-]c2ccn(-c3ccccc3)n2)nc1Cl ZINC000771202383 1133519842 /nfs/dbraw/zinc/51/98/42/1133519842.db2.gz NARVVLCCKMXSOZ-UHFFFAOYSA-N -1 1 334.788 3.512 20 0 EHADMM O=C(Cc1n[nH]c2ccccc12)Nc1ccc2[n-]c(=S)sc2c1 ZINC001182059925 1133569950 /nfs/dbraw/zinc/56/99/50/1133569950.db2.gz FIMNVJCRTFRWJO-UHFFFAOYSA-N -1 1 340.433 3.643 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])C1(c2c(F)cccc2F)CCC1 ZINC001183219468 1133779932 /nfs/dbraw/zinc/77/99/32/1133779932.db2.gz WOXWADZBTKRKCX-UHFFFAOYSA-N -1 1 338.741 3.779 20 0 EHADMM C[C@H](C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1Cl ZINC001184475104 1133945458 /nfs/dbraw/zinc/94/54/58/1133945458.db2.gz YHJMIUZRZVMHSZ-LBPRGKRZSA-N -1 1 341.798 3.974 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC001184512919 1133955322 /nfs/dbraw/zinc/95/53/22/1133955322.db2.gz XPGHBUPCBVFJSI-NXEZZACHSA-N -1 1 342.233 3.928 20 0 EHADMM O=S(=O)([N-]CCCCc1ccccc1)c1cc2cc(F)ccc2o1 ZINC001184981642 1134011152 /nfs/dbraw/zinc/01/11/52/1134011152.db2.gz CMTFKTQJJUKXNW-UHFFFAOYSA-N -1 1 347.411 3.873 20 0 EHADMM 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ZINC001135527136 1136703100 /nfs/dbraw/zinc/70/31/00/1136703100.db2.gz SLHNUAXEVOJBBX-UHFFFAOYSA-N -1 1 337.375 3.532 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)no1 ZINC000857441757 1136870918 /nfs/dbraw/zinc/87/09/18/1136870918.db2.gz AOESBPUUESGRAZ-UHFFFAOYSA-N -1 1 335.137 3.698 20 0 EHADMM O=C(NCc1c(F)cc(F)cc1F)c1ccc(C(F)(F)F)c([O-])c1 ZINC000818513044 1136878562 /nfs/dbraw/zinc/87/85/62/1136878562.db2.gz QWRKEUQRGSNVPV-UHFFFAOYSA-N -1 1 349.230 3.758 20 0 EHADMM COc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000857591446 1136887467 /nfs/dbraw/zinc/88/74/67/1136887467.db2.gz PAEDCVPBMPIIRZ-CYBMUJFWSA-N -1 1 337.288 3.634 20 0 EHADMM C[C@H]1CN=C([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)S1 ZINC000819782696 1136962477 /nfs/dbraw/zinc/96/24/77/1136962477.db2.gz AXPJGNPIFSEZFG-LURJTMIESA-N -1 1 339.194 3.693 20 0 EHADMM S=c1nc(-c2ccccn2)[n-]n1CN1CCC[C@@H]1c1cccs1 ZINC000117318971 1137050214 /nfs/dbraw/zinc/05/02/14/1137050214.db2.gz TZMAIKJAMMRVTL-CYBMUJFWSA-N -1 1 343.481 3.859 20 0 EHADMM COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(F)c([O-])c1 ZINC001136714867 1137098188 /nfs/dbraw/zinc/09/81/88/1137098188.db2.gz YJAYQGRBHKFKLZ-GFCCVEGCSA-N -1 1 349.427 3.698 20 0 EHADMM CC1(C(=O)Nc2nc(Br)ccc2[O-])CCC(F)(F)CC1 ZINC000861250829 1137098900 /nfs/dbraw/zinc/09/89/00/1137098900.db2.gz SXNPHFFYEXSSSC-UHFFFAOYSA-N -1 1 349.175 3.704 20 0 EHADMM Cc1ccc(C[C@H](C)NC(=O)c2ncc3ccccc3c2[O-])c(C)c1 ZINC001136767531 1137110569 /nfs/dbraw/zinc/11/05/69/1137110569.db2.gz UJQPSLNNEACPRS-HNNXBMFYSA-N -1 1 334.419 3.918 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccnc2Cl)c(Cl)c1 ZINC000861566080 1137111540 /nfs/dbraw/zinc/11/15/40/1137111540.db2.gz HXLGUIKKZHCLSS-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM C[C@@H]1c2ccc(Cl)n2CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000794443948 1137154615 /nfs/dbraw/zinc/15/46/15/1137154615.db2.gz KUVKERASQRJBQY-LLVKDONJSA-N -1 1 344.798 3.530 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@H](CCF)C3)c2)o1 ZINC000825346853 1137173912 /nfs/dbraw/zinc/17/39/12/1137173912.db2.gz HXMPZGLOUOVPFN-CYBMUJFWSA-N -1 1 345.370 3.677 20 0 EHADMM CC[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000863415482 1137185593 /nfs/dbraw/zinc/18/55/93/1137185593.db2.gz FSTMMGZEQRJYIW-LBPRGKRZSA-N -1 1 345.420 3.671 20 0 EHADMM CCc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000863450394 1137186929 /nfs/dbraw/zinc/18/69/29/1137186929.db2.gz JRDNBPSHPOCUIJ-UHFFFAOYSA-N -1 1 342.823 3.687 20 0 EHADMM CC(C)(C)SCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476766 1137188548 /nfs/dbraw/zinc/18/85/48/1137188548.db2.gz NNDRNRSCSGNVIP-UHFFFAOYSA-N -1 1 333.457 3.828 20 0 EHADMM O=C(Nc1cc2c(cn1)CCCC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC000794744939 1137244085 /nfs/dbraw/zinc/24/40/85/1137244085.db2.gz KQMGTTYNOKRNAA-UHFFFAOYSA-N -1 1 336.313 3.937 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@@H](CC)C(=O)N(C)c2ccc(C)cc2)n1 ZINC000865364001 1137277709 /nfs/dbraw/zinc/27/77/09/1137277709.db2.gz ZFRHTNWZYODVKH-HNNXBMFYSA-N -1 1 345.468 3.587 20 0 EHADMM C[C@@]1(c2ccc(F)cc2)CN(Cc2c(F)cc([O-])cc2F)CCO1 ZINC001144559952 1137309999 /nfs/dbraw/zinc/30/99/99/1137309999.db2.gz SNTOXMQZKQIPBM-SFHVURJKSA-N -1 1 337.341 3.557 20 0 EHADMM Cc1ccccc1[C@@H]1CN(Cc2ccccc2CC(=O)[O-])[C@H](C)CO1 ZINC000846249896 1137343993 /nfs/dbraw/zinc/34/39/93/1137343993.db2.gz TVHHXMQKMJLQTF-UZLBHIALSA-N -1 1 339.435 3.584 20 0 EHADMM CC[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1nc(C)cs1 ZINC001144814947 1137350309 /nfs/dbraw/zinc/35/03/09/1137350309.db2.gz JENSLFUJYQJHRG-OAHLLOKOSA-N -1 1 342.420 3.897 20 0 EHADMM C[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)c1cnccn1 ZINC001148251722 1137420650 /nfs/dbraw/zinc/42/06/50/1137420650.db2.gz ARSQLNOIOPPLJX-JTQLQIEISA-N -1 1 327.771 3.731 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3cccc4cc[nH]c43)cc2)[n-]1 ZINC001148337522 1137422643 /nfs/dbraw/zinc/42/26/43/1137422643.db2.gz MPEGPNMOHMPXPP-UHFFFAOYSA-N -1 1 332.363 3.533 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N3CCc4ccccc4[C@H]3C)cc2)[n-]1 ZINC001148326850 1137422738 /nfs/dbraw/zinc/42/27/38/1137422738.db2.gz VVFOCFYRQRLHJX-OAHLLOKOSA-N -1 1 347.418 3.559 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC001148406171 1137424555 /nfs/dbraw/zinc/42/45/55/1137424555.db2.gz MKPIVJWTPBMQIO-UHFFFAOYSA-N -1 1 327.380 3.757 20 0 EHADMM O=C(Nc1ccc(Cl)nn1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861724 1137436521 /nfs/dbraw/zinc/43/65/21/1137436521.db2.gz VNFITCCIVHLXAM-UHFFFAOYSA-N -1 1 325.755 3.755 20 0 EHADMM O=C(NCCC1CCC(O)CC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872037 1137437151 /nfs/dbraw/zinc/43/71/51/1137437151.db2.gz DZASCHCQSQUZJB-UHFFFAOYSA-N -1 1 339.435 3.730 20 0 EHADMM O=C(N[C@H](c1ccc(F)cc1)C1CCCCC1)c1cncc([O-])c1 ZINC001171616979 1137500578 /nfs/dbraw/zinc/50/05/78/1137500578.db2.gz YQEYYTYPEYGTJT-SFHVURJKSA-N -1 1 328.387 3.978 20 0 EHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(C(F)(F)F)cc1O ZINC001212632253 1137521945 /nfs/dbraw/zinc/52/19/45/1137521945.db2.gz OVUWSJUAGCZFAJ-UHFFFAOYSA-N -1 1 337.253 3.967 20 0 EHADMM Cc1nc(-c2ccc(NCC3(OC(C)C)CCC3)nc2)[n-]c(=O)c1C ZINC000872707508 1137583022 /nfs/dbraw/zinc/58/30/22/1137583022.db2.gz NAKKUUZDFZISDX-UHFFFAOYSA-N -1 1 342.443 3.621 20 0 EHADMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874697432 1137621551 /nfs/dbraw/zinc/62/15/51/1137621551.db2.gz OWZVDPDXHRDMDC-UHFFFAOYSA-N -1 1 334.426 3.939 20 0 EHADMM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876395894 1137650722 /nfs/dbraw/zinc/65/07/22/1137650722.db2.gz RLOHJFXZQXVACZ-LRDDRELGSA-N -1 1 345.830 3.733 20 0 EHADMM CC(C)(C)O[C@@H]1C[C@H](NCc2nnc(-c3ccccc3O)o2)C1(C)C ZINC000878713910 1137726005 /nfs/dbraw/zinc/72/60/05/1137726005.db2.gz CYFWXROUFPGYRV-LSDHHAIUSA-N -1 1 345.443 3.514 20 0 EHADMM O=C([N-]c1ccnc(Cl)c1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000114603634 1137787049 /nfs/dbraw/zinc/78/70/49/1137787049.db2.gz FUVHTOXYBOESLI-UHFFFAOYSA-N -1 1 330.102 3.688 20 0 EHADMM O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc([O-])cc1F ZINC001137186667 1137850194 /nfs/dbraw/zinc/85/01/94/1137850194.db2.gz LYUUCBWQNGRURS-UHFFFAOYSA-N -1 1 347.239 3.864 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000883966143 1137884148 /nfs/dbraw/zinc/88/41/48/1137884148.db2.gz BHXIFFMUTJPYFD-CYBMUJFWSA-N -1 1 343.452 3.581 20 0 EHADMM Cc1cc(Cl)nc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000800069971 1137896366 /nfs/dbraw/zinc/89/63/66/1137896366.db2.gz OZFWKOVGUBUATQ-UHFFFAOYSA-N -1 1 326.783 3.832 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CCCc3sccc32)cc(Cl)c1[O-] ZINC000331762920 1137919542 /nfs/dbraw/zinc/91/95/42/1137919542.db2.gz BMXWULYFTYTGDZ-GFCCVEGCSA-N -1 1 337.828 3.923 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2sc3c(c2C)CCCC3)c1 ZINC000332265986 1137937733 /nfs/dbraw/zinc/93/77/33/1137937733.db2.gz WARNWGZBYWISFI-UHFFFAOYSA-N -1 1 344.436 3.852 20 0 EHADMM CC(C)(C)OC[C@H](O)CNc1cc(Cl)c(Cl)c(Cl)c1[O-] ZINC001253467372 1137995117 /nfs/dbraw/zinc/99/51/17/1137995117.db2.gz IUTOJVWKGHPPPX-SSDOTTSWSA-N -1 1 342.650 3.940 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(c2ccccc2)CCOCC1 ZINC000885674397 1138017893 /nfs/dbraw/zinc/01/78/93/1138017893.db2.gz NTUAMRHINVBISA-UHFFFAOYSA-N -1 1 349.789 3.872 20 0 EHADMM Cc1cc(C)n([C@@H](C)CC(=O)Nc2cc(F)c([O-])cc2Cl)n1 ZINC000885673962 1138018047 /nfs/dbraw/zinc/01/80/47/1138018047.db2.gz AXCZNZHSGQMHBK-JTQLQIEISA-N -1 1 325.771 3.588 20 0 EHADMM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)C1(C)C ZINC000885678007 1138018131 /nfs/dbraw/zinc/01/81/31/1138018131.db2.gz GOYJMSZVLLPRCL-RKDXNWHRSA-N -1 1 327.783 3.765 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2cc(-c3cccnc3)on2)s1 ZINC000045765196 1138041005 /nfs/dbraw/zinc/04/10/05/1138041005.db2.gz VWAZIYWUIHBEJD-UHFFFAOYSA-N -1 1 343.412 3.744 20 0 EHADMM CC(C)(NCc1nc(=O)c2sccc2[n-]1)c1ccc(F)cc1F ZINC000886899657 1138171114 /nfs/dbraw/zinc/17/11/14/1138171114.db2.gz QINBVPBQHSBUJM-UHFFFAOYSA-N -1 1 335.379 3.700 20 0 EHADMM Cc1c(=O)[n-]c(SC[C@H]2CCCC[C@@H]2O)nc1-c1ccccc1 ZINC000334025961 1138362665 /nfs/dbraw/zinc/36/26/65/1138362665.db2.gz HGVIXLRVLDPLFU-CABCVRRESA-N -1 1 330.453 3.801 20 0 EHADMM CC(C)(C)c1nsc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)n1 ZINC000264042237 1138410118 /nfs/dbraw/zinc/41/01/18/1138410118.db2.gz SFLKWURPXYCWPR-UHFFFAOYSA-N -1 1 349.218 3.929 20 0 EHADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000336884009 1138420961 /nfs/dbraw/zinc/42/09/61/1138420961.db2.gz HRFHRDOWAVYFRF-UHFFFAOYSA-N -1 1 336.323 3.691 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC000337773685 1138664585 /nfs/dbraw/zinc/66/45/85/1138664585.db2.gz WLVBJDCYIHKHCT-UHFFFAOYSA-N -1 1 332.450 3.701 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](c2ccsc2)O1 ZINC000150866905 1138988002 /nfs/dbraw/zinc/98/80/02/1138988002.db2.gz RYCWLKYCLIZKTD-ZUZCIYMTSA-N -1 1 337.828 3.709 20 0 EHADMM C[C@H](CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-])c1nccs1 ZINC000182516458 1139977257 /nfs/dbraw/zinc/97/72/57/1139977257.db2.gz SXQCKZWZJBNVTH-SECBINFHSA-N -1 1 344.358 3.743 20 0 EHADMM CC(C)Cc1nnc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)s1 ZINC000184697187 1140115921 /nfs/dbraw/zinc/11/59/21/1140115921.db2.gz GXZIRAIARXIMDZ-UHFFFAOYSA-N -1 1 346.387 3.783 20 0 EHADMM CCOc1cc(C(=O)NC[C@H](OC)c2ccccc2)cc(Cl)c1[O-] ZINC000186447549 1140204755 /nfs/dbraw/zinc/20/47/55/1140204755.db2.gz IQGNTVAEMRNMHW-INIZCTEOSA-N -1 1 349.814 3.562 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2ccccc2C)c(=O)[n-]1 ZINC000269004036 1141044444 /nfs/dbraw/zinc/04/44/44/1141044444.db2.gz IPRGPFGKFLBXMB-ZDUSSCGKSA-N -1 1 346.452 3.758 20 0 EHADMM CCOc1cc(C(=O)NCc2sccc2C)cc(Cl)c1[O-] ZINC000273963128 1141453888 /nfs/dbraw/zinc/45/38/88/1141453888.db2.gz PLWJBDVDCLUBOO-UHFFFAOYSA-N -1 1 325.817 3.744 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc2ccccc2n1 ZINC000339119773 1141502619 /nfs/dbraw/zinc/50/26/19/1141502619.db2.gz IRXQYWMMDDYTAY-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM O=C(NCc1ccccc1Sc1ccccc1)c1cncc([O-])c1 ZINC000348815784 1141586172 /nfs/dbraw/zinc/58/61/72/1141586172.db2.gz GOEDWYGVGBKLRL-UHFFFAOYSA-N -1 1 336.416 3.868 20 0 EHADMM CSCc1cc(F)ccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000348849626 1141596225 /nfs/dbraw/zinc/59/62/25/1141596225.db2.gz BJXYZQUCFLMBBX-UHFFFAOYSA-N -1 1 341.354 3.603 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(Br)cc2F)c([O-])c1 ZINC000019510306 212034438 /nfs/dbraw/zinc/03/44/38/212034438.db2.gz QQYJAWMJJJSZAH-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000583072759 450602737 /nfs/dbraw/zinc/60/27/37/450602737.db2.gz JQTCTCPZHSLAIN-UHFFFAOYSA-N -1 1 348.207 3.508 20 0 EHADMM CCn1nc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1C1CC1 ZINC000531416614 477903649 /nfs/dbraw/zinc/90/36/49/477903649.db2.gz CTNRBWNUXVFVBG-UHFFFAOYSA-N -1 1 339.374 3.562 20 0 EHADMM CCCC[C@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736441370 598500723 /nfs/dbraw/zinc/50/07/23/598500723.db2.gz QKDIJKMFEMUAJO-DTWKUNHWSA-N -1 1 326.857 3.747 20 0 EHADMM CCCC[C@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736441370 598500725 /nfs/dbraw/zinc/50/07/25/598500725.db2.gz QKDIJKMFEMUAJO-DTWKUNHWSA-N -1 1 326.857 3.747 20 0 EHADMM Clc1cccc2c1CC[C@@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737574148 598576655 /nfs/dbraw/zinc/57/66/55/598576655.db2.gz LIUVHWHZTZNCAU-LBPRGKRZSA-N -1 1 347.209 3.668 20 0 EHADMM Clc1cccc2c1CC[C@@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737574148 598576657 /nfs/dbraw/zinc/57/66/57/598576657.db2.gz LIUVHWHZTZNCAU-LBPRGKRZSA-N -1 1 347.209 3.668 20 0 EHADMM Fc1cccc2c1CC[C@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822790933 599494660 /nfs/dbraw/zinc/49/46/60/599494660.db2.gz AJLDFDAMTWWOQU-MRXNPFEDSA-N -1 1 346.369 3.653 20 0 EHADMM Fc1cccc2c1CC[C@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822790933 599494663 /nfs/dbraw/zinc/49/46/63/599494663.db2.gz AJLDFDAMTWWOQU-MRXNPFEDSA-N -1 1 346.369 3.653 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000569743490 599795044 /nfs/dbraw/zinc/79/50/44/599795044.db2.gz APMIZXIMGZXLHP-UHFFFAOYSA-N -1 1 343.301 3.551 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCC3(CCCCC3)CC2)c(C)c1C(=O)[O-] ZINC000738233633 599853546 /nfs/dbraw/zinc/85/35/46/599853546.db2.gz ZBQCKCPSYCORPO-UHFFFAOYSA-N -1 1 332.444 3.559 20 0 EHADMM CCC[C@H](NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccccn1 ZINC000736972008 599859689 /nfs/dbraw/zinc/85/96/89/599859689.db2.gz FOKSKJZDAYWIBC-KRWDZBQOSA-N -1 1 342.439 3.793 20 0 EHADMM O=C([O-])c1coc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000740268226 600014754 /nfs/dbraw/zinc/01/47/54/600014754.db2.gz FHSNCENUUMFMGK-KRWDZBQOSA-N -1 1 349.814 3.577 20 0 EHADMM CCC[C@](C)(NCC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000736961612 600151279 /nfs/dbraw/zinc/15/12/79/600151279.db2.gz CGTIRIGEUWJQGT-FQEVSTJZSA-N -1 1 340.423 3.525 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000738289960 600428128 /nfs/dbraw/zinc/42/81/28/600428128.db2.gz QRJGTCZUZIONTF-GFCCVEGCSA-N -1 1 327.856 3.649 20 0 EHADMM COc1ccccc1-c1nc(CN2CCCC[C@@H]2CC(=O)[O-])cs1 ZINC000650506410 600712246 /nfs/dbraw/zinc/71/22/46/600712246.db2.gz KUQYQUPQVAQMJZ-CQSZACIVSA-N -1 1 346.452 3.648 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(Br)cc1)c1ccccc1F ZINC000426797795 600747139 /nfs/dbraw/zinc/74/71/39/600747139.db2.gz CMEZJDJWMGIPIB-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM O=C([O-])[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccccc1F ZINC000833170239 600833067 /nfs/dbraw/zinc/83/30/67/600833067.db2.gz OVMLKZYXPDAVIH-ZDUSSCGKSA-N -1 1 347.346 3.668 20 0 EHADMM O=C([O-])[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)c1ccccc1F ZINC000833168826 600836804 /nfs/dbraw/zinc/83/68/04/600836804.db2.gz FAZXCBMTMLEQID-HNNXBMFYSA-N -1 1 349.431 3.985 20 0 EHADMM O=C([O-])[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)c1ccccc1F ZINC000833168826 600836806 /nfs/dbraw/zinc/83/68/06/600836806.db2.gz FAZXCBMTMLEQID-HNNXBMFYSA-N -1 1 349.431 3.985 20 0 EHADMM Cn1cccc1[C@H]1CCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833059798 600982760 /nfs/dbraw/zinc/98/27/60/600982760.db2.gz YAAKRSJKHVQNIY-MRXNPFEDSA-N -1 1 348.830 3.593 20 0 EHADMM CN(Cc1ccc(Cl)nc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830825396 601006247 /nfs/dbraw/zinc/00/62/47/601006247.db2.gz UCACOSCYNQQUFQ-CQSZACIVSA-N -1 1 325.195 3.646 20 0 EHADMM Cc1cc(C)c(NC(=O)[C@H](C)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000662219246 601841851 /nfs/dbraw/zinc/84/18/51/601841851.db2.gz PEBRITUCSFJPTA-INIZCTEOSA-N -1 1 346.471 3.516 20 0 EHADMM CC[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000825158856 607535125 /nfs/dbraw/zinc/53/51/25/607535125.db2.gz CLPRVVWXQSTULP-HNNXBMFYSA-N -1 1 329.404 3.785 20 0 EHADMM CC[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000825158856 607535127 /nfs/dbraw/zinc/53/51/27/607535127.db2.gz CLPRVVWXQSTULP-HNNXBMFYSA-N -1 1 329.404 3.785 20 0 EHADMM Cc1ccc(-c2nnc([C@H](C)N3CCC(CC(=O)[O-])CC3)o2)cc1C ZINC000832908229 602235662 /nfs/dbraw/zinc/23/56/62/602235662.db2.gz HJQZDWUIRWTHMU-AWEZNQCLSA-N -1 1 343.427 3.601 20 0 EHADMM COc1ccc(CN(Cc2ccc(C(=O)[O-])o2)C(C)(C)C)c(OC)c1 ZINC000832313852 602326172 /nfs/dbraw/zinc/32/61/72/602326172.db2.gz DJSXGKXYHQANPC-UHFFFAOYSA-N -1 1 347.411 3.796 20 0 EHADMM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739064682 603066771 /nfs/dbraw/zinc/06/67/71/603066771.db2.gz REOCLSWALSLSFZ-AWEZNQCLSA-N -1 1 343.427 3.724 20 0 EHADMM O=C([O-])N1CCC(N(Cc2csc(-c3ccco3)n2)C2CC2)CC1 ZINC000740508985 603236445 /nfs/dbraw/zinc/23/64/45/603236445.db2.gz VWVZBJBJDPVQOU-UHFFFAOYSA-N -1 1 347.440 3.510 20 0 EHADMM Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830936987 604232053 /nfs/dbraw/zinc/23/20/53/604232053.db2.gz RUESPRRPDORXTE-CZUORRHYSA-N -1 1 343.427 3.518 20 0 EHADMM Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830936661 604257432 /nfs/dbraw/zinc/25/74/32/604257432.db2.gz OSZQLROQGGXIRB-DGCLKSJQSA-N -1 1 349.456 3.580 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(F)cc(C(F)(F)F)c1)CC2 ZINC000405364268 604649561 /nfs/dbraw/zinc/64/95/61/604649561.db2.gz HXNKMJMYYXQJEH-ZDUSSCGKSA-N -1 1 331.309 3.531 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(F)cc1C(F)(F)F)CC2 ZINC000405368950 604652294 /nfs/dbraw/zinc/65/22/94/604652294.db2.gz NIEQPROULWVEFM-ZDUSSCGKSA-N -1 1 331.309 3.531 20 0 EHADMM O=C([O-])c1cc(CN2CCC[C@H]2c2ccccc2Br)c[nH]1 ZINC000833778559 604681178 /nfs/dbraw/zinc/68/11/78/604681178.db2.gz BQONMTUEDXYSTO-HNNXBMFYSA-N -1 1 349.228 3.813 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC(c2nc3ccccc3s2)C1 ZINC000833547813 605056178 /nfs/dbraw/zinc/05/61/78/605056178.db2.gz XNFCTPAKPIJALQ-JTQLQIEISA-N -1 1 328.393 3.748 20 0 EHADMM CCc1ccc([C@H](C)C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC000833670505 605059506 /nfs/dbraw/zinc/05/95/06/605059506.db2.gz NCDKRNFXAZWCJF-NSHDSACASA-N -1 1 337.379 3.566 20 0 EHADMM C[C@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2cccnc2Cl)cc1 ZINC000825398672 605117852 /nfs/dbraw/zinc/11/78/52/605117852.db2.gz ZMWIVNQCWIHMBX-RYUDHWBXSA-N -1 1 333.819 3.914 20 0 EHADMM CC(C)(NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC000833461433 605235424 /nfs/dbraw/zinc/23/54/24/605235424.db2.gz WJURUXLTPBQHMW-UHFFFAOYSA-N -1 1 327.302 3.918 20 0 EHADMM CC(C)OC(=O)C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263444261 605268273 /nfs/dbraw/zinc/26/82/73/605268273.db2.gz XJXALCNFQHYEBB-SFHVURJKSA-N -1 1 341.407 3.557 20 0 EHADMM O=C([O-])Nc1ccc(CN2CCCCC[C@@H]2c2ccncc2)cn1 ZINC000834260323 605463110 /nfs/dbraw/zinc/46/31/10/605463110.db2.gz PPAMUTCNSBSUJR-MRXNPFEDSA-N -1 1 326.400 3.684 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000833813170 605601686 /nfs/dbraw/zinc/60/16/86/605601686.db2.gz NZTOQRDUDCBYSH-MNOVXSKESA-N -1 1 348.415 3.604 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000833814106 605768854 /nfs/dbraw/zinc/76/88/54/605768854.db2.gz RIASYMSIDBNUKA-HIFRSBDPSA-N -1 1 345.468 3.678 20 0 EHADMM O=C([O-])N1CCC([C@@H](NCc2ccoc2)c2ccc(F)cc2)CC1 ZINC000834071900 605982593 /nfs/dbraw/zinc/98/25/93/605982593.db2.gz ALEPIZOSRGITSP-KRWDZBQOSA-N -1 1 332.375 3.640 20 0 EHADMM O=C([O-])N1CCC([C@@H](NCc2ccco2)c2ccc(F)cc2)CC1 ZINC000834074829 605982910 /nfs/dbraw/zinc/98/29/10/605982910.db2.gz NJWFUBPDPPUXET-KRWDZBQOSA-N -1 1 332.375 3.640 20 0 EHADMM O=C([O-])Nc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cn1 ZINC000834259920 606022146 /nfs/dbraw/zinc/02/21/46/606022146.db2.gz IYUPRMGULGVLEX-CQSZACIVSA-N -1 1 347.802 3.828 20 0 EHADMM Cc1ccc([C@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000822233393 606449004 /nfs/dbraw/zinc/44/90/04/606449004.db2.gz NYMLGJUZMRKGIX-LLVKDONJSA-N -1 1 346.847 3.627 20 0 EHADMM Cc1ccc([C@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000822233393 606449006 /nfs/dbraw/zinc/44/90/06/606449006.db2.gz NYMLGJUZMRKGIX-LLVKDONJSA-N -1 1 346.847 3.627 20 0 EHADMM Clc1ccc([C@@H]2CCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822574371 606469111 /nfs/dbraw/zinc/46/91/11/606469111.db2.gz SWPCEMSRPCGOFC-LBPRGKRZSA-N -1 1 347.209 3.520 20 0 EHADMM Clc1ccc([C@@H]2CCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822574371 606469113 /nfs/dbraw/zinc/46/91/13/606469113.db2.gz SWPCEMSRPCGOFC-LBPRGKRZSA-N -1 1 347.209 3.520 20 0 EHADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000820055646 606528834 /nfs/dbraw/zinc/52/88/34/606528834.db2.gz JBGPLLCOBIKRDU-JTQLQIEISA-N -1 1 347.469 3.507 20 0 EHADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000820055646 606528835 /nfs/dbraw/zinc/52/88/35/606528835.db2.gz JBGPLLCOBIKRDU-JTQLQIEISA-N -1 1 347.469 3.507 20 0 EHADMM CC1(C)CN(c2snc(Cl)c2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000824811837 608178967 /nfs/dbraw/zinc/17/89/67/608178967.db2.gz DQRMXFMZQQZJMW-NSHDSACASA-N -1 1 346.847 3.564 20 0 EHADMM CC1(C)CN(c2snc(Cl)c2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000824811837 608178969 /nfs/dbraw/zinc/17/89/69/608178969.db2.gz DQRMXFMZQQZJMW-NSHDSACASA-N -1 1 346.847 3.564 20 0 EHADMM Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826267806 608390272 /nfs/dbraw/zinc/39/02/72/608390272.db2.gz XFQCQPIGILYAJW-UHFFFAOYSA-N -1 1 330.779 3.534 20 0 EHADMM Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826267806 608390274 /nfs/dbraw/zinc/39/02/74/608390274.db2.gz XFQCQPIGILYAJW-UHFFFAOYSA-N -1 1 330.779 3.534 20 0 EHADMM c1cc(C2CCCCC2)ccc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826514755 608400583 /nfs/dbraw/zinc/40/05/83/608400583.db2.gz BYRVMBSRLKUJNE-UHFFFAOYSA-N -1 1 338.440 3.856 20 0 EHADMM c1cc(C2CCCCC2)ccc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826514755 608400585 /nfs/dbraw/zinc/40/05/85/608400585.db2.gz BYRVMBSRLKUJNE-UHFFFAOYSA-N -1 1 338.440 3.856 20 0 EHADMM C[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824925732 609509333 /nfs/dbraw/zinc/50/93/33/609509333.db2.gz GIFUNCPTAJIUNK-NXEZZACHSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824925732 609509335 /nfs/dbraw/zinc/50/93/35/609509335.db2.gz GIFUNCPTAJIUNK-NXEZZACHSA-N -1 1 333.461 3.600 20 0 EHADMM FC(F)(F)CCc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822718842 946163923 /nfs/dbraw/zinc/16/39/23/946163923.db2.gz RTDRXRSLOLXYSS-UHFFFAOYSA-N -1 1 337.305 3.567 20 0 EHADMM FC(F)(F)CCc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822718842 946163930 /nfs/dbraw/zinc/16/39/30/946163930.db2.gz RTDRXRSLOLXYSS-UHFFFAOYSA-N -1 1 337.305 3.567 20 0 EHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2Br)C1 ZINC000263021031 950218595 /nfs/dbraw/zinc/21/85/95/950218595.db2.gz DZYVDZYDSIUWTJ-ONGXEEELSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])CCCC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001595025448 951346694 /nfs/dbraw/zinc/34/66/94/951346694.db2.gz RESLYHUDURJRFL-AWEZNQCLSA-N -1 1 349.818 3.525 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(OCc3ccccc3)CC2)c(F)c1 ZINC000383848178 971899158 /nfs/dbraw/zinc/89/91/58/971899158.db2.gz ODIZKRQTWIILQS-UHFFFAOYSA-N -1 1 343.398 3.705 20 0 EHADMM CC(C)(C)CN(CC(=O)[O-])Cc1c(F)cccc1Br ZINC000662225738 954395246 /nfs/dbraw/zinc/39/52/46/954395246.db2.gz NHYXQXTTXWFNCR-UHFFFAOYSA-N -1 1 332.213 3.521 20 0 EHADMM O=C([O-])[C@@H]1CCCCN1Cc1cccc(Cl)c1Br ZINC000719411239 955166994 /nfs/dbraw/zinc/16/69/94/955166994.db2.gz BZCZTGWUSRSQBF-NSHDSACASA-N -1 1 332.625 3.542 20 0 EHADMM CCc1nc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)co1 ZINC000153273446 1125464923 /nfs/dbraw/zinc/46/49/23/1125464923.db2.gz DGCYXBGZMXGRBY-UHFFFAOYSA-N -1 1 328.397 3.625 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccccc2OCC(F)(F)F)s1 ZINC000903677570 956857110 /nfs/dbraw/zinc/85/71/10/956857110.db2.gz SLKLIKPKKZVRFE-UHFFFAOYSA-N -1 1 345.342 3.677 20 0 EHADMM O=C([O-])[C@@H]1CN(Cc2ccc(F)c(Cl)c2Cl)C[C@H]1C1CC1 ZINC000904429579 956958909 /nfs/dbraw/zinc/95/89/09/956958909.db2.gz LHYVXONYCVBSAP-WDEREUQCSA-N -1 1 332.202 3.675 20 0 EHADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000460828160 1032067902 /nfs/dbraw/zinc/06/79/02/1032067902.db2.gz AIQKJGDOECUGKQ-UHFFFAOYSA-N -1 1 332.400 3.991 20 0 EHADMM O=C([O-])c1cccc(CC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000262262550 961603442 /nfs/dbraw/zinc/60/34/42/961603442.db2.gz XAVRQEXGAYWYFS-UHFFFAOYSA-N -1 1 349.390 3.710 20 0 EHADMM O=C([O-])[C@@H]1CN(C/C=C/c2ccc(F)cc2F)Cc2ccccc21 ZINC001574660801 962486078 /nfs/dbraw/zinc/48/60/78/962486078.db2.gz AVALEVZKKQETIC-NJELEJDNSA-N -1 1 329.346 3.662 20 0 EHADMM CCCN(Cc1ccc(C(=O)[O-])cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000263575000 962739479 /nfs/dbraw/zinc/73/94/79/962739479.db2.gz OGXNNRLYLSDTDF-OAHLLOKOSA-N -1 1 340.423 3.624 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)[nH]n2)cc1C ZINC001605231942 972983396 /nfs/dbraw/zinc/98/33/96/972983396.db2.gz RSIXYXRNOOSWDP-UHFFFAOYSA-N -1 1 335.363 3.644 20 0 EHADMM C[C@@H]1CCc2nc(CN[C@H](CCC(=O)[O-])c3ccccc3)sc2C1 ZINC000417605060 973963628 /nfs/dbraw/zinc/96/36/28/973963628.db2.gz XAAIDIXJGDPUOV-UKRRQHHQSA-N -1 1 344.480 3.964 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1F ZINC000426767882 974047375 /nfs/dbraw/zinc/04/73/75/974047375.db2.gz RMIDKAAPUALRCU-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1OCC ZINC000426767901 974048193 /nfs/dbraw/zinc/04/81/93/974048193.db2.gz RVWFLAUBNRGWNC-SFHVURJKSA-N -1 1 347.386 3.539 20 0 EHADMM COc1cccc(-c2csc(CN3CCC[C@H](CC(=O)[O-])C3)n2)c1 ZINC001604855117 974097609 /nfs/dbraw/zinc/09/76/09/974097609.db2.gz PLAPNQFZXQIAGV-CYBMUJFWSA-N -1 1 346.452 3.505 20 0 EHADMM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000519710020 974333949 /nfs/dbraw/zinc/33/39/49/974333949.db2.gz NDTJUMFZMGRHIJ-GJZGRUSLSA-N -1 1 346.254 3.866 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000553935158 974481411 /nfs/dbraw/zinc/48/14/11/974481411.db2.gz STSZWNDWAWLLTG-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1csc2ccccc21 ZINC000571826805 974737156 /nfs/dbraw/zinc/73/71/56/974737156.db2.gz QVVGXEXYHWYVOS-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM COc1ccccc1-c1nc(CN2CCC[C@](C)(C(=O)[O-])C2)cs1 ZINC000572728434 974752532 /nfs/dbraw/zinc/75/25/32/974752532.db2.gz OMITXZIJAZJSSJ-SFHVURJKSA-N -1 1 346.452 3.505 20 0 EHADMM CC(C)COC1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000574644340 974785662 /nfs/dbraw/zinc/78/56/62/974785662.db2.gz PWIAHRJKPROIAC-UHFFFAOYSA-N -1 1 325.836 3.675 20 0 EHADMM O=C([O-])CC1(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000575929197 974804234 /nfs/dbraw/zinc/80/42/34/974804234.db2.gz RWFMYXPENPCTHR-HNNXBMFYSA-N -1 1 341.411 3.519 20 0 EHADMM CCOC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000652394259 975520606 /nfs/dbraw/zinc/52/06/06/975520606.db2.gz SKTOZBLGGRVVOV-CQSZACIVSA-N -1 1 332.227 3.620 20 0 EHADMM CC(C)Oc1ccccc1[C@H](C)N[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001591795783 976002019 /nfs/dbraw/zinc/00/20/19/976002019.db2.gz KXMUMAQDSJQYNG-KGLIPLIRSA-N -1 1 328.412 3.979 20 0 EHADMM O=C([O-])CC[C@@H](NCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000669476292 976006382 /nfs/dbraw/zinc/00/63/82/976006382.db2.gz VEUGQBRUWIFNHN-CQSZACIVSA-N -1 1 330.453 3.718 20 0 EHADMM C[C@](Cc1ccc(Cl)cc1)(NCc1csc(Cl)n1)C(=O)[O-] ZINC001592840903 979610496 /nfs/dbraw/zinc/61/04/96/979610496.db2.gz TZOKNZFMABKJIT-CQSZACIVSA-N -1 1 345.251 3.626 20 0 EHADMM COCc1ccc([C@@H]2CCCN2Cc2ccc(C)c(C(=O)[O-])c2)o1 ZINC000872160064 980045603 /nfs/dbraw/zinc/04/56/03/980045603.db2.gz 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O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000901790635 980522881 /nfs/dbraw/zinc/52/28/81/980522881.db2.gz YQBVMPGFEZTUCR-AWEZNQCLSA-N -1 1 348.390 3.640 20 0 EHADMM CCc1oc(CNCc2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000902061876 980717195 /nfs/dbraw/zinc/71/71/95/980717195.db2.gz NUUJNLPSZRGNSY-UHFFFAOYSA-N -1 1 327.302 3.849 20 0 EHADMM Cc1cc(CN[C@@H](C)c2cccc(OC(F)F)c2)oc1C(=O)[O-] ZINC000902113857 980741316 /nfs/dbraw/zinc/74/13/16/980741316.db2.gz UUKXBNTWQCYHHN-JTQLQIEISA-N -1 1 325.311 3.738 20 0 EHADMM CC[C@@H](C)[C@H](C(=O)[O-])N1Cc2ccc(C)c(Br)c2C1 ZINC001594873385 982192565 /nfs/dbraw/zinc/19/25/65/982192565.db2.gz LXFFNVYPGJIWAH-YMTOWFKASA-N -1 1 326.234 3.572 20 0 EHADMM O=C(Cc1ccc(Br)s1)Nc1c([O-])cccc1F ZINC000092551648 1014861050 /nfs/dbraw/zinc/86/10/50/1014861050.db2.gz DKFYCALIXYNZPF-UHFFFAOYSA-N -1 1 330.178 3.537 20 0 EHADMM CCCN(CCC)c1ccc(NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cc1 ZINC001595880148 982887649 /nfs/dbraw/zinc/88/76/49/982887649.db2.gz 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329.396 3.716 20 0 EHADMM CSc1cc2c(cc1[N-]C(=O)c1sccc1F)OCCO2 ZINC000339689989 1015532626 /nfs/dbraw/zinc/53/26/26/1015532626.db2.gz DZLXOYFRSUYJEH-UHFFFAOYSA-N -1 1 325.386 3.633 20 0 EHADMM COc1cccc2cc([C@@H](C)NCc3cc(C(=O)[O-])c(C)n3C)oc21 ZINC001599692061 991085938 /nfs/dbraw/zinc/08/59/38/991085938.db2.gz IOELIPMWSLUPFZ-LLVKDONJSA-N -1 1 342.395 3.637 20 0 EHADMM COc1ccccc1[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1F ZINC001599703587 991258241 /nfs/dbraw/zinc/25/82/41/991258241.db2.gz HOHHUHMMJITAAY-QGZVFWFLSA-N -1 1 329.371 3.870 20 0 EHADMM CN(Cc1cc(C(=O)[O-])n(C)c1)Cc1cc(Cl)cc(Cl)c1 ZINC001598507971 992533022 /nfs/dbraw/zinc/53/30/22/992533022.db2.gz ZBYSBQFWOUEBBH-UHFFFAOYSA-N -1 1 327.211 3.662 20 0 EHADMM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cncc([O-])c1 ZINC000339880550 1015807529 /nfs/dbraw/zinc/80/75/29/1015807529.db2.gz QNWWYCZBXMVZKT-UHFFFAOYSA-N -1 1 331.803 3.683 20 0 EHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccns1 ZINC001593190803 994127904 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COc1ccc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccccc1OC ZINC001599500262 997104998 /nfs/dbraw/zinc/10/49/98/997104998.db2.gz NXASDTSYYHMFLR-QGZVFWFLSA-N -1 1 341.407 3.739 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])cs2)c(OC)c1 ZINC001599539428 997807567 /nfs/dbraw/zinc/80/75/67/997807567.db2.gz KHXYTNGKVHPBNM-INIZCTEOSA-N -1 1 347.436 3.801 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2nc(C)c3ccccc3n2)n1 ZINC000025479566 1016910235 /nfs/dbraw/zinc/91/02/35/1016910235.db2.gz VLZLSOQIKQDHEG-UHFFFAOYSA-N -1 1 326.425 3.679 20 0 EHADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])[nH]c2c1C(=O)CC(C)(C)C2 ZINC000340329976 1016953502 /nfs/dbraw/zinc/95/35/02/1016953502.db2.gz NTCLNZVRFDPRFA-UHFFFAOYSA-N -1 1 330.359 3.575 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000538258096 1032252702 /nfs/dbraw/zinc/25/27/02/1032252702.db2.gz RLOVYPBOZPRXBY-UHFFFAOYSA-N -1 1 330.384 3.930 20 0 EHADMM CCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1OCC ZINC000905077437 1032329840 /nfs/dbraw/zinc/32/98/40/1032329840.db2.gz WKDBBPLZLBWITH-VQHVLOKHSA-N -1 1 330.384 3.549 20 0 EHADMM C[C@H](CNC(=O)c1ccc2ccc(O)cc2c1[O-])CC(F)(F)F ZINC001626687376 1017303076 /nfs/dbraw/zinc/30/30/76/1017303076.db2.gz SIRFZTMOTNCOJN-VIFPVBQESA-N -1 1 327.302 3.569 20 0 EHADMM COc1ccc(C2(NC(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000597661173 1032595718 /nfs/dbraw/zinc/59/57/18/1032595718.db2.gz QTZIIYGCMSHYLN-UHFFFAOYSA-N -1 1 333.387 3.973 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCC(F)(F)CC1 ZINC000655663391 1017352716 /nfs/dbraw/zinc/35/27/16/1017352716.db2.gz FIEOMSKWRKNCKQ-MRVPVSSYSA-N -1 1 343.848 3.894 20 0 EHADMM [O-]c1ccc(-c2noc(CCCn3cnc4ccccc43)n2)cc1F ZINC000683592975 1017574445 /nfs/dbraw/zinc/57/44/45/1017574445.db2.gz CWODGOGNDWSRHW-UHFFFAOYSA-N -1 1 338.342 3.564 20 0 EHADMM CC(C)Oc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000613665132 1017665165 /nfs/dbraw/zinc/66/51/65/1017665165.db2.gz QWANOHDCFYHHPL-UHFFFAOYSA-N -1 1 337.379 3.822 20 0 EHADMM CCOc1cc(-c2noc([C@H]3CCCOCC3)n2)cc(Cl)c1[O-] ZINC000377479152 1017870036 /nfs/dbraw/zinc/87/00/36/1017870036.db2.gz OJMTUPDYJJKUCE-JTQLQIEISA-N -1 1 338.791 3.778 20 0 EHADMM CCOc1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000242606016 1017906548 /nfs/dbraw/zinc/90/65/48/1017906548.db2.gz CKXMTISPPFLEPJ-UHFFFAOYSA-N -1 1 325.817 3.681 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000549352039 1018478942 /nfs/dbraw/zinc/47/89/42/1018478942.db2.gz UKNBPVBQMDCFFX-UHFFFAOYSA-N -1 1 330.409 3.758 20 0 EHADMM O=S(=O)(Cc1cccc(F)c1)[N-]c1ncccc1-c1ccccc1 ZINC000092388890 1032774613 /nfs/dbraw/zinc/77/46/13/1032774613.db2.gz ICEBTVVIKGWEDW-UHFFFAOYSA-N -1 1 342.395 3.830 20 0 EHADMM Cc1oc(CN(C)CCOc2cccc3ccccc32)cc1C(=O)[O-] ZINC000580085757 1018622779 /nfs/dbraw/zinc/62/27/79/1018622779.db2.gz RRYCAUIHOMJCNQ-UHFFFAOYSA-N -1 1 339.391 3.950 20 0 EHADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(OCC)ccc1OCC ZINC000580151566 1018711370 /nfs/dbraw/zinc/71/13/70/1018711370.db2.gz UNRRMUMUVRBHLZ-CQSZACIVSA-N -1 1 329.462 3.804 20 0 EHADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)co1 ZINC000026540246 1019934125 /nfs/dbraw/zinc/93/41/25/1019934125.db2.gz TZBLIKWRYOQCRE-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM O=C(CCc1ncccn1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167444924 1020402721 /nfs/dbraw/zinc/40/27/21/1020402721.db2.gz PFRFXIHVUFOEFS-UHFFFAOYSA-N -1 1 327.771 3.560 20 0 EHADMM CCCc1nnc([N-]C(=O)c2c(CC)onc2-c2ccccc2)s1 ZINC000280610444 1020523491 /nfs/dbraw/zinc/52/34/91/1020523491.db2.gz OTPAXGNYBJMDKW-UHFFFAOYSA-N -1 1 342.424 3.960 20 0 EHADMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000656626415 1021057970 /nfs/dbraw/zinc/05/79/70/1021057970.db2.gz LSLSZKUZHIZUHA-CYBMUJFWSA-N -1 1 347.436 3.695 20 0 EHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)c(C)c1 ZINC000656634332 1021063896 /nfs/dbraw/zinc/06/38/96/1021063896.db2.gz UHPXYADQWOIJHB-UHFFFAOYSA-N -1 1 326.368 3.745 20 0 EHADMM O=C(Nc1cccc(OC2CCCC2)c1)c1csc(=NC2CC2)[n-]1 ZINC000607053837 1032956439 /nfs/dbraw/zinc/95/64/39/1032956439.db2.gz YLGQSDLQCXXHEP-UHFFFAOYSA-N -1 1 343.452 3.713 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1SCCc2ccccc21 ZINC000439117746 1021163340 /nfs/dbraw/zinc/16/33/40/1021163340.db2.gz KAFHBYWZLRVGAB-INIZCTEOSA-N -1 1 341.461 3.529 20 0 EHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1COc2ccccc21 ZINC000436785450 1021226937 /nfs/dbraw/zinc/22/69/37/1021226937.db2.gz FHTZYMAZRMBEES-FZKQIMNGSA-N -1 1 333.387 3.840 20 0 EHADMM C[C@@]1(C2CC2)CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCO1 ZINC000656757212 1021278159 /nfs/dbraw/zinc/27/81/59/1021278159.db2.gz MMBVPQOONJADHZ-SFHVURJKSA-N -1 1 349.427 3.740 20 0 EHADMM C[C@H](Oc1ccccc1NC(=O)c1ccc(O)cc1[O-])C(F)(F)F ZINC000436855105 1021280694 /nfs/dbraw/zinc/28/06/94/1021280694.db2.gz PEGKPGWWYJDIQU-VIFPVBQESA-N -1 1 341.285 3.680 20 0 EHADMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])c2ccccc2O1 ZINC000436844219 1021286887 /nfs/dbraw/zinc/28/68/87/1021286887.db2.gz MBLOMSXSRZNSDA-JTQLQIEISA-N -1 1 348.196 3.582 20 0 EHADMM CC(C)n1c(CNC(=O)c2cc(Cl)ccc2[O-])nc2ccccc21 ZINC000436841883 1021286938 /nfs/dbraw/zinc/28/69/38/1021286938.db2.gz BNKGGUXYNGGLGZ-UHFFFAOYSA-N -1 1 343.814 3.906 20 0 EHADMM NC(=O)c1cc(-c2csc(-c3ccc(F)c(F)c3)n2)ccc1[O-] ZINC000436856503 1021322152 /nfs/dbraw/zinc/32/21/52/1021322152.db2.gz SVQYMCADSAUXET-UHFFFAOYSA-N -1 1 332.331 3.560 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1F ZINC000507599903 1021390008 /nfs/dbraw/zinc/39/00/08/1021390008.db2.gz YARNHKJPVDJHGP-UHFFFAOYSA-N -1 1 343.379 3.982 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)ccc1F ZINC000507645757 1021414494 /nfs/dbraw/zinc/41/44/94/1021414494.db2.gz STGGCUDAPYKZLC-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CCCN(C(=O)c1ccc([O-])cc1F)[C@H]1CCCc2cccnc21 ZINC000436956412 1021421684 /nfs/dbraw/zinc/42/16/84/1021421684.db2.gz RBBFSBNNHSNISZ-KRWDZBQOSA-N -1 1 328.387 3.856 20 0 EHADMM COc1cccc(C[C@H](C)NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436969777 1021441029 /nfs/dbraw/zinc/44/10/29/1021441029.db2.gz AAODMPVXDTVBAR-AWEZNQCLSA-N -1 1 335.403 3.915 20 0 EHADMM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000437259618 1021680713 /nfs/dbraw/zinc/68/07/13/1021680713.db2.gz AYDMOAJHBZWULB-UHFFFAOYSA-N -1 1 338.816 3.785 20 0 EHADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccsc1 ZINC000506722080 1021836779 /nfs/dbraw/zinc/83/67/79/1021836779.db2.gz NFWUZJXPEYKHRP-UHFFFAOYSA-N -1 1 346.271 3.928 20 0 EHADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000440101148 1021953876 /nfs/dbraw/zinc/95/38/76/1021953876.db2.gz JEMKIFXRMVVEMQ-QWRGUYRKSA-N -1 1 329.450 3.672 20 0 EHADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000440122299 1021961739 /nfs/dbraw/zinc/96/17/39/1021961739.db2.gz VPIKVCPIMICNNW-UONOGXRCSA-N -1 1 339.420 3.894 20 0 EHADMM O=S(=O)([N-]C1CCC(C(F)F)CC1)c1cc(Cl)ccc1F ZINC000416569472 1021968389 /nfs/dbraw/zinc/96/83/89/1021968389.db2.gz YKEDJUMFMMSYKC-UHFFFAOYSA-N -1 1 341.782 3.581 20 0 EHADMM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473936277 1022352938 /nfs/dbraw/zinc/35/29/38/1022352938.db2.gz HPEIPYGFDOZOHI-ZETCQYMHSA-N -1 1 346.276 3.552 20 0 EHADMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473936428 1022361379 /nfs/dbraw/zinc/36/13/79/1022361379.db2.gz IKAISMKQHBIHSJ-SSDOTTSWSA-N -1 1 335.800 3.719 20 0 EHADMM O=c1cc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc[n-]1 ZINC000891763251 1022585972 /nfs/dbraw/zinc/58/59/72/1022585972.db2.gz SYVVHCOTMWXWJB-BQBZGAKWSA-N -1 1 329.244 3.504 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2[nH]nc(-c3ccccc3)c2C)s1 ZINC000536307318 1022646440 /nfs/dbraw/zinc/64/64/40/1022646440.db2.gz FHWLEIVTIROQTI-UHFFFAOYSA-N -1 1 347.465 3.810 20 0 EHADMM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc([O-])cc1F ZINC000188637700 1022870638 /nfs/dbraw/zinc/87/06/38/1022870638.db2.gz FEKLFVYWXPZETA-CYBMUJFWSA-N -1 1 327.277 3.607 20 0 EHADMM COc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)c(Cl)c1 ZINC000426685148 1022957679 /nfs/dbraw/zinc/95/76/79/1022957679.db2.gz GJTQGQZPFADHPP-CQSZACIVSA-N -1 1 325.817 3.716 20 0 EHADMM COC1(c2nc(-c3ccc([O-])cc3F)no2)CCC(F)(F)CC1 ZINC000664847870 1022990163 /nfs/dbraw/zinc/99/01/63/1022990163.db2.gz NKHNHUARHRXSKB-UHFFFAOYSA-N -1 1 328.290 3.632 20 0 EHADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c(OC)c1 ZINC000426797665 1023054041 /nfs/dbraw/zinc/05/40/41/1023054041.db2.gz BXOCLXFTZBEXLC-KRWDZBQOSA-N -1 1 349.814 3.581 20 0 EHADMM COc1ccc([C@@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])cc1F ZINC000426819142 1023064662 /nfs/dbraw/zinc/06/46/62/1023064662.db2.gz HKFYPOSAVJHJPD-OAHLLOKOSA-N -1 1 341.741 3.542 20 0 EHADMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2csc(=NC3CC3)[nH]2)C1 ZINC000426836171 1023082191 /nfs/dbraw/zinc/08/21/91/1023082191.db2.gz KUPIYVHCOZQXMA-BDJLRTHQSA-N -1 1 345.443 3.502 20 0 EHADMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000426836171 1023082201 /nfs/dbraw/zinc/08/22/01/1023082201.db2.gz KUPIYVHCOZQXMA-BDJLRTHQSA-N -1 1 345.443 3.502 20 0 EHADMM CC(C)Oc1cccc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000280813196 1023182355 /nfs/dbraw/zinc/18/23/55/1023182355.db2.gz QXKWSFPFYXTUNM-NSHDSACASA-N -1 1 335.350 3.949 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000439054128 1023243074 /nfs/dbraw/zinc/24/30/74/1023243074.db2.gz DSSNVUAGIBGYOI-DYESRHJHSA-N -1 1 345.402 3.625 20 0 EHADMM C[C@H](Cc1cccs1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000133399246 1023485092 /nfs/dbraw/zinc/48/50/92/1023485092.db2.gz LCIPZAWJPZBHQX-SECBINFHSA-N -1 1 340.242 3.577 20 0 EHADMM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1cc(Cl)ccn1 ZINC000588482065 1023913854 /nfs/dbraw/zinc/91/38/54/1023913854.db2.gz BVEZGJWDWPQOTA-ALCCZGGFSA-N -1 1 329.208 3.801 20 0 EHADMM O=C([O-])CCCCOc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000657202892 1024076017 /nfs/dbraw/zinc/07/60/17/1024076017.db2.gz BMVPGKAWUZVPPU-UHFFFAOYSA-N -1 1 328.290 3.729 20 0 EHADMM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000093901566 1024097779 /nfs/dbraw/zinc/09/77/79/1024097779.db2.gz MWNUTPBWMBMEJD-LBPRGKRZSA-N -1 1 334.416 3.754 20 0 EHADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1Cl)C(F)(F)F ZINC000443930966 1024137628 /nfs/dbraw/zinc/13/76/28/1024137628.db2.gz UPFQQIMMGAJREB-KCJUWKMLSA-N -1 1 329.771 3.595 20 0 EHADMM CC(C)c1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1Cl ZINC000351844432 1024155523 /nfs/dbraw/zinc/15/55/23/1024155523.db2.gz KRULZXNWDPWGHO-UHFFFAOYSA-N -1 1 349.818 3.572 20 0 EHADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])c(OC[C@@H]2CCCO2)c1 ZINC000094040023 1024164059 /nfs/dbraw/zinc/16/40/59/1024164059.db2.gz UESYHYOEMJSDQJ-AWEZNQCLSA-N -1 1 345.370 3.650 20 0 EHADMM CCOC[C@H](NCc1ccc(-c2cccc(Cl)c2)s1)C(=O)[O-] ZINC000417611302 1024168336 /nfs/dbraw/zinc/16/83/36/1024168336.db2.gz VIZIXDHHXJBQLY-AWEZNQCLSA-N -1 1 339.844 3.648 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000342135392 1024206497 /nfs/dbraw/zinc/20/64/97/1024206497.db2.gz KTVDJZGNQPRTNN-UHFFFAOYSA-N -1 1 335.363 3.598 20 0 EHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)o1 ZINC000277245269 1024311923 /nfs/dbraw/zinc/31/19/23/1024311923.db2.gz JMUAUXHGDLBJMP-AWEZNQCLSA-N -1 1 338.201 3.656 20 0 EHADMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000280956328 1024487067 /nfs/dbraw/zinc/48/70/67/1024487067.db2.gz JFPRGJZMVVLTQT-LBPRGKRZSA-N -1 1 346.452 3.683 20 0 EHADMM O=S(=O)([N-]c1cc(-c2ccccc2)n[nH]1)c1cccc(Cl)c1 ZINC000434965630 1024529163 /nfs/dbraw/zinc/52/91/63/1024529163.db2.gz UHGIYEGBIRAUGO-UHFFFAOYSA-N -1 1 333.800 3.531 20 0 EHADMM O=C(Nc1ccccc1CN1CCc2ccccc21)c1cncc([O-])c1 ZINC000346206263 1024530769 /nfs/dbraw/zinc/53/07/69/1024530769.db2.gz CBDSEYPFMUNMRX-UHFFFAOYSA-N -1 1 345.402 3.602 20 0 EHADMM O=S(=O)([N-]CC1(C2CC2)CC1)c1cc(Cl)sc1Cl ZINC000443717572 1024532159 /nfs/dbraw/zinc/53/21/59/1024532159.db2.gz JUVQKQZNHCVKJO-UHFFFAOYSA-N -1 1 326.270 3.523 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1-c1ccncc1 ZINC000427632506 1024552501 /nfs/dbraw/zinc/55/25/01/1024552501.db2.gz WJTFFMXOWWMSMQ-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)c3cc(C)ccc3Cl)[nH]c2c1 ZINC000427636203 1024578536 /nfs/dbraw/zinc/57/85/36/1024578536.db2.gz JTXLFNRGSCPRPJ-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM Cc1cccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cn2)c1C ZINC000346295620 1024612702 /nfs/dbraw/zinc/61/27/02/1024612702.db2.gz CKSNZGHHKVSJDZ-UHFFFAOYSA-N -1 1 335.363 3.844 20 0 EHADMM Cc1cc(Br)cc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000096744546 1024847683 /nfs/dbraw/zinc/84/76/83/1024847683.db2.gz KPLZJIMOMMVSHP-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM COCCc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000190875634 1024881739 /nfs/dbraw/zinc/88/17/39/1024881739.db2.gz FKVZHSPCIRKRIX-UHFFFAOYSA-N -1 1 339.313 3.852 20 0 EHADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1ccc(Cl)c2ccccc21 ZINC000474419640 1024924616 /nfs/dbraw/zinc/92/46/16/1024924616.db2.gz BRTIQEKZAOQBBK-UHFFFAOYSA-N -1 1 347.827 3.895 20 0 EHADMM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ncccc1O ZINC000428018479 1024933906 /nfs/dbraw/zinc/93/39/06/1024933906.db2.gz VCHHHPGYKFIVAL-UHFFFAOYSA-N -1 1 333.558 3.705 20 0 EHADMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000474426612 1024945584 /nfs/dbraw/zinc/94/55/84/1024945584.db2.gz MMLWZVWSGLQCSL-UHFFFAOYSA-N -1 1 348.255 3.716 20 0 EHADMM CC(C)CNC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1Cl ZINC000097207335 1025038368 /nfs/dbraw/zinc/03/83/68/1025038368.db2.gz MMMIMQOYEQTNRJ-UHFFFAOYSA-N -1 1 346.814 3.684 20 0 EHADMM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1c(F)cccc1Cl ZINC000435601864 1025041140 /nfs/dbraw/zinc/04/11/40/1025041140.db2.gz RGWLPXBHVJQSRU-JOCQHMNTSA-N -1 1 339.819 3.704 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000071977686 1025097334 /nfs/dbraw/zinc/09/73/34/1025097334.db2.gz YQBXRTZBHZLXPW-UHFFFAOYSA-N -1 1 345.342 3.905 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)o1 ZINC000443994836 1025158644 /nfs/dbraw/zinc/15/86/44/1025158644.db2.gz UCDLAFTWMUCNIH-CYBMUJFWSA-N -1 1 347.358 3.868 20 0 EHADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc1 ZINC000505719578 1025161435 /nfs/dbraw/zinc/16/14/35/1025161435.db2.gz LZNZVAPGFXFXKG-GFCCVEGCSA-N -1 1 343.379 3.608 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)C3(c4ccccc4F)CC3)[nH][n-]2)s1 ZINC000347041351 1025455754 /nfs/dbraw/zinc/45/57/54/1025455754.db2.gz SRMUXWAOJPGMCE-UHFFFAOYSA-N -1 1 341.411 3.678 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1 ZINC000451060953 1025483021 /nfs/dbraw/zinc/48/30/21/1025483021.db2.gz KMSARVYPVXQSEW-AWEZNQCLSA-N -1 1 349.477 3.713 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccc(COC)o1 ZINC000563282323 1025575645 /nfs/dbraw/zinc/57/56/45/1025575645.db2.gz JDSBOTOSLOJDSQ-CQSZACIVSA-N -1 1 333.384 3.617 20 0 EHADMM Cc1cc(Cl)c(C(C)C)cc1Oc1nc2c(cnn2C)c(=O)[n-]1 ZINC000329111105 1025609181 /nfs/dbraw/zinc/60/91/81/1025609181.db2.gz JXBIPNYFMYKCKV-UHFFFAOYSA-N -1 1 332.791 3.946 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000442957378 1025615064 /nfs/dbraw/zinc/61/50/64/1025615064.db2.gz NOTUUCQMMWXCJT-TZMCWYRMSA-N -1 1 325.836 3.999 20 0 EHADMM COc1cc(C(=O)NC[C@H](SC)C(C)(C)C)cc(Cl)c1[O-] ZINC000443120415 1025736288 /nfs/dbraw/zinc/73/62/88/1025736288.db2.gz OJLDHTSQPDEVFI-LBPRGKRZSA-N -1 1 331.865 3.562 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(Cl)cc2C)c1 ZINC000436503644 1025795581 /nfs/dbraw/zinc/79/55/81/1025795581.db2.gz HKOFBKKNQMLVNJ-UHFFFAOYSA-N -1 1 333.771 3.701 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C2(c3ccccc3C)CCC2)c1 ZINC000436507988 1025800239 /nfs/dbraw/zinc/80/02/39/1025800239.db2.gz YNEIWYPMMZUTSC-UHFFFAOYSA-N -1 1 339.391 3.548 20 0 EHADMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2c([O-])cccc2F)cc1 ZINC000436511343 1025809087 /nfs/dbraw/zinc/80/90/87/1025809087.db2.gz IGZIBAHAVDSJBP-KXBFYZLASA-N -1 1 343.398 3.737 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)Cc2cccc(F)c2)c1 ZINC000436515768 1025815765 /nfs/dbraw/zinc/81/57/65/1025815765.db2.gz SWOWUXHXKSDJLU-LBPRGKRZSA-N -1 1 345.370 3.525 20 0 EHADMM [O-]c1cccc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1Cl ZINC000353237956 1025862101 /nfs/dbraw/zinc/86/21/01/1025862101.db2.gz WKVLSUYUKQVBSW-CYBMUJFWSA-N -1 1 336.794 3.623 20 0 EHADMM CC[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1c(C)nn(C)c1C ZINC000436572533 1025906345 /nfs/dbraw/zinc/90/63/45/1025906345.db2.gz GXZHXNGPHVLGJF-KRWDZBQOSA-N -1 1 337.423 3.777 20 0 EHADMM COc1ccc2occ(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c2c1 ZINC000443320359 1025910116 /nfs/dbraw/zinc/91/01/16/1025910116.db2.gz ZHDUBUUIDRATHM-UHFFFAOYSA-N -1 1 349.346 3.789 20 0 EHADMM COC(=O)Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436595063 1025913473 /nfs/dbraw/zinc/91/34/73/1025913473.db2.gz HNFDHVXPGYYYGW-UHFFFAOYSA-N -1 1 335.359 3.513 20 0 EHADMM O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000436589376 1025930156 /nfs/dbraw/zinc/93/01/56/1025930156.db2.gz KIIFGQASXNDVKO-SUMWQHHRSA-N -1 1 331.799 3.553 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c1 ZINC000436617050 1025948323 /nfs/dbraw/zinc/94/83/23/1025948323.db2.gz JJVRTDJLZJWVIZ-LSDHHAIUSA-N -1 1 335.363 3.672 20 0 EHADMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc([O-])cc1 ZINC000436655931 1025982806 /nfs/dbraw/zinc/98/28/06/1025982806.db2.gz KQDBBOHLTFVNMP-UHFFFAOYSA-N -1 1 343.688 3.886 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1 ZINC000443408792 1025985592 /nfs/dbraw/zinc/98/55/92/1025985592.db2.gz UTHUUXLHHIYQPS-UHFFFAOYSA-N -1 1 341.816 3.548 20 0 EHADMM Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436643867 1025990494 /nfs/dbraw/zinc/99/04/94/1025990494.db2.gz ZAZORMGWUIGAOU-UHFFFAOYSA-N -1 1 346.386 3.508 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000443402598 1025998622 /nfs/dbraw/zinc/99/86/22/1025998622.db2.gz ZXSLLRZMRLUTSP-UHFFFAOYSA-N -1 1 329.780 3.679 20 0 EHADMM CC(C)(C)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000436672084 1026011262 /nfs/dbraw/zinc/01/12/62/1026011262.db2.gz LQEORKNZWZHRLU-QGZVFWFLSA-N -1 1 329.371 3.618 20 0 EHADMM CCc1cccnc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000443419082 1026015825 /nfs/dbraw/zinc/01/58/25/1026015825.db2.gz OVMHGHCTCWXCDT-UHFFFAOYSA-N -1 1 344.358 3.605 20 0 EHADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000436686388 1026043293 /nfs/dbraw/zinc/04/32/93/1026043293.db2.gz GWORZQWQXLORRF-VFZGTOFNSA-N -1 1 337.828 3.539 20 0 EHADMM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)C(=O)c1ccc([O-])cc1 ZINC000436688458 1026045515 /nfs/dbraw/zinc/04/55/15/1026045515.db2.gz OHQPKVIHNVPECA-KRWDZBQOSA-N -1 1 343.810 3.886 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c([O-])c1 ZINC000436696761 1026055198 /nfs/dbraw/zinc/05/51/98/1026055198.db2.gz JCQHVFSHIFUQRL-UHFFFAOYSA-N -1 1 338.407 3.660 20 0 EHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1c(F)cncc1F ZINC000436712889 1026081892 /nfs/dbraw/zinc/08/18/92/1026081892.db2.gz IAVMCSDTHDFLJS-SNVBAGLBSA-N -1 1 328.318 3.710 20 0 EHADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1c(F)cncc1F ZINC000436713856 1026083088 /nfs/dbraw/zinc/08/30/88/1026083088.db2.gz KKGSNHSTPLHIMU-SSDOTTSWSA-N -1 1 346.255 3.575 20 0 EHADMM C[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])CC12CCC2 ZINC000436722233 1026096264 /nfs/dbraw/zinc/09/62/64/1026096264.db2.gz NOMYIWFPNPKKCC-NSHDSACASA-N -1 1 338.245 3.807 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000436735941 1026101977 /nfs/dbraw/zinc/10/19/77/1026101977.db2.gz FZWUYFNLMVCZHL-MPKXVKKWSA-N -1 1 338.245 3.805 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436735641 1026102054 /nfs/dbraw/zinc/10/20/54/1026102054.db2.gz HDMLXARVBKDTOR-KRWDZBQOSA-N -1 1 339.288 3.520 20 0 EHADMM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000436747250 1026136103 /nfs/dbraw/zinc/13/61/03/1026136103.db2.gz LZEQGEUOZZUWEA-LBPRGKRZSA-N -1 1 348.805 3.536 20 0 EHADMM CC(C)(C)c1cnc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])o1 ZINC000436751684 1026139885 /nfs/dbraw/zinc/13/98/85/1026139885.db2.gz MSVSWTBHCPSCIF-UHFFFAOYSA-N -1 1 342.317 3.627 20 0 EHADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000451609875 1026140348 /nfs/dbraw/zinc/14/03/48/1026140348.db2.gz RHGUHLXVWSQCDJ-UHFFFAOYSA-N -1 1 335.347 3.594 20 0 EHADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000451610559 1026167949 /nfs/dbraw/zinc/16/79/49/1026167949.db2.gz GPRFDUXBNWDHBC-UHFFFAOYSA-N -1 1 337.775 3.718 20 0 EHADMM O=C(NCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869656 1026238877 /nfs/dbraw/zinc/23/88/77/1026238877.db2.gz WYGGRXDKVCXZHA-UHFFFAOYSA-N -1 1 329.705 3.994 20 0 EHADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(F)ccc3F)c2n1 ZINC000531008686 1026479891 /nfs/dbraw/zinc/47/98/91/1026479891.db2.gz LSGIQAFSUBESKQ-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM Cc1ccccc1CN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301170731 1026710614 /nfs/dbraw/zinc/71/06/14/1026710614.db2.gz JPSVSGOHZQHDRD-UHFFFAOYSA-N -1 1 334.423 3.806 20 0 EHADMM Cc1nc(-c2ccc(NCCc3cccc(F)c3)nc2)[n-]c(=O)c1C ZINC000301355446 1026773689 /nfs/dbraw/zinc/77/36/89/1026773689.db2.gz LXRGEKFBTHYFFU-UHFFFAOYSA-N -1 1 338.386 3.655 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000531332985 1026820975 /nfs/dbraw/zinc/82/09/75/1026820975.db2.gz HKLJKJRBCRGQMA-AWEZNQCLSA-N -1 1 347.333 3.716 20 0 EHADMM COc1cc(C(=O)NC[C@H]2CCCCC2(F)F)cc(Cl)c1[O-] ZINC000452721470 1026964543 /nfs/dbraw/zinc/96/45/43/1026964543.db2.gz VRUGPAZVSFXKGJ-SNVBAGLBSA-N -1 1 333.762 3.610 20 0 EHADMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531486399 1026979599 /nfs/dbraw/zinc/97/95/99/1026979599.db2.gz HFVHNOOMQXCWNQ-DZGCQCFKSA-N -1 1 339.482 3.775 20 0 EHADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc2ncccc2c1 ZINC000531527220 1027007606 /nfs/dbraw/zinc/00/76/06/1027007606.db2.gz LSXOBWPQIHJSIM-UHFFFAOYSA-N -1 1 335.388 3.584 20 0 EHADMM CC(C)(C)c1nc(=N[C@@H](CN)c2ccc3ccccc3c2)s[n-]1 ZINC000420244723 1027415204 /nfs/dbraw/zinc/41/52/04/1027415204.db2.gz LAWQVDUJUGVHJU-HNNXBMFYSA-N -1 1 326.469 3.523 20 0 EHADMM Cc1nc(-c2ccc(N3CCC[C@@H](C(C)C)CC3)nc2)[n-]c(=O)c1C ZINC000078261591 1027574216 /nfs/dbraw/zinc/57/42/16/1027574216.db2.gz RXHJDOAXFLYEOS-MRXNPFEDSA-N -1 1 340.471 3.711 20 0 EHADMM Cc1cccc([C@@H](C)CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000078303033 1027631123 /nfs/dbraw/zinc/63/11/23/1027631123.db2.gz FFTXYPFJAMZXLG-AWEZNQCLSA-N -1 1 348.450 3.973 20 0 EHADMM Cc1cc(Br)c(CN(C)CCCC(=O)[O-])cc1Cl ZINC000414643825 1027657832 /nfs/dbraw/zinc/65/78/32/1027657832.db2.gz YLFFORZSNOEKLY-UHFFFAOYSA-N -1 1 334.641 3.708 20 0 EHADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2)co1 ZINC000614781937 1027672361 /nfs/dbraw/zinc/67/23/61/1027672361.db2.gz JFYVVRQGYBRSNG-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CCc1ccc(C(=O)Nc2nc3cc(F)c(Cl)cc3[nH]2)c([O-])c1 ZINC001167622357 1027839726 /nfs/dbraw/zinc/83/97/26/1027839726.db2.gz JAUMOKLGEPZFSS-UHFFFAOYSA-N -1 1 333.750 3.876 20 0 EHADMM CSc1nc(C(=O)Nc2ccc(Cl)cc2[O-])c2ccccn12 ZINC000533618476 1028162452 /nfs/dbraw/zinc/16/24/52/1028162452.db2.gz NAMHMEXXGWJDOP-UHFFFAOYSA-N -1 1 333.800 3.668 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1 ZINC000614843664 1028170014 /nfs/dbraw/zinc/17/00/14/1028170014.db2.gz JCMRKZOWTQEQJZ-UHFFFAOYSA-N -1 1 349.452 3.921 20 0 EHADMM Cc1cc(C)n(-c2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2)n1 ZINC000342951769 1028326545 /nfs/dbraw/zinc/32/65/45/1028326545.db2.gz MFUHJPXZJMCQRO-UHFFFAOYSA-N -1 1 343.333 3.725 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2cccc(C(C)C)c2)c1 ZINC000121978584 1028526505 /nfs/dbraw/zinc/52/65/05/1028526505.db2.gz DZRAVBYDDTXNCL-UHFFFAOYSA-N -1 1 326.396 3.751 20 0 EHADMM O=C([O-])c1cc2cc(NC(=O)c3cccc4cn[nH]c43)ccc2s1 ZINC000238005467 1028673201 /nfs/dbraw/zinc/67/32/01/1028673201.db2.gz FDTPBUXRILMVTJ-UHFFFAOYSA-N -1 1 337.360 3.728 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1c(F)cccc1F)C1CCCC1 ZINC000153761654 1028700045 /nfs/dbraw/zinc/70/00/45/1028700045.db2.gz VUKVLRWJJYPRMF-UHFFFAOYSA-N -1 1 332.350 3.650 20 0 EHADMM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN(C)C[C@@H](C)C(=O)[O-] ZINC000840999215 1028717287 /nfs/dbraw/zinc/71/72/87/1028717287.db2.gz PYTBNDOFGMRKER-CYBMUJFWSA-N -1 1 349.862 3.802 20 0 EHADMM CO[C@H](C)c1nc(=NCCCOc2ccc(Cl)cc2C)s[n-]1 ZINC000509669188 1028731328 /nfs/dbraw/zinc/73/13/28/1028731328.db2.gz YXWVWHKHXREDSB-LLVKDONJSA-N -1 1 341.864 3.510 20 0 EHADMM CCOc1cc(-c2noc(CCCOC(C)C)n2)cc(Cl)c1[O-] ZINC000445425796 1028770615 /nfs/dbraw/zinc/77/06/15/1028770615.db2.gz GGTOPXGSHIINSR-UHFFFAOYSA-N -1 1 340.807 3.852 20 0 EHADMM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000424114707 1028813303 /nfs/dbraw/zinc/81/33/03/1028813303.db2.gz SACKODWQOBFSSZ-QGZVFWFLSA-N -1 1 347.418 3.537 20 0 EHADMM COc1cc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)ccc1F ZINC000445470129 1028813306 /nfs/dbraw/zinc/81/33/06/1028813306.db2.gz DBNXHHJSORKZKX-CLTKARDFSA-N -1 1 330.290 3.899 20 0 EHADMM [O-]c1ccc(-c2noc(CCc3nc4ccccc4o3)n2)c(F)c1 ZINC000445455948 1028824296 /nfs/dbraw/zinc/82/42/96/1028824296.db2.gz MHHFJDGATDMZKC-UHFFFAOYSA-N -1 1 325.299 3.508 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cccc([C@H]4CCOC4)c3)n2)cc1F ZINC000445477641 1028835767 /nfs/dbraw/zinc/83/57/67/1028835767.db2.gz OHIFBFPBVGECQI-AWEZNQCLSA-N -1 1 326.327 3.752 20 0 EHADMM O=C(CCc1nc(-c2ccc([O-])c(F)c2)no1)c1ccc(F)cc1 ZINC000445482747 1028839629 /nfs/dbraw/zinc/83/96/29/1028839629.db2.gz QAJFZLKSEJFQMW-UHFFFAOYSA-N -1 1 330.290 3.536 20 0 EHADMM COc1ccc(C(F)(F)c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445479988 1028840864 /nfs/dbraw/zinc/84/08/64/1028840864.db2.gz XQABOABDKQTQAP-UHFFFAOYSA-N -1 1 336.269 3.730 20 0 EHADMM [O-]c1c(-c2nc(-c3cnc4ccccn43)no2)ccc2ccccc21 ZINC000445577838 1028962155 /nfs/dbraw/zinc/96/21/55/1028962155.db2.gz XWQDVRMVQJKSDO-UHFFFAOYSA-N -1 1 328.331 3.910 20 0 EHADMM CSc1nnc(-c2noc(-c3ccc4ccccc4c3[O-])n2)s1 ZINC000445609053 1028971807 /nfs/dbraw/zinc/97/18/07/1028971807.db2.gz UQBQAVZBDZTKNN-UHFFFAOYSA-N -1 1 342.405 3.836 20 0 EHADMM CCSCCCc1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000445769146 1029104830 /nfs/dbraw/zinc/10/48/30/1029104830.db2.gz QDKSEEPIRHYUFF-UHFFFAOYSA-N -1 1 328.821 3.790 20 0 EHADMM CSc1nsc([N-]C(=O)c2occc2COc2ccccc2)n1 ZINC000078390336 1029308565 /nfs/dbraw/zinc/30/85/65/1029308565.db2.gz TZUBYNMNKFYJMU-UHFFFAOYSA-N -1 1 347.421 3.684 20 0 EHADMM CSc1nsc([N-]C(=O)c2csc(-c3ccccc3)n2)n1 ZINC000078427661 1029317282 /nfs/dbraw/zinc/31/72/82/1029317282.db2.gz DGGPTDXBUGPPGA-UHFFFAOYSA-N -1 1 334.451 3.636 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3C[C@H]3Cc3ccccc3)nc2)[n-]c(=O)c1C ZINC000524688782 1029446261 /nfs/dbraw/zinc/44/62/61/1029446261.db2.gz QPRPLYAJGCDQII-QZTJIDSGSA-N -1 1 346.434 3.904 20 0 EHADMM Cc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1ccccc1N ZINC001211986661 1029558678 /nfs/dbraw/zinc/55/86/78/1029558678.db2.gz RQLPXPGBUQGSPG-UHFFFAOYSA-N -1 1 331.224 3.685 20 0 EHADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H]1CCc1ccccc1 ZINC000079407908 1029638477 /nfs/dbraw/zinc/63/84/77/1029638477.db2.gz GTWJSPVACMZJCT-MRXNPFEDSA-N -1 1 347.418 3.573 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000525020994 1029654014 /nfs/dbraw/zinc/65/40/14/1029654014.db2.gz RNGRVUGQJWCVDB-UHFFFAOYSA-N -1 1 326.421 3.988 20 0 EHADMM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263034919 1029659344 /nfs/dbraw/zinc/65/93/44/1029659344.db2.gz BQPINLSCBUAXFS-HZPDHXFCSA-N -1 1 346.471 3.714 20 0 EHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1csc(-c2ccccn2)n1 ZINC000928787426 1029687037 /nfs/dbraw/zinc/68/70/37/1029687037.db2.gz XVRRBXCMNVQJJZ-UHFFFAOYSA-N -1 1 328.397 3.877 20 0 EHADMM Cc1nc(CC(C)C)c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)s1 ZINC000446731376 1029765790 /nfs/dbraw/zinc/76/57/90/1029765790.db2.gz HPHWIAUNOOOLSH-UHFFFAOYSA-N -1 1 346.481 3.776 20 0 EHADMM CC(C)CCOC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000193359518 1029843061 /nfs/dbraw/zinc/84/30/61/1029843061.db2.gz VKVUMMRBMPBITI-UHFFFAOYSA-N -1 1 325.836 3.713 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1C ZINC000058190489 1029937667 /nfs/dbraw/zinc/93/76/67/1029937667.db2.gz RVYILVJXUXEENP-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM CCOc1cc([N-]S(=O)(=O)c2cc(C)sc2C)ccc1C ZINC000555973775 1029990213 /nfs/dbraw/zinc/99/02/13/1029990213.db2.gz FARXESAGKXXYMY-UHFFFAOYSA-N -1 1 325.455 3.873 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c2cccnc12 ZINC000481854973 1030048038 /nfs/dbraw/zinc/04/80/38/1030048038.db2.gz DHHGCWMZRXYRNV-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC000481869392 1030074681 /nfs/dbraw/zinc/07/46/81/1030074681.db2.gz OUSMERDGOZVJDK-UHFFFAOYSA-N -1 1 346.496 3.987 20 0 EHADMM Cc1cc(Nc2ccc(F)c(Br)c2[O-])ccc1CO ZINC001211590801 1030276350 /nfs/dbraw/zinc/27/63/50/1030276350.db2.gz YLRJKAFPBVHBSO-UHFFFAOYSA-N -1 1 326.165 3.838 20 0 EHADMM O=C(NCCc1cccc2ccccc21)c1c(F)ccc([O-])c1F ZINC000536101957 1030432161 /nfs/dbraw/zinc/43/21/61/1030432161.db2.gz GMYHTCZBNIODTH-UHFFFAOYSA-N -1 1 327.330 3.796 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1csc(Cc2ccc(F)cc2)n1 ZINC000532267200 1030515670 /nfs/dbraw/zinc/51/56/70/1030515670.db2.gz KNSYLSJLCQCDAP-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM CC1(C)CCN(C(=O)c2ccc(Br)cc2[O-])CCS1 ZINC000228670529 1030583949 /nfs/dbraw/zinc/58/39/49/1030583949.db2.gz AEACBGMYJYOFIN-UHFFFAOYSA-N -1 1 344.274 3.512 20 0 EHADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)co1 ZINC000320979305 1030776154 /nfs/dbraw/zinc/77/61/54/1030776154.db2.gz PPOXMMMQKCATTP-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM CC(C)c1ncc2c(n1)CCN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000527618445 1031040658 /nfs/dbraw/zinc/04/06/58/1031040658.db2.gz IQHXWSPCRTXLJZ-UHFFFAOYSA-N -1 1 347.418 3.657 20 0 EHADMM Cc1cnc(C2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)s1 ZINC000278514448 1031184887 /nfs/dbraw/zinc/18/48/87/1031184887.db2.gz MJWASLMZQHNZGX-UHFFFAOYSA-N -1 1 336.844 3.830 20 0 EHADMM CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccccc2F)cc1F ZINC000904045108 1031664912 /nfs/dbraw/zinc/66/49/12/1031664912.db2.gz GVEQTKNJVJFNBF-MRXNPFEDSA-N -1 1 335.350 3.669 20 0 EHADMM COC(=O)c1cnc(S[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)[n-]1 ZINC000484562394 1031743634 /nfs/dbraw/zinc/74/36/34/1031743634.db2.gz KRIJLIBQRVLPKU-LLVKDONJSA-N -1 1 346.452 3.857 20 0 EHADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000484562394 1031743647 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CCc1cc(=O)[n-]c(S[C@H](C)c2cccc(Br)c2)n1 ZINC000195064820 1031999334 /nfs/dbraw/zinc/99/93/34/1031999334.db2.gz XXYCLKKDKBANBS-SECBINFHSA-N -1 1 339.258 3.948 20 0 EHADMM O=C(OCc1csc(-c2ccco2)n1)c1c([O-])cc(F)cc1F ZINC000063543588 1033442314 /nfs/dbraw/zinc/44/23/14/1033442314.db2.gz FCWROCYWWRQTEP-UHFFFAOYSA-N -1 1 337.303 3.744 20 0 EHADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2n[nH]c3cc(O)ccc32)o1 ZINC000615137550 1033487536 /nfs/dbraw/zinc/48/75/36/1033487536.db2.gz MUKLWFNQPFWJLM-YGRLFVJLSA-N -1 1 325.368 3.556 20 0 EHADMM CCc1nc(SCC(=O)c2ccc(F)c(Cl)c2)[n-]c(=O)c1C ZINC000574824336 1033575723 /nfs/dbraw/zinc/57/57/23/1033575723.db2.gz SPDXCCJHGSQMFZ-UHFFFAOYSA-N -1 1 340.807 3.821 20 0 EHADMM CCOc1cc(/C=C(\C(=O)OC)c2ccncc2)cc(Cl)c1[O-] ZINC000170812893 1033677156 /nfs/dbraw/zinc/67/71/56/1033677156.db2.gz POPWCMWJTSHQFD-JYRVWZFOSA-N -1 1 333.771 3.553 20 0 EHADMM COc1ccc(C)cc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000599124370 1033745742 /nfs/dbraw/zinc/74/57/42/1033745742.db2.gz 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3.599 20 0 EHADMM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(CCCl)cc1 ZINC000227943001 1034364664 /nfs/dbraw/zinc/36/46/64/1034364664.db2.gz URHCPFCFQMADSZ-UHFFFAOYSA-N -1 1 345.251 3.626 20 0 EHADMM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000601365753 1034470382 /nfs/dbraw/zinc/47/03/82/1034470382.db2.gz WTNSZFIPRGGMOR-UWVGGRQHSA-N -1 1 339.429 3.560 20 0 EHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCCN1Cc1ccccc1 ZINC000456781916 1034727757 /nfs/dbraw/zinc/72/77/57/1034727757.db2.gz KCBTVENWLQFRNY-HNNXBMFYSA-N -1 1 346.377 3.664 20 0 EHADMM O=C(COc1ccc2c(c1)CCCC2)Nc1ccc([O-])c(F)c1F ZINC000456787544 1034731753 /nfs/dbraw/zinc/73/17/53/1034731753.db2.gz PTFSPUNDXWHNKG-UHFFFAOYSA-N -1 1 333.334 3.567 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000529906977 1034738954 /nfs/dbraw/zinc/73/89/54/1034738954.db2.gz RONOTOWZVAKDDY-HXUWFJFHSA-N -1 1 341.382 3.531 20 0 EHADMM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000456837702 1034783881 /nfs/dbraw/zinc/78/38/81/1034783881.db2.gz BSWDSYRVHYEYMR-QWHCGFSZSA-N -1 1 337.489 3.549 20 0 EHADMM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000375898936 1034871228 /nfs/dbraw/zinc/87/12/28/1034871228.db2.gz ZAXJBDZOLLPHKD-KDOFPFPSSA-N -1 1 347.418 3.537 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])[C@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000530005779 1034872473 /nfs/dbraw/zinc/87/24/73/1034872473.db2.gz NZBBGDKDYAWDMI-SFHVURJKSA-N -1 1 349.789 3.773 20 0 EHADMM O=C([O-])c1ccc(F)c2c1CN(CCOc1cccc(Cl)c1)CC2 ZINC000530167314 1035016339 /nfs/dbraw/zinc/01/63/39/1035016339.db2.gz CQRJTIBAKQSQOD-UHFFFAOYSA-N -1 1 349.789 3.614 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CCC=C(c2ccco2)C1 ZINC000376035352 1035159402 /nfs/dbraw/zinc/15/94/02/1035159402.db2.gz BHIDXXIMCYWYTM-UHFFFAOYSA-N -1 1 348.196 3.677 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000066315538 1035370808 /nfs/dbraw/zinc/37/08/08/1035370808.db2.gz MCMHVCPBRYBZAD-VQTJNVASSA-N -1 1 349.430 3.617 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000185921546 1035541794 /nfs/dbraw/zinc/54/17/94/1035541794.db2.gz VNQHEQRGACMFOE-UHFFFAOYSA-N -1 1 348.443 3.659 20 0 EHADMM Cc1nc(SCC(=O)Nc2ccccc2C(C)C)[n-]c(=O)c1C ZINC000540717257 1035606379 /nfs/dbraw/zinc/60/63/79/1035606379.db2.gz GCPJWPKFJQSIRS-UHFFFAOYSA-N -1 1 331.441 3.653 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(C)c1 ZINC000055687815 1035655925 /nfs/dbraw/zinc/65/59/25/1035655925.db2.gz XUAWTKMTSNOQNJ-UHFFFAOYSA-N -1 1 340.832 3.633 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C\c2cscn2)c1 ZINC000492360436 1035700322 /nfs/dbraw/zinc/70/03/22/1035700322.db2.gz UEKPTWQWFSHMJC-IHWYPQMZSA-N -1 1 339.214 3.572 20 0 EHADMM O=C(Nc1cnc(C2CC2)nc1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000669949473 1035710842 /nfs/dbraw/zinc/71/08/42/1035710842.db2.gz LMEXYVQPADBEFR-UHFFFAOYSA-N -1 1 340.770 3.514 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc3c(c2)COC3)cc(Cl)c1[O-] ZINC000186983437 1035756646 /nfs/dbraw/zinc/75/66/46/1035756646.db2.gz FPQLMWFATLHDEJ-UHFFFAOYSA-N -1 1 333.771 3.727 20 0 EHADMM COc1ccc(-c2nc(CSc3ccc(F)cc3)no2)c([O-])c1 ZINC000321509902 1035909496 /nfs/dbraw/zinc/90/94/96/1035909496.db2.gz HSBIHNGJEMBUFW-UHFFFAOYSA-N -1 1 332.356 3.882 20 0 EHADMM O=C(N[C@H]1CCC(F)(F)C1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000669956258 1036044527 /nfs/dbraw/zinc/04/45/27/1036044527.db2.gz UYUZBYILKCQTBR-VIFPVBQESA-N -1 1 326.730 3.511 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1 ZINC000174772148 1036085253 /nfs/dbraw/zinc/08/52/53/1036085253.db2.gz SPNOEJZRXBLKCS-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM CCCC(=C([O-])Nc1nc(-c2cccnc2)ns1)c1ccccc1 ZINC000535175938 1036139185 /nfs/dbraw/zinc/13/91/85/1036139185.db2.gz UJGMCICKNUIOCX-HNNXBMFYSA-N -1 1 338.436 3.544 20 0 EHADMM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1cccc(F)c1 ZINC000175040622 1036215652 /nfs/dbraw/zinc/21/56/52/1036215652.db2.gz MVISBKMZSPRIDD-UHFFFAOYSA-N -1 1 339.363 3.697 20 0 EHADMM O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1ccc([O-])cc1 ZINC000063927202 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CCOc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000057125781 1036692453 /nfs/dbraw/zinc/69/24/53/1036692453.db2.gz MXQKBABBXSTBIA-KHPPLWFESA-N -1 1 342.420 3.678 20 0 EHADMM COc1ccc(-c2nsc([N-]C(=O)c3ccc(Cl)o3)n2)cc1 ZINC000103035195 1036807865 /nfs/dbraw/zinc/80/78/65/1036807865.db2.gz QPGKOZOKHIPLPJ-UHFFFAOYSA-N -1 1 335.772 3.712 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(C)(C)c1ccccc1 ZINC000590299611 1036826888 /nfs/dbraw/zinc/82/68/88/1036826888.db2.gz VBZIVXYADGNYQD-GFCCVEGCSA-N -1 1 339.407 3.609 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000590399138 1036864399 /nfs/dbraw/zinc/86/43/99/1036864399.db2.gz WXQBGSLJZSSBFR-UHFFFAOYSA-N -1 1 346.239 3.602 20 0 EHADMM CSCC1CCC([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000590759746 1037025772 /nfs/dbraw/zinc/02/57/72/1037025772.db2.gz VLFWMILTBFIQJE-UHFFFAOYSA-N -1 1 339.482 3.633 20 0 EHADMM CCCc1nc2ccccc2n1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000539864318 1037302667 /nfs/dbraw/zinc/30/26/67/1037302667.db2.gz 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1128225260 /nfs/dbraw/zinc/22/52/60/1128225260.db2.gz OVNQUBXTAWNHNB-SSDOTTSWSA-N -1 1 348.350 3.780 20 0 EHADMM O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000111668445 1128345598 /nfs/dbraw/zinc/34/55/98/1128345598.db2.gz HSRQOPKOUIWULD-UHFFFAOYSA-N -1 1 327.714 3.828 20 0 EHADMM O=C(OCC(=O)c1ccc([O-])cc1O)c1cc(Cl)sc1Cl ZINC000053361178 1128415441 /nfs/dbraw/zinc/41/54/41/1128415441.db2.gz JAVXYXBABRDVQA-UHFFFAOYSA-N -1 1 347.175 3.506 20 0 EHADMM CCOc1cc(-c2noc([C@@H](OCC)C3CC3)n2)cc(Cl)c1[O-] ZINC000624574551 1128396767 /nfs/dbraw/zinc/39/67/67/1128396767.db2.gz QRUZJICXCYZCCC-AWEZNQCLSA-N -1 1 338.791 3.982 20 0 EHADMM Cc1ccc(OCc2nc(-c3ccc([O-])c(C(N)=O)c3)cs2)cc1 ZINC000055049899 1128501315 /nfs/dbraw/zinc/50/13/15/1128501315.db2.gz RXROELWRSATDFZ-UHFFFAOYSA-N -1 1 340.404 3.502 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1F ZINC000055619065 1128525146 /nfs/dbraw/zinc/52/51/46/1128525146.db2.gz MAOBHFBSKOCDKH-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000006902934 1128830729 /nfs/dbraw/zinc/83/07/29/1128830729.db2.gz DVDRHZQXSOUBLR-UHFFFAOYSA-N -1 1 331.437 3.924 20 0 EHADMM O=C(Nc1ccc2occc(=O)c2c1)c1cc2sccc2c([O-])c1 ZINC001648944929 1120243078 /nfs/dbraw/zinc/24/30/78/1120243078.db2.gz OGPXIENVCNHTMD-UHFFFAOYSA-N -1 1 337.356 3.966 20 0 EHADMM CC[C@H](NCC(C)=Cc1ccc(Cl)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904066091 1120352134 /nfs/dbraw/zinc/35/21/34/1120352134.db2.gz XHNSBYCSNVHDHU-MSKHEQNASA-N -1 1 333.819 3.906 20 0 EHADMM CC1(C)CN(C(=O)c2csc(=NC3CC3)[n-]2)c2cccc(Cl)c21 ZINC000494291070 1120528244 /nfs/dbraw/zinc/52/82/44/1120528244.db2.gz SAKKNRGYSHAFHY-UHFFFAOYSA-N -1 1 347.871 3.731 20 0 EHADMM CC[C@@H]1CCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494552980 1120601092 /nfs/dbraw/zinc/60/10/92/1120601092.db2.gz BWPKSDATCGABRJ-CYBMUJFWSA-N -1 1 334.416 3.754 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccnc1OCC(F)F ZINC000192240166 1120727346 /nfs/dbraw/zinc/72/73/46/1120727346.db2.gz ZAAXYKVGQYHWNI-UHFFFAOYSA-N -1 1 343.717 3.729 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)n[nH]1 ZINC000194605832 1120851363 /nfs/dbraw/zinc/85/13/63/1120851363.db2.gz CWZAKYGJNYTOTD-UHFFFAOYSA-N -1 1 348.255 3.782 20 0 EHADMM Cc1cnc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c([O-])c1 ZINC000494905214 1120898907 /nfs/dbraw/zinc/89/89/07/1120898907.db2.gz AZQWDCOVTBPMNK-IBGZPJMESA-N -1 1 344.414 3.884 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCCc2ccccc2C1 ZINC000231331386 1121028128 /nfs/dbraw/zinc/02/81/28/1121028128.db2.gz HOQGPGQJYAZCOO-UHFFFAOYSA-N -1 1 346.224 3.743 20 0 EHADMM C[C@H]1CC(NC(=O)c2ccc(Br)c([O-])c2)C[C@H](C)C1 ZINC000231348232 1121030162 /nfs/dbraw/zinc/03/01/62/1121030162.db2.gz APDFQXRYQSSMFS-NXEZZACHSA-N -1 1 326.234 3.709 20 0 EHADMM CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000495287636 1121033550 /nfs/dbraw/zinc/03/35/50/1121033550.db2.gz ZNHUTQKGUOHHAP-UHFFFAOYSA-N -1 1 342.823 3.679 20 0 EHADMM CC(C)c1cccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000470454088 1121538467 /nfs/dbraw/zinc/53/84/67/1121538467.db2.gz ZCMJEYXYNWIANS-UHFFFAOYSA-N -1 1 343.452 3.914 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000470455773 1121572985 /nfs/dbraw/zinc/57/29/85/1121572985.db2.gz ORLWAXMLXFVWQV-UHFFFAOYSA-N -1 1 337.416 3.959 20 0 EHADMM CN(Cc1ccc(F)cc1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000915870674 1121714624 /nfs/dbraw/zinc/71/46/24/1121714624.db2.gz UQKJFCYDPFPJAW-UHFFFAOYSA-N -1 1 347.773 3.923 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1F ZINC000055682776 1121856567 /nfs/dbraw/zinc/85/65/67/1121856567.db2.gz JMNMRSOTKXWLHK-UHFFFAOYSA-N -1 1 349.358 3.927 20 0 EHADMM CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)c1ccc([O-])cc1 ZINC000672667941 1129040243 /nfs/dbraw/zinc/04/02/43/1129040243.db2.gz GOIXAMYSKAGVEH-UHFFFAOYSA-N -1 1 338.190 3.540 20 0 EHADMM Cc1nccn1-c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000916661001 1122246558 /nfs/dbraw/zinc/24/65/58/1122246558.db2.gz RPWUKBLOGFZQDF-UHFFFAOYSA-N -1 1 344.374 3.687 20 0 EHADMM Cc1[n-]n(-c2nc(C)nc3sc(-c4ccccc4)cc32)c(=O)c1F ZINC000917347732 1122583799 /nfs/dbraw/zinc/58/37/99/1122583799.db2.gz KBOKWNRWPYWQLY-AWEZNQCLSA-N -1 1 340.383 3.727 20 0 EHADMM CC[C@H](C)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(=O)OC ZINC000917467795 1122615862 /nfs/dbraw/zinc/61/58/62/1122615862.db2.gz GXBFNCQQNJVZQL-NHYWBVRUSA-N -1 1 346.452 3.837 20 0 EHADMM COc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)cc2ccccc21 ZINC000129615103 1122811147 /nfs/dbraw/zinc/81/11/47/1122811147.db2.gz KYOGTPRQBIOEHF-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM Cc1nc(SC[C@@H]2CC[C@H](C(F)(F)F)O2)[n-]c(=O)c1C1CC1 ZINC000918464322 1122814226 /nfs/dbraw/zinc/81/42/26/1122814226.db2.gz ZHTHCGNVNSHPQJ-VHSXEESVSA-N -1 1 334.363 3.570 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c(C)c1 ZINC000194727295 1122908087 /nfs/dbraw/zinc/90/80/87/1122908087.db2.gz MZMFHQFAGKQEJW-UHFFFAOYSA-N -1 1 346.408 3.644 20 0 EHADMM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccc2ccccc2c1[O-] ZINC000920082137 1123281888 /nfs/dbraw/zinc/28/18/88/1123281888.db2.gz VLJPPNKCEBPDIT-UHFFFAOYSA-N -1 1 345.358 3.689 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc2n[nH]cc21 ZINC000499269411 1123323243 /nfs/dbraw/zinc/32/32/43/1123323243.db2.gz CTDJCCUTJRMQOA-UHFFFAOYSA-N -1 1 329.425 3.796 20 0 EHADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)COCc1ccccc1 ZINC000920463620 1123372019 /nfs/dbraw/zinc/37/20/19/1123372019.db2.gz UKGRKTZBJWDXJT-ZDUSSCGKSA-N -1 1 333.815 3.628 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2sc(C)nc2CC(C)C)c1 ZINC000134359056 1123518506 /nfs/dbraw/zinc/51/85/06/1123518506.db2.gz YWGKOFVRRIWSMJ-UHFFFAOYSA-N -1 1 347.440 3.566 20 0 EHADMM CN(CCCc1ccccc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000136043355 1123660016 /nfs/dbraw/zinc/66/00/16/1123660016.db2.gz QVCPPDMYEQSMLK-UHFFFAOYSA-N -1 1 348.240 3.860 20 0 EHADMM O=C(Nc1cccc(NC(=O)c2cc(F)ccc2[O-])c1)c1ccoc1 ZINC000080022610 1123735043 /nfs/dbraw/zinc/73/50/43/1123735043.db2.gz UCWLNCQLPPQCSI-UHFFFAOYSA-N -1 1 340.310 3.629 20 0 EHADMM O=C(Nc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1)c1ccco1 ZINC000081934727 1123930670 /nfs/dbraw/zinc/93/06/70/1123930670.db2.gz WIAAYQDZMWXYSJ-UHFFFAOYSA-N -1 1 340.310 3.629 20 0 EHADMM CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000081948015 1123932678 /nfs/dbraw/zinc/93/26/78/1123932678.db2.gz QGVWFBBEXQWCIN-UHFFFAOYSA-N -1 1 327.277 3.822 20 0 EHADMM Cc1cc(Cl)ccc1OCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365253 1124499897 /nfs/dbraw/zinc/49/98/97/1124499897.db2.gz BVCUGRGKHSPKMK-UHFFFAOYSA-N -1 1 347.827 3.539 20 0 EHADMM O=C(Cc1ccc(-n2cccc2)cc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365820 1124500328 /nfs/dbraw/zinc/50/03/28/1124500328.db2.gz JMCXGOVHYIDYLC-UHFFFAOYSA-N -1 1 348.431 3.532 20 0 EHADMM COc1ccc(-c2csc(NC(=O)c3ccccc3[O-])n2)cc1F ZINC000248148535 1124643494 /nfs/dbraw/zinc/64/34/94/1124643494.db2.gz UTGBJGTYJHLXOK-UHFFFAOYSA-N -1 1 344.367 3.916 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2CCc3ccc(O)cc32)cc(Cl)c1[O-] ZINC000618970853 1125252292 /nfs/dbraw/zinc/25/22/92/1125252292.db2.gz VJRIIDBTOVVLLE-HNNXBMFYSA-N -1 1 347.798 3.567 20 0 EHADMM Cc1cc([C@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2)c(O)cc1Cl ZINC000619369027 1125337396 /nfs/dbraw/zinc/33/73/96/1125337396.db2.gz CFYBOBURCUXERR-LBPRGKRZSA-N -1 1 349.789 3.828 20 0 EHADMM COc1ccc(CCSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000261393284 1129521975 /nfs/dbraw/zinc/52/19/75/1129521975.db2.gz HMXPQVFVNZTGEH-UHFFFAOYSA-N -1 1 330.331 3.544 20 0 EHADMM COc1nc(C(=O)[N-]c2cc(C)ccc2SCC(F)(F)F)co1 ZINC000625723598 1129994273 /nfs/dbraw/zinc/99/42/73/1129994273.db2.gz AYIPQUYMYLZDFU-UHFFFAOYSA-N -1 1 346.330 3.898 20 0 EHADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000674324525 1130065327 /nfs/dbraw/zinc/06/53/27/1130065327.db2.gz OBTMYWUSMBEAHM-HNAYVOBHSA-N -1 1 343.398 3.771 20 0 EHADMM O=C(NC1CC(c2ccccc2)C1)c1ccc2ccc(O)cc2c1[O-] ZINC001626106543 1130235002 /nfs/dbraw/zinc/23/50/02/1130235002.db2.gz HZTMWYPUFMIORN-UHFFFAOYSA-N -1 1 333.387 3.927 20 0 EHADMM Cc1cc(F)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1F ZINC000675142318 1130266432 /nfs/dbraw/zinc/26/64/32/1130266432.db2.gz JXFGRNUUTFDROU-UHFFFAOYSA-N -1 1 329.306 3.621 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1CC ZINC000486089905 1130440246 /nfs/dbraw/zinc/44/02/46/1130440246.db2.gz PMCWHHRBFGVEBN-UHFFFAOYSA-N -1 1 331.437 3.642 20 0 EHADMM CC[C@@H](C[N-]C(=O)C(F)(F)F)Cc1cccc(Br)c1 ZINC000736258969 1131414276 /nfs/dbraw/zinc/41/42/76/1131414276.db2.gz YJTMAIAYTWKJMT-SECBINFHSA-N -1 1 338.167 3.696 20 0 EHADMM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1c([O-])cccc1F ZINC000743415532 1131918522 /nfs/dbraw/zinc/91/85/22/1131918522.db2.gz DZMTYKMCJCVZRO-UHFFFAOYSA-N -1 1 330.290 3.886 20 0 EHADMM Cc1ccccc1[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CCO1 ZINC000743637120 1131957512 /nfs/dbraw/zinc/95/75/12/1131957512.db2.gz LRQHQTSHOPCRER-MRXNPFEDSA-N -1 1 331.799 3.568 20 0 EHADMM CS(=O)(=O)c1ccccc1Nc1c(Cl)ccc([O-])c1Cl ZINC001173989786 1132196572 /nfs/dbraw/zinc/19/65/72/1132196572.db2.gz RMPXLBRVXYPBGH-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM O=C(NCc1ccco1)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174157272 1132259990 /nfs/dbraw/zinc/25/99/90/1132259990.db2.gz PGGRHEOUBMNBLW-UHFFFAOYSA-N -1 1 344.317 3.937 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(F)c2Cl)c1 ZINC000745653652 1132290047 /nfs/dbraw/zinc/29/00/47/1132290047.db2.gz XMQZDVLOOOBGDR-UHFFFAOYSA-N -1 1 336.746 3.787 20 0 EHADMM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1Nc1cn[nH]c1 ZINC001174297001 1132300167 /nfs/dbraw/zinc/30/01/67/1132300167.db2.gz HJSQUZNYVJRMOE-UHFFFAOYSA-N -1 1 339.239 3.774 20 0 EHADMM COc1cc(Nc2c(Cl)ccc(Br)c2[O-])ccn1 ZINC001174308217 1132312632 /nfs/dbraw/zinc/31/26/32/1132312632.db2.gz NZNOBSWNGSOMIP-UHFFFAOYSA-N -1 1 329.581 3.955 20 0 EHADMM COc1ccc(Cn2cc(Nc3cc([O-])c(F)c(F)c3)cn2)cc1 ZINC001174437143 1132354900 /nfs/dbraw/zinc/35/49/00/1132354900.db2.gz CURDKEMHXFURJT-UHFFFAOYSA-N -1 1 331.322 3.667 20 0 EHADMM COc1cc(C(=O)[O-])ccc1Nc1ccncc1Oc1ccccc1 ZINC001174671110 1132432054 /nfs/dbraw/zinc/43/20/54/1132432054.db2.gz SKZNQLFWYYJMOA-UHFFFAOYSA-N -1 1 336.347 3.746 20 0 EHADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168915500 1132604907 /nfs/dbraw/zinc/60/49/07/1132604907.db2.gz XSUIWYXRGOHGIL-CYBMUJFWSA-N -1 1 339.370 3.534 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1CCCC[C@H]1C1CC1 ZINC001168921575 1132606333 /nfs/dbraw/zinc/60/63/33/1132606333.db2.gz DKELUNHNVKFFAX-DLBZAZTESA-N -1 1 325.412 3.733 20 0 EHADMM [O-]c1cc(Nc2ccc(OC3CCOCC3)nc2)c(F)cc1Cl ZINC001175728075 1132745584 /nfs/dbraw/zinc/74/55/84/1132745584.db2.gz HIYDCWBOTSUEHB-UHFFFAOYSA-N -1 1 338.766 3.881 20 0 EHADMM CC(C)(C)OC(=O)c1c([N-]c2ncc[nH]2)onc1-c1ccccc1 ZINC001176082499 1132831348 /nfs/dbraw/zinc/83/13/48/1132831348.db2.gz NMKCEYWUURADOT-UHFFFAOYSA-N -1 1 326.356 3.764 20 0 EHADMM O=C(NCCc1c[nH]c2c1cccc2Cl)c1ccc([O-])c(F)c1 ZINC001169798207 1132854095 /nfs/dbraw/zinc/85/40/95/1132854095.db2.gz DJGUEMGKTSCQFI-UHFFFAOYSA-N -1 1 332.762 3.639 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001176206285 1132872210 /nfs/dbraw/zinc/87/22/10/1132872210.db2.gz QQXAPSGQWKJBEL-UHFFFAOYSA-N -1 1 345.342 3.867 20 0 EHADMM Cc1ccc(-c2nc(COC(=O)c3ccc([O-])cc3F)cs2)o1 ZINC000773576363 1132920870 /nfs/dbraw/zinc/92/08/70/1132920870.db2.gz OJOGWAQDGBHIBX-UHFFFAOYSA-N -1 1 333.340 3.913 20 0 EHADMM Cn1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(-c2ccccc2)n1 ZINC001176570874 1132969845 /nfs/dbraw/zinc/96/98/45/1132969845.db2.gz WAZNLAPGTTVYKZ-UHFFFAOYSA-N -1 1 331.379 3.722 20 0 EHADMM COCCOc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176670212 1132979080 /nfs/dbraw/zinc/97/90/80/1132979080.db2.gz BHSZBABMCDKXGJ-UHFFFAOYSA-N -1 1 331.265 3.717 20 0 EHADMM Clc1ccc([N-]c2nonc2-c2cn3ccncc3n2)c(Cl)c1 ZINC001176652243 1132985086 /nfs/dbraw/zinc/98/50/86/1132985086.db2.gz OCAQCUMAAJRWLK-UHFFFAOYSA-N -1 1 347.165 3.830 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000768084465 1133089613 /nfs/dbraw/zinc/08/96/13/1133089613.db2.gz MXSAXBJTVWIPHN-VFVRVIDISA-N -1 1 329.371 3.522 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c([O-])c1 ZINC000768480719 1133142558 /nfs/dbraw/zinc/14/25/58/1133142558.db2.gz YXKZCGUGMLJYOX-INIZCTEOSA-N -1 1 327.380 3.584 20 0 EHADMM CC(=O)c1ccccc1[N-]S(=O)(=O)C=Cc1cccc(Cl)c1 ZINC000768868273 1133192846 /nfs/dbraw/zinc/19/28/46/1133192846.db2.gz ZLXYMGOVQLKIDE-KTKRTIGZSA-N -1 1 335.812 3.955 20 0 EHADMM O=C(N[C@H]1CCSC2(CCC2)C1)c1ccc2ccc(O)cc2c1[O-] ZINC001179797010 1133283874 /nfs/dbraw/zinc/28/38/74/1133283874.db2.gz ZTYBJRHKLDNZLL-ZDUSSCGKSA-N -1 1 343.448 3.799 20 0 EHADMM O=C(N[C@@H](Cc1ccccc1)c1ccccn1)c1ccc(F)c([O-])c1 ZINC001179965405 1133314139 /nfs/dbraw/zinc/31/41/39/1133314139.db2.gz QYMKKAMVVKLIHF-SFHVURJKSA-N -1 1 336.366 3.640 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000769692687 1133331277 /nfs/dbraw/zinc/33/12/77/1133331277.db2.gz OOSBFJVRUPJLJO-CQSZACIVSA-N -1 1 349.789 3.868 20 0 EHADMM Cn1ncc([N-]c2nn3cc(-c4ccccc4)nc3s2)c1C1CC1 ZINC000770127349 1133390659 /nfs/dbraw/zinc/39/06/59/1133390659.db2.gz MGMCVQNRBOFZGK-UHFFFAOYSA-N -1 1 336.424 3.812 20 0 EHADMM COc1cc(F)cc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC000770225996 1133398139 /nfs/dbraw/zinc/39/81/39/1133398139.db2.gz OXFRDIXAVFKDCG-UHFFFAOYSA-N -1 1 345.267 3.521 20 0 EHADMM CCOC(=O)c1c(C)nsc1Nc1cc(Cl)c([O-])cc1F ZINC001250020284 1133520074 /nfs/dbraw/zinc/52/00/74/1133520074.db2.gz IVEALTNKDSUXTC-UHFFFAOYSA-N -1 1 330.768 3.870 20 0 EHADMM O=C(CCCc1cccs1)Nc1nc(Br)ccc1[O-] ZINC000771573613 1133572947 /nfs/dbraw/zinc/57/29/47/1133572947.db2.gz BQNPAMPBYQYTDD-UHFFFAOYSA-N -1 1 341.230 3.573 20 0 EHADMM CCOc1cc(-c2nc(-c3cccc(N)c3)no2)cc(Cl)c1[O-] ZINC000785557714 1133721347 /nfs/dbraw/zinc/72/13/47/1133721347.db2.gz AXQTYWPMXLOYMY-UHFFFAOYSA-N -1 1 331.759 3.744 20 0 EHADMM O=C([N-][C@H](c1ncccc1F)C1CC1)C(F)(F)c1ccc(F)cc1 ZINC001182890333 1133744189 /nfs/dbraw/zinc/74/41/89/1133744189.db2.gz NCDCNAQRWFTMGE-AWEZNQCLSA-N -1 1 338.304 3.719 20 0 EHADMM O=C1Nc2cc(Br)ccc2/C1=C/c1ccc([O-])c(F)c1 ZINC000774559026 1133748411 /nfs/dbraw/zinc/74/84/11/1133748411.db2.gz OPHLPYKJEBNXMI-WZUFQYTHSA-N -1 1 334.144 3.787 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1csc(Cl)c1 ZINC000786347439 1133834084 /nfs/dbraw/zinc/83/40/84/1133834084.db2.gz NGJIWDBLMFFUNO-UHFFFAOYSA-N -1 1 336.752 3.571 20 0 EHADMM CCC[C@@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)OCC ZINC001184059881 1133892338 /nfs/dbraw/zinc/89/23/38/1133892338.db2.gz HYSYEASOOZDAOR-LBPRGKRZSA-N -1 1 336.819 3.529 20 0 EHADMM Cc1ccccc1CC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC001185190235 1134046492 /nfs/dbraw/zinc/04/64/92/1134046492.db2.gz CEABESMKUPALSN-UHFFFAOYSA-N -1 1 347.418 3.848 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185227407 1134052384 /nfs/dbraw/zinc/05/23/84/1134052384.db2.gz MVBITEOQZOBCRB-UHFFFAOYSA-N -1 1 344.392 3.541 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(C)nc2Cl)ccc1Cl ZINC001185497471 1134099302 /nfs/dbraw/zinc/09/93/02/1134099302.db2.gz WHUDXFZUSMPLAL-UHFFFAOYSA-N -1 1 346.239 3.509 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ncc(F)cc2Cl)ccc1Cl ZINC001185496281 1134099312 /nfs/dbraw/zinc/09/93/12/1134099312.db2.gz JYSKRULXOANMHY-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM COc1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185529589 1134104112 /nfs/dbraw/zinc/10/41/12/1134104112.db2.gz HUMWGNCTVDAWSG-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COc1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1 ZINC000788499951 1134132707 /nfs/dbraw/zinc/13/27/07/1134132707.db2.gz HEAJTQZMAXYVIH-UHFFFAOYSA-N -1 1 325.802 3.667 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c2cnccc12 ZINC001185836065 1134138993 /nfs/dbraw/zinc/13/89/93/1134138993.db2.gz FVYKZPICSKHHNL-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1 ZINC001185943203 1134149818 /nfs/dbraw/zinc/14/98/18/1134149818.db2.gz HEOKWYIFQRXKML-UHFFFAOYSA-N -1 1 329.425 3.661 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c(C)cc1Cl ZINC001185990454 1134153400 /nfs/dbraw/zinc/15/34/00/1134153400.db2.gz OSSTVBHCKMIOGN-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM CCc1cc2c(cc1CC)CC(NC(=O)c1ccc([O-])c(F)c1)C2 ZINC001186233602 1134184035 /nfs/dbraw/zinc/18/40/35/1134184035.db2.gz KSLSLFQGDCRVJA-UHFFFAOYSA-N -1 1 327.399 3.553 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001186219146 1134188455 /nfs/dbraw/zinc/18/84/55/1134188455.db2.gz MESRSXZARNBGIO-CQSZACIVSA-N -1 1 335.325 3.796 20 0 EHADMM CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186263317 1134189918 /nfs/dbraw/zinc/18/99/18/1134189918.db2.gz QXAYKDLUQVCIDT-UHFFFAOYSA-N -1 1 347.465 3.790 20 0 EHADMM CSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000788895421 1134190819 /nfs/dbraw/zinc/19/08/19/1134190819.db2.gz FROVQODTDUNWBB-SSDOTTSWSA-N -1 1 346.276 3.552 20 0 EHADMM CCc1cc2c(cc1CC)CC(NC(=O)c1ccc([O-])cc1F)C2 ZINC001186340136 1134204349 /nfs/dbraw/zinc/20/43/49/1134204349.db2.gz WIGBFKOMYSWOFJ-UHFFFAOYSA-N -1 1 327.399 3.553 20 0 EHADMM O=C(NCc1nc(-c2ccccc2)cs1)c1ccc([O-])cc1F ZINC001186339673 1134204426 /nfs/dbraw/zinc/20/44/26/1134204426.db2.gz OBCIUUXORQXXCD-UHFFFAOYSA-N -1 1 328.368 3.585 20 0 EHADMM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC001187242105 1134313032 /nfs/dbraw/zinc/31/30/32/1134313032.db2.gz UOVAWFASKQRDNK-ZDUSSCGKSA-N -1 1 339.407 3.664 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccccc1OC(F)(F)F ZINC000789930562 1134345195 /nfs/dbraw/zinc/34/51/95/1134345195.db2.gz XJRMKPSRGYSHKZ-UHFFFAOYSA-N -1 1 332.665 3.592 20 0 EHADMM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930544 1134345647 /nfs/dbraw/zinc/34/56/47/1134345647.db2.gz WEOFUHNZYDNNGB-MRVPVSSYSA-N -1 1 327.167 3.500 20 0 EHADMM CSCc1cc(C(=O)Nc2nc(Cl)ccc2[O-])ccc1F ZINC000790052559 1134365234 /nfs/dbraw/zinc/36/52/34/1134365234.db2.gz YOTJUSCEGSLCMP-UHFFFAOYSA-N -1 1 326.780 3.695 20 0 EHADMM O=C(CCc1cncc2ccccc21)Nc1nc(Cl)ccc1[O-] ZINC000790052437 1134365629 /nfs/dbraw/zinc/36/56/29/1134365629.db2.gz VRHFNUYEIUKQIE-UHFFFAOYSA-N -1 1 327.771 3.560 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Nc2ccc(SC)cc2)c1 ZINC001188110725 1134429443 /nfs/dbraw/zinc/42/94/43/1134429443.db2.gz WCSKYCSLEDRHNJ-UHFFFAOYSA-N -1 1 332.381 3.545 20 0 EHADMM O=S(=O)(Nc1cc(Cl)c(Cl)c(Cl)c1[O-])C1CCC1 ZINC001188143788 1134433660 /nfs/dbraw/zinc/43/36/60/1134433660.db2.gz COFHDGXRMFEJMJ-UHFFFAOYSA-N -1 1 330.620 3.647 20 0 EHADMM CCCC[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188167567 1134435588 /nfs/dbraw/zinc/43/55/88/1134435588.db2.gz LWWZGABAQXGJFA-UHFFFAOYSA-N -1 1 344.864 3.857 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C2CCCC2)c(F)c1 ZINC001188299898 1134446885 /nfs/dbraw/zinc/44/68/85/1134446885.db2.gz LKZDXWPOILVMCZ-UHFFFAOYSA-N -1 1 331.428 3.768 20 0 EHADMM O=C(Nc1cncc(-c2ccccc2)c1)c1ncc(C(F)(F)F)[n-]1 ZINC001188280466 1134449260 /nfs/dbraw/zinc/44/92/60/1134449260.db2.gz IAZZWOJWAQFGPR-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM O=C(Nc1cncc(-c2ccccc2)c1)c1nc(C(F)(F)F)c[n-]1 ZINC001188280466 1134449263 /nfs/dbraw/zinc/44/92/63/1134449263.db2.gz IAZZWOJWAQFGPR-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1cc2ccccc2cc1[O-] ZINC000791280014 1134529350 /nfs/dbraw/zinc/52/93/50/1134529350.db2.gz IHESWUUPZQLIKF-UHFFFAOYSA-N -1 1 348.337 3.722 20 0 EHADMM Cc1cc(F)cc(C)c1C(=O)Nc1nc(Br)ccc1[O-] ZINC001189265424 1134564803 /nfs/dbraw/zinc/56/48/03/1134564803.db2.gz HVASLZFAFYOAPZ-UHFFFAOYSA-N -1 1 339.164 3.558 20 0 EHADMM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(F)c2ccccc21 ZINC001189400255 1134582689 /nfs/dbraw/zinc/58/26/89/1134582689.db2.gz IIUGNUVRTQAEJP-CQSZACIVSA-N -1 1 347.333 3.598 20 0 EHADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CC2CCCCC2)c(F)c1 ZINC001189937471 1134638953 /nfs/dbraw/zinc/63/89/53/1134638953.db2.gz PRLJZMVWWJHCRZ-NSHDSACASA-N -1 1 347.427 3.611 20 0 EHADMM Cc1nc2c(cccc2NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)o1 ZINC001190270769 1134675487 /nfs/dbraw/zinc/67/54/87/1134675487.db2.gz PUTSMUOMUJUJFK-UHFFFAOYSA-N -1 1 346.346 3.551 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2C)cc1 ZINC001190423647 1134698247 /nfs/dbraw/zinc/69/82/47/1134698247.db2.gz LZPAUQDZACNMBL-UHFFFAOYSA-N -1 1 348.468 3.887 20 0 EHADMM Cc1cc2nsnc2cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190505535 1134708229 /nfs/dbraw/zinc/70/82/29/1134708229.db2.gz CVWKYAHTXSYVGZ-UHFFFAOYSA-N -1 1 345.449 3.678 20 0 EHADMM O=c1ccc2c([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cccc2[nH]1 ZINC001190499382 1134714422 /nfs/dbraw/zinc/71/44/22/1134714422.db2.gz DJIUIFCHCXXJSL-UHFFFAOYSA-N -1 1 340.404 3.619 20 0 EHADMM O=C(Nc1cc2ccccc2s1)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190617709 1134720328 /nfs/dbraw/zinc/72/03/28/1134720328.db2.gz JZWLCSQIBAWOPE-UHFFFAOYSA-N -1 1 348.387 3.711 20 0 EHADMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000085069784 1134763226 /nfs/dbraw/zinc/76/32/26/1134763226.db2.gz XHBUJTCJNPBUOC-CMPLNLGQSA-N -1 1 326.234 3.853 20 0 EHADMM COc1cc(C(=O)Nc2nc3ccc(F)cc3o2)cc(Cl)c1[O-] ZINC001191129296 1134798815 /nfs/dbraw/zinc/79/88/15/1134798815.db2.gz HAYQZBLJUBEEEB-UHFFFAOYSA-N -1 1 336.706 3.587 20 0 EHADMM COc1cc(C(=O)Nc2cc(CC(C)(C)C)no2)cc(Cl)c1[O-] ZINC001191129644 1134800231 /nfs/dbraw/zinc/80/02/31/1134800231.db2.gz RROJHLIDYQNDPP-UHFFFAOYSA-N -1 1 338.791 3.883 20 0 EHADMM COc1cc2[nH]ccc2c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC001191148697 1134802231 /nfs/dbraw/zinc/80/22/31/1134802231.db2.gz PWOMPFNLFOWFPP-UHFFFAOYSA-N -1 1 346.770 3.796 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3nnsc3c2)cc1 ZINC001191252884 1134825323 /nfs/dbraw/zinc/82/53/23/1134825323.db2.gz IHJXJVCZWCCFRJ-UHFFFAOYSA-N -1 1 347.465 3.835 20 0 EHADMM O=C(Nc1ccccc1O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191509310 1134876415 /nfs/dbraw/zinc/87/64/15/1134876415.db2.gz FAJGLWRBTKNACI-UHFFFAOYSA-N -1 1 333.343 3.581 20 0 EHADMM CC(=O)c1sccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191872508 1134939068 /nfs/dbraw/zinc/93/90/68/1134939068.db2.gz IMETVJVKZBOIDJ-UHFFFAOYSA-N -1 1 347.820 3.685 20 0 EHADMM CCOc1cccc([C@@H](CC)OC(=O)c2ccc(C(=O)OC)[n-]2)c1 ZINC000796952441 1134975072 /nfs/dbraw/zinc/97/50/72/1134975072.db2.gz OVUXKIQAZLGIEO-MRXNPFEDSA-N -1 1 331.368 3.508 20 0 EHADMM Cc1cc(NC(=O)Nc2cc3ccc([O-])cc3oc2=O)ccc1F ZINC001192356477 1135004095 /nfs/dbraw/zinc/00/40/95/1135004095.db2.gz HBDXQBGCZWAPNN-UHFFFAOYSA-N -1 1 328.299 3.590 20 0 EHADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1c(F)ccc([O-])c1F ZINC001192540039 1135032228 /nfs/dbraw/zinc/03/22/28/1135032228.db2.gz PYEPVZIDSCJRRF-GOSISDBHSA-N -1 1 340.329 3.585 20 0 EHADMM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc([O-])cc(F)c1F ZINC001192670346 1135043774 /nfs/dbraw/zinc/04/37/74/1135043774.db2.gz HVQKHTHUPGEEOB-UHFFFAOYSA-N -1 1 347.239 3.864 20 0 EHADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cc([O-])cc(F)c1F ZINC001192678492 1135044097 /nfs/dbraw/zinc/04/40/97/1135044097.db2.gz DGMTYSAWRTXFAM-ZDUSSCGKSA-N -1 1 331.240 3.704 20 0 EHADMM CC[C@@H](NC(=O)c1cc([O-])cc(F)c1F)c1ccc(F)c(F)c1 ZINC001192685079 1135045744 /nfs/dbraw/zinc/04/57/44/1135045744.db2.gz YHILQAQQSBGZJW-CQSZACIVSA-N -1 1 327.277 3.830 20 0 EHADMM O=S(=O)(CC1CCC1)[N-]c1cccnc1Oc1ccccc1F ZINC001193480203 1135141292 /nfs/dbraw/zinc/14/12/92/1135141292.db2.gz YNPKETSKMYXKHE-UHFFFAOYSA-N -1 1 336.388 3.555 20 0 EHADMM O=S(=O)(CC1CCC1)[N-]c1cc(-c2ccccc2)cc(Cl)n1 ZINC001193478974 1135141646 /nfs/dbraw/zinc/14/16/46/1135141646.db2.gz QHSIICHTKMXQGR-UHFFFAOYSA-N -1 1 336.844 3.944 20 0 EHADMM CCc1ncc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)s1 ZINC001129869754 1135179815 /nfs/dbraw/zinc/17/98/15/1135179815.db2.gz HETVIGMPIJHOQY-UHFFFAOYSA-N -1 1 348.428 3.539 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc2c(Cl)cccc2c1 ZINC001194215721 1135244886 /nfs/dbraw/zinc/24/48/86/1135244886.db2.gz MIIQZAKDYBEPGM-UHFFFAOYSA-N -1 1 333.796 4.000 20 0 EHADMM O=C([N-]c1c(Cl)cnnc1Cl)c1ccc(C(F)(F)F)o1 ZINC001194404690 1135265234 /nfs/dbraw/zinc/26/52/34/1135265234.db2.gz DPWMSGAUMGZTKN-UHFFFAOYSA-N -1 1 326.061 3.648 20 0 EHADMM O=S(=O)([N-][C@H]1CC12CCC2)c1c(Cl)cccc1C(F)(F)F ZINC001194485286 1135277263 /nfs/dbraw/zinc/27/72/63/1135277263.db2.gz ZIHUODCCHUZHJJ-JTQLQIEISA-N -1 1 339.766 3.580 20 0 EHADMM COc1ccc(OC(=O)Nc2cccc([O-])c2Br)cc1 ZINC001194540883 1135283840 /nfs/dbraw/zinc/28/38/40/1135283840.db2.gz XJQDKSQXYCYPJL-UHFFFAOYSA-N -1 1 338.157 3.774 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])Oc1ccc(Br)cc1 ZINC001194598823 1135290468 /nfs/dbraw/zinc/29/04/68/1135290468.db2.gz HZBPTUXTFPBXOQ-UHFFFAOYSA-N -1 1 326.121 3.905 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(Cl)nc(Cl)c1 ZINC001194604751 1135291498 /nfs/dbraw/zinc/29/14/98/1135291498.db2.gz JLSDKBKQDGSREH-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1c[n-]c(C(F)(F)F)n1 ZINC001194783150 1135314880 /nfs/dbraw/zinc/31/48/80/1135314880.db2.gz GTKDTSADWOELKH-UHFFFAOYSA-N -1 1 328.681 3.816 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2OC2CC2)c1 ZINC000805722003 1135320832 /nfs/dbraw/zinc/32/08/32/1135320832.db2.gz JMVLJJDMJBCNIM-UHFFFAOYSA-N -1 1 340.375 3.536 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nnco3)cc2)c1 ZINC001195156992 1135383447 /nfs/dbraw/zinc/38/34/47/1135383447.db2.gz ZKPKOEABXSLVRP-UHFFFAOYSA-N -1 1 343.408 3.661 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2ccc3nc(C(F)(F)F)ccc3c2)n1 ZINC001195326073 1135406298 /nfs/dbraw/zinc/40/62/98/1135406298.db2.gz LTCWDCQYKPHJNC-UHFFFAOYSA-N -1 1 347.296 3.915 20 0 EHADMM O=C(Nc1ccccc1-c1nccs1)c1cc([O-])cnc1Cl ZINC001195306515 1135410763 /nfs/dbraw/zinc/41/07/63/1135410763.db2.gz SNYADDPJXJJJPX-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1c(C)cc(Br)cc1C ZINC001195449021 1135424892 /nfs/dbraw/zinc/42/48/92/1135424892.db2.gz AMSNZBSTRXPXNJ-UHFFFAOYSA-N -1 1 331.235 3.509 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC001195449408 1135424898 /nfs/dbraw/zinc/42/48/98/1135424898.db2.gz VUBDYCHUHAXVKT-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM Cc1ccc(F)cc1NC(=S)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001195923036 1135491516 /nfs/dbraw/zinc/49/15/16/1135491516.db2.gz QKOUPRWOQWQSLJ-UHFFFAOYSA-N -1 1 342.399 3.834 20 0 EHADMM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc4nccnc4c3)c2c1 ZINC001198154103 1135780089 /nfs/dbraw/zinc/78/00/89/1135780089.db2.gz PLNJSLVIAFLRAE-UHFFFAOYSA-N -1 1 349.415 3.892 20 0 EHADMM Cc1ccccc1NC(=S)Nc1cc2ccc([O-])cc2oc1=O ZINC001198404598 1135811420 /nfs/dbraw/zinc/81/14/20/1135811420.db2.gz YEBCMQNAKGUEFK-UHFFFAOYSA-N -1 1 326.377 3.616 20 0 EHADMM Cc1cc(NC(=S)Nc2cc3ccc([O-])cc3oc2=O)ccc1F ZINC001201029843 1135979984 /nfs/dbraw/zinc/97/99/84/1135979984.db2.gz UIONSVPTJVLUOL-UHFFFAOYSA-N -1 1 344.367 3.755 20 0 EHADMM Cc1cc(C)cc(NC(=S)Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001201198559 1135994969 /nfs/dbraw/zinc/99/49/69/1135994969.db2.gz FLYKSSMDXNHMSV-UHFFFAOYSA-N -1 1 340.404 3.924 20 0 EHADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)c2ccccc21 ZINC001201765105 1136061104 /nfs/dbraw/zinc/06/11/04/1136061104.db2.gz VKZFYGQMGNVYGI-PRHODGIISA-N -1 1 342.873 3.632 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)cn1 ZINC001201794505 1136063198 /nfs/dbraw/zinc/06/31/98/1136063198.db2.gz FYRMDZSILFCFCD-UHFFFAOYSA-N -1 1 348.468 3.742 20 0 EHADMM O=C(Nc1ccc(Cl)cc1)Nc1nc(Br)ccc1[O-] ZINC001202363676 1136133840 /nfs/dbraw/zinc/13/38/40/1136133840.db2.gz BKNRIYFSECACEI-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000811835708 1136143008 /nfs/dbraw/zinc/14/30/08/1136143008.db2.gz KOVFSCXEBJBHER-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCCC2(CC2)C1 ZINC000850207864 1136220506 /nfs/dbraw/zinc/22/05/06/1136220506.db2.gz TXQFIYXAJLMFMZ-LBPRGKRZSA-N -1 1 328.364 3.512 20 0 EHADMM O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1c([O-])cccc1Cl ZINC000813694734 1136354973 /nfs/dbraw/zinc/35/49/73/1136354973.db2.gz BPDDSSBKCQBNGW-CYBMUJFWSA-N -1 1 340.206 3.553 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000813782118 1136361980 /nfs/dbraw/zinc/36/19/80/1136361980.db2.gz WSKHCEVQVCHVIY-OCCSQVGLSA-N -1 1 333.476 3.901 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1F)[N-][C@H](c1ccccc1)C(F)F ZINC000814286010 1136434046 /nfs/dbraw/zinc/43/40/46/1136434046.db2.gz VCZMYIGSQOVMSD-AUECHBEKSA-N -1 1 341.354 3.722 20 0 EHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000854565681 1136628239 /nfs/dbraw/zinc/62/82/39/1136628239.db2.gz QYORUWXFDUTAPH-PXAZEXFGSA-N -1 1 333.815 3.630 20 0 EHADMM COc1ccccc1[C@@H](C)N(OC)C(=O)c1cc(SC)ccc1[O-] ZINC000855127712 1136670097 /nfs/dbraw/zinc/67/00/97/1136670097.db2.gz VHJXWRNZMLXVFQ-GFCCVEGCSA-N -1 1 347.436 3.888 20 0 EHADMM Cc1ccc2oc(CNC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc2c1 ZINC000855768408 1136727050 /nfs/dbraw/zinc/72/70/50/1136727050.db2.gz DTIAEIRDRIGPRW-UHFFFAOYSA-N -1 1 339.395 3.599 20 0 EHADMM CN(Cc1ccc(F)cc1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001135641409 1136740298 /nfs/dbraw/zinc/74/02/98/1136740298.db2.gz DQNMMHVBMZFELY-UHFFFAOYSA-N -1 1 325.339 3.662 20 0 EHADMM Cc1ccc(CNC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])cc1 ZINC001135737443 1136762473 /nfs/dbraw/zinc/76/24/73/1136762473.db2.gz QUEVPBDUUUTWDK-UHFFFAOYSA-N -1 1 335.359 3.703 20 0 EHADMM O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cc2ccccc2cc1[O-] ZINC000817061971 1136774266 /nfs/dbraw/zinc/77/42/66/1136774266.db2.gz QSILQWBVVBTOEC-GOSISDBHSA-N -1 1 341.794 3.662 20 0 EHADMM CC(C)Oc1ccc(CCNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC001135839725 1136785091 /nfs/dbraw/zinc/78/50/91/1136785091.db2.gz QPGYXBIIRJOORW-UHFFFAOYSA-N -1 1 333.815 3.805 20 0 EHADMM CCc1ncc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)o1 ZINC000817455802 1136807820 /nfs/dbraw/zinc/80/78/20/1136807820.db2.gz XCWCNPFPOMRQQZ-UHFFFAOYSA-N -1 1 349.164 3.952 20 0 EHADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000817441699 1136811289 /nfs/dbraw/zinc/81/12/89/1136811289.db2.gz LBUNKOWNBIMOHW-OAHLLOKOSA-N -1 1 337.419 3.869 20 0 EHADMM O=c1cc(CN[C@H](C(F)F)C2CCCCC2)c2ccc([O-])cc2o1 ZINC000856823557 1136816183 /nfs/dbraw/zinc/81/61/83/1136816183.db2.gz MTBSJCSXUCGWQC-KRWDZBQOSA-N -1 1 337.366 3.802 20 0 EHADMM CCc1cnc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)o1 ZINC000817591383 1136827220 /nfs/dbraw/zinc/82/72/20/1136827220.db2.gz VVQCTIZSMBVYKO-UHFFFAOYSA-N -1 1 349.164 3.952 20 0 EHADMM O=C([N-]C1CC(F)(F)C1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817597253 1136827555 /nfs/dbraw/zinc/82/75/55/1136827555.db2.gz YXMYWJXLVHTYHL-UHFFFAOYSA-N -1 1 330.108 3.999 20 0 EHADMM O=C([N-]Cc1cccc(C(F)(F)F)n1)C(F)(F)c1ccccc1 ZINC000857518827 1136879548 /nfs/dbraw/zinc/87/95/48/1136879548.db2.gz NABUJOVJMATRJK-UHFFFAOYSA-N -1 1 330.256 3.509 20 0 EHADMM C[C@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000857932562 1136923846 /nfs/dbraw/zinc/92/38/46/1136923846.db2.gz PCLMARFJMYTYRK-ZDUSSCGKSA-N -1 1 346.386 3.528 20 0 EHADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cc2ccccc2cc1[O-] ZINC001136266108 1136959565 /nfs/dbraw/zinc/95/95/65/1136959565.db2.gz MQIXKDQEEWOGTI-KUHUBIRLSA-N -1 1 327.424 3.871 20 0 EHADMM Cc1nnc(Sc2cc(Cl)nc(=O)[n-]2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000858459949 1136969932 /nfs/dbraw/zinc/96/99/32/1136969932.db2.gz OYHVHSJZUXKBPG-PSASIEDQSA-N -1 1 339.852 3.638 20 0 EHADMM CCC1(CC)CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C1 ZINC000820598198 1136999403 /nfs/dbraw/zinc/99/94/03/1136999403.db2.gz NJVRATFJMCQLEH-UHFFFAOYSA-N -1 1 327.380 3.727 20 0 EHADMM CCCOc1ncccc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC001136412175 1137016510 /nfs/dbraw/zinc/01/65/10/1137016510.db2.gz PIJZYXGMHWQIQU-UHFFFAOYSA-N -1 1 336.391 3.659 20 0 EHADMM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cccc(F)c1[O-] ZINC001136470988 1137033083 /nfs/dbraw/zinc/03/30/83/1137033083.db2.gz DAYABHWSAASFFX-UHFFFAOYSA-N -1 1 325.343 3.927 20 0 EHADMM C[C@@H]1CCC(C)(C)N1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000822190493 1137051920 /nfs/dbraw/zinc/05/19/20/1137051920.db2.gz CXHDKLKCSXESQI-GFCCVEGCSA-N -1 1 327.380 3.868 20 0 EHADMM CCCc1nc(C)c(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)o1 ZINC000823117209 1137087721 /nfs/dbraw/zinc/08/77/21/1137087721.db2.gz NOGUKUBNMQYOGF-UHFFFAOYSA-N -1 1 344.308 3.622 20 0 EHADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc2ccc(O)cc2c1[O-] ZINC001136785887 1137116225 /nfs/dbraw/zinc/11/62/25/1137116225.db2.gz MCLSOUXYNFXSCJ-BPLDGKMQSA-N -1 1 325.408 3.950 20 0 EHADMM Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)c1cncc([O-])c1 ZINC000862719089 1137154841 /nfs/dbraw/zinc/15/48/41/1137154841.db2.gz TTXNUIHCBNZNCB-UHFFFAOYSA-N -1 1 343.383 3.695 20 0 EHADMM CCC(F)(F)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000862899951 1137162887 /nfs/dbraw/zinc/16/28/87/1137162887.db2.gz FAXHPLBGGQUIFS-UHFFFAOYSA-N -1 1 344.358 3.514 20 0 EHADMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000772887156 1137163302 /nfs/dbraw/zinc/16/33/02/1137163302.db2.gz ZMUBRWUJYZRDDR-GTNSWQLSSA-N -1 1 349.814 3.560 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000844031718 1137193751 /nfs/dbraw/zinc/19/37/51/1137193751.db2.gz GHSDDCFBQIUKJM-GJZGRUSLSA-N -1 1 345.487 3.902 20 0 EHADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cccc(OC)c1F ZINC000864529744 1137232834 /nfs/dbraw/zinc/23/28/34/1137232834.db2.gz YZJNXLRRNSNBQJ-MRXNPFEDSA-N -1 1 331.387 3.702 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@](C)(O)c1ccccc1 ZINC001144682941 1137329181 /nfs/dbraw/zinc/32/91/81/1137329181.db2.gz LCTMLQIBJIYHDB-QKKBWIMNSA-N -1 1 335.403 3.571 20 0 EHADMM C/C(=C\CN1CCC[C@H]1c1ccc(Br)c(C)c1)C(=O)[O-] ZINC000846255747 1137344246 /nfs/dbraw/zinc/34/42/46/1137344246.db2.gz FWDKPTOLHRHPFK-USYSOWRXSA-N -1 1 338.245 3.925 20 0 EHADMM C[C@H](O)[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccc1F ZINC001144794918 1137349206 /nfs/dbraw/zinc/34/92/06/1137349206.db2.gz USHJKUUQHGLDFR-KPZWWZAWSA-N -1 1 339.366 3.536 20 0 EHADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc(Br)ccc1[O-] ZINC001146662236 1137392369 /nfs/dbraw/zinc/39/23/69/1137392369.db2.gz RIXTZVDLJLRJNA-DMDPSCGWSA-N -1 1 338.245 3.853 20 0 EHADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001147218683 1137402897 /nfs/dbraw/zinc/40/28/97/1137402897.db2.gz PSEBQOKWAWMXCQ-QLJPJBMISA-N -1 1 337.778 3.691 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc3c2OCC3)cc(Cl)c1[O-] ZINC001147452959 1137407745 /nfs/dbraw/zinc/40/77/45/1137407745.db2.gz SQNDEHWQHNSPGW-UHFFFAOYSA-N -1 1 333.771 3.632 20 0 EHADMM Cc1ncc(CO)c(C(=O)Nc2ccc(C3CC3)c3ccccc23)c1[O-] ZINC001147842687 1137413596 /nfs/dbraw/zinc/41/35/96/1137413596.db2.gz JIDZKONYPDJWII-UHFFFAOYSA-N -1 1 348.402 3.871 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)NCC(C)(C)c3ccccc3)cc2)[n-]1 ZINC001148335721 1137422602 /nfs/dbraw/zinc/42/26/02/1137422602.db2.gz HIEGCXWHWNEJIK-UHFFFAOYSA-N -1 1 349.434 3.507 20 0 EHADMM COc1cc(C)ccc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001148574249 1137428851 /nfs/dbraw/zinc/42/88/51/1137428851.db2.gz FLSKZTZFWDLFIS-UHFFFAOYSA-N -1 1 325.286 3.980 20 0 EHADMM CC(C)(C)n1nccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148630633 1137430266 /nfs/dbraw/zinc/43/02/66/1137430266.db2.gz OWZGUEQXTJTJOF-UHFFFAOYSA-N -1 1 327.306 3.615 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc2c1CCCC2 ZINC001148635654 1137430293 /nfs/dbraw/zinc/43/02/93/1137430293.db2.gz AILXVXYMWZHAGZ-UHFFFAOYSA-N -1 1 333.391 3.709 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)c(F)cc1Cl ZINC000339087203 1137435442 /nfs/dbraw/zinc/43/54/42/1137435442.db2.gz DUQKSXZSVPQSAA-UHFFFAOYSA-N -1 1 343.067 3.522 20 0 EHADMM O=C(NCCc1nsc2ccccc12)c1ncc2ccccc2c1[O-] ZINC001148894546 1137437206 /nfs/dbraw/zinc/43/72/06/1137437206.db2.gz IFUHUZXMVJAONZ-UHFFFAOYSA-N -1 1 349.415 3.523 20 0 EHADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001149020080 1137439317 /nfs/dbraw/zinc/43/93/17/1137439317.db2.gz SHAXISRLKTVLDK-CJNGLKHVSA-N -1 1 329.827 3.993 20 0 EHADMM C[C@H](OC(=O)Cc1ccc([O-])c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000869736792 1137464737 /nfs/dbraw/zinc/46/47/37/1137464737.db2.gz PYDUGNUJOCLHMC-VIFPVBQESA-N -1 1 338.791 3.573 20 0 EHADMM O=C(CCCc1nc(-c2cccs2)no1)Nc1cccc(F)c1[O-] ZINC001171632746 1137500105 /nfs/dbraw/zinc/50/01/05/1137500105.db2.gz NHJSZFRZVPVIRT-UHFFFAOYSA-N -1 1 347.371 3.604 20 0 EHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cncc(C(F)F)c2)c(C)c1 ZINC000872010090 1137564418 /nfs/dbraw/zinc/56/44/18/1137564418.db2.gz FHLHINHQPRFVKA-UHFFFAOYSA-N -1 1 326.368 3.745 20 0 EHADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000872166539 1137574988 /nfs/dbraw/zinc/57/49/88/1137574988.db2.gz XVUGSMAICABZMA-INIZCTEOSA-N -1 1 349.789 3.831 20 0 EHADMM CCC[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1ccccn1 ZINC000872877525 1137585932 /nfs/dbraw/zinc/58/59/32/1137585932.db2.gz WXVNQITUGGVKKE-OAHLLOKOSA-N -1 1 333.819 3.781 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)NC[C@H]1CCCCC1(F)F ZINC000873024769 1137588342 /nfs/dbraw/zinc/58/83/42/1137588342.db2.gz AUMYBDBNBRPEAE-LLVKDONJSA-N -1 1 332.778 3.670 20 0 EHADMM COc1ccc(-c2ocnc2C(=O)[N-]c2nc(C(C)C)ns2)cc1 ZINC000874694002 1137621362 /nfs/dbraw/zinc/62/13/62/1137621362.db2.gz ZKVKSJUQTCGNDM-UHFFFAOYSA-N -1 1 344.396 3.577 20 0 EHADMM CC(C)c1nsc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC000874694595 1137621422 /nfs/dbraw/zinc/62/14/22/1137621422.db2.gz VHEOWICURCRFQA-UHFFFAOYSA-N -1 1 331.319 3.638 20 0 EHADMM CC(C)([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1nccs1 ZINC000875331238 1137631991 /nfs/dbraw/zinc/63/19/91/1137631991.db2.gz URBMTEUFZWZOHN-UHFFFAOYSA-N -1 1 332.322 3.565 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2c3nsnc3ccc2Cl)co1 ZINC000875374503 1137632606 /nfs/dbraw/zinc/63/26/06/1137632606.db2.gz LVZGDIRXLJXXJS-UHFFFAOYSA-N -1 1 336.804 3.883 20 0 EHADMM CC1(c2ccccc2)CN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876398671 1137650896 /nfs/dbraw/zinc/65/08/96/1137650896.db2.gz JUWOEOAEIRFVJV-UHFFFAOYSA-N -1 1 330.815 3.529 20 0 EHADMM Cc1cncc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000879750097 1137757977 /nfs/dbraw/zinc/75/79/77/1137757977.db2.gz NKESVBSGZIWJPU-GOSISDBHSA-N -1 1 336.391 3.539 20 0 EHADMM C[C@]1(c2ccccc2)CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000880372355 1137776914 /nfs/dbraw/zinc/77/69/14/1137776914.db2.gz WDWLMHJXJCPNGP-GOSISDBHSA-N -1 1 325.437 3.908 20 0 EHADMM O=C(NCC[C@H]1CCCC1(F)F)c1ccc(Br)c([O-])c1 ZINC000881583275 1137810731 /nfs/dbraw/zinc/81/07/31/1137810731.db2.gz JXUKDFQSJIHEDO-SNVBAGLBSA-N -1 1 348.187 3.710 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@@H](C2CCOCC2)C1 ZINC000882908124 1137837558 /nfs/dbraw/zinc/83/75/58/1137837558.db2.gz DRBRUQWRKRVTIL-CQSZACIVSA-N -1 1 337.847 3.715 20 0 EHADMM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1c(F)ccc([O-])c1F ZINC000348260065 1137886327 /nfs/dbraw/zinc/88/63/27/1137886327.db2.gz GBDGBDXCFTWFRB-UHFFFAOYSA-N -1 1 349.724 3.762 20 0 EHADMM Cc1ccc(C)c(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000029459759 1137891058 /nfs/dbraw/zinc/89/10/58/1137891058.db2.gz GQHKVPLSZLEJPI-UHFFFAOYSA-N -1 1 344.465 3.925 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1F)[N-]c1cc(C(F)(F)F)ccn1 ZINC000800041645 1137895497 /nfs/dbraw/zinc/89/54/97/1137895497.db2.gz KWELZDNJFFMSAF-VURMDHGXSA-N -1 1 346.305 3.652 20 0 EHADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266553 1138062747 /nfs/dbraw/zinc/06/27/47/1138062747.db2.gz PTTVUIDBCDNAON-CHWSQXEVSA-N -1 1 337.391 3.503 20 0 EHADMM CC(C)n1c(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)n[n-]c1=S ZINC000066639724 1138076465 /nfs/dbraw/zinc/07/64/65/1138076465.db2.gz HDDBFPJLPDZKOS-UHFFFAOYSA-N -1 1 349.847 3.586 20 0 EHADMM CCC[C@H](C(=O)NCCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000067093339 1138079726 /nfs/dbraw/zinc/07/97/26/1138079726.db2.gz VSMVNQMPXFTBAY-HNNXBMFYSA-N -1 1 344.484 3.518 20 0 EHADMM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H]1c1ccccc1 ZINC000886543526 1138094064 /nfs/dbraw/zinc/09/40/64/1138094064.db2.gz QGECZTYIRMNBCR-MLGOLLRUSA-N -1 1 325.437 3.980 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000081755334 1138170947 /nfs/dbraw/zinc/17/09/47/1138170947.db2.gz GOTSSPICMFJCHF-GFCCVEGCSA-N -1 1 337.489 3.501 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cs1 ZINC000263683404 1138342141 /nfs/dbraw/zinc/34/21/41/1138342141.db2.gz PFXXQYXBWIORHP-UHFFFAOYSA-N -1 1 336.364 3.563 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cc(F)c(F)c(F)c1 ZINC000337153251 1138481007 /nfs/dbraw/zinc/48/10/07/1138481007.db2.gz LSHOKDZVNRADLM-UHFFFAOYSA-N -1 1 345.317 3.921 20 0 EHADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC(CC2CCCCC2)CC1 ZINC000887623719 1138563927 /nfs/dbraw/zinc/56/39/27/1138563927.db2.gz RGXKGUUGAAKXCZ-UHFFFAOYSA-N -1 1 343.471 3.882 20 0 EHADMM COc1cnc([C@@H]2CCCN2C(=O)CCCC2CCCCC2)[n-]c1=O ZINC000889795808 1139269374 /nfs/dbraw/zinc/26/93/74/1139269374.db2.gz ROLULJKTMJYIRC-HNNXBMFYSA-N -1 1 347.459 3.605 20 0 EHADMM O=C(Nc1ccnn1C1CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000890359521 1139348084 /nfs/dbraw/zinc/34/80/84/1139348084.db2.gz PGUIMDGUTKRQRP-UHFFFAOYSA-N -1 1 325.290 3.585 20 0 EHADMM CCOc1cc2c(cc1NC(=O)c1ccc([O-])cc1F)O[C@@H](C)C2 ZINC000181184097 1139891154 /nfs/dbraw/zinc/89/11/54/1139891154.db2.gz UCEDZJJDRCAPAT-JTQLQIEISA-N -1 1 331.343 3.506 20 0 EHADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1scnc1C1CCCC1 ZINC000183946659 1140068917 /nfs/dbraw/zinc/06/89/17/1140068917.db2.gz BXPPPWAZSNFRLE-UHFFFAOYSA-N -1 1 348.375 3.923 20 0 EHADMM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192328671 1140522962 /nfs/dbraw/zinc/52/29/62/1140522962.db2.gz OIJRIZQXGGFQON-UWVGGRQHSA-N -1 1 342.823 3.533 20 0 EHADMM CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000096744326 1140788956 /nfs/dbraw/zinc/78/89/56/1140788956.db2.gz QXGZPRFNCJYRSO-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CCc1ccc(N(CC)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000270012354 1141168304 /nfs/dbraw/zinc/16/83/04/1141168304.db2.gz ATJJCHRDJNUZAG-UHFFFAOYSA-N -1 1 326.396 3.580 20 0 EHADMM Cc1csc(C(C)(C)[N-]C(=O)C(F)(F)c2c(F)cccc2F)n1 ZINC000270226466 1141194496 /nfs/dbraw/zinc/19/44/96/1141194496.db2.gz QENQLAOODIENNA-UHFFFAOYSA-N -1 1 346.349 3.873 20 0 EHADMM C[C@@H](CNC(=O)c1cncc([O-])c1)c1c(Cl)cccc1Cl ZINC000348842195 1141594453 /nfs/dbraw/zinc/59/44/53/1141594453.db2.gz FKNPESWWHIQPEF-VIFPVBQESA-N -1 1 325.195 3.628 20 0 EHADMM Cc1cc(C)nc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000349003646 1141620532 /nfs/dbraw/zinc/62/05/32/1141620532.db2.gz JWPAKCOYTRJQIB-UHFFFAOYSA-N -1 1 348.175 3.504 20 0 EHADMM Cc1ccc2cccc(NS(=O)(=O)c3cccc(Cl)c3[O-])c2n1 ZINC000436478136 450602240 /nfs/dbraw/zinc/60/22/40/450602240.db2.gz OZMHGWZDVUGREQ-UHFFFAOYSA-N -1 1 348.811 3.703 20 0 EHADMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c(C)c1 ZINC000737322549 598576243 /nfs/dbraw/zinc/57/62/43/598576243.db2.gz ZHCGPMPLNWFLHP-NSHDSACASA-N -1 1 328.807 3.705 20 0 EHADMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c(C)c1 ZINC000737322549 598576245 /nfs/dbraw/zinc/57/62/45/598576245.db2.gz ZHCGPMPLNWFLHP-NSHDSACASA-N -1 1 328.807 3.705 20 0 EHADMM C[C@@H](c1ccccc1)c1ccc(Oc2nccnc2-c2nn[n-]n2)cc1 ZINC000736202773 598756767 /nfs/dbraw/zinc/75/67/67/598756767.db2.gz LIRCAYLBNYUNEX-ZDUSSCGKSA-N -1 1 344.378 3.601 20 0 EHADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@@H](C)C(C)C)n1 ZINC000737244740 598803519 /nfs/dbraw/zinc/80/35/19/598803519.db2.gz KWABHFSLFXZIBL-QMMMGPOBSA-N -1 1 331.367 3.726 20 0 EHADMM Fc1ccc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)cc1 ZINC000737652959 599410813 /nfs/dbraw/zinc/41/08/13/599410813.db2.gz XWAYXJUXJGLYKY-SFHVURJKSA-N -1 1 346.369 3.602 20 0 EHADMM Fc1ccc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC000737652959 599410817 /nfs/dbraw/zinc/41/08/17/599410817.db2.gz XWAYXJUXJGLYKY-SFHVURJKSA-N -1 1 346.369 3.602 20 0 EHADMM CN(Cc1ccccc1-c1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000736828715 599425257 /nfs/dbraw/zinc/42/52/57/599425257.db2.gz QXIOWSNRRSNCMT-UHFFFAOYSA-N -1 1 342.406 3.565 20 0 EHADMM CN(Cc1ccccc1-c1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000736828715 599425262 /nfs/dbraw/zinc/42/52/62/599425262.db2.gz QXIOWSNRRSNCMT-UHFFFAOYSA-N -1 1 342.406 3.565 20 0 EHADMM CC[C@H](Sc1nc(C)nc(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736393288 599520364 /nfs/dbraw/zinc/52/03/64/599520364.db2.gz VWJIKUFQCKXXQL-ZDUSSCGKSA-N -1 1 344.419 3.656 20 0 EHADMM COc1ccc(-c2nc(CN3CCCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000650506249 599754301 /nfs/dbraw/zinc/75/43/01/599754301.db2.gz FCGQWJJVFNVNOL-OAHLLOKOSA-N -1 1 346.452 3.648 20 0 EHADMM Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC000738335216 600073778 /nfs/dbraw/zinc/07/37/78/600073778.db2.gz DWIGMCHMICQGCS-UHFFFAOYSA-N -1 1 337.379 3.945 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@@H](c2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738235257 600118273 /nfs/dbraw/zinc/11/82/73/600118273.db2.gz HMWSSMZXVOGDMJ-RHSMWYFYSA-N -1 1 342.439 3.888 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736820668 600174106 /nfs/dbraw/zinc/17/41/06/600174106.db2.gz FJRZUBDIPJEQGK-VCBZYWHSSA-N -1 1 325.408 3.735 20 0 EHADMM Cc1nn(Cc2ccccc2)c(Cl)c1CN(CCC(=O)[O-])C(C)C ZINC000738927304 600395308 /nfs/dbraw/zinc/39/53/08/600395308.db2.gz JRIDNIXIJLCRJS-UHFFFAOYSA-N -1 1 349.862 3.578 20 0 EHADMM Cc1cc(CN2CCS[C@@H](C)[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000738384105 600490700 /nfs/dbraw/zinc/49/07/00/600490700.db2.gz GRTLTGRGZCVLQB-BBRMVZONSA-N -1 1 331.437 3.965 20 0 EHADMM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC(CC(=O)[O-])CC1 ZINC000652465931 600793843 /nfs/dbraw/zinc/79/38/43/600793843.db2.gz VWTLUTFNMKCVJB-LLVKDONJSA-N -1 1 349.818 3.638 20 0 EHADMM Cc1cc(CN2CCC(Nc3cccc(C)c3)CC2)oc1C(=O)[O-] ZINC000738736061 600796451 /nfs/dbraw/zinc/79/64/51/600796451.db2.gz IXEFCTWAOCBRAS-UHFFFAOYSA-N -1 1 328.412 3.671 20 0 EHADMM O=C([O-])[C@@H](Sc1nnc(C2CC2)[nH]1)c1ccc(Cl)cc1Cl ZINC000833168888 600836613 /nfs/dbraw/zinc/83/66/13/600836613.db2.gz GATZAXCEEJDZMR-JTQLQIEISA-N -1 1 344.223 3.907 20 0 EHADMM Cc1ccc(-c2cnc(CN3CCC(CCC(=O)[O-])CC3)o2)cc1 ZINC000565426696 601840932 /nfs/dbraw/zinc/84/09/32/601840932.db2.gz LPUZOHNMQOEWIM-UHFFFAOYSA-N -1 1 328.412 3.727 20 0 EHADMM Cc1ccccc1-c1noc([C@@H](C)N2CCC(CCC(=O)[O-])CC2)n1 ZINC000565099804 601840934 /nfs/dbraw/zinc/84/09/34/601840934.db2.gz XYRKZJYGHCDYSD-CQSZACIVSA-N -1 1 343.427 3.683 20 0 EHADMM CN(Cc1ccc(F)c(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825194 601898324 /nfs/dbraw/zinc/89/83/24/601898324.db2.gz GPYZRWQQFORFAY-OAHLLOKOSA-N -1 1 345.267 3.640 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(C(=O)[O-])s1 ZINC000828509023 601955197 /nfs/dbraw/zinc/95/51/97/601955197.db2.gz LPFDDDHPLWYPLH-IGCXYCKISA-N -1 1 331.437 3.797 20 0 EHADMM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccccc2Cl)C(=O)[O-])c1 ZINC000832049073 602163502 /nfs/dbraw/zinc/16/35/02/602163502.db2.gz FIIBJAXCZQIJJJ-APPDUMDISA-N -1 1 349.814 3.834 20 0 EHADMM CCCN(Cc1nc(-c2ccsc2)oc1C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359967 602548078 /nfs/dbraw/zinc/54/80/78/602548078.db2.gz QXAIFALMVLIIHE-CQSZACIVSA-N -1 1 349.456 3.676 20 0 EHADMM O=C([O-])N1CCC(N(Cc2ncc(-c3cccs3)o2)C2CC2)CC1 ZINC000740509023 602705448 /nfs/dbraw/zinc/70/54/48/602705448.db2.gz XGNGAGBHJOYNGT-UHFFFAOYSA-N -1 1 347.440 3.510 20 0 EHADMM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000739032529 602730628 /nfs/dbraw/zinc/73/06/28/602730628.db2.gz ZJELDAGUVUBNIT-LBPRGKRZSA-N -1 1 334.366 3.626 20 0 EHADMM C[C@@H](Oc1ccc(CN2CCc3sccc3[C@@H]2C)cc1)C(=O)[O-] ZINC000833539715 604523450 /nfs/dbraw/zinc/52/34/50/604523450.db2.gz HWLIVWHLLKUENN-QWHCGFSZSA-N -1 1 331.437 3.719 20 0 EHADMM COc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1Cl ZINC000829389955 604776927 /nfs/dbraw/zinc/77/69/27/604776927.db2.gz QQHLOVWSSJUCSQ-UHFFFAOYSA-N -1 1 346.814 3.679 20 0 EHADMM CC(C)(C(=O)[O-])[C@H](NCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000833414955 605181033 /nfs/dbraw/zinc/18/10/33/605181033.db2.gz PWXCYKLBERMCIH-LJQANCHMSA-N -1 1 349.434 3.814 20 0 EHADMM CC(C)(NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000833460833 605234817 /nfs/dbraw/zinc/23/48/17/605234817.db2.gz KNNKZIUMRVTAOT-UHFFFAOYSA-N -1 1 338.201 3.662 20 0 EHADMM CCCN(Cc1csc(-c2ccco2)n1)C1CCN(C(=O)[O-])CC1 ZINC000826916733 605474595 /nfs/dbraw/zinc/47/45/95/605474595.db2.gz QJLTWCHNAGQLNJ-UHFFFAOYSA-N -1 1 349.456 3.758 20 0 EHADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000820462126 606141880 /nfs/dbraw/zinc/14/18/80/606141880.db2.gz VDLMDQZKCHOXOR-RKDXNWHRSA-N -1 1 334.836 3.581 20 0 EHADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000820462126 606141881 /nfs/dbraw/zinc/14/18/81/606141881.db2.gz VDLMDQZKCHOXOR-RKDXNWHRSA-N -1 1 334.836 3.581 20 0 EHADMM CC[C@@H](C)Oc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000820875989 606412963 /nfs/dbraw/zinc/41/29/63/606412963.db2.gz JSXXLFIQVVPUTQ-LLVKDONJSA-N -1 1 329.429 3.718 20 0 EHADMM Clc1nsc(N[C@H](c2ccccc2)C2CC2)c1-c1nnn[n-]1 ZINC000822591132 606445112 /nfs/dbraw/zinc/44/51/12/606445112.db2.gz RTDDSNJUNDVMCG-LLVKDONJSA-N -1 1 332.820 3.540 20 0 EHADMM Clc1nsc(N[C@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000822591132 606445113 /nfs/dbraw/zinc/44/51/13/606445113.db2.gz RTDDSNJUNDVMCG-LLVKDONJSA-N -1 1 332.820 3.540 20 0 EHADMM Clc1ccc(N[C@@H](c2ccccc2)C2CCC2)nc1-c1nnn[n-]1 ZINC000822579116 606465286 /nfs/dbraw/zinc/46/52/86/606465286.db2.gz WBGPHUYGCKJGRR-HNNXBMFYSA-N -1 1 340.818 3.868 20 0 EHADMM Clc1ccc(N[C@@H](c2ccccc2)C2CCC2)nc1-c1nn[n-]n1 ZINC000822579116 606465288 /nfs/dbraw/zinc/46/52/88/606465288.db2.gz WBGPHUYGCKJGRR-HNNXBMFYSA-N -1 1 340.818 3.868 20 0 EHADMM CC(C)[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1Cl ZINC000824200016 607899452 /nfs/dbraw/zinc/89/94/52/607899452.db2.gz ODJVKNMLLATGNH-OAHLLOKOSA-N -1 1 328.807 3.724 20 0 EHADMM CC(C)[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC000824200016 607899453 /nfs/dbraw/zinc/89/94/53/607899453.db2.gz ODJVKNMLLATGNH-OAHLLOKOSA-N -1 1 328.807 3.724 20 0 EHADMM CC(C)(C)[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000824071666 607901609 /nfs/dbraw/zinc/90/16/09/607901609.db2.gz LXRDQJJMBTWJIE-OAHLLOKOSA-N -1 1 326.379 3.600 20 0 EHADMM CC(C)(C)[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000824071666 607901610 /nfs/dbraw/zinc/90/16/10/607901610.db2.gz LXRDQJJMBTWJIE-OAHLLOKOSA-N -1 1 326.379 3.600 20 0 EHADMM Fc1cc(F)c(Sc2snc(Cl)c2-c2nnn[n-]2)c(F)c1 ZINC000826373097 608177748 /nfs/dbraw/zinc/17/77/48/608177748.db2.gz ZBXCDHIYABBQIE-UHFFFAOYSA-N -1 1 349.750 3.545 20 0 EHADMM Fc1cc(F)c(Sc2snc(Cl)c2-c2nn[n-]n2)c(F)c1 ZINC000826373097 608177751 /nfs/dbraw/zinc/17/77/51/608177751.db2.gz ZBXCDHIYABBQIE-UHFFFAOYSA-N -1 1 349.750 3.545 20 0 EHADMM Clc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000737578064 945098206 /nfs/dbraw/zinc/09/82/06/945098206.db2.gz XVHPYLMYCUEAOV-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM Clc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000737578064 945098212 /nfs/dbraw/zinc/09/82/12/945098212.db2.gz XVHPYLMYCUEAOV-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2[nH]1 ZINC000328096430 971446570 /nfs/dbraw/zinc/44/65/70/971446570.db2.gz ZWMKFDRIEYHANK-NWDGAFQWSA-N -1 1 343.427 3.690 20 0 EHADMM CCCCc1nc2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2[nH]1 ZINC000353961124 971529894 /nfs/dbraw/zinc/52/98/94/971529894.db2.gz MRSPQWIRQMAPPA-OLZOCXBDSA-N -1 1 343.427 3.735 20 0 EHADMM O=C([O-])c1cccc(NC(=O)c2cc(-c3c[nH]c4ccccc34)n[nH]2)c1 ZINC001595249418 949541389 /nfs/dbraw/zinc/54/13/89/949541389.db2.gz FOCZZAQDKOYTPM-UHFFFAOYSA-N -1 1 346.346 3.509 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccsc1Br ZINC000388896359 951340998 /nfs/dbraw/zinc/34/09/98/951340998.db2.gz RDBSGKUQNHJLQK-LLVKDONJSA-N -1 1 332.263 3.730 20 0 EHADMM C[C@@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]1C(=O)[O-] ZINC000424274239 953449583 /nfs/dbraw/zinc/44/95/83/953449583.db2.gz YMNYNIDXUDTWSA-BDJLRTHQSA-N -1 1 334.803 3.680 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC001589032715 955530412 /nfs/dbraw/zinc/53/04/12/955530412.db2.gz KWAWALPEZIXACM-CQSZACIVSA-N -1 1 334.460 3.524 20 0 EHADMM COCCN(CCC1(C(=O)[O-])CCC1)Cc1ccc(F)cc1Cl ZINC000903695816 956882375 /nfs/dbraw/zinc/88/23/75/956882375.db2.gz JVYCUEXRRNLTJF-UHFFFAOYSA-N -1 1 343.826 3.573 20 0 EHADMM COc1cccc(-c2csc(CN3CCC(C)(C(=O)[O-])CC3)n2)c1 ZINC001594120043 958592008 /nfs/dbraw/zinc/59/20/08/958592008.db2.gz PIDRPSGVKZFLER-UHFFFAOYSA-N -1 1 346.452 3.505 20 0 EHADMM CC(C)(C)OC(=O)c1ccc(CNCc2cccc(C(=O)[O-])c2)s1 ZINC001588732140 961093549 /nfs/dbraw/zinc/09/35/49/961093549.db2.gz MHSFOIOVSZSJNO-UHFFFAOYSA-N -1 1 347.436 3.691 20 0 EHADMM CCN(CC(=O)[O-])Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000262167385 961517497 /nfs/dbraw/zinc/51/74/97/961517497.db2.gz BYFDZDMOPPKVAO-UHFFFAOYSA-N -1 1 327.302 3.872 20 0 EHADMM O=C([O-])c1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000263378547 967883217 /nfs/dbraw/zinc/88/32/17/967883217.db2.gz CKLYMHOUIGEHRF-OAHLLOKOSA-N -1 1 331.799 3.692 20 0 EHADMM O=C([O-])c1cccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000263378547 967883225 /nfs/dbraw/zinc/88/32/25/967883225.db2.gz CKLYMHOUIGEHRF-OAHLLOKOSA-N -1 1 331.799 3.692 20 0 EHADMM O=C([O-])CCCCN1CCC[C@H]1c1ccc(Br)s1 ZINC000455662441 974150553 /nfs/dbraw/zinc/15/05/53/974150553.db2.gz RGIVFENKFLKIRD-JTQLQIEISA-N -1 1 332.263 3.902 20 0 EHADMM COc1ccc(-c2nc(CN3CCC[C@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000519827787 974336209 /nfs/dbraw/zinc/33/62/09/974336209.db2.gz NNYFRMJDQRELGB-SFHVURJKSA-N -1 1 346.452 3.505 20 0 EHADMM CCCc1nc(C)c(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC000563456569 974535058 /nfs/dbraw/zinc/53/50/58/974535058.db2.gz WTDWLNUBNFYKFZ-CVEARBPZSA-N -1 1 334.460 3.791 20 0 EHADMM CCc1ccc([C@H](C)C(=O)NCCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000067074615 1014208070 /nfs/dbraw/zinc/20/80/70/1014208070.db2.gz BUDQIHFAYCKCGQ-ZDUSSCGKSA-N -1 1 346.500 3.546 20 0 EHADMM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000568296945 974667837 /nfs/dbraw/zinc/66/78/37/974667837.db2.gz ZMUOTOGHNHCCHS-GJZGRUSLSA-N -1 1 346.254 3.866 20 0 EHADMM Cc1oc(CN(C)Cc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000575995773 974806359 /nfs/dbraw/zinc/80/63/59/974806359.db2.gz WWKOKDSVIOSJIH-UHFFFAOYSA-N -1 1 325.311 3.520 20 0 EHADMM CN(Cc1csc(C(=O)[O-])c1)Cc1ccc(OC(F)F)cc1 ZINC000577183685 974830247 /nfs/dbraw/zinc/83/02/47/974830247.db2.gz ADPXSZQZWRMYAO-UHFFFAOYSA-N -1 1 327.352 3.680 20 0 EHADMM COC[C@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000578329465 974852811 /nfs/dbraw/zinc/85/28/11/974852811.db2.gz FAMFPHAXTQUSJU-KRWDZBQOSA-N -1 1 347.842 3.728 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000578756515 974861297 /nfs/dbraw/zinc/86/12/97/974861297.db2.gz WXEZQWOIXVJPQN-APPDUMDISA-N -1 1 337.370 3.679 20 0 EHADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000579719346 1014253968 /nfs/dbraw/zinc/25/39/68/1014253968.db2.gz AYRKVYLJEDVURH-PXAZEXFGSA-N -1 1 345.826 3.862 20 0 EHADMM CC1(C)C[C@@H](NCc2ccc(C(=O)[O-])cc2)c2cc(F)ccc2O1 ZINC000650795937 975452853 /nfs/dbraw/zinc/45/28/53/975452853.db2.gz HGOWXQRPVBPQLP-MRXNPFEDSA-N -1 1 329.371 3.916 20 0 EHADMM CC(C)c1[nH]c(CN2CCC(Nc3ccccc3)CC2)cc1C(=O)[O-] ZINC001591912155 976338118 /nfs/dbraw/zinc/33/81/18/976338118.db2.gz FNPFTDPGLWODEH-UHFFFAOYSA-N -1 1 341.455 3.913 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2sc3ccc(F)cc3c2C)n1 ZINC000339392726 1014339059 /nfs/dbraw/zinc/33/90/59/1014339059.db2.gz UHWCLGMPLIUHCU-UHFFFAOYSA-N -1 1 347.371 3.501 20 0 EHADMM O=C1c2ccc([O-])cc2C/C1=C\c1cc(O)ccc1Br ZINC000187229948 1014484618 /nfs/dbraw/zinc/48/46/18/1014484618.db2.gz BRUTVZWKRMIQRM-IZZDOVSWSA-N -1 1 331.165 3.683 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Sc3ccccn3)o1)CC2 ZINC000859806785 979637415 /nfs/dbraw/zinc/63/74/15/979637415.db2.gz NBNXMDXSTMDAIV-AWEZNQCLSA-N -1 1 344.436 3.513 20 0 EHADMM COCc1ccccc1/C=C(/C)CN[C@H](C(=O)[O-])c1cccs1 ZINC000901598989 980400656 /nfs/dbraw/zinc/40/06/56/980400656.db2.gz RMJPBFPSXMMGMU-QFSNBGPKSA-N -1 1 331.437 3.713 20 0 EHADMM O=C([O-])[C@H](CC(F)F)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901810658 980531851 /nfs/dbraw/zinc/53/18/51/980531851.db2.gz AXVGHADKQLVOJA-NSHDSACASA-N -1 1 346.786 3.662 20 0 EHADMM CC(C)O[C@@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000901908902 980621731 /nfs/dbraw/zinc/62/17/31/980621731.db2.gz XRNITSICIJIJJD-OCCSQVGLSA-N -1 1 334.441 3.658 20 0 EHADMM Cc1ccc(-c2ccc(CN[C@H](C[C@H]3CCCOC3)C(=O)[O-])o2)cc1 ZINC000901931676 980636545 /nfs/dbraw/zinc/63/65/45/980636545.db2.gz XJIXVWIDPTTZDA-CRAIPNDOSA-N -1 1 343.423 3.615 20 0 EHADMM CCSc1cccc(F)c1[N-]C(=O)c1cn(CCC(C)C)nn1 ZINC000484922271 1032101308 /nfs/dbraw/zinc/10/13/08/1032101308.db2.gz ASKQVJMQXTVODJ-UHFFFAOYSA-N -1 1 336.436 3.828 20 0 EHADMM CC[C@](C)(NCc1ccc(O[C@H](C)C(=O)[O-])cc1)c1nc(C)cs1 ZINC000902293842 980821337 /nfs/dbraw/zinc/82/13/37/980821337.db2.gz RGGJEPJHVLICMG-ACJLOTCBSA-N -1 1 348.468 3.718 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(C(F)(F)F)cc1C ZINC000902342427 980840767 /nfs/dbraw/zinc/84/07/67/980840767.db2.gz UOHZHPIJDMRVQF-UHFFFAOYSA-N -1 1 327.302 3.903 20 0 EHADMM CC1(C)C[C@@H](NCc2cc(C(=O)[O-])cs2)c2cc(F)ccc2O1 ZINC000902470865 980901986 /nfs/dbraw/zinc/90/19/86/980901986.db2.gz ROSPMSUGVLODBA-CQSZACIVSA-N -1 1 335.400 3.977 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000903938392 981056769 /nfs/dbraw/zinc/05/67/69/981056769.db2.gz QRCDJSARNAKHRB-DGCLKSJQSA-N -1 1 334.416 3.634 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(OCC2CC2)cc1)c1cc(F)ccc1F ZINC000683172987 1014738016 /nfs/dbraw/zinc/73/80/16/1014738016.db2.gz IWUWVOCEVKUEOH-SFHVURJKSA-N -1 1 347.361 3.669 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1scc(C(=O)[O-])c1C)c1ccccc1 ZINC001596253740 983658418 /nfs/dbraw/zinc/65/84/18/983658418.db2.gz HEZJAODDWRSXMX-OAHLLOKOSA-N -1 1 346.452 3.776 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC001599960348 985768862 /nfs/dbraw/zinc/76/88/62/985768862.db2.gz JSXGGWTYAFRXNY-QGZVFWFLSA-N -1 1 346.402 3.720 20 0 EHADMM CCc1[nH]c(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)cc1C(=O)[O-] ZINC001597384254 987587067 /nfs/dbraw/zinc/58/70/67/987587067.db2.gz ISXBXHXUZYKUDZ-KPZWWZAWSA-N -1 1 330.403 3.998 20 0 EHADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C(=O)[O-])n2C)o1 ZINC001597518261 988136903 /nfs/dbraw/zinc/13/69/03/988136903.db2.gz RXXUDEKHVWEZCG-GUYCJALGSA-N -1 1 330.428 3.852 20 0 EHADMM CCc1oc(CN(CCOC)[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC001597796132 989350368 /nfs/dbraw/zinc/35/03/68/989350368.db2.gz JAXWGMCAVNSMRE-AWEZNQCLSA-N -1 1 331.412 3.750 20 0 EHADMM CCc1oc(CN[C@@H](C)c2ccccc2-n2cccn2)cc1C(=O)[O-] ZINC001597798229 989363209 /nfs/dbraw/zinc/36/32/09/989363209.db2.gz AKZUSVDYXXDKJD-ZDUSSCGKSA-N -1 1 339.395 3.577 20 0 EHADMM CCn1cc([C@H](C)N[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC001597882544 989713424 /nfs/dbraw/zinc/71/34/24/989713424.db2.gz QBLJRGICYIUVGY-XPTSAGLGSA-N -1 1 342.226 3.686 20 0 EHADMM CC(C)(C)c1nnc(S[C@H](C(=O)[O-])c2ccccc2Cl)[nH]1 ZINC001590574712 990215267 /nfs/dbraw/zinc/21/52/67/990215267.db2.gz KUPOKSUSXFNDHA-JTQLQIEISA-N -1 1 325.821 3.674 20 0 EHADMM CC(C)(O)C1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001590892789 990821821 /nfs/dbraw/zinc/82/18/21/990821821.db2.gz LICXMGBOUOEDNH-AWEZNQCLSA-N -1 1 346.254 3.602 20 0 EHADMM CC(C)[C@@H]1CN(Cc2oc(Br)cc2C(=O)[O-])[C@@H]1C(C)C ZINC001591096838 991695386 /nfs/dbraw/zinc/69/53/86/991695386.db2.gz VOTROTJBPUKDIF-SMDDNHRTSA-N -1 1 344.249 3.853 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1OCC(F)F ZINC001598514052 992600012 /nfs/dbraw/zinc/60/00/12/992600012.db2.gz VSTCYHBYPSYTDG-UHFFFAOYSA-N -1 1 335.350 3.661 20 0 EHADMM CN(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccc(OC(F)F)cc1 ZINC001598520259 992671307 /nfs/dbraw/zinc/67/13/07/992671307.db2.gz SBLTWZLZNVGOHA-HJWRWDBZSA-N -1 1 337.322 3.611 20 0 EHADMM COc1ccc(F)cc1CN[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001599584586 993595210 /nfs/dbraw/zinc/59/52/10/993595210.db2.gz NLWWWSZBRUDACU-KRWDZBQOSA-N -1 1 329.371 3.700 20 0 EHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1OC(F)F ZINC001593194699 994139223 /nfs/dbraw/zinc/13/92/23/994139223.db2.gz LSXHUXLYTIHIIJ-NOZJJQNGSA-N -1 1 327.352 3.826 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1cc(C(=O)[O-])c(C)o1)[C@@H]2C ZINC001599625355 994140338 /nfs/dbraw/zinc/14/03/38/994140338.db2.gz BYOUCGVKBNKITD-NWDGAFQWSA-N -1 1 329.396 3.803 20 0 EHADMM C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1cc(C(=O)[O-])co1 ZINC001593198340 994171857 /nfs/dbraw/zinc/17/18/57/994171857.db2.gz QJWCJIOWEIFCEN-STQMWFEESA-N -1 1 325.368 3.575 20 0 EHADMM C[C@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1cc(C(=O)[O-])co1 ZINC001593248237 994471222 /nfs/dbraw/zinc/47/12/22/994471222.db2.gz TXQWRGBBNDXZAK-SDBXPKJASA-N -1 1 344.194 3.669 20 0 EHADMM C[C@@H](NCCSc1cccc(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593271668 994605335 /nfs/dbraw/zinc/60/53/35/994605335.db2.gz KPCGYVOWOBSRFF-SECBINFHSA-N -1 1 342.873 3.938 20 0 EHADMM COc1cccc([C@H](C)N[C@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001599657541 994606181 /nfs/dbraw/zinc/60/61/81/994606181.db2.gz NJKSKDIWOIUODB-UONOGXRCSA-N -1 1 329.396 3.570 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1 ZINC000180213652 1015882152 /nfs/dbraw/zinc/88/21/52/1015882152.db2.gz KAVQFSLQUZFQAE-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM C[C@H](NCc1cccc(C(=O)[O-])n1)c1ccc(-c2ccncc2)cc1 ZINC001593303381 994734045 /nfs/dbraw/zinc/73/40/45/994734045.db2.gz BZORYTINCBLHMN-AWEZNQCLSA-N -1 1 333.391 3.693 20 0 EHADMM C[C@H](NCc1cccc(C(F)F)c1)c1ccccc1OCC(=O)[O-] ZINC001593304772 994754491 /nfs/dbraw/zinc/75/44/91/994754491.db2.gz RVJAVDHAQAJTKZ-LBPRGKRZSA-N -1 1 335.350 3.938 20 0 EHADMM C[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1C(=O)[O-])C1CC1 ZINC001593711247 996211234 /nfs/dbraw/zinc/21/12/34/996211234.db2.gz RVEDWYSOYLXVDZ-CQSZACIVSA-N -1 1 338.407 3.549 20 0 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O=C([N-]c1nnc(SCc2ccccc2)s1)c1nccs1 ZINC000683535123 1017268068 /nfs/dbraw/zinc/26/80/68/1017268068.db2.gz ILPKPOFQISTARD-UHFFFAOYSA-N -1 1 334.451 3.539 20 0 EHADMM O=C(OCc1coc(C2CC2)n1)c1cccc2nc(C(F)F)[nH]c21 ZINC000924085503 1017312450 /nfs/dbraw/zinc/31/24/50/1017312450.db2.gz IFEKRKCTTIEGQB-UHFFFAOYSA-N -1 1 333.294 3.723 20 0 EHADMM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000564765831 1017499182 /nfs/dbraw/zinc/49/91/82/1017499182.db2.gz NWTDGGFCOZZQOQ-UHFFFAOYSA-N -1 1 340.408 3.940 20 0 EHADMM CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)cc1OC ZINC000574147432 1032712179 /nfs/dbraw/zinc/71/21/79/1032712179.db2.gz WPMUTDWABMYKDX-KBPBESRZSA-N -1 1 345.443 3.700 20 0 EHADMM CCC[C@@H](NCc1ncc(Br)cc1[O-])c1ccccn1 ZINC000892911718 1017699030 /nfs/dbraw/zinc/69/90/30/1017699030.db2.gz NJGRXKBKDAGGFM-GFCCVEGCSA-N -1 1 336.233 3.576 20 0 EHADMM Cc1cnc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c([O-])c1 ZINC000547972575 1017825871 /nfs/dbraw/zinc/82/58/71/1017825871.db2.gz 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1020002300 /nfs/dbraw/zinc/00/23/00/1020002300.db2.gz MUNBTXCEPOPPGI-UHFFFAOYSA-N -1 1 336.750 3.621 20 0 EHADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000055638806 1020060761 /nfs/dbraw/zinc/06/07/61/1020060761.db2.gz WKPBDSSJEGENCW-UHFFFAOYSA-N -1 1 332.425 3.534 20 0 EHADMM NC(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)cc1 ZINC001167439765 1020286774 /nfs/dbraw/zinc/28/67/74/1020286774.db2.gz HCFFYZJPXSDBDT-UHFFFAOYSA-N -1 1 340.766 3.550 20 0 EHADMM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc([O-])c(F)c3)C2)c1 ZINC000669743683 1032890274 /nfs/dbraw/zinc/89/02/74/1032890274.db2.gz KDDFARJSESDBFI-GOSISDBHSA-N -1 1 335.325 3.690 20 0 EHADMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)cccc1SC)C1CCCC1 ZINC000656628947 1021064267 /nfs/dbraw/zinc/06/42/67/1021064267.db2.gz SBGYGGWOMUVXJN-AWEZNQCLSA-N -1 1 343.514 3.664 20 0 EHADMM Cc1ccc([C@H]2CCCN2C(=O)c2csc(=NC3CC3)[n-]2)cc1C ZINC000607055137 1032958282 /nfs/dbraw/zinc/95/82/82/1032958282.db2.gz FHDYUPXWPKOKBT-QGZVFWFLSA-N -1 1 341.480 3.733 20 0 EHADMM 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/nfs/dbraw/zinc/21/52/84/1022215284.db2.gz NLKXGYYTLMTZPM-IOFRSVQKSA-N -1 1 348.450 3.509 20 0 EHADMM Cc1ccncc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000085235368 1022410041 /nfs/dbraw/zinc/41/00/41/1022410041.db2.gz IGZHSMVSGIPABC-UHFFFAOYSA-N -1 1 332.425 3.512 20 0 EHADMM C[C@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000517576647 1022458234 /nfs/dbraw/zinc/45/82/34/1022458234.db2.gz XFCIIHOVNYGMLD-HZMBPMFUSA-N -1 1 344.224 3.836 20 0 EHADMM CSc1c(F)cccc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000438253794 1022508036 /nfs/dbraw/zinc/50/80/36/1022508036.db2.gz FJWDULFXUZJDQZ-UHFFFAOYSA-N -1 1 333.413 3.673 20 0 EHADMM [O-]c1cc(Br)cnc1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000894634636 1022647032 /nfs/dbraw/zinc/64/70/32/1022647032.db2.gz MBXIIYRRTVRRAA-GFCCVEGCSA-N -1 1 349.228 3.666 20 0 EHADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(F)cc1[O-] ZINC000532012457 1022834913 /nfs/dbraw/zinc/83/49/13/1022834913.db2.gz BWHJLAYYMYFMPL-QMMMGPOBSA-N -1 1 327.714 3.730 20 0 EHADMM COc1cc(-c2nc(C3CCSCC3)no2)cc(Cl)c1[O-] ZINC000559891491 1022869820 /nfs/dbraw/zinc/86/98/20/1022869820.db2.gz PDCXZIXCEWTZLQ-UHFFFAOYSA-N -1 1 326.805 3.715 20 0 EHADMM CCc1nc(SCc2ccc(-n3ccnc3)cc2C)[n-]c(=O)c1C ZINC000517964784 1022889430 /nfs/dbraw/zinc/88/94/30/1022889430.db2.gz HRPFHXCIHDFBRS-UHFFFAOYSA-N -1 1 340.452 3.839 20 0 EHADMM Cc1ccc(NC(=O)c2cncc([O-])c2)c(OCc2ccccc2)c1 ZINC000548412088 1022995683 /nfs/dbraw/zinc/99/56/83/1022995683.db2.gz JULYMCSVORKKFD-UHFFFAOYSA-N -1 1 334.375 3.927 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000438783163 1022998159 /nfs/dbraw/zinc/99/81/59/1022998159.db2.gz BSRURUFGBSODNO-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438789201 1023001589 /nfs/dbraw/zinc/00/15/89/1023001589.db2.gz HUEJTDGSRYEUOO-UHFFFAOYSA-N -1 1 335.400 3.774 20 0 EHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c(C)c1 ZINC000438808683 1023021107 /nfs/dbraw/zinc/02/11/07/1023021107.db2.gz CHKBWESRJKHCMS-UHFFFAOYSA-N -1 1 341.436 3.803 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1nc2c(s1)C[C@H](C)CC2)c1ccccc1 ZINC000426754264 1023025185 /nfs/dbraw/zinc/02/51/85/1023025185.db2.gz OZDCZRHKJUPMOT-FHSNZYRGSA-N -1 1 344.480 3.820 20 0 EHADMM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000189502499 1023040091 /nfs/dbraw/zinc/04/00/91/1023040091.db2.gz KAARSQNRWOTQGR-LJQANCHMSA-N -1 1 349.430 3.875 20 0 EHADMM COc1ccccc1[C@H](NCc1cccc(OCC(C)C)c1)C(=O)[O-] ZINC000426783701 1023043209 /nfs/dbraw/zinc/04/32/09/1023043209.db2.gz NAKUKUBEXDKOIF-IBGZPJMESA-N -1 1 343.423 3.646 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(-c3cccnc3)c2)o1 ZINC000426803498 1023058165 /nfs/dbraw/zinc/05/81/65/1023058165.db2.gz MUUMGJMWXNJARQ-SFHVURJKSA-N -1 1 336.391 3.956 20 0 EHADMM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2csc(=NC3CC3)[nH]2)C1 ZINC000426836179 1023083566 /nfs/dbraw/zinc/08/35/66/1023083566.db2.gz KUPIYVHCOZQXMA-BZNIZROVSA-N -1 1 345.443 3.502 20 0 EHADMM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000426836179 1023083574 /nfs/dbraw/zinc/08/35/74/1023083574.db2.gz KUPIYVHCOZQXMA-BZNIZROVSA-N -1 1 345.443 3.502 20 0 EHADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000091991420 1023201060 /nfs/dbraw/zinc/20/10/60/1023201060.db2.gz BWIRZSMQSWMANM-SECBINFHSA-N -1 1 348.321 3.888 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000427116013 1023225234 /nfs/dbraw/zinc/22/52/34/1023225234.db2.gz DSFNZTAGFBJEIX-UHFFFAOYSA-N -1 1 348.449 3.804 20 0 EHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)s1 ZINC000431158618 1023360948 /nfs/dbraw/zinc/36/09/48/1023360948.db2.gz CMYMFBNDWGJSHZ-UHFFFAOYSA-N -1 1 347.465 3.864 20 0 EHADMM Cc1ccccc1CS(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000096659592 1023482084 /nfs/dbraw/zinc/48/20/84/1023482084.db2.gz GFQCPSBTFYWGJS-UHFFFAOYSA-N -1 1 329.343 3.956 20 0 EHADMM C[C@H](CN(C)C(=O)c1cc2ccccc2cc1[O-])C(=O)OC(C)(C)C ZINC000458348557 1024002913 /nfs/dbraw/zinc/00/29/13/1024002913.db2.gz IGXQHBKGHNXOJW-CYBMUJFWSA-N -1 1 343.423 3.595 20 0 EHADMM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000094040802 1024163090 /nfs/dbraw/zinc/16/30/90/1024163090.db2.gz UFUHGUJWVMBHKL-AWEZNQCLSA-N -1 1 345.370 3.732 20 0 EHADMM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094057202 1024180646 /nfs/dbraw/zinc/18/06/46/1024180646.db2.gz SSSKUHAHDVMPFE-UHFFFAOYSA-N -1 1 339.326 3.674 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000029046181 1024333950 /nfs/dbraw/zinc/33/39/50/1024333950.db2.gz YOILBBCJKGRTAW-UHFFFAOYSA-N -1 1 335.425 3.531 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000324264466 1024340760 /nfs/dbraw/zinc/34/07/60/1024340760.db2.gz IKVGIQFWXPLGFU-AWEZNQCLSA-N -1 1 349.818 3.609 20 0 EHADMM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000657261631 1024407432 /nfs/dbraw/zinc/40/74/32/1024407432.db2.gz NAUZPUCEQKNRRH-SNVBAGLBSA-N -1 1 337.832 3.572 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(CC)c2ccccc2)n1 ZINC000011443527 1024438137 /nfs/dbraw/zinc/43/81/37/1024438137.db2.gz MAGXKMGXVJAXKK-ZDUSSCGKSA-N -1 1 345.468 3.668 20 0 EHADMM Nc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000892075352 1024579449 /nfs/dbraw/zinc/57/94/49/1024579449.db2.gz MUQJGBJXHIFWJN-MRXNPFEDSA-N -1 1 345.830 3.505 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(Cl)c3C)[nH]c2c1 ZINC000427638452 1024602011 /nfs/dbraw/zinc/60/20/11/1024602011.db2.gz KWOBMJCZGMEJSQ-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cncc([O-])c1 ZINC000346308215 1024633441 /nfs/dbraw/zinc/63/34/41/1024633441.db2.gz HZZXBVQHXIAGGN-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2cncc(F)c2Cl)s1 ZINC000895607736 1024656080 /nfs/dbraw/zinc/65/60/80/1024656080.db2.gz VCBGMRKNQMQVGL-UHFFFAOYSA-N -1 1 328.800 3.711 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2cncc(F)c2Cl)s1 ZINC000895609370 1024656349 /nfs/dbraw/zinc/65/63/49/1024656349.db2.gz LVXOZHAKAJRTSZ-UHFFFAOYSA-N -1 1 328.800 3.882 20 0 EHADMM CCc1nc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)co1 ZINC000346538396 1024844707 /nfs/dbraw/zinc/84/47/07/1024844707.db2.gz VQZQNQZHAWHPCF-UHFFFAOYSA-N -1 1 346.437 3.633 20 0 EHADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(Cl)c1 ZINC000427945696 1024897229 /nfs/dbraw/zinc/89/72/29/1024897229.db2.gz LAWRFWVXBFMPOS-UHFFFAOYSA-N -1 1 327.771 3.996 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCCCC2)n[nH]1)c1ccc(F)cc1 ZINC000474415108 1024919628 /nfs/dbraw/zinc/91/96/28/1024919628.db2.gz RMOAEWXZAOGDBF-UHFFFAOYSA-N -1 1 337.420 3.787 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474427295 1024950057 /nfs/dbraw/zinc/95/00/57/1024950057.db2.gz PBSHITBNHATLNL-UHFFFAOYSA-N -1 1 337.420 3.706 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1F ZINC000071975582 1025066516 /nfs/dbraw/zinc/06/65/16/1025066516.db2.gz QBKNAAQXOGMVIC-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM CC[C@H](NCc1ncc(Br)cc1[O-])c1ccccc1F ZINC000895147853 1025109914 /nfs/dbraw/zinc/10/99/14/1025109914.db2.gz XHPSCCYUCJFLLH-ZDUSSCGKSA-N -1 1 339.208 3.930 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2ccncc2Br)[n-]1 ZINC000629176617 1025214157 /nfs/dbraw/zinc/21/41/57/1025214157.db2.gz VQASZDFPTJRHQS-UHFFFAOYSA-N -1 1 338.230 3.509 20 0 EHADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442245947 1025224465 /nfs/dbraw/zinc/22/44/65/1025224465.db2.gz YSQYAUKSADYCGO-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM COc1cc(C(=O)Nc2cc(F)cc(F)c2OC)cc(Cl)c1[O-] ZINC000442673925 1025417696 /nfs/dbraw/zinc/41/76/96/1025417696.db2.gz WJCYCINKXHTDNI-UHFFFAOYSA-N -1 1 343.713 3.593 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)c(C)c1 ZINC000451075588 1025500291 /nfs/dbraw/zinc/50/02/91/1025500291.db2.gz WZXRUADOFIYHMZ-UHFFFAOYSA-N -1 1 329.421 3.623 20 0 EHADMM CCn1c(CSc2nc(C3CC3)cc(=O)[n-]2)nc2cc(F)ccc21 ZINC000436257092 1025514867 /nfs/dbraw/zinc/51/48/67/1025514867.db2.gz CKEUNSVVDUYIEJ-UHFFFAOYSA-N -1 1 344.415 3.861 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000173376689 1033291258 /nfs/dbraw/zinc/29/12/58/1033291258.db2.gz OVLXMJAJCHYYOQ-HZSPNIEDSA-N -1 1 330.211 3.671 20 0 EHADMM COc1cc(C(=O)Nc2ccc3scnc3c2)cc(Cl)c1[O-] ZINC000442952441 1025604469 /nfs/dbraw/zinc/60/44/69/1025604469.db2.gz KMVFSJVSOGPHRO-UHFFFAOYSA-N -1 1 334.784 3.916 20 0 EHADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cncs1 ZINC000347170052 1025609652 /nfs/dbraw/zinc/60/96/52/1025609652.db2.gz RATFYPGFIIHHKE-UHFFFAOYSA-N -1 1 340.792 3.706 20 0 EHADMM CCOc1ncccc1-c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443196250 1025794253 /nfs/dbraw/zinc/79/42/53/1025794253.db2.gz KUHGUCLDRMUHBM-UHFFFAOYSA-N -1 1 347.758 3.565 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000436506175 1025799356 /nfs/dbraw/zinc/79/93/56/1025799356.db2.gz RYUZKCMXGIRXFX-UHFFFAOYSA-N -1 1 340.162 3.738 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2csc3ccccc23)c1 ZINC000436516929 1025813556 /nfs/dbraw/zinc/81/35/56/1025813556.db2.gz YCOOLUDGPSXWCS-UHFFFAOYSA-N -1 1 341.388 3.575 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000436527324 1025830759 /nfs/dbraw/zinc/83/07/59/1025830759.db2.gz HYQSYHMRFGHBNC-CYBMUJFWSA-N -1 1 333.790 3.890 20 0 EHADMM COc1ccc(C(=O)Nc2cnccc2Oc2ccccc2)c([O-])c1 ZINC000436529876 1025835717 /nfs/dbraw/zinc/83/57/17/1025835717.db2.gz AWBJGVMOLMUMSK-UHFFFAOYSA-N -1 1 336.347 3.840 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000436552018 1025857196 /nfs/dbraw/zinc/85/71/96/1025857196.db2.gz BEJLSYRQUVCDAG-CGTJXYLNSA-N -1 1 325.383 3.940 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H]1Cc1ccccc1 ZINC000436576131 1025882772 /nfs/dbraw/zinc/88/27/72/1025882772.db2.gz KPLKNMUAJJYCLX-AWEZNQCLSA-N -1 1 346.224 3.612 20 0 EHADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C1(C)C ZINC000436562792 1025888635 /nfs/dbraw/zinc/88/86/35/1025888635.db2.gz OESYICPBTPQINH-MSOLQXFVSA-N -1 1 327.424 3.821 20 0 EHADMM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc3ccccc3cc1[O-])CC2 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341.342 3.789 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000443418794 1026012105 /nfs/dbraw/zinc/01/21/05/1026012105.db2.gz ZTPXTOWNFWUFBC-UHFFFAOYSA-N -1 1 344.392 3.541 20 0 EHADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(Br)ccc3[O-])C2)C1 ZINC000436705507 1026067529 /nfs/dbraw/zinc/06/75/29/1026067529.db2.gz OUOGUBQAMYRUHH-BZNIZROVSA-N -1 1 338.245 3.807 20 0 EHADMM COc1ccc(CCNC(=O)c2cc3ccccc3cc2[O-])cc1F ZINC000436725152 1026098768 /nfs/dbraw/zinc/09/87/68/1026098768.db2.gz VSZDJJOUQSHPAP-UHFFFAOYSA-N -1 1 339.366 3.666 20 0 EHADMM CCc1nc(CCNC(=O)c2cc3ccccc3cc2[O-])cs1 ZINC000436723419 1026099943 /nfs/dbraw/zinc/09/99/43/1026099943.db2.gz LLDHRYWHDKJGHO-UHFFFAOYSA-N -1 1 326.421 3.537 20 0 EHADMM COc1cccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436754468 1026144720 /nfs/dbraw/zinc/14/47/20/1026144720.db2.gz ZABIYBMFNYAQEG-UHFFFAOYSA-N -1 1 339.313 3.692 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1cc2cc(F)ccc2o1 ZINC000451641906 1026197694 /nfs/dbraw/zinc/19/76/94/1026197694.db2.gz WGQOOHJJZBFYRJ-NSHDSACASA-N -1 1 347.358 3.676 20 0 EHADMM COc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684870072 1026245185 /nfs/dbraw/zinc/24/51/85/1026245185.db2.gz KHPQCSMDECLCLK-UHFFFAOYSA-N -1 1 339.313 3.692 20 0 EHADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)Oc1ccccc1 ZINC000684874887 1026284615 /nfs/dbraw/zinc/28/46/15/1026284615.db2.gz ZYXQRKGDQJUINI-NSHDSACASA-N -1 1 339.313 3.608 20 0 EHADMM CC1=C(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCC1 ZINC000444354699 1026640378 /nfs/dbraw/zinc/64/03/78/1026640378.db2.gz VQMUDLOTRGLTNL-UHFFFAOYSA-N -1 1 342.439 3.894 20 0 EHADMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000049842172 1026737932 /nfs/dbraw/zinc/73/79/32/1026737932.db2.gz GURYFLRRROIQTA-NSHDSACASA-N -1 1 344.224 3.665 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(F)cc2Br)C1 ZINC000049842172 1026737937 /nfs/dbraw/zinc/73/79/37/1026737937.db2.gz GURYFLRRROIQTA-NSHDSACASA-N -1 1 344.224 3.665 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H](C)Cc3cccs3)nc2)[n-]c(=O)c1C ZINC000301355854 1026775165 /nfs/dbraw/zinc/77/51/65/1026775165.db2.gz KHXNAYUPHHXHPU-NSHDSACASA-N -1 1 340.452 3.966 20 0 EHADMM [O-]c1ccc(Cl)c(Nc2cnc(N3CCCC3)nc2)c1Cl ZINC001211933825 1027570781 /nfs/dbraw/zinc/57/07/81/1027570781.db2.gz LLIYBYXYSGDZSP-UHFFFAOYSA-N -1 1 325.199 3.833 20 0 EHADMM CS[C@@H]1CCC[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078267282 1027594104 /nfs/dbraw/zinc/59/41/04/1027594104.db2.gz HVKKIRISKGSUMF-HUUCEWRRSA-N -1 1 344.484 3.535 20 0 EHADMM Cc1ccc([C@H](C)CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000078294837 1027637152 /nfs/dbraw/zinc/63/71/52/1027637152.db2.gz BTXBZBCAOMKQOI-CQSZACIVSA-N -1 1 348.450 3.973 20 0 EHADMM O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1c[nH]nc1-c1ccccc1 ZINC000179095122 1027668003 /nfs/dbraw/zinc/66/80/03/1027668003.db2.gz MKSQCCNFXIIZRN-ZHACJKMWSA-N -1 1 343.383 3.628 20 0 EHADMM O=c1nc(-c2cnccn2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000054751958 1028245998 /nfs/dbraw/zinc/24/59/98/1028245998.db2.gz RZJDLMVQRZTRNB-UHFFFAOYSA-N -1 1 340.795 3.762 20 0 EHADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000055622216 1028281474 /nfs/dbraw/zinc/28/14/74/1028281474.db2.gz KISJBZNDDNTIDU-UHFFFAOYSA-N -1 1 344.845 3.551 20 0 EHADMM COc1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)nc1 ZINC000445447667 1028806490 /nfs/dbraw/zinc/80/64/90/1028806490.db2.gz IRVADDGJVLSJQZ-CLTKARDFSA-N -1 1 329.743 3.670 20 0 EHADMM COc1cccc([C@H]2C[C@@H]2c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445472341 1028819736 /nfs/dbraw/zinc/81/97/36/1028819736.db2.gz KIMDGHZSEYHMHN-KGLIPLIRSA-N -1 1 326.327 3.861 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3COc4ccc(Cl)cc4C3)n2)cc1F ZINC000445479161 1028836915 /nfs/dbraw/zinc/83/69/15/1028836915.db2.gz FMQPHDSCSOIYCN-LLVKDONJSA-N -1 1 346.745 3.953 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C/c3cnn(-c4ccccc4)c3)n2)cc1F ZINC000445479819 1028838353 /nfs/dbraw/zinc/83/83/53/1028838353.db2.gz IDBYAVPOONYQBW-RMKNXTFCSA-N -1 1 348.337 3.937 20 0 EHADMM CCS[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153947831 1028936788 /nfs/dbraw/zinc/93/67/88/1028936788.db2.gz DYAXZNDSUOOCMA-NWDGAFQWSA-N -1 1 343.876 3.848 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H](C2CCCC2)C1 ZINC000421950160 1028955605 /nfs/dbraw/zinc/95/56/05/1028955605.db2.gz NSHDNUKPRSCFBI-CYBMUJFWSA-N -1 1 338.245 3.807 20 0 EHADMM Cc1ccc(-c2ncc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])s2)cc1 ZINC000424424743 1029046878 /nfs/dbraw/zinc/04/68/78/1029046878.db2.gz XAZWELWDJLTNDV-CZUORRHYSA-N -1 1 330.453 3.804 20 0 EHADMM C[C@H]1CCCN(Cc2ccc(-c3cccc(F)c3F)o2)[C@@H]1C(=O)[O-] ZINC000424411750 1029054551 /nfs/dbraw/zinc/05/45/51/1029054551.db2.gz BOWWLAWTMHFSBX-GTNSWQLSSA-N -1 1 335.350 3.910 20 0 EHADMM CCN(CCc1nccs1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271972341 1029253340 /nfs/dbraw/zinc/25/33/40/1029253340.db2.gz HXFAUBKAPGSAHO-UHFFFAOYSA-N -1 1 344.358 3.572 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000078672624 1029408888 /nfs/dbraw/zinc/40/88/88/1029408888.db2.gz FXKSWRXGCMWBGC-LJQANCHMSA-N -1 1 333.387 3.759 20 0 EHADMM C[C@@]1(c2ccccc2)CN(C(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000150877559 1029560697 /nfs/dbraw/zinc/56/06/97/1029560697.db2.gz MCVKBGFKXNZVQL-QFIPXVFZSA-N -1 1 347.414 3.933 20 0 EHADMM CN(Cc1cccc2ccccc21)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079404303 1029639298 /nfs/dbraw/zinc/63/92/98/1029639298.db2.gz CCWYFRBPCRSCDD-UHFFFAOYSA-N -1 1 343.386 3.761 20 0 EHADMM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079411334 1029640283 /nfs/dbraw/zinc/64/02/83/1029640283.db2.gz USZLPDVIGYKRJL-NSHDSACASA-N -1 1 341.798 3.822 20 0 EHADMM O=C([N-]c1cc(F)cc(F)c1F)c1cc(F)c([N+](=O)[O-])cc1F ZINC000322103824 1029704608 /nfs/dbraw/zinc/70/46/08/1029704608.db2.gz HUTTVFBAULRLKR-UHFFFAOYSA-N -1 1 332.184 3.543 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000446713141 1029757143 /nfs/dbraw/zinc/75/71/43/1029757143.db2.gz VTYYQTCVVQRQNV-UHFFFAOYSA-N -1 1 344.773 3.795 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1OC(C)C ZINC000525535664 1029884007 /nfs/dbraw/zinc/88/40/07/1029884007.db2.gz JVOSVSZRSJDACX-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc2ccccc2c1[O-] ZINC000447061117 1029897571 /nfs/dbraw/zinc/89/75/71/1029897571.db2.gz UHKOURUWCIAPHB-UHFFFAOYSA-N -1 1 337.423 3.838 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c1 ZINC000481864018 1030056627 /nfs/dbraw/zinc/05/66/27/1030056627.db2.gz YCRQZTCIHDNJIO-UHFFFAOYSA-N -1 1 326.421 3.906 20 0 EHADMM Cc1c(=O)[n-]c(SCC(=O)c2nccs2)nc1-c1ccccc1 ZINC000447285413 1030065642 /nfs/dbraw/zinc/06/56/42/1030065642.db2.gz PDGCNIXBIUXWES-UHFFFAOYSA-N -1 1 343.433 3.589 20 0 EHADMM Cn1ncc2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc21 ZINC000201709299 1030211606 /nfs/dbraw/zinc/21/16/06/1030211606.db2.gz YZPZFGJLBHSCBN-UHFFFAOYSA-N -1 1 337.404 3.527 20 0 EHADMM CCCCC[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000042351118 1030287093 /nfs/dbraw/zinc/28/70/93/1030287093.db2.gz GJOUVPHORJIEKC-VIFPVBQESA-N -1 1 340.308 3.758 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1 ZINC000532037460 1030302203 /nfs/dbraw/zinc/30/22/03/1030302203.db2.gz YHKOMILESQBGEK-UHFFFAOYSA-N -1 1 342.420 3.824 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)[nH]n1 ZINC000532113934 1030384737 /nfs/dbraw/zinc/38/47/37/1030384737.db2.gz SWTVWHDJGXXUDD-LLVKDONJSA-N -1 1 333.413 3.860 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCOc2c(F)cccc2C1 ZINC000447866471 1030559893 /nfs/dbraw/zinc/55/98/93/1030559893.db2.gz RHSBISRHHKQODH-UHFFFAOYSA-N -1 1 337.350 3.719 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1F ZINC000061122733 1030736418 /nfs/dbraw/zinc/73/64/18/1030736418.db2.gz YPUKTPIJJUJYDU-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM CC(=O)c1cc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)ccc1C ZINC000448114451 1030739240 /nfs/dbraw/zinc/73/92/40/1030739240.db2.gz UENBCAKWXZMIQI-UHFFFAOYSA-N -1 1 339.420 3.632 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3C[C@@H](c4ccccc4)C[C@@H]3C)cnc2n1 ZINC000115721495 1030912893 /nfs/dbraw/zinc/91/28/93/1030912893.db2.gz UEGOBBKXSNHALU-HOCLYGCPSA-N -1 1 347.418 3.662 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@@H](c3ccccc3)C[C@@H]1C)c2=O ZINC000115721495 1030912908 /nfs/dbraw/zinc/91/29/08/1030912908.db2.gz UEGOBBKXSNHALU-HOCLYGCPSA-N -1 1 347.418 3.662 20 0 EHADMM CC1(c2cc([N-]C(=O)c3cc(-c4ccccc4)no3)no2)CCCC1 ZINC000448417145 1031039027 /nfs/dbraw/zinc/03/90/27/1031039027.db2.gz XUUMFYLVYZPHLK-UHFFFAOYSA-N -1 1 337.379 3.836 20 0 EHADMM CC(C)c1ncc2c(n1)CCN(C(=O)c1cc3ccccc3cc1[O-])C2 ZINC000527618580 1031041292 /nfs/dbraw/zinc/04/12/92/1031041292.db2.gz FMCWEYLLILPSSD-UHFFFAOYSA-N -1 1 347.418 3.657 20 0 EHADMM Cc1ccc2cc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)ccc2n1 ZINC000448454905 1031115755 /nfs/dbraw/zinc/11/57/55/1031115755.db2.gz PKLLBNXBXAZWTI-UHFFFAOYSA-N -1 1 344.374 3.891 20 0 EHADMM CCc1csc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000632466011 1031143808 /nfs/dbraw/zinc/14/38/08/1031143808.db2.gz MOGILBMBKXLKSG-QMMMGPOBSA-N -1 1 348.852 3.538 20 0 EHADMM O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc([O-])cc1F ZINC000163672949 1031591222 /nfs/dbraw/zinc/59/12/22/1031591222.db2.gz VWMLLAWFZMXCLM-UHFFFAOYSA-N -1 1 345.761 3.682 20 0 EHADMM CC(C)Oc1cccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000904045596 1031663290 /nfs/dbraw/zinc/66/32/90/1031663290.db2.gz JSDBWYRDDNPUEO-SFHVURJKSA-N -1 1 331.387 3.919 20 0 EHADMM Cc1cc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)ccc1C(=O)[O-] ZINC000904078298 1031708271 /nfs/dbraw/zinc/70/82/71/1031708271.db2.gz YBMOZDUNZFFYFA-RCBQFDQVSA-N -1 1 341.411 3.727 20 0 EHADMM C[C@@H](c1cccs1)N(C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904191637 1031837560 /nfs/dbraw/zinc/83/75/60/1031837560.db2.gz VDVQAMJQXBEFGV-ZDUSSCGKSA-N -1 1 348.468 3.835 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1nc2ccccc2n1C(F)F ZINC000584184076 1031888877 /nfs/dbraw/zinc/88/88/77/1031888877.db2.gz KRXHWJYAWVFFDM-WOPDTQHZSA-N -1 1 337.370 3.505 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000537839036 1031955104 /nfs/dbraw/zinc/95/51/04/1031955104.db2.gz RJYBYLNJKMILBO-UHFFFAOYSA-N -1 1 341.791 3.605 20 0 EHADMM CCCc1ccc(CN[C@H](CSCC=C(C)C)C(=O)[O-])s1 ZINC000598586042 1033313204 /nfs/dbraw/zinc/31/32/04/1033313204.db2.gz NNYAZKQMNNLWTH-OAHLLOKOSA-N -1 1 327.515 3.943 20 0 EHADMM O=C(Nc1nc2ccccc2n1C1CC1)c1c(F)ccc([O-])c1F ZINC000685455018 1033350742 /nfs/dbraw/zinc/35/07/42/1033350742.db2.gz UZROHCCLBCMYNG-UHFFFAOYSA-N -1 1 329.306 3.607 20 0 EHADMM CCN(Cc1cccs1)C(=O)c1ccc(Br)cc1[O-] ZINC000044490935 1033496608 /nfs/dbraw/zinc/49/66/08/1033496608.db2.gz NZLCVSZNFWNHNZ-UHFFFAOYSA-N -1 1 340.242 3.879 20 0 EHADMM C[C@@H](Cc1ccsc1)NC(=O)c1ccc(Br)cc1[O-] ZINC000044491038 1033499647 /nfs/dbraw/zinc/49/96/47/1033499647.db2.gz HOMDLFYLHXORFR-VIFPVBQESA-N -1 1 340.242 3.577 20 0 EHADMM O=c1cc(CN(Cc2ccccc2F)C2CC2)c2ccc([O-])cc2o1 ZINC000170754167 1033588804 /nfs/dbraw/zinc/58/88/04/1033588804.db2.gz IGVARTYLHZPVKM-UHFFFAOYSA-N -1 1 339.366 3.802 20 0 EHADMM O=C(CNc1cccc(C(F)(F)F)c1)Nc1c([O-])cccc1F ZINC000608365476 1033639267 /nfs/dbraw/zinc/63/92/67/1033639267.db2.gz GBDBEHGWXSYOLV-UHFFFAOYSA-N -1 1 328.265 3.601 20 0 EHADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460428694 1033820139 /nfs/dbraw/zinc/82/01/39/1033820139.db2.gz PFPNADWNPRKKIG-UHFFFAOYSA-N -1 1 347.436 3.572 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000055586225 1033967814 /nfs/dbraw/zinc/96/78/14/1033967814.db2.gz OVNIMWPXWSLNOC-UHFFFAOYSA-N -1 1 346.383 3.954 20 0 EHADMM CC(=O)N(C)c1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000118262115 1034015183 /nfs/dbraw/zinc/01/51/83/1034015183.db2.gz ONKGGWUKPGVSMS-UHFFFAOYSA-N -1 1 334.375 3.780 20 0 EHADMM CO[C@@H]1COCC[C@@H]1CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538553 1034168729 /nfs/dbraw/zinc/16/87/29/1034168729.db2.gz DSMHSCLXNNUQPC-BDJLRTHQSA-N -1 1 349.814 3.579 20 0 EHADMM Cc1ccccc1CCN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000450594921 1034566505 /nfs/dbraw/zinc/56/65/05/1034566505.db2.gz UBPWNNIPWDKQKE-UHFFFAOYSA-N -1 1 348.450 3.848 20 0 EHADMM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456778750 1034723483 /nfs/dbraw/zinc/72/34/83/1034723483.db2.gz HSRPNVAUMAVSDJ-SUNKGSAMSA-N -1 1 327.371 3.983 20 0 EHADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000605446914 1034739317 /nfs/dbraw/zinc/73/93/17/1034739317.db2.gz SYIPGWYBKPKKTI-UHFFFAOYSA-N -1 1 348.733 3.829 20 0 EHADMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000456837695 1034783854 /nfs/dbraw/zinc/78/38/54/1034783854.db2.gz BSWDSYRVHYEYMR-CHWSQXEVSA-N -1 1 337.489 3.549 20 0 EHADMM CC1=CC[C@](C)(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000612381333 1034864434 /nfs/dbraw/zinc/86/44/34/1034864434.db2.gz BYCPXWIPNQHWDH-NRFANRHFSA-N -1 1 341.451 3.950 20 0 EHADMM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000375898935 1034870719 /nfs/dbraw/zinc/87/07/19/1034870719.db2.gz ZAXJBDZOLLPHKD-KBXCAEBGSA-N -1 1 347.418 3.537 20 0 EHADMM O=C([O-])c1cnc(CN2CCCCC[C@H]2/C=C\c2cccs2)cn1 ZINC000530161271 1035030954 /nfs/dbraw/zinc/03/09/54/1035030954.db2.gz ADZXRSOMOHBOIK-LZNQSLFOSA-N -1 1 343.452 3.694 20 0 EHADMM COc1cc(C(=O)NCc2cnccc2C(C)(C)C)cc(Cl)c1[O-] ZINC000413944312 1035265278 /nfs/dbraw/zinc/26/52/78/1035265278.db2.gz ZMKIULBIZZLMLF-UHFFFAOYSA-N -1 1 348.830 3.677 20 0 EHADMM CCOc1cc(C(=O)N(C)CCOc2ccccc2)cc(Cl)c1[O-] ZINC000192988448 1035629213 /nfs/dbraw/zinc/62/92/13/1035629213.db2.gz UIAYVUXUPPKDDR-UHFFFAOYSA-N -1 1 349.814 3.595 20 0 EHADMM CCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(Cl)c1[O-] ZINC000186425463 1035630645 /nfs/dbraw/zinc/63/06/45/1035630645.db2.gz IBINIUCTBOCPSI-UHFFFAOYSA-N -1 1 331.759 3.573 20 0 EHADMM COC(=O)c1cnc(S[C@@H](C)c2ncc(-c3ccccc3)o2)[n-]1 ZINC000187590620 1035841497 /nfs/dbraw/zinc/84/14/97/1035841497.db2.gz ZEPKYNFKDHNBJV-JTQLQIEISA-N -1 1 329.381 3.705 20 0 EHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000187590620 1035841523 /nfs/dbraw/zinc/84/15/23/1035841523.db2.gz ZEPKYNFKDHNBJV-JTQLQIEISA-N -1 1 329.381 3.705 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)c1 ZINC000588632848 1035917521 /nfs/dbraw/zinc/91/75/21/1035917521.db2.gz NZVXDYJGYKSUPE-UHFFFAOYSA-N -1 1 341.379 3.748 20 0 EHADMM CCC1(CC)CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000189130579 1036019544 /nfs/dbraw/zinc/01/95/44/1036019544.db2.gz LVLMOCUPPJYUSW-UHFFFAOYSA-N -1 1 347.503 3.808 20 0 EHADMM C[C@@H](Oc1ccccc1Cl)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000588925124 1036185727 /nfs/dbraw/zinc/18/57/27/1036185727.db2.gz DATWRJIGWSGRCX-SNVBAGLBSA-N -1 1 347.827 3.620 20 0 EHADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000307767952 1036263071 /nfs/dbraw/zinc/26/30/71/1036263071.db2.gz ALHZYCQJJXQYRO-NSHDSACASA-N -1 1 326.234 3.663 20 0 EHADMM O=C(Nc1cccc(N2CCCC2=O)c1)Nc1ccc([O-])c(Cl)c1 ZINC000190927075 1036303419 /nfs/dbraw/zinc/30/34/19/1036303419.db2.gz SZZJTISSTUACJW-UHFFFAOYSA-N -1 1 345.786 3.816 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1nc(C(C)(C)C)no1 ZINC000175581840 1036441757 /nfs/dbraw/zinc/44/17/57/1036441757.db2.gz JHHOFCMNSYSKKR-LLVKDONJSA-N -1 1 339.395 3.717 20 0 EHADMM CCSc1ccccc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000589690069 1036595156 /nfs/dbraw/zinc/59/51/56/1036595156.db2.gz HVEKKOQQVQWUAS-UHFFFAOYSA-N -1 1 329.450 3.924 20 0 EHADMM COc1ccc(OC)c([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000302635441 1036661807 /nfs/dbraw/zinc/66/18/07/1036661807.db2.gz IGOPRQNGCQZFGB-JTQLQIEISA-N -1 1 335.787 3.554 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000176688150 1036675535 /nfs/dbraw/zinc/67/55/35/1036675535.db2.gz BOSKWUQSQMVDII-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(F)cc1F ZINC000176725360 1036683655 /nfs/dbraw/zinc/68/36/55/1036683655.db2.gz RJXACGKNYLKXRT-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001212161931 1036717278 /nfs/dbraw/zinc/71/72/78/1036717278.db2.gz JIRIXANEZHUQAB-NWDGAFQWSA-N -1 1 349.418 3.989 20 0 EHADMM CSC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000590462460 1036879013 /nfs/dbraw/zinc/87/90/13/1036879013.db2.gz ILCMDPPYCOIJNW-JTQLQIEISA-N -1 1 333.375 3.626 20 0 EHADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000025323626 1036908000 /nfs/dbraw/zinc/90/80/00/1036908000.db2.gz UKCCKYKHDPKLQB-UHFFFAOYSA-N -1 1 328.397 3.877 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C[C@H]1C ZINC000648490548 1036965127 /nfs/dbraw/zinc/96/51/27/1036965127.db2.gz LYKQWKSPFDWZQO-RKVPGOIHSA-N -1 1 343.467 3.886 20 0 EHADMM Cc1nc(SCc2nnc(-c3ccccc3Cl)o2)[n-]c(=O)c1C ZINC000539615619 1036980407 /nfs/dbraw/zinc/98/04/07/1036980407.db2.gz HURVEWAPRRLRDM-UHFFFAOYSA-N -1 1 348.815 3.795 20 0 EHADMM CCOc1cc(C(=O)NC[C@H]2CCc3ccccc32)cc(Cl)c1[O-] ZINC000186804015 1037025861 /nfs/dbraw/zinc/02/58/61/1037025861.db2.gz SMOXJOXRDTUTLP-CYBMUJFWSA-N -1 1 345.826 3.904 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC000176517850 1037033338 /nfs/dbraw/zinc/03/33/38/1037033338.db2.gz HMAHSJYWVTUECC-UHFFFAOYSA-N -1 1 329.421 3.569 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc(O)c2F)cc(Cl)c1[O-] ZINC000186978817 1037162481 /nfs/dbraw/zinc/16/24/81/1037162481.db2.gz ZZUONEUTGSGTTK-UHFFFAOYSA-N -1 1 325.723 3.541 20 0 EHADMM C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000647604426 1037433350 /nfs/dbraw/zinc/43/33/50/1037433350.db2.gz QSRXKKQTVGDEHD-SSDOTTSWSA-N -1 1 346.239 3.524 20 0 EHADMM Cc1cc(-n2ccnc2)ccc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000475885789 1037860976 /nfs/dbraw/zinc/86/09/76/1037860976.db2.gz YVRCZMYPLSGFCK-UHFFFAOYSA-N -1 1 326.425 3.585 20 0 EHADMM CC[C@@]1(C)Oc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2O1 ZINC000540570132 1038088824 /nfs/dbraw/zinc/08/88/24/1038088824.db2.gz ZBZFFYQEZABBEQ-KRWDZBQOSA-N -1 1 335.306 3.820 20 0 EHADMM CN(Cc1cc(F)c(F)c(F)c1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000180489913 1038190194 /nfs/dbraw/zinc/19/01/94/1038190194.db2.gz DRHXHMCGFLJLKZ-UHFFFAOYSA-N -1 1 349.308 3.548 20 0 EHADMM O=C(c1c([O-])cnc2c(F)cccc21)N(CCC1CC1)CC1CC1 ZINC001167730844 1038193018 /nfs/dbraw/zinc/19/30/18/1038193018.db2.gz NICONBXGSFXXFW-UHFFFAOYSA-N -1 1 328.387 3.732 20 0 EHADMM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000183416732 1038706975 /nfs/dbraw/zinc/70/69/75/1038706975.db2.gz HCYGTXDNRGOKTR-CSKARUKUSA-N -1 1 332.743 3.996 20 0 EHADMM CC1(C)[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1(F)F ZINC000660020983 1038719477 /nfs/dbraw/zinc/71/94/77/1038719477.db2.gz IGWQHQZYAHTIEJ-VIFPVBQESA-N -1 1 344.210 3.563 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2cc(C)c3ncccc3c2)[n-]c1=O ZINC000432692831 1038783418 /nfs/dbraw/zinc/78/34/18/1038783418.db2.gz GCVVBBCAIWTPPA-UKTHLTGXSA-N -1 1 349.390 3.776 20 0 EHADMM C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000910244895 1038784244 /nfs/dbraw/zinc/78/42/44/1038784244.db2.gz IJKPLVXSPWNUPF-BDJLRTHQSA-N -1 1 349.390 3.566 20 0 EHADMM Cc1cccc([C@@H](NCc2ccc(C(F)(F)F)cn2)C(=O)[O-])c1C ZINC000905398585 1038855991 /nfs/dbraw/zinc/85/59/91/1038855991.db2.gz DGRGTMHZKXWATJ-OAHLLOKOSA-N -1 1 338.329 3.633 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c(OC(C)C)c1 ZINC000488218399 1038966977 /nfs/dbraw/zinc/96/69/77/1038966977.db2.gz GHTPRANUJLHSQP-UHFFFAOYSA-N -1 1 349.452 3.846 20 0 EHADMM C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001625896256 1039329175 /nfs/dbraw/zinc/32/91/75/1039329175.db2.gz JSASKNZEIMDYEJ-VIFPVBQESA-N -1 1 337.297 3.657 20 0 EHADMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC(F)F ZINC000645796510 1039484507 /nfs/dbraw/zinc/48/45/07/1039484507.db2.gz ZRDWWUZDNQVMLZ-ZETCQYMHSA-N -1 1 332.199 3.563 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000912040823 1039655643 /nfs/dbraw/zinc/65/56/43/1039655643.db2.gz JHHDRRSBYNVLMU-INIZCTEOSA-N -1 1 328.799 3.808 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1Br ZINC000112334351 1039775554 /nfs/dbraw/zinc/77/55/54/1039775554.db2.gz GIJBISJWLWEUBN-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM CC(/C=C/c1cc(=O)n2[n-]cnc2n1)=C\c1cccc(C(F)(F)F)c1 ZINC000486143581 1039918389 /nfs/dbraw/zinc/91/83/89/1039918389.db2.gz HEBNGICFPFLDIF-LCAICKDSSA-N -1 1 346.312 3.553 20 0 EHADMM C=CC[C@@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000188423719 1039956445 /nfs/dbraw/zinc/95/64/45/1039956445.db2.gz JVLCJZJTMQPNQA-CQSZACIVSA-N -1 1 346.789 3.600 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-][C@@](C)(c1ccccc1)C(F)(F)F ZINC000479125880 1039978045 /nfs/dbraw/zinc/97/80/45/1039978045.db2.gz BEMQYIZSCUCPPM-ZDUSSCGKSA-N -1 1 349.399 3.813 20 0 EHADMM Cc1cc(CNCc2cccc3c2OC(C)(C)C3)ccc1C(=O)[O-] ZINC000417666879 1040145212 /nfs/dbraw/zinc/14/52/12/1040145212.db2.gz GXFGQCKLQWNUDG-UHFFFAOYSA-N -1 1 325.408 3.697 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cncc(C)c2)cc1C(C)C ZINC000432954552 1040256953 /nfs/dbraw/zinc/25/69/53/1040256953.db2.gz IDLRLDNRZUCANK-UHFFFAOYSA-N -1 1 334.441 3.631 20 0 EHADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000908052587 1040278710 /nfs/dbraw/zinc/27/87/10/1040278710.db2.gz DVXXUQSMYVUREH-BJWYYQGGSA-N -1 1 349.434 3.610 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc(Cl)c1[O-] ZINC000192952721 1040321072 /nfs/dbraw/zinc/32/10/72/1040321072.db2.gz LHZKOOIPFFZKHF-UHFFFAOYSA-N -1 1 348.786 3.655 20 0 EHADMM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(-c2cncc(Cl)n2)c1=O ZINC000899347142 1040352789 /nfs/dbraw/zinc/35/27/89/1040352789.db2.gz JZVVAPPJXGVKCQ-CQSZACIVSA-N -1 1 349.221 3.807 20 0 EHADMM COC(=O)[C@@H](NCc1cccc([O-])c1Cl)c1ccc(C)c(C)c1 ZINC000512701075 1040566725 /nfs/dbraw/zinc/56/67/25/1040566725.db2.gz HSOKLBQSIKHWLP-KRWDZBQOSA-N -1 1 333.815 3.666 20 0 EHADMM Cc1noc(C2CC2)c1C(=O)Nc1cccc([O-])c1Br ZINC000908710451 1040605343 /nfs/dbraw/zinc/60/53/43/1040605343.db2.gz QMURDSMHYOFDHN-UHFFFAOYSA-N -1 1 337.173 3.581 20 0 EHADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([O-])c1Br ZINC000908712154 1040606667 /nfs/dbraw/zinc/60/66/67/1040606667.db2.gz AMGWOCDBDTUMKY-GWCFXTLKSA-N -1 1 342.233 3.689 20 0 EHADMM CCn1c(C)cc(C(=O)Nc2cccc([O-])c2Br)c1C ZINC000908714778 1040610914 /nfs/dbraw/zinc/61/09/14/1040610914.db2.gz MPFDKDJJCGPQLV-UHFFFAOYSA-N -1 1 337.217 3.845 20 0 EHADMM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cc(C(C)C)no1 ZINC000429878817 1041069189 /nfs/dbraw/zinc/06/91/89/1041069189.db2.gz UTLFWHCHELJDGR-UHFFFAOYSA-N -1 1 342.424 3.958 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)C1(c2cccnc2)CC2(CCC2)C1 ZINC000909973360 1041088599 /nfs/dbraw/zinc/08/85/99/1041088599.db2.gz XXERZJMRVNGDOW-UHFFFAOYSA-N -1 1 344.361 3.906 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)c1cccc([C@H]2CCCOC2)c1 ZINC000909984914 1041094342 /nfs/dbraw/zinc/09/43/42/1041094342.db2.gz CGGWNWJSHUOQLH-ZDUSSCGKSA-N -1 1 333.334 3.817 20 0 EHADMM Cc1ccc(Br)c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000194577969 1041296103 /nfs/dbraw/zinc/29/61/03/1041296103.db2.gz YSNBWWNVAMSYRO-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM O=[N+]([O-])c1ccc(NN=Cc2ccc([O-])c(Br)c2)cc1 ZINC000254837148 1042628819 /nfs/dbraw/zinc/62/88/19/1042628819.db2.gz SGGKKXJJFIZGNF-UHFFFAOYSA-N -1 1 336.145 3.509 20 0 EHADMM Cc1cccc([C@@H](NC(=O)c2c([O-])cccc2F)c2ccccn2)c1 ZINC000185864677 1042643632 /nfs/dbraw/zinc/64/36/32/1042643632.db2.gz BWCAUNVYBNBDLU-LJQANCHMSA-N -1 1 336.366 3.754 20 0 EHADMM COc1cc(C(=O)Nc2ccc(F)cc2[O-])cc(OC)c1C(C)C ZINC000512014998 1042985595 /nfs/dbraw/zinc/98/55/95/1042985595.db2.gz AAXYTJXBCDXULC-UHFFFAOYSA-N -1 1 333.359 3.924 20 0 EHADMM Cc1cncc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000432373982 1043022299 /nfs/dbraw/zinc/02/22/99/1043022299.db2.gz QUOXPKXDBIRYPC-UHFFFAOYSA-N -1 1 334.441 3.616 20 0 EHADMM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1ccccc1C(F)(F)F ZINC000324746810 1043328107 /nfs/dbraw/zinc/32/81/07/1043328107.db2.gz QCJJQLXWORWROD-INIZCTEOSA-N -1 1 335.325 3.717 20 0 EHADMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1ccsc1 ZINC000235202338 1043695604 /nfs/dbraw/zinc/69/56/04/1043695604.db2.gz IBTMGJPEPHSSAV-MRVPVSSYSA-N -1 1 326.215 3.707 20 0 EHADMM COC(=O)c1c[n-]c(SCc2coc(-c3ccc(Cl)cc3)n2)n1 ZINC000432668547 1044658603 /nfs/dbraw/zinc/65/86/03/1044658603.db2.gz KJYIBAUXFIAPHU-UHFFFAOYSA-N -1 1 349.799 3.797 20 0 EHADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153915468 1125674646 /nfs/dbraw/zinc/67/46/46/1125674646.db2.gz DKCCNMJMILHNTN-RYUDHWBXSA-N -1 1 343.876 3.800 20 0 EHADMM CCC[C@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000154054850 1125688033 /nfs/dbraw/zinc/68/80/33/1125688033.db2.gz DXEMZDIYPXFRTN-NSHDSACASA-N -1 1 326.234 3.807 20 0 EHADMM CC(C)C[C@H](NC(=O)c1ccc([O-])cc1F)c1nc2ccccc2[nH]1 ZINC000154861510 1125761171 /nfs/dbraw/zinc/76/11/71/1125761171.db2.gz JTSGBNIHUUCTHA-KRWDZBQOSA-N -1 1 341.386 3.925 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000622661891 1126736868 /nfs/dbraw/zinc/73/68/68/1126736868.db2.gz VUYHAUDZFVSQFP-UHFFFAOYSA-N -1 1 339.288 3.790 20 0 EHADMM CC(C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000172832975 1126815998 /nfs/dbraw/zinc/81/59/98/1126815998.db2.gz NMDAFBXHEMNHHA-CQSZACIVSA-N -1 1 346.452 3.718 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1F ZINC000180018601 1127110811 /nfs/dbraw/zinc/11/08/11/1127110811.db2.gz BGNSBUOKJRFXFI-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)[C@H]2CCCC[C@H]12 ZINC000180533271 1127169461 /nfs/dbraw/zinc/16/94/61/1127169461.db2.gz CORAEDWJRDDWPU-QKCSRTOESA-N -1 1 338.245 3.805 20 0 EHADMM CCc1ccccc1NC(=O)[C@@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000195086765 1127473510 /nfs/dbraw/zinc/47/35/10/1127473510.db2.gz FGKPNKGTLJTNEW-LLVKDONJSA-N -1 1 343.452 3.741 20 0 EHADMM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@H]2CCC[C@H]2C)[nH]1 ZINC001127966695 1127757606 /nfs/dbraw/zinc/75/76/06/1127757606.db2.gz PBAUFRUZXGJIBD-CHWSQXEVSA-N -1 1 335.448 3.694 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c1 ZINC000031669253 1127838822 /nfs/dbraw/zinc/83/88/22/1127838822.db2.gz RABCLGGPQVBRKL-UHFFFAOYSA-N -1 1 346.452 3.699 20 0 EHADMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)COC2 ZINC000068074844 1128258359 /nfs/dbraw/zinc/25/83/59/1128258359.db2.gz BERVXMYVZHEZPW-UHFFFAOYSA-N -1 1 325.389 3.671 20 0 EHADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000068452346 1128267603 /nfs/dbraw/zinc/26/76/03/1128267603.db2.gz IWNPWSZUGDXYLW-UHFFFAOYSA-N -1 1 344.484 3.597 20 0 EHADMM CC(C)n1c(CNC(=O)C=Cc2cccc(Cl)c2)n[n-]c1=S ZINC000067071714 1128233727 /nfs/dbraw/zinc/23/37/27/1128233727.db2.gz CFTRJXRTQSGQBV-VOTSOKGWSA-N -1 1 336.848 3.505 20 0 EHADMM CCSc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000073133815 1128317180 /nfs/dbraw/zinc/31/71/80/1128317180.db2.gz BGZCCRSSWCMLNB-UHFFFAOYSA-N -1 1 330.409 3.715 20 0 EHADMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001212390044 1128395829 /nfs/dbraw/zinc/39/58/29/1128395829.db2.gz GJJDKLVCENNFKH-WCBMZHEXSA-N -1 1 347.914 3.727 20 0 EHADMM [O-]c1c(Cl)cc(Cl)cc1CNCc1cn(-c2ccccc2)nn1 ZINC000088745465 1128397494 /nfs/dbraw/zinc/39/74/94/1128397494.db2.gz LHJBREMCPINRIY-UHFFFAOYSA-N -1 1 349.221 3.570 20 0 EHADMM CC(C)Sc1ccccc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC000057881133 1128455151 /nfs/dbraw/zinc/45/51/51/1128455151.db2.gz IZXRNLQHPOOTKT-UHFFFAOYSA-N -1 1 346.404 3.638 20 0 EHADMM O=S(=O)([N-]CCCc1cccc(Cl)c1)c1ccc(C(F)F)o1 ZINC000631835683 1128468681 /nfs/dbraw/zinc/46/86/81/1128468681.db2.gz XBWJFVRVQWFDRG-UHFFFAOYSA-N -1 1 349.786 3.782 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cccc4c(Cl)ccnc34)no2)n[n-]1 ZINC001212430089 1128591829 /nfs/dbraw/zinc/59/18/29/1128591829.db2.gz ZKKOCSMXVHPOER-UHFFFAOYSA-N -1 1 339.742 3.531 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cccc4c(Cl)ccnc34)no2)[n-]n1 ZINC001212430089 1128591831 /nfs/dbraw/zinc/59/18/31/1128591831.db2.gz ZKKOCSMXVHPOER-UHFFFAOYSA-N -1 1 339.742 3.531 20 0 EHADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCS1 ZINC000921714535 1128661417 /nfs/dbraw/zinc/66/14/17/1128661417.db2.gz BGBGMXBKOPXEHD-RQJHMYQMSA-N -1 1 346.326 3.617 20 0 EHADMM CCc1ocnc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000265750673 1128766863 /nfs/dbraw/zinc/76/68/63/1128766863.db2.gz HLLOVPLBBQADGD-UHFFFAOYSA-N -1 1 342.424 3.667 20 0 EHADMM Cc1cccnc1/C=C/C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116902177 1128785047 /nfs/dbraw/zinc/78/50/47/1128785047.db2.gz IATAGBAZDUCDNS-VOTSOKGWSA-N -1 1 333.185 3.510 20 0 EHADMM Fc1cc([N-]c2nnc(-c3ccco3)o2)cc(F)c1OC(F)F ZINC001212444029 1128815041 /nfs/dbraw/zinc/81/50/41/1128815041.db2.gz ZAKQDWPFGZVPPW-UHFFFAOYSA-N -1 1 329.209 3.953 20 0 EHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1 ZINC000007050483 1128845657 /nfs/dbraw/zinc/84/56/57/1128845657.db2.gz DQTMISQHGPVXGJ-GFCCVEGCSA-N -1 1 329.425 3.877 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1OCC ZINC000007050901 1128846127 /nfs/dbraw/zinc/84/61/27/1128846127.db2.gz XTUTVGAJTDALKZ-UHFFFAOYSA-N -1 1 349.452 3.902 20 0 EHADMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(F)c1[O-] ZINC001648848051 1120053878 /nfs/dbraw/zinc/05/38/78/1120053878.db2.gz XUXINVBPTGCVGN-UHFFFAOYSA-N -1 1 339.370 3.515 20 0 EHADMM O=S(=O)([N-]C1CCC(C2CCC2)CC1)c1ccc(Cl)nc1F ZINC001670491783 1120078920 /nfs/dbraw/zinc/07/89/20/1120078920.db2.gz BMNAZZVOUJFWSP-UHFFFAOYSA-N -1 1 346.855 3.511 20 0 EHADMM O=S(=O)([N-]CC1CCC2(CC2)CC1)c1cc2cc(F)ccc2o1 ZINC001670705007 1120104508 /nfs/dbraw/zinc/10/45/08/1120104508.db2.gz BEHJHDYXSGIMMW-UHFFFAOYSA-N -1 1 337.416 3.821 20 0 EHADMM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1ccc([O-])c(F)c1 ZINC000672271758 1128892931 /nfs/dbraw/zinc/89/29/31/1128892931.db2.gz PJTGZNYWBHCKMG-UHFFFAOYSA-N -1 1 329.705 3.707 20 0 EHADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(C)c3F)c2C)o1 ZINC000180520328 1120311522 /nfs/dbraw/zinc/31/15/22/1120311522.db2.gz YSNMPQPJEVNJFL-UHFFFAOYSA-N -1 1 349.387 3.535 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C(C)(C)C1 ZINC000494466655 1120565041 /nfs/dbraw/zinc/56/50/41/1120565041.db2.gz BRGVNLDBAMEULC-LBPRGKRZSA-N -1 1 348.443 4.000 20 0 EHADMM COC(=O)c1ccccc1-c1ccc(C[N-]c2nnc(C(F)F)o2)o1 ZINC000189301689 1120576141 /nfs/dbraw/zinc/57/61/41/1120576141.db2.gz DBONPJPHEMTRHH-UHFFFAOYSA-N -1 1 349.293 3.666 20 0 EHADMM CCc1cc2c(CN(C)OCc3ccccc3)cc(=O)oc2cc1[O-] ZINC000761702229 1120828526 /nfs/dbraw/zinc/82/85/26/1120828526.db2.gz JKDVFEDYSFDXQW-UHFFFAOYSA-N -1 1 339.391 3.625 20 0 EHADMM C[C@@H]1C[C@H]1c1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000495357225 1121111219 /nfs/dbraw/zinc/11/12/19/1121111219.db2.gz JTXORBYOBKAYGR-BXKDBHETSA-N -1 1 331.372 3.913 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](c2ccccn2)C(C)C)cc(Cl)c1[O-] ZINC000762604402 1121380685 /nfs/dbraw/zinc/38/06/85/1121380685.db2.gz GCIPAFIDBHYNFL-MRXNPFEDSA-N -1 1 348.830 3.966 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)[C@@]12C[C@@H]1CCCC2 ZINC001670874418 1121743926 /nfs/dbraw/zinc/74/39/26/1121743926.db2.gz VXMYOKGEQIJGAP-PKFCDNJMSA-N -1 1 349.283 3.636 20 0 EHADMM CN(Cc1cccs1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000915878415 1121907255 /nfs/dbraw/zinc/90/72/55/1121907255.db2.gz WAKUGOZKGDNCFP-UHFFFAOYSA-N -1 1 335.812 3.846 20 0 EHADMM C[C@H]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000496946530 1122217361 /nfs/dbraw/zinc/21/73/61/1122217361.db2.gz SALVCTRBLITBPE-JSGCOSHPSA-N -1 1 348.443 4.000 20 0 EHADMM O=C(c1ccccc1[O-])N1CCCc2cc(Br)ccc21 ZINC000125667024 1122324864 /nfs/dbraw/zinc/32/48/64/1122324864.db2.gz LBBCIPKKAGGIRY-UHFFFAOYSA-N -1 1 332.197 3.748 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2nccn2Cc2ccccc2)n1 ZINC000497317819 1122448887 /nfs/dbraw/zinc/44/88/87/1122448887.db2.gz AMOBVJWEURTDPQ-UHFFFAOYSA-N -1 1 340.452 3.672 20 0 EHADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2)n1 ZINC000077707529 1129058359 /nfs/dbraw/zinc/05/83/59/1129058359.db2.gz CGLAMXBPPXQNNI-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000497845711 1122681831 /nfs/dbraw/zinc/68/18/31/1122681831.db2.gz BRZUIDSEXDHDFQ-UHFFFAOYSA-N -1 1 339.848 3.830 20 0 EHADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000917999580 1122729279 /nfs/dbraw/zinc/72/92/79/1122729279.db2.gz VHLJCPOWYCLNGF-ZDUSSCGKSA-N -1 1 349.434 3.712 20 0 EHADMM COc1cc(-c2noc(-c3ncccc3[O-])n2)cc(C(F)(F)F)c1 ZINC001212480947 1129083684 /nfs/dbraw/zinc/08/36/84/1129083684.db2.gz QWKYFVIRPFLIFY-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM Cc1n[n-]c(=NCc2ccc(OCc3ccc(C)cc3)cc2)n1C1CC1 ZINC000556337444 1122934099 /nfs/dbraw/zinc/93/40/99/1122934099.db2.gz OZTQIAUICDOUSA-UHFFFAOYSA-N -1 1 348.450 3.843 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(Cl)ccc1F ZINC000556352235 1122942890 /nfs/dbraw/zinc/94/28/90/1122942890.db2.gz PHERNVNAHRSGQH-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000072516544 1123108307 /nfs/dbraw/zinc/10/83/07/1123108307.db2.gz VQBNLDWQVZTHIO-UHFFFAOYSA-N -1 1 341.741 3.919 20 0 EHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000072543032 1123115223 /nfs/dbraw/zinc/11/52/23/1123115223.db2.gz ZDWNFMRHMMQJQU-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000072850974 1123168216 /nfs/dbraw/zinc/16/82/16/1123168216.db2.gz XSLPGWUYCHOPEB-UHFFFAOYSA-N -1 1 341.798 3.504 20 0 EHADMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1cccs1 ZINC000213347393 1123247131 /nfs/dbraw/zinc/24/71/31/1123247131.db2.gz KURORLMMUUUSID-RIYZIHGNSA-N -1 1 347.417 3.660 20 0 EHADMM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1c([O-])cccc1Cl ZINC000920445793 1123369595 /nfs/dbraw/zinc/36/95/95/1123369595.db2.gz YZZQBSOZTDMENF-OAHLLOKOSA-N -1 1 331.799 3.862 20 0 EHADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075504446 1123399078 /nfs/dbraw/zinc/39/90/78/1123399078.db2.gz TVGDQICOKUFZLH-MRXNPFEDSA-N -1 1 349.434 3.737 20 0 EHADMM CN1CCCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000920756814 1123420755 /nfs/dbraw/zinc/42/07/55/1123420755.db2.gz CESXYCPQHOPTMQ-UHFFFAOYSA-N -1 1 336.844 3.523 20 0 EHADMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1c([O-])cccc1F ZINC000133957704 1123474586 /nfs/dbraw/zinc/47/45/86/1123474586.db2.gz XYNYNBKBLMZPRE-JTQLQIEISA-N -1 1 330.384 3.502 20 0 EHADMM COc1cc(C(=O)Nc2cc(NC(C)=O)ccc2C)cc(Cl)c1[O-] ZINC000134944470 1123567958 /nfs/dbraw/zinc/56/79/58/1123567958.db2.gz CRUQMZDKSZIYEX-UHFFFAOYSA-N -1 1 348.786 3.573 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1F ZINC000078239144 1123609109 /nfs/dbraw/zinc/60/91/09/1123609109.db2.gz ISLNZBQPPGMBFJ-UHFFFAOYSA-N -1 1 345.342 3.530 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2nc([C@H](C)SCC)no2)n1 ZINC000136191082 1123675759 /nfs/dbraw/zinc/67/57/59/1123675759.db2.gz KMKRQLSSKVCQLQ-VIFPVBQESA-N -1 1 340.474 3.624 20 0 EHADMM Cc1csc(CCCC(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)n1 ZINC000616811732 1124036862 /nfs/dbraw/zinc/03/68/62/1124036862.db2.gz VMRLFUIDWBZJIN-UHFFFAOYSA-N -1 1 346.481 3.595 20 0 EHADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Br)c([O-])c1 ZINC000246306635 1124080827 /nfs/dbraw/zinc/08/08/27/1124080827.db2.gz QHAUGXYZZXVODY-JTNHKYCSSA-N -1 1 338.245 3.948 20 0 EHADMM CCc1ccc([C@@H]2CN(Cc3ccc(C(=O)[O-])cc3)CCO2)cc1 ZINC000263578901 1124680863 /nfs/dbraw/zinc/68/08/63/1124680863.db2.gz TYGCPYUCGLJQSH-IBGZPJMESA-N -1 1 325.408 3.521 20 0 EHADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)oc1C ZINC000618475239 1125090101 /nfs/dbraw/zinc/09/01/01/1125090101.db2.gz AWOHLZYORXPLMA-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc2ccccc2c1[O-] ZINC000625032303 1129711453 /nfs/dbraw/zinc/71/14/53/1129711453.db2.gz FQCSRSKTAQJNRZ-KRWDZBQOSA-N -1 1 349.386 3.808 20 0 EHADMM O=S(=O)([N-][C@@H](CCc1ccccc1)C(F)F)C1CCCCC1 ZINC000625422952 1129870187 /nfs/dbraw/zinc/87/01/87/1129870187.db2.gz KLQGNPSRWCWKRE-HNNXBMFYSA-N -1 1 331.428 3.505 20 0 EHADMM O=C(CCc1ccc(Br)cc1)Nc1c([O-])cccc1F ZINC000674015707 1129963844 /nfs/dbraw/zinc/96/38/44/1129963844.db2.gz RQHPHNRYVBEKEP-UHFFFAOYSA-N -1 1 338.176 3.865 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2cnc(-c3ccccn3)s2)s1 ZINC000171415475 1130055496 /nfs/dbraw/zinc/05/54/96/1130055496.db2.gz ROCKYZKEYUNBNO-UHFFFAOYSA-N -1 1 345.453 3.606 20 0 EHADMM C[C@H]1C[C@@H](c2ccccc2)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000285501600 1130624608 /nfs/dbraw/zinc/62/46/08/1130624608.db2.gz CWDHDHHIIABOGF-WFASDCNBSA-N -1 1 325.437 3.980 20 0 EHADMM CCc1cc2c(COC(=O)CC3=CCCCC3)cc(=O)oc2cc1[O-] ZINC000730334918 1130698128 /nfs/dbraw/zinc/69/81/28/1130698128.db2.gz GQWYJFMXWAHHKR-UHFFFAOYSA-N -1 1 342.391 3.995 20 0 EHADMM CCCCCC[C@@H](C)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000733982698 1131178833 /nfs/dbraw/zinc/17/88/33/1131178833.db2.gz HWNDIJLIDUOTAT-CYBMUJFWSA-N -1 1 346.475 3.665 20 0 EHADMM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000742306321 1131704497 /nfs/dbraw/zinc/70/44/97/1131704497.db2.gz CDSZDNOBLVAKFT-UHFFFAOYSA-N -1 1 325.261 3.636 20 0 EHADMM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000742329473 1131706626 /nfs/dbraw/zinc/70/66/26/1131706626.db2.gz PHHMGUPSISRRNM-NKWVEPMBSA-N -1 1 346.326 3.617 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](COCc2ccccc2)C1 ZINC000743719355 1131969715 /nfs/dbraw/zinc/96/97/15/1131969715.db2.gz ZCGRTGHUMHMVGK-OAHLLOKOSA-N -1 1 345.826 3.725 20 0 EHADMM CO[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1cccc(Cl)c1 ZINC000743757787 1131972770 /nfs/dbraw/zinc/97/27/70/1131972770.db2.gz WHEOSHCCNWENHO-AWEZNQCLSA-N -1 1 340.206 3.817 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc3ncsc3c2)c1 ZINC000744451624 1132103137 /nfs/dbraw/zinc/10/31/37/1132103137.db2.gz VSOLCRIWQRPPGJ-UHFFFAOYSA-N -1 1 341.388 3.604 20 0 EHADMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1nc(-c2ccccc2)no1 ZINC000744881760 1132164278 /nfs/dbraw/zinc/16/42/78/1132164278.db2.gz XPYWNVUVNJRJFK-VIFPVBQESA-N -1 1 346.289 3.638 20 0 EHADMM Cn1cc(-c2ccc(Nc3cc4ccc([O-])cc4oc3=O)cc2)cn1 ZINC001174377688 1132341401 /nfs/dbraw/zinc/34/14/01/1132341401.db2.gz CIIFFPZBZKSMGN-UHFFFAOYSA-N -1 1 333.347 3.643 20 0 EHADMM CC(C)Cc1csc2[n-]c([C@@H]3COc4ccccc4O3)nc(=O)c12 ZINC000192954647 1132477889 /nfs/dbraw/zinc/47/78/89/1132477889.db2.gz OHPBSLMBSGGULP-AWEZNQCLSA-N -1 1 342.420 3.696 20 0 EHADMM Cc1ccc2c(COC(=O)c3ccc([O-])cc3F)cc(=O)oc2c1C ZINC000773569267 1132921254 /nfs/dbraw/zinc/92/12/54/1132921254.db2.gz LHYNTXYTEAOOFO-UHFFFAOYSA-N -1 1 342.322 3.612 20 0 EHADMM CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)C(F)(F)F ZINC000767108075 1132945524 /nfs/dbraw/zinc/94/55/24/1132945524.db2.gz UOSLAJOBWVTHSR-BXKDBHETSA-N -1 1 339.304 3.880 20 0 EHADMM CCOC(=O)c1cnc(Cl)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664037 1132978579 /nfs/dbraw/zinc/97/85/79/1132978579.db2.gz JYDOJJLCSHHTEV-UHFFFAOYSA-N -1 1 346.692 3.778 20 0 EHADMM COCCOc1c(F)cccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673485 1132979596 /nfs/dbraw/zinc/97/95/96/1132979596.db2.gz HTGDJYNYPPNPRR-UHFFFAOYSA-N -1 1 331.265 3.717 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccc(N3CCC(O)CC3)cc2)c1F ZINC001176672496 1132980000 /nfs/dbraw/zinc/98/00/00/1132980000.db2.gz YGXMTELHOLTHSD-UHFFFAOYSA-N -1 1 338.329 3.514 20 0 EHADMM COC(=O)c1cc(Cl)cc(Nc2c(F)cc(F)c([O-])c2F)c1O ZINC001176673671 1132980808 /nfs/dbraw/zinc/98/08/08/1132980808.db2.gz VNVRPVGXHJBJIV-UHFFFAOYSA-N -1 1 347.676 3.699 20 0 EHADMM CCOC(=O)Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176674872 1132980816 /nfs/dbraw/zinc/98/08/16/1132980816.db2.gz ZKVHZDHZYDMRNW-UHFFFAOYSA-N -1 1 325.286 3.659 20 0 EHADMM NC(=O)c1c(Nc2c(F)cc(F)c([O-])c2F)sc2c1CCCC2 ZINC001176663139 1132987292 /nfs/dbraw/zinc/98/72/92/1132987292.db2.gz BZNVRKZLNSCKFS-UHFFFAOYSA-N -1 1 342.342 3.592 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(-c2ccccc2)on1 ZINC001176988558 1133018180 /nfs/dbraw/zinc/01/81/80/1133018180.db2.gz ODVIXEUHBWZHQL-UHFFFAOYSA-N -1 1 328.755 3.631 20 0 EHADMM O=C(Cc1cc(Cl)ccn1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001177660831 1133089639 /nfs/dbraw/zinc/08/96/39/1133089639.db2.gz VENRFSITFCNELP-UHFFFAOYSA-N -1 1 330.693 3.641 20 0 EHADMM Cc1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])sn1 ZINC000768192838 1133111527 /nfs/dbraw/zinc/11/15/27/1133111527.db2.gz XAODDAGKZLMIKF-UHFFFAOYSA-N -1 1 349.412 3.756 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000768273647 1133120524 /nfs/dbraw/zinc/12/05/24/1133120524.db2.gz VYYURVSTIUPBNN-PBHICJAKSA-N -1 1 347.386 3.633 20 0 EHADMM CC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc2ccccc21 ZINC001178075269 1133133371 /nfs/dbraw/zinc/13/33/71/1133133371.db2.gz SMRRXGDWNSYMAA-LJQANCHMSA-N -1 1 333.387 3.996 20 0 EHADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000768575715 1133157675 /nfs/dbraw/zinc/15/76/75/1133157675.db2.gz ZTTBLTWANHEOPE-SNVBAGLBSA-N -1 1 335.835 3.797 20 0 EHADMM CC[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1cccc(Cl)c1 ZINC000773771475 1133197859 /nfs/dbraw/zinc/19/78/59/1133197859.db2.gz JESIBMVQFGGXBI-ZDUSSCGKSA-N -1 1 346.843 3.553 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccc2cc(=O)[nH]cc21 ZINC001179659504 1133267724 /nfs/dbraw/zinc/26/77/24/1133267724.db2.gz ABBFYYNJSCOQRC-UHFFFAOYSA-N -1 1 332.718 3.691 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCSC[C@@H]1c1ccccc1 ZINC000769863541 1133351416 /nfs/dbraw/zinc/35/14/16/1133351416.db2.gz MBYFPTBMFHPOMK-CQSZACIVSA-N -1 1 333.840 3.976 20 0 EHADMM [O-]c1ccc(-c2noc(-c3csc(-c4ccccn4)n3)n2)cc1F ZINC000771225863 1133529905 /nfs/dbraw/zinc/52/99/05/1133529905.db2.gz WYRCYUSVZXEOJS-UHFFFAOYSA-N -1 1 340.339 3.767 20 0 EHADMM CSc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000771575307 1133572627 /nfs/dbraw/zinc/57/26/27/1133572627.db2.gz SYUZGQGORUXNNX-UHFFFAOYSA-N -1 1 339.214 3.524 20 0 EHADMM C[C@H]1CCCN(Cc2cccc([O-])c2Cl)[C@H]1C(=O)OC(C)(C)C ZINC001182491071 1133694832 /nfs/dbraw/zinc/69/48/32/1133694832.db2.gz UROHENDFPAXOGC-BLLLJJGKSA-N -1 1 339.863 3.988 20 0 EHADMM COc1cc(C(=O)N[C@H](C)c2ccc(C)s2)cc(Cl)c1[O-] ZINC000785538509 1133718403 /nfs/dbraw/zinc/71/84/03/1133718403.db2.gz JYANYQHUZIDWIA-SECBINFHSA-N -1 1 325.817 3.915 20 0 EHADMM O=C(Cc1ccc2nc[nH]c2c1)Nc1c(Cl)ccc([O-])c1Cl ZINC001182843481 1133735055 /nfs/dbraw/zinc/73/50/55/1133735055.db2.gz GWJOSAKBKDPPGU-UHFFFAOYSA-N -1 1 336.178 3.757 20 0 EHADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183209807 1133782452 /nfs/dbraw/zinc/78/24/52/1133782452.db2.gz NOWOUERHBSAIGN-MRVPVSSYSA-N -1 1 327.167 3.500 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1(c2ccc(O)cc2)CC1 ZINC001183344208 1133796796 /nfs/dbraw/zinc/79/67/96/1133796796.db2.gz IEVCFFVBUCORNN-UHFFFAOYSA-N -1 1 337.297 3.787 20 0 EHADMM O=C(NC[C@H]1CCCC1(F)F)c1c([O-])cnc2ccc(Cl)cc21 ZINC001183487085 1133807969 /nfs/dbraw/zinc/80/79/69/1133807969.db2.gz UKCFNGBAPDUWCJ-SECBINFHSA-N -1 1 340.757 3.759 20 0 EHADMM O=C(N[C@@H]1C=CCC1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC001183942583 1133874795 /nfs/dbraw/zinc/87/47/95/1133874795.db2.gz GNQOAFOQMWZMMU-CQSZACIVSA-N -1 1 346.386 3.769 20 0 EHADMM Cc1c(Cl)cccc1NC(=O)Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001184685430 1133981940 /nfs/dbraw/zinc/98/19/40/1133981940.db2.gz GOELKCLGFUXOIF-UHFFFAOYSA-N -1 1 347.802 3.700 20 0 EHADMM Cc1ccc(F)c(NC(=O)Nc2nc(Br)ccc2[O-])c1 ZINC001185220419 1134051957 /nfs/dbraw/zinc/05/19/57/1134051957.db2.gz ATHOWKPAHCGBCS-UHFFFAOYSA-N -1 1 340.152 3.641 20 0 EHADMM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185234208 1134052723 /nfs/dbraw/zinc/05/27/23/1134052723.db2.gz XAAPVZZLSRTVJZ-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)N=NC2)c1ccc(-c2cnco2)cc1 ZINC001185232973 1134054348 /nfs/dbraw/zinc/05/43/48/1134054348.db2.gz LKDMXFOGBPYZKN-UHFFFAOYSA-N -1 1 340.364 3.740 20 0 EHADMM O=S(=O)([N-]c1nc(C(F)(F)F)ccc1Cl)c1ccsc1 ZINC001185351225 1134070439 /nfs/dbraw/zinc/07/04/39/1134070439.db2.gz MSIDDQPVOHIHGE-UHFFFAOYSA-N -1 1 342.751 3.616 20 0 EHADMM CCCN1CCCc2ccc([N-]S(=O)(=O)c3ccsc3)cc21 ZINC001185392241 1134078129 /nfs/dbraw/zinc/07/81/29/1134078129.db2.gz ZHHBHVZGTUGYGX-UHFFFAOYSA-N -1 1 336.482 3.712 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2ccnc2)ccc1Cl ZINC001185485715 1134097116 /nfs/dbraw/zinc/09/71/16/1134097116.db2.gz ZLHZYWAADAFXSE-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)ccc1C(C)C ZINC001185990913 1134153614 /nfs/dbraw/zinc/15/36/14/1134153614.db2.gz VEOMLFMYWFGDGG-UHFFFAOYSA-N -1 1 329.425 3.796 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001186326344 1134195078 /nfs/dbraw/zinc/19/50/78/1134195078.db2.gz AMYFAJPFFXECPN-HNNXBMFYSA-N -1 1 335.325 3.796 20 0 EHADMM O=C(NCc1ccccc1N1CCCCCC1)c1ccc([O-])cc1F ZINC001186337134 1134203816 /nfs/dbraw/zinc/20/38/16/1134203816.db2.gz AAZRERWNLGKOCT-UHFFFAOYSA-N -1 1 342.414 3.842 20 0 EHADMM COc1ccc(CNC(=O)c2ccc([O-])cc2F)c2ccccc12 ZINC001186340194 1134204626 /nfs/dbraw/zinc/20/46/26/1134204626.db2.gz YJHCENIIPMQUCD-UHFFFAOYSA-N -1 1 325.339 3.623 20 0 EHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)NCC1CCCCC1 ZINC001186897692 1134268424 /nfs/dbraw/zinc/26/84/24/1134268424.db2.gz HIONHTWDVMINQJ-UHFFFAOYSA-N -1 1 328.416 3.588 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(F)c1 ZINC001187173588 1134310448 /nfs/dbraw/zinc/31/04/48/1134310448.db2.gz GTGJWHFXXJNYMH-UHFFFAOYSA-N -1 1 325.430 3.875 20 0 EHADMM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC001187428155 1134334402 /nfs/dbraw/zinc/33/44/02/1134334402.db2.gz KCZFYVBUTYHKTD-UHFFFAOYSA-N -1 1 339.438 3.500 20 0 EHADMM COc1c(CNC(=O)c2c([O-])cccc2Cl)oc2ccccc21 ZINC000789859947 1134341642 /nfs/dbraw/zinc/34/16/42/1134341642.db2.gz BVBYETMUNWSLSM-UHFFFAOYSA-N -1 1 331.755 3.730 20 0 EHADMM COc1ccc(S[C@H](C)C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000789930489 1134344904 /nfs/dbraw/zinc/34/49/04/1134344904.db2.gz RUTMIGWMHWDORE-SECBINFHSA-N -1 1 338.816 3.569 20 0 EHADMM CCOc1cccc2[nH]cc(CC(=O)Nc3nc(Cl)ccc3[O-])c21 ZINC000790051220 1134365871 /nfs/dbraw/zinc/36/58/71/1134365871.db2.gz OAWZDIVNIFWMOD-UHFFFAOYSA-N -1 1 345.786 3.502 20 0 EHADMM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC001187876674 1134398385 /nfs/dbraw/zinc/39/83/85/1134398385.db2.gz XUHAGITYKWUSLI-GHMZBOCLSA-N -1 1 339.935 3.744 20 0 EHADMM CC(C)[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@@H](O)c1ccccc1 ZINC000790402488 1134416748 /nfs/dbraw/zinc/41/67/48/1134416748.db2.gz PKTXHCADUDPTAY-SJORKVTESA-N -1 1 333.815 3.534 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccnn1-c1ccccc1 ZINC001188439932 1134463905 /nfs/dbraw/zinc/46/39/05/1134463905.db2.gz KWHNMRUCAVPNDR-UHFFFAOYSA-N -1 1 347.296 3.849 20 0 EHADMM Cc1c(C)c(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)ccc1O ZINC001188586987 1134484899 /nfs/dbraw/zinc/48/48/99/1134484899.db2.gz QBPKYLBLRYIQMY-UHFFFAOYSA-N -1 1 325.286 3.986 20 0 EHADMM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1c([O-])cc(F)cc1F ZINC000746968525 1134503597 /nfs/dbraw/zinc/50/35/97/1134503597.db2.gz DZFDCCSQSOTCQT-UHFFFAOYSA-N -1 1 349.264 3.822 20 0 EHADMM Cc1c(F)cccc1NC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001189024595 1134529665 /nfs/dbraw/zinc/52/96/65/1134529665.db2.gz WXCVUKSMLCWTGG-UHFFFAOYSA-N -1 1 326.331 3.669 20 0 EHADMM CCCCCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC001189183448 1134549446 /nfs/dbraw/zinc/54/94/46/1134549446.db2.gz HHEZJZJDJQQZLZ-UHFFFAOYSA-N -1 1 326.322 3.809 20 0 EHADMM Cc1cccc2ccc([N-]S(=O)(=O)Cc3cccc(F)c3F)nc12 ZINC001189420088 1134585532 /nfs/dbraw/zinc/58/55/32/1134585532.db2.gz OIQLWRJYCJFWAO-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cc(F)cc(F)c1F ZINC001190387825 1134689417 /nfs/dbraw/zinc/68/94/17/1134689417.db2.gz LDBFYGMUSGDFOF-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1Cl ZINC001190404853 1134692414 /nfs/dbraw/zinc/69/24/14/1134692414.db2.gz MPBXRBQNWMNEPA-QMMMGPOBSA-N -1 1 349.761 3.797 20 0 EHADMM CC(F)(F)c1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001190503900 1134707727 /nfs/dbraw/zinc/70/77/27/1134707727.db2.gz NDOGDOJTFSQSEH-UHFFFAOYSA-N -1 1 343.333 3.942 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)c(Cl)c(Cl)c1)c1ccncc1 ZINC001190896801 1134764514 /nfs/dbraw/zinc/76/45/14/1134764514.db2.gz SHCWKEOKSGMDLI-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM COc1cc(C(=O)NCc2sccc2Cl)cc(Cl)c1[O-] ZINC001191158277 1134804560 /nfs/dbraw/zinc/80/45/60/1134804560.db2.gz OVTZYQCBSHJNOO-UHFFFAOYSA-N -1 1 332.208 3.699 20 0 EHADMM C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1)c1ccncc1 ZINC001191488166 1134872638 /nfs/dbraw/zinc/87/26/38/1134872638.db2.gz KOAPBHSVFDOKSI-CQSZACIVSA-N -1 1 346.386 3.509 20 0 EHADMM CC(C)N(CC1CC1)C(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191496598 1134873536 /nfs/dbraw/zinc/87/35/36/1134873536.db2.gz JTTHDAXKBFCOKY-UHFFFAOYSA-N -1 1 337.419 3.884 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(C)cc1F ZINC001191827616 1134932419 /nfs/dbraw/zinc/93/24/19/1134932419.db2.gz CFCYINBVYIWULN-UHFFFAOYSA-N -1 1 341.379 3.781 20 0 EHADMM COC(=O)c1ccc(C(F)(F)F)c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576465 1134985826 /nfs/dbraw/zinc/98/58/26/1134985826.db2.gz OUKGNJWSWCVBDI-UHFFFAOYSA-N -1 1 331.677 3.913 20 0 EHADMM CCc1cc2c(cc1CC)CC(NC(=O)c1c(F)ccc([O-])c1F)C2 ZINC001192556357 1135029674 /nfs/dbraw/zinc/02/96/74/1135029674.db2.gz TVNAEMRIJQODGG-UHFFFAOYSA-N -1 1 345.389 3.692 20 0 EHADMM O=C(Nc1ccncc1Oc1ccccc1)c1cc([O-])cc(F)c1F ZINC001192651711 1135039480 /nfs/dbraw/zinc/03/94/80/1135039480.db2.gz KOMDCRZOKLUXOD-UHFFFAOYSA-N -1 1 342.301 3.532 20 0 EHADMM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c1 ZINC001192741286 1135049358 /nfs/dbraw/zinc/04/93/58/1135049358.db2.gz HLTGKZXSYDDIRU-INIZCTEOSA-N -1 1 345.455 3.937 20 0 EHADMM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000804490491 1135098087 /nfs/dbraw/zinc/09/80/87/1135098087.db2.gz RBDONVMJBOFRRK-LIRRHRJNSA-N -1 1 335.403 3.706 20 0 EHADMM CCSCc1ccccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129758350 1135151882 /nfs/dbraw/zinc/15/18/82/1135151882.db2.gz AMDZCYOFGXODGE-UHFFFAOYSA-N -1 1 343.452 3.566 20 0 EHADMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1nccn1-c1ccccc1 ZINC000805429238 1135270107 /nfs/dbraw/zinc/27/01/07/1135270107.db2.gz AREAFJQRLGKYJZ-LLVKDONJSA-N -1 1 344.317 3.774 20 0 EHADMM CCCCCC(C)(C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586336 1135288635 /nfs/dbraw/zinc/28/86/35/1135288635.db2.gz GYHRKWUYUWLWKW-UHFFFAOYSA-N -1 1 338.395 3.738 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1nc2ccccc2nc1Cl ZINC001194605737 1135292764 /nfs/dbraw/zinc/29/27/64/1135292764.db2.gz TXIQCWYELHOICR-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1-c1cnco1 ZINC001194640032 1135295390 /nfs/dbraw/zinc/29/53/90/1135295390.db2.gz ZZAFJCVNZNASTL-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCC3)c1 ZINC001195155971 1135383146 /nfs/dbraw/zinc/38/31/46/1135383146.db2.gz CVIREWWRRMBVOR-UHFFFAOYSA-N -1 1 344.480 3.993 20 0 EHADMM CSc1nc(NC(=O)Oc2ccccc2C(F)(F)F)cc(=O)[n-]1 ZINC001195174897 1135386937 /nfs/dbraw/zinc/38/69/37/1135386937.db2.gz SFSCVQJRJXNQBK-UHFFFAOYSA-N -1 1 345.302 3.534 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(OCc2ccccc2)cc1 ZINC001195449340 1135424745 /nfs/dbraw/zinc/42/47/45/1135424745.db2.gz RFJVKZSAPOBQJA-UHFFFAOYSA-N -1 1 330.409 3.709 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(C(F)(F)F)nc2ccccc12 ZINC001195457878 1135426546 /nfs/dbraw/zinc/42/65/46/1135426546.db2.gz GTMYQQXDYPFSJH-UHFFFAOYSA-N -1 1 343.330 3.697 20 0 EHADMM O=S(=O)([N-][C@H]1CCCc2ccccc2C1)c1sccc1Cl ZINC001195594346 1135439958 /nfs/dbraw/zinc/43/99/58/1135439958.db2.gz WUFWYPHASXRLQA-ZDUSSCGKSA-N -1 1 341.885 3.627 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C(C)C)cc1 ZINC000747355634 1135496336 /nfs/dbraw/zinc/49/63/36/1135496336.db2.gz UFBSGJZUDMOTOH-UHFFFAOYSA-N -1 1 327.428 3.667 20 0 EHADMM CC[C@H](C)n1nc([N-]c2nc(Cl)c(C(=O)OC)s2)cc1C ZINC000775701448 1135533151 /nfs/dbraw/zinc/53/31/51/1135533151.db2.gz WMYZQVGBDBXJLX-ZETCQYMHSA-N -1 1 328.825 3.803 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CCc1ccc(Cl)cc1 ZINC000747393853 1135538765 /nfs/dbraw/zinc/53/87/65/1135538765.db2.gz UHUHNUTWKOUMQO-UHFFFAOYSA-N -1 1 347.846 3.582 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3CCC3)nc2)c(C)c1 ZINC001196859496 1135624415 /nfs/dbraw/zinc/62/44/15/1135624415.db2.gz ZWZTZTXUOREFAH-UHFFFAOYSA-N -1 1 346.452 3.775 20 0 EHADMM COc1cccc(CS(=O)(=O)[N-]c2cc3c(s2)CCCC3)c1 ZINC001197355285 1135677158 /nfs/dbraw/zinc/67/71/58/1135677158.db2.gz UUUNYYZFZOSLGW-UHFFFAOYSA-N -1 1 337.466 3.577 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1F)[N-]c1cccnc1C(F)(F)F ZINC000808583665 1135697313 /nfs/dbraw/zinc/69/73/13/1135697313.db2.gz BMDCRVFRLNOPDP-CLFYSBASSA-N -1 1 346.305 3.652 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)n1 ZINC001197496884 1135700642 /nfs/dbraw/zinc/70/06/42/1135700642.db2.gz YVOBHFAPIPPQLP-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(F)c1 ZINC001197607544 1135714757 /nfs/dbraw/zinc/71/47/57/1135714757.db2.gz HUWNOGMPQCWSNB-UHFFFAOYSA-N -1 1 347.383 3.768 20 0 EHADMM CCCc1ccnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197650443 1135715927 /nfs/dbraw/zinc/71/59/27/1135715927.db2.gz KXXRKEWQEHKPCO-UHFFFAOYSA-N -1 1 342.823 3.769 20 0 EHADMM O=C(Nc1cccc(C2OCCO2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000808858478 1135747892 /nfs/dbraw/zinc/74/78/92/1135747892.db2.gz GSSOVQQIATUCQZ-UHFFFAOYSA-N -1 1 334.759 3.735 20 0 EHADMM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2ccc3nccnc3c2)c1 ZINC001198155488 1135779597 /nfs/dbraw/zinc/77/95/97/1135779597.db2.gz MREZFVGBHZQWJB-UHFFFAOYSA-N -1 1 349.415 3.892 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])c1c(F)cccc1Cl ZINC000121508407 1135792710 /nfs/dbraw/zinc/79/27/10/1135792710.db2.gz GQXKXMYAUBXZAV-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCCC3)cc2)cn1 ZINC001198313957 1135799417 /nfs/dbraw/zinc/79/94/17/1135799417.db2.gz ISZIKQBHJLTXFR-UHFFFAOYSA-N -1 1 346.452 3.760 20 0 EHADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc2occc2c1 ZINC001198863151 1135862663 /nfs/dbraw/zinc/86/26/63/1135862663.db2.gz VWIWUSFATSPTPB-UHFFFAOYSA-N -1 1 330.390 3.843 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1F ZINC001198870775 1135864399 /nfs/dbraw/zinc/86/43/99/1135864399.db2.gz UBYSXGVBQQOIOZ-UHFFFAOYSA-N -1 1 335.356 3.771 20 0 EHADMM COC(=O)c1ccccc1NC(=S)Nc1cccc([O-])c1Cl ZINC001198980116 1135871124 /nfs/dbraw/zinc/87/11/24/1135871124.db2.gz HXQWSEJUAMSWMA-UHFFFAOYSA-N -1 1 336.800 3.641 20 0 EHADMM CCCCCC[C@H](C)NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809987036 1135908925 /nfs/dbraw/zinc/90/89/25/1135908925.db2.gz TWUXKYPBSUFWEU-JTQLQIEISA-N -1 1 347.431 3.687 20 0 EHADMM CCc1ccccc1NC(=S)Nc1cc(C(=O)OC)ccc1[O-] ZINC001201146708 1135988809 /nfs/dbraw/zinc/98/88/09/1135988809.db2.gz MGXAPGGNRVPFPZ-UHFFFAOYSA-N -1 1 330.409 3.550 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(F)nc(F)c2)c(C)c1C ZINC001201792392 1136062718 /nfs/dbraw/zinc/06/27/18/1136062718.db2.gz GRLOURICPGYNJN-UHFFFAOYSA-N -1 1 340.395 3.703 20 0 EHADMM O=C([N-][C@H]1CCc2c1cccc2F)C(F)(F)c1cc(F)cc(F)c1 ZINC001133644553 1136302174 /nfs/dbraw/zinc/30/21/74/1136302174.db2.gz ITXIWDMTJUEMDQ-HNNXBMFYSA-N -1 1 341.279 3.999 20 0 EHADMM CCc1cc2c(COC(=O)c3cc(C)oc3C)cc(=O)oc2cc1[O-] ZINC000007746760 1136339918 /nfs/dbraw/zinc/33/99/18/1136339918.db2.gz SALAWAOMTRTEAV-UHFFFAOYSA-N -1 1 342.347 3.628 20 0 EHADMM Cc1ccc(/C=C/S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1 ZINC000814285876 1136434125 /nfs/dbraw/zinc/43/41/25/1136434125.db2.gz QXUZLARHLRYMKJ-LPQFERQCSA-N -1 1 337.391 3.892 20 0 EHADMM COC(=O)N(C)Cc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000815125388 1136554172 /nfs/dbraw/zinc/55/41/72/1136554172.db2.gz YONTZQQHMRSIFY-UHFFFAOYSA-N -1 1 334.803 3.856 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854432550 1136616143 /nfs/dbraw/zinc/61/61/43/1136616143.db2.gz PTEBGQGHKZUUTM-JIGDXULJSA-N -1 1 330.609 3.793 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCc3ccc(F)cc3)c2)o1 ZINC001135304494 1136655683 /nfs/dbraw/zinc/65/56/83/1136655683.db2.gz JPUNIMCOQXBJED-UHFFFAOYSA-N -1 1 339.322 3.534 20 0 EHADMM COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC001135306731 1136656267 /nfs/dbraw/zinc/65/62/67/1136656267.db2.gz XJDQAUZYAOSGAD-UHFFFAOYSA-N -1 1 327.380 3.520 20 0 EHADMM CSc1ncc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(=O)[n-]1 ZINC001135555056 1136710905 /nfs/dbraw/zinc/71/09/05/1136710905.db2.gz JJUHYZKUYGICBY-UHFFFAOYSA-N -1 1 349.415 3.728 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1nc2ccccc2s1 ZINC001136003250 1136837474 /nfs/dbraw/zinc/83/74/74/1136837474.db2.gz XKKXKVYGNUWLKZ-UHFFFAOYSA-N -1 1 332.812 3.514 20 0 EHADMM CCN(Cc1cccc(Cl)c1)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136184206 1136910008 /nfs/dbraw/zinc/91/00/08/1136910008.db2.gz JRMBDMKWQDJCLH-UHFFFAOYSA-N -1 1 331.799 3.829 20 0 EHADMM Cc1ccc(O[C@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)nc1 ZINC000858063819 1136937024 /nfs/dbraw/zinc/93/70/24/1136937024.db2.gz SDWZXKWMXYRZRT-KRWDZBQOSA-N -1 1 348.402 3.542 20 0 EHADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001136266515 1136959678 /nfs/dbraw/zinc/95/96/78/1136959678.db2.gz UBNMRUYALINQQP-UGSOOPFHSA-N -1 1 343.423 3.576 20 0 EHADMM CC[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1c(C)noc1C ZINC000821340268 1137023851 /nfs/dbraw/zinc/02/38/51/1137023851.db2.gz VONGRGMZJWHKHP-ZDUSSCGKSA-N -1 1 344.308 3.929 20 0 EHADMM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(F)c([O-])c1 ZINC001136607424 1137069205 /nfs/dbraw/zinc/06/92/05/1137069205.db2.gz PFUOXWVHBIOEPM-UHFFFAOYSA-N -1 1 337.354 3.847 20 0 EHADMM CN1CCCc2cc(NC(=O)Cc3ccc([O-])c(Cl)c3)ccc21 ZINC001136743637 1137104659 /nfs/dbraw/zinc/10/46/59/1137104659.db2.gz XUSSZVHRAYQURI-UHFFFAOYSA-N -1 1 330.815 3.609 20 0 EHADMM CCC(F)(F)C(=O)[N-][C@@H](C)c1cc(F)c(Br)cc1F ZINC000862637061 1137152847 /nfs/dbraw/zinc/15/28/47/1137152847.db2.gz JFVMEJLMHCJUIA-LURJTMIESA-N -1 1 342.130 3.950 20 0 EHADMM COC1(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CCCC1 ZINC000825011430 1137160394 /nfs/dbraw/zinc/16/03/94/1137160394.db2.gz JVWJCBYEULDRSU-UHFFFAOYSA-N -1 1 344.377 3.545 20 0 EHADMM COC(=O)C[C@H](C)N(Cc1ccccc1)Cc1c(F)cc([O-])cc1F ZINC001144561274 1137310050 /nfs/dbraw/zinc/31/00/50/1137310050.db2.gz DXOYCDAJKLWGBV-ZDUSSCGKSA-N -1 1 349.377 3.624 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@](C)(O)c1ccccc1 ZINC001144682943 1137329154 /nfs/dbraw/zinc/32/91/54/1137329154.db2.gz LCTMLQIBJIYHDB-SPLOXXLWSA-N -1 1 335.403 3.571 20 0 EHADMM O=c1nc(N2CCC(Cc3ccccc3Cl)CC2)cc(Cl)[n-]1 ZINC000866198548 1137335018 /nfs/dbraw/zinc/33/50/18/1137335018.db2.gz FOFCFBPEACPYGY-UHFFFAOYSA-N -1 1 338.238 3.948 20 0 EHADMM CC(C)([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1ncc[nH]1 ZINC000846246155 1137343306 /nfs/dbraw/zinc/34/33/06/1137343306.db2.gz FUYDVGPLALSDGN-UHFFFAOYSA-N -1 1 348.180 3.860 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000846964970 1137379684 /nfs/dbraw/zinc/37/96/84/1137379684.db2.gz HRDHZCJAHYIDFX-BPLDGKMQSA-N -1 1 337.847 3.591 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1nc2cc(Cl)ccc2[nH]1 ZINC000772962861 1137386542 /nfs/dbraw/zinc/38/65/42/1137386542.db2.gz HWXVNAKXIWUSQV-QMMMGPOBSA-N -1 1 333.750 3.552 20 0 EHADMM O=C(NCc1ccc2occc2c1)c1c([O-])cnc2c(F)cccc21 ZINC001146506843 1137390706 /nfs/dbraw/zinc/39/07/06/1137390706.db2.gz FWZSRBKKLRTFNL-UHFFFAOYSA-N -1 1 336.322 3.756 20 0 EHADMM C[C@]12CCN(C(=O)Cc3ccc([O-])c(Cl)c3)C[C@H]1C2(Cl)Cl ZINC000868140611 1137398590 /nfs/dbraw/zinc/39/85/90/1137398590.db2.gz BYABMKGNWPKGOM-OCCSQVGLSA-N -1 1 348.657 3.630 20 0 EHADMM COCc1csc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC001147571704 1137409373 /nfs/dbraw/zinc/40/93/73/1137409373.db2.gz LIJSAYSBMRWNAV-UHFFFAOYSA-N -1 1 327.405 3.683 20 0 EHADMM Cc1cc2c(cn1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001148805967 1137435262 /nfs/dbraw/zinc/43/52/62/1137435262.db2.gz KGVKMTDMVKRUCA-AWEZNQCLSA-N -1 1 336.313 3.532 20 0 EHADMM CC1(C)C[C@H](NC(=O)c2cccc(-c3ccccc3)c2[O-])CCO1 ZINC001148872988 1137436941 /nfs/dbraw/zinc/43/69/41/1137436941.db2.gz OZWOYCUOMAWCJS-OAHLLOKOSA-N -1 1 325.408 3.747 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCC[C@H]1CC1(Cl)Cl ZINC000869162125 1137439234 /nfs/dbraw/zinc/43/92/34/1137439234.db2.gz FOPRTGZQYISUHC-JTQLQIEISA-N -1 1 336.646 3.678 20 0 EHADMM CCCCc1noc([C@H](C)OC(=O)Cc2ccc([O-])c(Cl)c2)n1 ZINC000869736960 1137464718 /nfs/dbraw/zinc/46/47/18/1137464718.db2.gz WSTDGMVPDBWXSL-JTQLQIEISA-N -1 1 338.791 3.618 20 0 EHADMM O=C(N[C@@H](c1ccc(F)cc1)C1CCCCC1)c1cncc([O-])c1 ZINC001171616978 1137500718 /nfs/dbraw/zinc/50/07/18/1137500718.db2.gz YQEYYTYPEYGTJT-GOSISDBHSA-N -1 1 328.387 3.978 20 0 EHADMM COc1cc(-c2nc3ccc(C)c(C)c3c(=O)[n-]2)cc(OC)c1OC ZINC000871602324 1137548515 /nfs/dbraw/zinc/54/85/15/1137548515.db2.gz XLRLQBCMKBXCJN-UHFFFAOYSA-N -1 1 340.379 3.645 20 0 EHADMM Cc1c(F)ccc(-c2noc(-c3[n-]nnc3C(F)(F)F)n2)c1Cl ZINC001212652746 1137548750 /nfs/dbraw/zinc/54/87/50/1137548750.db2.gz FNPOOCZRMJTGOP-UHFFFAOYSA-N -1 1 347.659 3.641 20 0 EHADMM Cc1c(F)ccc(-c2noc(-c3nn[n-]c3C(F)(F)F)n2)c1Cl ZINC001212652746 1137548751 /nfs/dbraw/zinc/54/87/51/1137548751.db2.gz FNPOOCZRMJTGOP-UHFFFAOYSA-N -1 1 347.659 3.641 20 0 EHADMM Cc1c(F)ccc(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)c1Cl ZINC001212652746 1137548753 /nfs/dbraw/zinc/54/87/53/1137548753.db2.gz FNPOOCZRMJTGOP-UHFFFAOYSA-N -1 1 347.659 3.641 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000872076476 1137570104 /nfs/dbraw/zinc/57/01/04/1137570104.db2.gz LXPGDXHIMBNFLG-CYBMUJFWSA-N -1 1 344.377 3.543 20 0 EHADMM Cc1ccc(CN2CCC(C(=O)c3ccccc3)CC2)cc1C(=O)[O-] ZINC000872157852 1137574165 /nfs/dbraw/zinc/57/41/65/1137574165.db2.gz VCNCENOIDJFLHT-UHFFFAOYSA-N -1 1 337.419 3.788 20 0 EHADMM CC[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1c(C)noc1C ZINC000872952765 1137586962 /nfs/dbraw/zinc/58/69/62/1137586962.db2.gz QTTLCJUEGBBSII-ZDUSSCGKSA-N -1 1 337.807 3.601 20 0 EHADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000874482070 1137615399 /nfs/dbraw/zinc/61/53/99/1137615399.db2.gz RDLIZQLQSZLPOJ-LBPRGKRZSA-N -1 1 341.251 3.826 20 0 EHADMM Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Cl)c2)n1 ZINC000876395334 1137650769 /nfs/dbraw/zinc/65/07/69/1137650769.db2.gz DZOZBOUVCZRAQS-INIZCTEOSA-N -1 1 345.830 3.796 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000883955285 1137882900 /nfs/dbraw/zinc/88/29/00/1137882900.db2.gz APZVHIBSWRQNIA-UHFFFAOYSA-N -1 1 343.471 3.560 20 0 EHADMM CC[C@H](C)[C@@H](C)NC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000109093441 1137891106 /nfs/dbraw/zinc/89/11/06/1137891106.db2.gz PQQRYKYMIWXFJK-WDEREUQCSA-N -1 1 338.502 3.610 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1NC(=O)C(C)(C)C ZINC000110592132 1137902022 /nfs/dbraw/zinc/90/20/22/1137902022.db2.gz LZYPCSYSMULUNO-UHFFFAOYSA-N -1 1 346.452 3.780 20 0 EHADMM CC[C@@H](C)CN(C)C(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000111628980 1137905002 /nfs/dbraw/zinc/90/50/02/1137905002.db2.gz RDYDVMADARMJOB-LLVKDONJSA-N -1 1 338.502 3.564 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000885674002 1138017794 /nfs/dbraw/zinc/01/77/94/1138017794.db2.gz CFTSONCGYJPJQP-ULKQDVFKSA-N -1 1 325.767 3.519 20 0 EHADMM CCCCn1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1CC ZINC000885678493 1138018215 /nfs/dbraw/zinc/01/82/15/1138018215.db2.gz QVHRJPSIUOCNGT-UHFFFAOYSA-N -1 1 339.798 3.996 20 0 EHADMM O=C1CCC[C@@H](c2cccc(NCc3cccc([O-])c3Cl)c2)N1 ZINC000886373503 1138072228 /nfs/dbraw/zinc/07/22/28/1138072228.db2.gz UWUVVCMQPMWTEC-HNNXBMFYSA-N -1 1 330.815 3.999 20 0 EHADMM Cc1ccc(Oc2ccccc2CCNC(=O)c2ccc([O-])cn2)cc1 ZINC001299344663 1138190735 /nfs/dbraw/zinc/19/07/35/1138190735.db2.gz SATVUBMMIMBVQD-UHFFFAOYSA-N -1 1 348.402 3.860 20 0 EHADMM Cc1ccc(C)c([C@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000133911076 1138663248 /nfs/dbraw/zinc/66/32/48/1138663248.db2.gz FVLWMWDWJXUTCV-MRXNPFEDSA-N -1 1 339.464 3.939 20 0 EHADMM Cc1cccc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)n1 ZINC000338393187 1138884480 /nfs/dbraw/zinc/88/44/80/1138884480.db2.gz ZIQIQIYJKRXXRK-UHFFFAOYSA-N -1 1 341.798 3.569 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](c2ccsc2)O1 ZINC000150866957 1138988555 /nfs/dbraw/zinc/98/85/55/1138988555.db2.gz RYCWLKYCLIZKTD-BONVTDFDSA-N -1 1 337.828 3.709 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2csc([C@@H](C)OC)n2)n1 ZINC000177169877 1139601036 /nfs/dbraw/zinc/60/10/36/1139601036.db2.gz IZVDELUCSVFQKW-SECBINFHSA-N -1 1 325.459 3.591 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc(Cl)c1[O-] ZINC000183457012 1140039976 /nfs/dbraw/zinc/03/99/76/1140039976.db2.gz ULUCQNWIJMYLAT-CYBMUJFWSA-N -1 1 341.835 3.520 20 0 EHADMM CCOc1cc(C(=O)NCc2ccccc2COC)cc(Cl)c1[O-] ZINC000186577165 1140211116 /nfs/dbraw/zinc/21/11/16/1140211116.db2.gz FLDQDFBLYICSAS-UHFFFAOYSA-N -1 1 349.814 3.521 20 0 EHADMM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000192813603 1140551604 /nfs/dbraw/zinc/55/16/04/1140551604.db2.gz WEDPASYJFOKCLA-JTQLQIEISA-N -1 1 338.320 3.965 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2c[nH]nc2C(C)C)c1 ZINC000193866261 1140588625 /nfs/dbraw/zinc/58/86/25/1140588625.db2.gz RTLYFPVDOFCKDZ-UHFFFAOYSA-N -1 1 338.205 3.562 20 0 EHADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000267012809 1140751030 /nfs/dbraw/zinc/75/10/30/1140751030.db2.gz NUNBRZFJPIZHHD-OAHLLOKOSA-N -1 1 339.439 3.514 20 0 EHADMM CCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000267196008 1140766801 /nfs/dbraw/zinc/76/68/01/1140766801.db2.gz MQUXSQFWXHYEJW-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM CSc1nc(C)c(CCc2nc([C@H]3CCC[C@H](C)C3)no2)c(=O)[n-]1 ZINC000274002136 1141460881 /nfs/dbraw/zinc/46/08/81/1141460881.db2.gz VBVJLDIFPYHQDI-JQWIXIFHSA-N -1 1 348.472 3.674 20 0 EHADMM Cc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c(C(F)(F)F)o1 ZINC000274393816 1141514700 /nfs/dbraw/zinc/51/47/00/1141514700.db2.gz BRPNLHJOCYGCKI-UHFFFAOYSA-N -1 1 345.224 3.729 20 0 EHADMM Cc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1Cl ZINC000339190032 1141523408 /nfs/dbraw/zinc/52/34/08/1141523408.db2.gz VZWYWEDJAZEQFK-UHFFFAOYSA-N -1 1 327.771 3.996 20 0 EHADMM Cc1cc(Cl)cc(NS(=O)(=O)c2cccc(Cl)c2[O-])c1O ZINC000550111357 450603164 /nfs/dbraw/zinc/60/31/64/450603164.db2.gz MAXNQWZEIUTZMW-UHFFFAOYSA-N -1 1 348.207 3.514 20 0 EHADMM CC(C)Oc1ccccc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000436479967 569966441 /nfs/dbraw/zinc/96/64/41/569966441.db2.gz UGOROTJPJRGXHN-UHFFFAOYSA-N -1 1 341.816 3.634 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(-c3ccncc3)cc2F)cc1 ZINC000426691889 597378126 /nfs/dbraw/zinc/37/81/26/597378126.db2.gz MIAJRUOBDLEZJN-UHFFFAOYSA-N -1 1 336.366 3.876 20 0 EHADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc2nc(C3CC3)oc2c1 ZINC000823767513 607319007 /nfs/dbraw/zinc/31/90/07/607319007.db2.gz SHWHAYCAUFHKHA-UHFFFAOYSA-N -1 1 338.396 3.559 20 0 EHADMM Clc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737573361 598576463 /nfs/dbraw/zinc/57/64/63/598576463.db2.gz KMWVQDXTSNZYCB-GFCCVEGCSA-N -1 1 347.209 3.668 20 0 EHADMM Clc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737573361 598576465 /nfs/dbraw/zinc/57/64/65/598576465.db2.gz KMWVQDXTSNZYCB-GFCCVEGCSA-N -1 1 347.209 3.668 20 0 EHADMM Cc1nc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])nc2ccccc12 ZINC000652457026 599802744 /nfs/dbraw/zinc/80/27/44/599802744.db2.gz YQGGYOAVQKDKIO-OAHLLOKOSA-N -1 1 349.434 3.661 20 0 EHADMM Cc1ccc(C)c(OC2CCN(Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC000652400722 599849001 /nfs/dbraw/zinc/84/90/01/599849001.db2.gz OOAQANFXTLYXAZ-UHFFFAOYSA-N -1 1 329.396 3.638 20 0 EHADMM O=C([O-])[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)c1ccccc1 ZINC000739511248 600379313 /nfs/dbraw/zinc/37/93/13/600379313.db2.gz FYJURBUKMUQXFJ-JNSOCZORSA-N -1 1 337.404 3.893 20 0 EHADMM C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736696468 600422554 /nfs/dbraw/zinc/42/25/54/600422554.db2.gz IXUKBWAZCHZKSA-VIFPVBQESA-N -1 1 344.754 3.833 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000583505708 600440800 /nfs/dbraw/zinc/44/08/00/600440800.db2.gz QEPVVOQWZHFSCC-CQSZACIVSA-N -1 1 345.370 3.520 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC[C@@]3(CC=CCC3)C2)c(C)c1C(=O)[O-] ZINC000738237796 600450009 /nfs/dbraw/zinc/45/00/09/600450009.db2.gz WXYISMGTGPFTIC-QRWLVFNGSA-N -1 1 344.455 3.723 20 0 EHADMM O=C([O-])[C@@H]1CCCCN1Cc1cc(Br)ccc1Cl ZINC000158375438 600539714 /nfs/dbraw/zinc/53/97/14/600539714.db2.gz XMIQQINCMXQRNU-LBPRGKRZSA-N -1 1 332.625 3.542 20 0 EHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(OC(F)F)cc1 ZINC000827718592 600735408 /nfs/dbraw/zinc/73/54/08/600735408.db2.gz WMXAWSKEKMMVDM-BMIGLBTASA-N -1 1 339.313 3.904 20 0 EHADMM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263565660 601338192 /nfs/dbraw/zinc/33/81/92/601338192.db2.gz FRRVKRRZZTUYEP-GOSISDBHSA-N -1 1 335.407 3.609 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(SC)c(OC)c1 ZINC000566357996 601414281 /nfs/dbraw/zinc/41/42/81/601414281.db2.gz BXCCVWCJZFTRRM-UHFFFAOYSA-N -1 1 349.452 3.903 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000571172329 601418108 /nfs/dbraw/zinc/41/81/08/601418108.db2.gz VZLDADTUCZHTQO-CYBMUJFWSA-N -1 1 334.441 3.815 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1F ZINC000566509266 601640221 /nfs/dbraw/zinc/64/02/21/601640221.db2.gz RDPBCWCDPQJEOG-UHFFFAOYSA-N -1 1 347.361 3.706 20 0 EHADMM C[C@@H](CCc1ccccc1)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000824414271 607533585 /nfs/dbraw/zinc/53/35/85/607533585.db2.gz YOEGRAHOEVMZRC-ZDUSSCGKSA-N -1 1 325.441 3.516 20 0 EHADMM C[C@@H](CCc1ccccc1)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000824414271 607533588 /nfs/dbraw/zinc/53/35/88/607533588.db2.gz YOEGRAHOEVMZRC-ZDUSSCGKSA-N -1 1 325.441 3.516 20 0 EHADMM Cc1nc(CN(C[C@@H](C)C(=O)[O-])C2CC2)oc1-c1ccc(Cl)cc1 ZINC000569228815 602283678 /nfs/dbraw/zinc/28/36/78/602283678.db2.gz DWJAUESBJIIOAE-LLVKDONJSA-N -1 1 348.830 3.989 20 0 EHADMM O=C([O-])NCC1(NCc2csc(-c3ccc(F)cc3)n2)CCCC1 ZINC000740613821 602571503 /nfs/dbraw/zinc/57/15/03/602571503.db2.gz WWWMTRIBZIRGAB-UHFFFAOYSA-N -1 1 349.431 3.619 20 0 EHADMM COc1ccc2ccccc2c1CNCc1ccc(NC(=O)[O-])nc1 ZINC000829526942 603535863 /nfs/dbraw/zinc/53/58/63/603535863.db2.gz QLVHWPFJZAFYEQ-UHFFFAOYSA-N -1 1 337.379 3.623 20 0 EHADMM Cc1ccc(-c2nc(CN(C)C3CCC(NC(=O)[O-])CC3)cs2)o1 ZINC000830153936 603793733 /nfs/dbraw/zinc/79/37/33/603793733.db2.gz CMDNFRCJLSGOOM-UHFFFAOYSA-N -1 1 349.456 3.722 20 0 EHADMM Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830936663 604257448 /nfs/dbraw/zinc/25/74/48/604257448.db2.gz OSZQLROQGGXIRB-WCQYABFASA-N -1 1 349.456 3.580 20 0 EHADMM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccccc1CC(=O)[O-] ZINC000833560676 605067152 /nfs/dbraw/zinc/06/71/52/605067152.db2.gz FZIMODUWSUNZTI-IBGZPJMESA-N -1 1 339.435 3.666 20 0 EHADMM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000833751166 605125683 /nfs/dbraw/zinc/12/56/83/605125683.db2.gz PXSBVLGDGOUUHC-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM O=C([O-])Nc1ccc(CN2CC=C(c3c[nH]c4ccccc43)CC2)cn1 ZINC000834258431 605818087 /nfs/dbraw/zinc/81/80/87/605818087.db2.gz HBSNUOMJGCUQPI-UHFFFAOYSA-N -1 1 348.406 3.942 20 0 EHADMM O=C([O-])Nc1cccc(CN2CC(c3nc4ccccc4s3)C2)c1 ZINC000834268224 605890277 /nfs/dbraw/zinc/89/02/77/605890277.db2.gz HCQOKGRDIDSXLB-UHFFFAOYSA-N -1 1 339.420 3.986 20 0 EHADMM Clc1ccc(N[C@H](c2ccccc2)C2CCC2)nc1-c1nnn[n-]1 ZINC000822579118 606465679 /nfs/dbraw/zinc/46/56/79/606465679.db2.gz WBGPHUYGCKJGRR-OAHLLOKOSA-N -1 1 340.818 3.868 20 0 EHADMM Clc1ccc(N[C@H](c2ccccc2)C2CCC2)nc1-c1nn[n-]n1 ZINC000822579118 606465680 /nfs/dbraw/zinc/46/56/80/606465680.db2.gz WBGPHUYGCKJGRR-OAHLLOKOSA-N -1 1 340.818 3.868 20 0 EHADMM COc1ccccc1[C@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821882661 606468815 /nfs/dbraw/zinc/46/88/15/606468815.db2.gz HFOSAZAMGZNEEH-VIFPVBQESA-N -1 1 347.831 3.777 20 0 EHADMM COc1ccccc1[C@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821882661 606468817 /nfs/dbraw/zinc/46/88/17/606468817.db2.gz HFOSAZAMGZNEEH-VIFPVBQESA-N -1 1 347.831 3.777 20 0 EHADMM CC1(C)CN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000824811835 608178844 /nfs/dbraw/zinc/17/88/44/608178844.db2.gz DQRMXFMZQQZJMW-LLVKDONJSA-N -1 1 346.847 3.564 20 0 EHADMM CC1(C)CN(c2snc(Cl)c2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000824811835 608178846 /nfs/dbraw/zinc/17/88/46/608178846.db2.gz DQRMXFMZQQZJMW-LLVKDONJSA-N -1 1 346.847 3.564 20 0 EHADMM CC(C)(C)CCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824085068 608347995 /nfs/dbraw/zinc/34/79/95/608347995.db2.gz AAOXAOFOEZEHGD-UHFFFAOYSA-N -1 1 335.477 3.991 20 0 EHADMM CC(C)(C)CCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824085068 608347997 /nfs/dbraw/zinc/34/79/97/608347997.db2.gz AAOXAOFOEZEHGD-UHFFFAOYSA-N -1 1 335.477 3.991 20 0 EHADMM C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824925738 609509570 /nfs/dbraw/zinc/50/95/70/609509570.db2.gz GIFUNCPTAJIUNK-ZJUUUORDSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824925738 609509571 /nfs/dbraw/zinc/50/95/71/609509571.db2.gz GIFUNCPTAJIUNK-ZJUUUORDSA-N -1 1 333.461 3.600 20 0 EHADMM C(=C/[C@@H]1CCCCCN1c1cccc(-c2nnn[n-]2)n1)\c1ccccc1 ZINC001573292603 946935590 /nfs/dbraw/zinc/93/55/90/946935590.db2.gz YSYZNKMDSDKCBN-CLVCIHKQSA-N -1 1 346.438 3.724 20 0 EHADMM C(=C/[C@@H]1CCCCCN1c1cccc(-c2nn[n-]n2)n1)\c1ccccc1 ZINC001573292603 946935595 /nfs/dbraw/zinc/93/55/95/946935595.db2.gz YSYZNKMDSDKCBN-CLVCIHKQSA-N -1 1 346.438 3.724 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2sccc2Br)C1 ZINC000043676826 948894846 /nfs/dbraw/zinc/89/48/46/948894846.db2.gz GVKNFCDIHSNXKC-JTQLQIEISA-N -1 1 332.263 3.587 20 0 EHADMM C[C@H](CCSc1ccccc1)Sc1cccnc1-c1nnn[n-]1 ZINC001574692947 949048123 /nfs/dbraw/zinc/04/81/23/949048123.db2.gz DSQADWAJBVLSBM-GFCCVEGCSA-N -1 1 343.481 3.925 20 0 EHADMM C[C@H](CCSc1ccccc1)Sc1cccnc1-c1nn[n-]n1 ZINC001574692947 949048142 /nfs/dbraw/zinc/04/81/42/949048142.db2.gz DSQADWAJBVLSBM-GFCCVEGCSA-N -1 1 343.481 3.925 20 0 EHADMM COc1cc(Cl)c(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000263055982 950236260 /nfs/dbraw/zinc/23/62/60/950236260.db2.gz LTWFUOOPKHMWRQ-ONGXEEELSA-N -1 1 332.227 3.545 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2C[C@H]2C2CC2)c(-c2nnn[n-]2)s1 ZINC001573879945 950735426 /nfs/dbraw/zinc/73/54/26/950735426.db2.gz PPLUCBHXZBRUAT-QWRGUYRKSA-N -1 1 345.472 3.600 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2C[C@H]2C2CC2)c(-c2nn[n-]n2)s1 ZINC001573879945 950735435 /nfs/dbraw/zinc/73/54/35/950735435.db2.gz PPLUCBHXZBRUAT-QWRGUYRKSA-N -1 1 345.472 3.600 20 0 EHADMM Cc1nc2scc(C3CC3)n2c1CN1CCC(CCC(=O)[O-])CC1 ZINC000665343776 954543916 /nfs/dbraw/zinc/54/39/16/954543916.db2.gz UKXGPIDGSQDLSD-UHFFFAOYSA-N -1 1 347.484 3.658 20 0 EHADMM C[C@](NCc1ccc(OC(F)F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001589131500 956196807 /nfs/dbraw/zinc/19/68/07/956196807.db2.gz QKDFGZVRRJNFGV-QGZVFWFLSA-N -1 1 339.313 3.517 20 0 EHADMM Cc1ccc(-c2cc(NC(=O)Nc3ccc(C(=O)[O-])c(C)c3)[nH]n2)o1 ZINC001594334034 958250533 /nfs/dbraw/zinc/25/05/33/958250533.db2.gz KXJNCXPLTARQRU-UHFFFAOYSA-N -1 1 340.339 3.629 20 0 EHADMM CC1(C)CN(CCCC(=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001573676243 959726939 /nfs/dbraw/zinc/72/69/39/959726939.db2.gz WMTIMJIAURXCQA-AWEZNQCLSA-N -1 1 345.361 3.722 20 0 EHADMM O=C([O-])c1cccc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC001332421343 961568337 /nfs/dbraw/zinc/56/83/37/961568337.db2.gz YLVRNIJPQYBFDM-ZWKOTPCHSA-N -1 1 329.371 3.534 20 0 EHADMM Cc1ccc(-c2cnc(CN3CCC[C@H](CCC(=O)[O-])C3)o2)cc1 ZINC000263056189 962193716 /nfs/dbraw/zinc/19/37/16/962193716.db2.gz DZQVHFZXDGGREK-OAHLLOKOSA-N -1 1 328.412 3.727 20 0 EHADMM O=C([O-])[C@@]1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC=CCC1 ZINC000653281907 968637900 /nfs/dbraw/zinc/63/79/00/968637900.db2.gz FNUHGJDGOKTEMS-IBGZPJMESA-N -1 1 339.395 3.580 20 0 EHADMM Cc1csc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)n1 ZINC000520255371 974338402 /nfs/dbraw/zinc/33/84/02/974338402.db2.gz GHHAOBNRZVIVNH-UHFFFAOYSA-N -1 1 330.453 3.604 20 0 EHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(Br)s1 ZINC000530180263 974364640 /nfs/dbraw/zinc/36/46/40/974364640.db2.gz WADXRPJLSRJDCG-IUCAKERBSA-N -1 1 332.263 3.584 20 0 EHADMM C[C@@]1(CCc2ccccc2)CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000577071067 974828524 /nfs/dbraw/zinc/82/85/24/974828524.db2.gz JEZRPLOLZRXKDL-GOSISDBHSA-N -1 1 330.453 3.686 20 0 EHADMM CCCOc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000582895014 974933083 /nfs/dbraw/zinc/93/30/83/974933083.db2.gz XJQDKBHBPIKJBI-UHFFFAOYSA-N -1 1 340.423 3.736 20 0 EHADMM CCN(CCC(=O)[O-])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000634692270 975273135 /nfs/dbraw/zinc/27/31/35/975273135.db2.gz XFKIFKYGKMKYJS-UHFFFAOYSA-N -1 1 342.317 3.657 20 0 EHADMM CC(C)c1[nH]c(CN2CCCO[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC001591912100 976336260 /nfs/dbraw/zinc/33/62/60/976336260.db2.gz CGSJBBKZOIPPSV-SFHVURJKSA-N -1 1 342.439 3.800 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001591986390 976608331 /nfs/dbraw/zinc/60/83/31/976608331.db2.gz DEKGPCHEVUMHLP-YOEHRIQHSA-N -1 1 346.471 3.667 20 0 EHADMM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 ZINC001592361866 977851899 /nfs/dbraw/zinc/85/18/99/977851899.db2.gz HQVWGPKUYOHOLV-LBPRGKRZSA-N -1 1 343.427 3.735 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1F)c1ccc(C(F)(F)F)cc1 ZINC000756349687 978699047 /nfs/dbraw/zinc/69/90/47/978699047.db2.gz MMVZNMSRQNYART-CQSZACIVSA-N -1 1 327.277 3.760 20 0 EHADMM O=C([O-])c1ccccc1OCCN[C@H](c1ccccc1)c1ccccn1 ZINC000768781470 978739937 /nfs/dbraw/zinc/73/99/37/978739937.db2.gz IFDCPVOLTGDGGK-HXUWFJFHSA-N -1 1 348.402 3.538 20 0 EHADMM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000849231181 979489184 /nfs/dbraw/zinc/48/91/84/979489184.db2.gz VZNAIFBVPXDQBR-GOSISDBHSA-N -1 1 331.387 3.838 20 0 EHADMM Nc1c(Cl)cc(Cl)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000901496660 980316590 /nfs/dbraw/zinc/31/65/90/980316590.db2.gz XFJHUWXGQRARNN-UHFFFAOYSA-N -1 1 331.243 3.652 20 0 EHADMM CC[C@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccccc1OC ZINC001595280726 980326239 /nfs/dbraw/zinc/32/62/39/980326239.db2.gz BITUMXLEEQSFNT-PBHICJAKSA-N -1 1 343.423 3.961 20 0 EHADMM CCc1ncc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000901549716 980375332 /nfs/dbraw/zinc/37/53/32/980375332.db2.gz KYFALLYACHHKHL-ZDUSSCGKSA-N -1 1 344.358 3.640 20 0 EHADMM COCc1ccccc1/C=C(/C)CN[C@@H](C(=O)[O-])c1cccs1 ZINC000901598988 980400367 /nfs/dbraw/zinc/40/03/67/980400367.db2.gz RMJPBFPSXMMGMU-OJNOIJSXSA-N -1 1 331.437 3.713 20 0 EHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1Br)c1ccncc1 ZINC001595299534 980428685 /nfs/dbraw/zinc/42/86/85/980428685.db2.gz WTUDISQZPHIQAB-OAHLLOKOSA-N -1 1 349.228 3.783 20 0 EHADMM O=C([O-])[C@H]1CCCCCN1Cc1cnc(CCc2ccccc2)s1 ZINC000902035904 980707735 /nfs/dbraw/zinc/70/77/35/980707735.db2.gz SVQOEOMNHMAFKU-QGZVFWFLSA-N -1 1 344.480 3.758 20 0 EHADMM COc1cc([C@@H](C)NCc2cc(C(=O)[O-])oc2C)ccc1OC(C)C ZINC000902121499 980745047 /nfs/dbraw/zinc/74/50/47/980745047.db2.gz YBCYGZIHGNEXLY-GFCCVEGCSA-N -1 1 347.411 3.933 20 0 EHADMM CCc1oc(CN[C@H](c2ccc(OC)cc2)C2CC2)cc1C(=O)[O-] ZINC000902128479 980748379 /nfs/dbraw/zinc/74/83/79/980748379.db2.gz DJVJNFZALILDSM-SFHVURJKSA-N -1 1 329.396 3.790 20 0 EHADMM C[C@H](Oc1ccc(CNCc2cc(C3CC3)ccc2F)cc1)C(=O)[O-] ZINC000902350956 980844914 /nfs/dbraw/zinc/84/49/14/980844914.db2.gz WRMWTCUCXZYWEP-ZDUSSCGKSA-N -1 1 343.398 3.845 20 0 EHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1Cl ZINC000683172648 1014735675 /nfs/dbraw/zinc/73/56/75/1014735675.db2.gz FNIKZOPLNJTYJP-OAHLLOKOSA-N -1 1 341.741 3.542 20 0 EHADMM CC[C@](C)(NCCOc1ccc(/C=C/C(=O)[O-])cc1)c1nccs1 ZINC001594852195 982092931 /nfs/dbraw/zinc/09/29/31/982092931.db2.gz FXIHOOMFBBOHNY-YOCVDRLZSA-N -1 1 346.452 3.535 20 0 EHADMM CCN(Cc1cc(C(=O)[O-])c2n1CCCC2)[C@H](C)c1cccc(O)c1 ZINC001596354603 983820934 /nfs/dbraw/zinc/82/09/34/983820934.db2.gz ZWGPHBWWKNDVIX-CQSZACIVSA-N -1 1 342.439 3.811 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001599945278 985516128 /nfs/dbraw/zinc/51/61/28/985516128.db2.gz OXUBRVGGEAOJGE-UONOGXRCSA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCCC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599946170 985530448 /nfs/dbraw/zinc/53/04/48/985530448.db2.gz WPZHGKYXOCBOAG-INIZCTEOSA-N -1 1 340.423 3.740 20 0 EHADMM Cc1[nH]c(CN2CC=C(c3c[nH]c4ccccc43)CC2)cc1C(=O)[O-] ZINC001599960948 985780236 /nfs/dbraw/zinc/78/02/36/985780236.db2.gz AJKLDXLKHDHFEI-UHFFFAOYSA-N -1 1 335.407 3.792 20 0 EHADMM CCOC[C@@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(C)C ZINC001596890260 985809643 /nfs/dbraw/zinc/80/96/43/985809643.db2.gz XOBHUYYNMOTUSU-MRXNPFEDSA-N -1 1 348.468 3.659 20 0 EHADMM CCc1[nH]c(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC001597383909 987585834 /nfs/dbraw/zinc/58/58/34/987585834.db2.gz GWNRUCKKIRZMBL-XIKOKIGWSA-N -1 1 330.403 3.998 20 0 EHADMM CCc1ccc(CN[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)nc1 ZINC001597530305 988184112 /nfs/dbraw/zinc/18/41/12/988184112.db2.gz WNRUUUMZQJBTLS-SFHVURJKSA-N -1 1 332.831 3.777 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)cc(Cl)c1[O-] ZINC000655343500 1015376216 /nfs/dbraw/zinc/37/62/16/1015376216.db2.gz UZHXZDFGICEFKV-VIFPVBQESA-N -1 1 347.789 3.998 20 0 EHADMM COc1ccccc1[C@@H]1CCCCN1Cc1cncc(C(=O)[O-])c1 ZINC001599703984 991264717 /nfs/dbraw/zinc/26/47/17/991264717.db2.gz JUPWGTONIRVHLS-KRWDZBQOSA-N -1 1 326.396 3.516 20 0 EHADMM COc1cccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cc2)c1 ZINC000339814004 1015697661 /nfs/dbraw/zinc/69/76/61/1015697661.db2.gz HUASPFXWTHNPTF-UHFFFAOYSA-N -1 1 336.347 3.840 20 0 EHADMM COc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001599584887 993599941 /nfs/dbraw/zinc/59/99/41/993599941.db2.gz WRUOYYAMBWTGGV-LJQANCHMSA-N -1 1 339.366 3.903 20 0 EHADMM COc1ccc(OC)c([C@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599603257 993847456 /nfs/dbraw/zinc/84/74/56/993847456.db2.gz UCKVMIBVVNJGOJ-APPDUMDISA-N -1 1 349.814 3.834 20 0 EHADMM COc1ccc([C@H](C)NCc2ccc(C)c(C(=O)[O-])c2)c(OC)c1 ZINC001599621837 994094629 /nfs/dbraw/zinc/09/46/29/994094629.db2.gz WEFCSFGDPKVFIT-ZDUSSCGKSA-N -1 1 329.396 3.561 20 0 EHADMM C[C@](NCc1ccc(F)cn1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593299910 994726966 /nfs/dbraw/zinc/72/69/66/994726966.db2.gz YDIYEYSKCAGAIE-OAHLLOKOSA-N -1 1 343.185 3.617 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000339936014 1015984403 /nfs/dbraw/zinc/98/44/03/1015984403.db2.gz KECQVYPNMGWDKZ-UHFFFAOYSA-N -1 1 328.755 3.881 20 0 EHADMM O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cncc([O-])c1 ZINC000339943651 1015999683 /nfs/dbraw/zinc/99/96/83/1015999683.db2.gz KAUITKQYBNSFSX-UHFFFAOYSA-N -1 1 337.404 3.652 20 0 EHADMM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1ccc(C(=O)[O-])n1C ZINC001593694667 996152146 /nfs/dbraw/zinc/15/21/46/996152146.db2.gz YPVDGOABXBYXTJ-LLVKDONJSA-N -1 1 340.345 3.935 20 0 EHADMM COCCN(Cc1cc(C(=O)[O-])oc1C)Cc1ccc(C)cc1C ZINC001599237828 997977646 /nfs/dbraw/zinc/97/76/46/997977646.db2.gz CNQRMKWBDAVECL-UHFFFAOYSA-N -1 1 331.412 3.552 20 0 EHADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc(F)cc1 ZINC000109713764 1016239283 /nfs/dbraw/zinc/23/92/83/1016239283.db2.gz LEZCKLJAAPHGDR-ZETCQYMHSA-N -1 1 346.305 3.704 20 0 EHADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001594213182 998823022 /nfs/dbraw/zinc/82/30/22/998823022.db2.gz CANQMQHNKUARTD-NEPJUHHUSA-N -1 1 344.377 3.685 20 0 EHADMM C[C@@H]1CC[C@](NCc2ccncc2Cl)(C(=O)[O-])c2ccccc21 ZINC001594322196 999241183 /nfs/dbraw/zinc/24/11/83/999241183.db2.gz ZWPSBVCEWJUIES-KZULUSFZSA-N -1 1 330.815 3.702 20 0 EHADMM C[C@@H]1CCN(Cc2ccc(Cl)c(Br)c2)[C@@H](C(=O)[O-])C1 ZINC001594424308 999587816 /nfs/dbraw/zinc/58/78/16/999587816.db2.gz SFNLTFLCCTYEEA-NOZJJQNGSA-N -1 1 346.652 3.788 20 0 EHADMM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1ccc(F)c(F)c1 ZINC000510225916 1016525757 /nfs/dbraw/zinc/52/57/57/1016525757.db2.gz YOEIBEBVBPCQNY-UHFFFAOYSA-N -1 1 343.317 3.508 20 0 EHADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1C 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EHADMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc([O-])cc3F)[C@H](C)CO2)c1 ZINC000182003367 1017043473 /nfs/dbraw/zinc/04/34/73/1017043473.db2.gz GKXSKQDLGXLAST-KUHUBIRLSA-N -1 1 343.398 3.750 20 0 EHADMM Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000182039713 1017047566 /nfs/dbraw/zinc/04/75/66/1017047566.db2.gz LXUOFAFWWPDQJY-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCOc2cc(F)ccc21 ZINC000182040589 1017048294 /nfs/dbraw/zinc/04/82/94/1017048294.db2.gz QVDGZSDUVCDFMA-UHFFFAOYSA-N -1 1 341.260 3.589 20 0 EHADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182060657 1017050282 /nfs/dbraw/zinc/05/02/82/1017050282.db2.gz ADJBEDSBFXNXIA-JTQLQIEISA-N -1 1 339.313 3.950 20 0 EHADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C ZINC000485102375 1032307020 /nfs/dbraw/zinc/30/70/20/1032307020.db2.gz QUVDALWKZUYTKL-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000584383190 1032314948 /nfs/dbraw/zinc/31/49/48/1032314948.db2.gz KLHRKSXTCAPNPE-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1ccc(F)cc1 ZINC000182876042 1017196151 /nfs/dbraw/zinc/19/61/51/1017196151.db2.gz XWZWYMJWRYWJHS-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM CC1(C)CN(C(=O)c2cc(Br)ccc2[O-])[C@@H]2CCC[C@H]21 ZINC000378833826 1017303529 /nfs/dbraw/zinc/30/35/29/1017303529.db2.gz LHAWWIZZGSPWNM-CHWSQXEVSA-N -1 1 338.245 3.805 20 0 EHADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613638498 1017347283 /nfs/dbraw/zinc/34/72/83/1017347283.db2.gz STYHMHYOFVHQTP-ZWNOBZJWSA-N -1 1 338.329 3.743 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](c2ccncc2)C2CC2)cc(Cl)c1[O-] ZINC000890919779 1017355029 /nfs/dbraw/zinc/35/50/29/1017355029.db2.gz BZDQWWSCIJOJRT-MRXNPFEDSA-N -1 1 346.814 3.720 20 0 EHADMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1(C)C ZINC000613668013 1017697351 /nfs/dbraw/zinc/69/73/51/1017697351.db2.gz NXVBANAOCVCVOJ-PBHICJAKSA-N -1 1 325.412 3.959 20 0 EHADMM Cc1c(NC(=O)c2c(F)ccc([O-])c2F)cnn1-c1ccccc1F ZINC000377705125 1018223409 /nfs/dbraw/zinc/22/34/09/1018223409.db2.gz SKTLXAUHPYMFPN-UHFFFAOYSA-N -1 1 347.296 3.556 20 0 EHADMM CCCCc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)[nH]n1 ZINC000471497379 1018301801 /nfs/dbraw/zinc/30/18/01/1018301801.db2.gz WERKMYGCVDYXSP-UHFFFAOYSA-N -1 1 329.425 3.706 20 0 EHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(SC)cc2)[nH]n1 ZINC000471506400 1018394114 /nfs/dbraw/zinc/39/41/14/1018394114.db2.gz UHFSLNAKQKMGBA-NSHDSACASA-N -1 1 339.486 3.836 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000092429873 1032777197 /nfs/dbraw/zinc/77/71/97/1032777197.db2.gz XEGBTLBEYZDFNP-ZBFHGGJFSA-N -1 1 333.403 3.675 20 0 EHADMM COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(SC)ccc1[O-] ZINC000614373277 1018885837 /nfs/dbraw/zinc/88/58/37/1018885837.db2.gz JUUWWBBYOSJYLA-GFCCVEGCSA-N -1 1 346.452 3.813 20 0 EHADMM CC[C@]1(C)CC[N@@H+](Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC000580319656 1019014709 /nfs/dbraw/zinc/01/47/09/1019014709.db2.gz STEGHZFEISMPAN-OAHLLOKOSA-N -1 1 326.234 3.769 20 0 EHADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1C(=O)N(C)C(C)C ZINC000683881870 1019081305 /nfs/dbraw/zinc/08/13/05/1019081305.db2.gz HFIYVYXUBLWBSB-UHFFFAOYSA-N -1 1 344.386 3.572 20 0 EHADMM C/C=C/COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000729075877 1019179471 /nfs/dbraw/zinc/17/94/71/1019179471.db2.gz JVDQOPJVBVLMSZ-ONEGZZNKSA-N -1 1 345.420 3.529 20 0 EHADMM Cc1sc(C(=O)[O-])cc1CN1CCC(Oc2ccccc2F)CC1 ZINC000634696393 1019279200 /nfs/dbraw/zinc/27/92/00/1019279200.db2.gz WFZZIMYKZLXFCP-UHFFFAOYSA-N -1 1 349.427 3.937 20 0 EHADMM Cc1c([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)n[nH]c1C1CC1 ZINC000760324190 1032852426 /nfs/dbraw/zinc/85/24/26/1032852426.db2.gz XDWCYXPVMDAASJ-HJWRWDBZSA-N -1 1 337.832 3.662 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]nc1C1CC1 ZINC000760322253 1032856590 /nfs/dbraw/zinc/85/65/90/1032856590.db2.gz YARYBBNHBDLSRA-UHFFFAOYSA-N -1 1 333.457 3.694 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1CCC(c2ccccc2)CC1 ZINC000079719331 1020040723 /nfs/dbraw/zinc/04/07/23/1020040723.db2.gz CUCQWCCFIVDIRR-UHFFFAOYSA-N -1 1 338.333 3.736 20 0 EHADMM O=C(NCC1(c2ccccc2Cl)CC1)c1c(F)ccc([O-])c1F ZINC000580919020 1020234361 /nfs/dbraw/zinc/23/43/61/1020234361.db2.gz LXQIDPFQNDIXGF-UHFFFAOYSA-N -1 1 337.753 3.785 20 0 EHADMM COC(=O)c1[n-]c(=N[C@H](C)c2cccc(OC(C)C)c2)sc1C ZINC000434092751 1020240432 /nfs/dbraw/zinc/24/04/32/1020240432.db2.gz KPFVLGMOYXFBDJ-LLVKDONJSA-N -1 1 334.441 3.620 20 0 EHADMM O=C([O-])C[C@@H](NCc1cccc(F)c1F)c1cccc(Cl)c1 ZINC000580928390 1020251609 /nfs/dbraw/zinc/25/16/09/1020251609.db2.gz ANRKJZKWMHCNKX-CQSZACIVSA-N -1 1 325.742 3.924 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1Br ZINC000263532191 1020507040 /nfs/dbraw/zinc/50/70/40/1020507040.db2.gz XDGIQFSPZJGYLP-UWVGGRQHSA-N -1 1 346.652 3.788 20 0 EHADMM Cc1sccc1CC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000345814030 1020539910 /nfs/dbraw/zinc/53/99/10/1020539910.db2.gz QVMOLDNNBOKOHP-UHFFFAOYSA-N -1 1 337.857 3.765 20 0 EHADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1c(F)ccc([O-])c1F ZINC000280711829 1020600005 /nfs/dbraw/zinc/60/00/05/1020600005.db2.gz GPDWCSNIBSFSGU-UHFFFAOYSA-N -1 1 346.377 3.543 20 0 EHADMM CC(C)N(Cc1cccnc1)C(=O)c1ccc(Br)cc1[O-] ZINC000094020615 1032928085 /nfs/dbraw/zinc/92/80/85/1032928085.db2.gz FICGWYQWGOMHSZ-UHFFFAOYSA-N -1 1 349.228 3.601 20 0 EHADMM O=C([O-])c1cccc2c1CCN(CCSc1ccccc1F)C2 ZINC000322302195 1020968191 /nfs/dbraw/zinc/96/81/91/1020968191.db2.gz VAEGERXCFLAROZ-UHFFFAOYSA-N -1 1 331.412 3.674 20 0 EHADMM C[C@@H](CCc1cccc(F)c1)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000439121139 1021165259 /nfs/dbraw/zinc/16/52/59/1021165259.db2.gz UPGZDYAPJISMRP-LBPRGKRZSA-N -1 1 343.427 3.907 20 0 EHADMM O=C(NCc1nc2c(s1)CCCC2)c1cc2ccccc2cc1[O-] ZINC000436775621 1021205240 /nfs/dbraw/zinc/20/52/40/1021205240.db2.gz QVHOCDZBVYCNFU-UHFFFAOYSA-N -1 1 338.432 3.811 20 0 EHADMM CCCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1ccccc1 ZINC000436795072 1021240081 /nfs/dbraw/zinc/24/00/81/1021240081.db2.gz DVVSUHDNYCWANT-UHFFFAOYSA-N -1 1 339.370 3.922 20 0 EHADMM O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1c([O-])cccc1F ZINC000436811462 1021255311 /nfs/dbraw/zinc/25/53/11/1021255311.db2.gz BEQGXMBZLCFIBP-UHFFFAOYSA-N -1 1 331.309 3.916 20 0 EHADMM C[C@H](c1ccccc1Cl)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756356 1021275824 /nfs/dbraw/zinc/27/58/24/1021275824.db2.gz BKAFABBRPIOUGA-MXWKQRLJSA-N -1 1 335.753 3.986 20 0 EHADMM Cc1cccnc1C(F)(F)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436868384 1021309316 /nfs/dbraw/zinc/30/93/16/1021309316.db2.gz IHVZQSNFZOKSMM-UHFFFAOYSA-N -1 1 337.713 3.939 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1 ZINC000427323575 1021312520 /nfs/dbraw/zinc/31/25/20/1021312520.db2.gz XHCQXGQYYADIKU-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM CC1(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC1 ZINC000436882641 1021333688 /nfs/dbraw/zinc/33/36/88/1021333688.db2.gz UGIKLXQIPGTTEH-UHFFFAOYSA-N -1 1 330.428 3.583 20 0 EHADMM COc1ccc(-c2nc(Cc3cccc4cccnc43)no2)c([O-])c1 ZINC000436884035 1021335119 /nfs/dbraw/zinc/33/51/19/1021335119.db2.gz AWXBVVHYTBPULM-UHFFFAOYSA-N -1 1 333.347 3.590 20 0 EHADMM CC(C)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000436911005 1021356894 /nfs/dbraw/zinc/35/68/94/1021356894.db2.gz PMQBRLXTOJCNKZ-INIZCTEOSA-N -1 1 331.799 3.742 20 0 EHADMM O=C(C(=O)N1CCC[C@H]1c1cccc(Cl)c1)c1ccc([O-])cc1 ZINC000436901455 1021366320 /nfs/dbraw/zinc/36/63/20/1021366320.db2.gz MVGPKZBDWYBKTP-INIZCTEOSA-N -1 1 329.783 3.592 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(OC(F)F)cc1 ZINC000436950054 1021392807 /nfs/dbraw/zinc/39/28/07/1021392807.db2.gz XZJBZMRZWNCJKG-SECBINFHSA-N -1 1 325.286 3.624 20 0 EHADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2[O-])C12CCC2 ZINC000436940744 1021402295 /nfs/dbraw/zinc/40/22/95/1021402295.db2.gz YEJYRODDGMRMMF-DLBZAZTESA-N -1 1 325.408 3.623 20 0 EHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H](c1ncc[nH]1)c1ccccc1 ZINC000436964911 1021411804 /nfs/dbraw/zinc/41/18/04/1021411804.db2.gz IBKLEVXZYONHFB-INIZCTEOSA-N -1 1 341.798 3.630 20 0 EHADMM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1ccc([O-])cc1F ZINC000436954412 1021418626 /nfs/dbraw/zinc/41/86/26/1021418626.db2.gz GMQPWAFMTOZKSQ-CQSZACIVSA-N -1 1 341.304 3.997 20 0 EHADMM CCOc1cc(-c2nc([C@@](C)(OC)C3CC3)no2)cc(Cl)c1[O-] ZINC000436955939 1021420865 /nfs/dbraw/zinc/42/08/65/1021420865.db2.gz NUKUGTWVZFYCFT-INIZCTEOSA-N -1 1 338.791 3.766 20 0 EHADMM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1c([O-])cccc1F ZINC000436957634 1021423322 /nfs/dbraw/zinc/42/33/22/1021423322.db2.gz ZFXVMCPWMYILOC-LBPRGKRZSA-N -1 1 341.304 3.997 20 0 EHADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(Br)ccc1[O-] ZINC000436973706 1021427811 /nfs/dbraw/zinc/42/78/11/1021427811.db2.gz UNGRNHLSPHOUKJ-UHIISALHSA-N -1 1 338.245 3.948 20 0 EHADMM CCOC(=O)Cc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436976558 1021432985 /nfs/dbraw/zinc/43/29/85/1021432985.db2.gz CFVAEJCZERCSNT-UHFFFAOYSA-N -1 1 341.407 3.874 20 0 EHADMM CC1(C)CC[C@@H]2C[C@H](NC(=O)C(=O)c3ccc([O-])cc3)c3cccc1c32 ZINC000436995543 1021453233 /nfs/dbraw/zinc/45/32/33/1021453233.db2.gz IUYIZYCGFWGZSE-KDOFPFPSSA-N -1 1 349.430 3.991 20 0 EHADMM Cc1ccc([C@@H](NC(=O)c2c([O-])cccc2F)c2ccccn2)cc1 ZINC000437003667 1021459973 /nfs/dbraw/zinc/45/99/73/1021459973.db2.gz ROUWKKZDMOLVEP-LJQANCHMSA-N -1 1 336.366 3.754 20 0 EHADMM CC(C)[C@@H]1N(C(=O)c2ccc(Br)cc2[O-])CC1(C)C ZINC000437006350 1021462205 /nfs/dbraw/zinc/46/22/05/1021462205.db2.gz RATOVVJAMJUCRT-ZDUSSCGKSA-N -1 1 326.234 3.661 20 0 EHADMM CC[C@@H](C(=O)N[N-]C(=O)c1oc2ccccc2c1C)c1ccccc1 ZINC000028665070 1021499858 /nfs/dbraw/zinc/49/98/58/1021499858.db2.gz LVFVGWNLDDRSJO-OAHLLOKOSA-N -1 1 336.391 3.696 20 0 EHADMM Cc1cnc(C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000426417722 1021529148 /nfs/dbraw/zinc/52/91/48/1021529148.db2.gz TWWLLWAXQBJXMH-LLVKDONJSA-N -1 1 338.329 3.948 20 0 EHADMM Cc1cn2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc2n1 ZINC000437173616 1021610751 /nfs/dbraw/zinc/61/07/51/1021610751.db2.gz UWPNTDQJXNZLCF-UHFFFAOYSA-N -1 1 337.404 3.597 20 0 EHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1[C@H]1CCOC1 ZINC000528877511 1032993058 /nfs/dbraw/zinc/99/30/58/1032993058.db2.gz OZVKDKCPRJYQJG-ZDUSSCGKSA-N -1 1 334.803 3.678 20 0 EHADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ocnc1C1CC1 ZINC000519843780 1021721000 /nfs/dbraw/zinc/72/10/00/1021721000.db2.gz RTEKUYLSAARFCO-UHFFFAOYSA-N -1 1 332.429 3.779 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cc(-c3ccc(Cl)cc3)no2)n1 ZINC000188093887 1021817508 /nfs/dbraw/zinc/81/75/08/1021817508.db2.gz WMLRCUGFHUXZPO-UHFFFAOYSA-N -1 1 347.827 3.933 20 0 EHADMM Cc1nn(C(C)C)cc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000581833044 1021851936 /nfs/dbraw/zinc/85/19/36/1021851936.db2.gz AGWSDDJCKBSSEJ-UHFFFAOYSA-N -1 1 349.847 3.552 20 0 EHADMM Cc1ccc(Nc2nc(CN3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000517030275 1021958067 /nfs/dbraw/zinc/95/80/67/1021958067.db2.gz QKXDRZXYZRWLRY-CJNGLKHVSA-N -1 1 345.468 3.738 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C)cc2Cl)c1 ZINC000520411645 1022218079 /nfs/dbraw/zinc/21/80/79/1022218079.db2.gz AGUPMQUQYPCWMZ-KRWDZBQOSA-N -1 1 333.815 3.963 20 0 EHADMM CC(C)c1ncc(CN(C)C(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000441406074 1022235419 /nfs/dbraw/zinc/23/54/19/1022235419.db2.gz LVYNHAQMCZCRDS-UHFFFAOYSA-N -1 1 335.407 3.731 20 0 EHADMM C[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1C ZINC000519548955 1022329138 /nfs/dbraw/zinc/32/91/38/1022329138.db2.gz PGYKSVBSDCTBQE-OLZOCXBDSA-N -1 1 330.453 3.986 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)sc1Cl ZINC000473956450 1022400572 /nfs/dbraw/zinc/40/05/72/1022400572.db2.gz MEEDOLUMXUKJCU-QMMMGPOBSA-N -1 1 349.827 3.965 20 0 EHADMM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccc(Cl)cc1Cl ZINC000510501184 1022524260 /nfs/dbraw/zinc/52/42/60/1022524260.db2.gz IUKLIQSQPNSGOF-UHFFFAOYSA-N -1 1 348.173 3.614 20 0 EHADMM Cc1ccc([C@H](NCc2ccccc2Br)C(=O)[O-])cc1 ZINC000426700183 1022970430 /nfs/dbraw/zinc/97/04/30/1022970430.db2.gz 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O=C([O-])C[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000054299091 1025218627 /nfs/dbraw/zinc/21/86/27/1025218627.db2.gz POKLGOFWQRULGQ-NSHDSACASA-N -1 1 332.227 3.559 20 0 EHADMM O=C(Nc1nc2cc(F)c(F)cc2s1)c1c(F)ccc([O-])c1F ZINC000582089610 1025219804 /nfs/dbraw/zinc/21/98/04/1025219804.db2.gz NWFFNUWPAUTVJX-UHFFFAOYSA-N -1 1 342.273 3.811 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1F ZINC000442241247 1025222874 /nfs/dbraw/zinc/22/28/74/1025222874.db2.gz JHSOKZMDFRXIPC-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCC(=O)Nc1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000521433121 1025386233 /nfs/dbraw/zinc/38/62/33/1025386233.db2.gz PJQOCWNYJNZEPV-UHFFFAOYSA-N -1 1 348.402 3.824 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1 ZINC000436170124 1025432989 /nfs/dbraw/zinc/43/29/89/1025432989.db2.gz ASYZRNGVXQXVAG-UHFFFAOYSA-N -1 1 332.450 3.999 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2ccn(-c3ccc(F)cc3F)n2)n1 ZINC000436197460 1025466702 /nfs/dbraw/zinc/46/67/02/1025466702.db2.gz 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C[S@](=O)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436554945 1025859119 /nfs/dbraw/zinc/85/91/19/1025859119.db2.gz KVRKZEZPUCGOJD-QHCPKHFHSA-N -1 1 325.389 3.535 20 0 EHADMM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436553160 1025859501 /nfs/dbraw/zinc/85/95/01/1025859501.db2.gz BXPQKIIPITZJKS-NSHDSACASA-N -1 1 346.224 3.914 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c([O-])c1 ZINC000436577572 1025881526 /nfs/dbraw/zinc/88/15/26/1025881526.db2.gz VARKFQMYYNGUTP-UHFFFAOYSA-N -1 1 325.286 3.758 20 0 EHADMM COc1cc(OC)c(OC)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436599029 1025916557 /nfs/dbraw/zinc/91/65/57/1025916557.db2.gz WJQHNLRFQJHTTF-UHFFFAOYSA-N -1 1 345.395 3.794 20 0 EHADMM COc1ccc(-c2nc(-c3ccc(O)c4ccccc34)no2)c([O-])c1 ZINC000436614067 1025946915 /nfs/dbraw/zinc/94/69/15/1025946915.db2.gz UWIMLMNSQYPQPS-UHFFFAOYSA-N -1 1 334.331 3.977 20 0 EHADMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1Oc1ccncc1 ZINC000436629047 1025953851 /nfs/dbraw/zinc/95/38/51/1025953851.db2.gz HRCWDJOEJYSOFX-UHFFFAOYSA-N -1 1 348.358 3.709 20 0 EHADMM Cc1csc(Nc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)n1 ZINC000436622626 1025971834 /nfs/dbraw/zinc/97/18/34/1025971834.db2.gz DLTYNSJAOFEZAQ-UHFFFAOYSA-N -1 1 341.392 3.859 20 0 EHADMM COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000652851328 1025991565 /nfs/dbraw/zinc/99/15/65/1025991565.db2.gz XVVVPIUAEDICCI-INIZCTEOSA-N -1 1 343.398 3.777 20 0 EHADMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436666278 1026006052 /nfs/dbraw/zinc/00/60/52/1026006052.db2.gz QIKNBBTXBMYAFB-UHFFFAOYSA-N -1 1 338.190 3.540 20 0 EHADMM Cc1ccnc([C@H](NC(=O)c2ccc3ccccc3c2[O-])C2CC2)n1 ZINC000436682742 1026034810 /nfs/dbraw/zinc/03/48/10/1026034810.db2.gz RLRDADCFYNGCHV-QGZVFWFLSA-N -1 1 333.391 3.525 20 0 EHADMM O=C(Nc1ccccc1-c1noc(-c2ccc([O-])cc2F)n1)C1CC1 ZINC000436690798 1026047481 /nfs/dbraw/zinc/04/74/81/1026047481.db2.gz RASBRCSCMZRCPZ-UHFFFAOYSA-N -1 1 339.326 3.597 20 0 EHADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])Cc2ccccc2O1 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C[C@@H]1COc2ccccc2CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436738815 1026106722 /nfs/dbraw/zinc/10/67/22/1026106722.db2.gz UQRCLRVQDYMOFA-CQSZACIVSA-N -1 1 333.387 3.969 20 0 EHADMM COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000436739486 1026107754 /nfs/dbraw/zinc/10/77/54/1026107754.db2.gz OBYKDONFQITSEU-UHFFFAOYSA-N -1 1 349.386 3.953 20 0 EHADMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436746858 1026134899 /nfs/dbraw/zinc/13/48/99/1026134899.db2.gz HVRXDYGLDWWEEP-GTNSWQLSSA-N -1 1 349.814 3.560 20 0 EHADMM O=C(Nc1nc(C2CC2)cs1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874316 1026273344 /nfs/dbraw/zinc/27/33/44/1026273344.db2.gz MNCXMXWTKGOPER-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)Oc1ccccc1 ZINC000684874886 1026284741 /nfs/dbraw/zinc/28/47/41/1026284741.db2.gz ZYXQRKGDQJUINI-LLVKDONJSA-N -1 1 339.313 3.608 20 0 EHADMM CCc1noc(C)c1[N-]C(=O)c1nccnc1Sc1ccccc1 ZINC000342581940 1026350900 /nfs/dbraw/zinc/35/09/00/1026350900.db2.gz MUELDMSFZSXMDG-UHFFFAOYSA-N -1 1 340.408 3.739 20 0 EHADMM Cc1nn(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1-c1ccccc1 ZINC000444333623 1026396236 /nfs/dbraw/zinc/39/62/36/1026396236.db2.gz ALFHJSDTVKJTPX-UHFFFAOYSA-N -1 1 341.798 3.856 20 0 EHADMM Cc1cc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)no1 ZINC000277701979 1026626311 /nfs/dbraw/zinc/62/63/11/1026626311.db2.gz WECUGFOLETUMBO-CYBMUJFWSA-N -1 1 340.408 3.555 20 0 EHADMM O=c1[n-]c(Oc2cc(F)ccc2F)nc2c1cnn2-c1ccccc1 ZINC000301403855 1026793146 /nfs/dbraw/zinc/79/31/46/1026793146.db2.gz KNGUVXPCDTYDFW-UHFFFAOYSA-N -1 1 340.289 3.592 20 0 EHADMM Cc1cccc(CCNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301417995 1026798254 /nfs/dbraw/zinc/79/82/54/1026798254.db2.gz RIPQMJNNMLMWMT-UHFFFAOYSA-N -1 1 334.423 3.824 20 0 EHADMM COc1cc(C(=O)NCC[C@@H]2CCc3ccccc32)cc(Cl)c1[O-] ZINC000452719361 1026962090 /nfs/dbraw/zinc/96/20/90/1026962090.db2.gz RQMAAFCIGWZUCY-ZDUSSCGKSA-N -1 1 345.826 3.904 20 0 EHADMM C[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)Cc1cccs1 ZINC000531487450 1026981742 /nfs/dbraw/zinc/98/17/42/1026981742.db2.gz NLDCLFRRZPEEEY-GFCCVEGCSA-N -1 1 335.450 3.651 20 0 EHADMM C[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)Sc1ccccc1 ZINC000531487059 1026981985 /nfs/dbraw/zinc/98/19/85/1026981985.db2.gz WFLOFFVMSSAWJL-ZDUSSCGKSA-N -1 1 347.461 3.892 20 0 EHADMM Cc1nc(-c2ccc(NCCC[C@@H]3CCCCO3)nc2)[n-]c(=O)c1C ZINC000302205960 1027088207 /nfs/dbraw/zinc/08/82/07/1027088207.db2.gz DKGQKBTWYLGTJF-INIZCTEOSA-N -1 1 342.443 3.622 20 0 EHADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1[O-] ZINC000444392023 1027437476 /nfs/dbraw/zinc/43/74/76/1027437476.db2.gz MXYBMXXIEDEPMG-CQSZACIVSA-N -1 1 342.439 3.750 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000414452824 1027498374 /nfs/dbraw/zinc/49/83/74/1027498374.db2.gz MEWOBOAAQVDZMU-GFCCVEGCSA-N -1 1 341.782 3.658 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000277888239 1027624907 /nfs/dbraw/zinc/62/49/07/1027624907.db2.gz FHQFKEIKTLVGLK-OAHLLOKOSA-N -1 1 345.830 3.625 20 0 EHADMM Cc1cc(CN2CCC[C@@H](C(=O)[O-])[C@H]2C)sc1Br ZINC000422637788 1027834909 /nfs/dbraw/zinc/83/49/09/1027834909.db2.gz RXQWUFXYIFHGON-MWLCHTKSSA-N -1 1 332.263 3.504 20 0 EHADMM CC(C)c1csc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000133085542 1027995848 /nfs/dbraw/zinc/99/58/48/1027995848.db2.gz ZNDFFWSVCFKJHZ-UHFFFAOYSA-N -1 1 348.852 3.538 20 0 EHADMM COc1cc(C(=O)Nc2ccc(N(C)C)cc2C)cc(Cl)c1[O-] ZINC000153586485 1028248873 /nfs/dbraw/zinc/24/88/73/1028248873.db2.gz GEYZHEVYWBQSIO-UHFFFAOYSA-N -1 1 334.803 3.681 20 0 EHADMM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2F)c1 ZINC000583032948 1028594915 /nfs/dbraw/zinc/59/49/15/1028594915.db2.gz ZYHLTHVVPNFQLU-QGZVFWFLSA-N -1 1 335.350 3.668 20 0 EHADMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074273745 1028605647 /nfs/dbraw/zinc/60/56/47/1028605647.db2.gz QEWZHRSMOHFSHT-LBPRGKRZSA-N -1 1 347.374 3.915 20 0 EHADMM CC(C)Cc1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000504398997 1028609418 /nfs/dbraw/zinc/60/94/18/1028609418.db2.gz LEZUCNMDRWFNCR-UHFFFAOYSA-N -1 1 340.349 3.593 20 0 EHADMM CC(C)(C)c1ncsc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343011266 1028644976 /nfs/dbraw/zinc/64/49/76/1028644976.db2.gz ZKJQCYLYVWGXSM-UHFFFAOYSA-N -1 1 342.424 3.789 20 0 EHADMM COc1cc(-c2noc(C3=CCCC3)n2)cc(Br)c1[O-] ZINC000445398542 1028763587 /nfs/dbraw/zinc/76/35/87/1028763587.db2.gz WBYQDSDJWAMKLQ-UHFFFAOYSA-N -1 1 337.173 3.781 20 0 EHADMM Cc1cc2c(cc1C)O[C@H](c1nc(-c3ccc([O-])cc3F)no1)C2 ZINC000445464993 1028811020 /nfs/dbraw/zinc/81/10/20/1028811020.db2.gz XGECMBAPDBZCDC-INIZCTEOSA-N -1 1 326.327 3.874 20 0 EHADMM O=C(CCc1nc(-c2ccc([O-])cc2F)no1)c1cccc(F)c1 ZINC000445456980 1028825980 /nfs/dbraw/zinc/82/59/80/1028825980.db2.gz LHGXLMVSHGECIF-UHFFFAOYSA-N -1 1 330.290 3.536 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3ccc(Br)cc3)n2)cc1F ZINC000445477189 1028835002 /nfs/dbraw/zinc/83/50/02/1028835002.db2.gz MMACAARTOZZVIZ-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM [O-]c1ccc(-c2noc(CCCOc3cccc(F)c3)n2)cc1F ZINC000445479749 1028837321 /nfs/dbraw/zinc/83/73/21/1028837321.db2.gz XAICDLLNNQCUPP-UHFFFAOYSA-N -1 1 332.306 3.732 20 0 EHADMM Cc1cccc2[nH]c(CCc3nc(-c4ccc([O-])c(F)c4)no3)nc21 ZINC000445479167 1028838159 /nfs/dbraw/zinc/83/81/59/1028838159.db2.gz IZYPOOZSEVITMS-UHFFFAOYSA-N -1 1 338.342 3.551 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3ccccc3Br)n2)cc1F ZINC000445478866 1028838771 /nfs/dbraw/zinc/83/87/71/1028838771.db2.gz IIIPTODOIUMUPI-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM COc1ccc(C[C@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445480656 1028841730 /nfs/dbraw/zinc/84/17/30/1028841730.db2.gz MMEDTEIVVNMRRK-NSHDSACASA-N -1 1 328.343 3.936 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3cccc(Br)c3)n2)cc1F ZINC000445484127 1028846912 /nfs/dbraw/zinc/84/69/12/1028846912.db2.gz WBXDCELLPVDBHS-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM C[C@@H]1CCCN(Cc2ccc(Cl)cc2Br)[C@@H]1C(=O)[O-] ZINC000424270181 1028941440 /nfs/dbraw/zinc/94/14/40/1028941440.db2.gz NIIKWRLQWCVQQH-RNCFNFMXSA-N -1 1 346.652 3.788 20 0 EHADMM COc1cc(-c2nc(-c3ncccc3SC)no2)cc(Cl)c1[O-] ZINC000445610328 1028986881 /nfs/dbraw/zinc/98/68/81/1028986881.db2.gz ZROYJKHZTKGZOO-UHFFFAOYSA-N -1 1 349.799 3.888 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)cc1 ZINC000614878043 1029017756 /nfs/dbraw/zinc/01/77/56/1029017756.db2.gz JPKVRGYMQNZPHF-UHFFFAOYSA-N -1 1 334.441 3.622 20 0 EHADMM COc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000343081313 1029036515 /nfs/dbraw/zinc/03/65/15/1029036515.db2.gz WCLJOCVZNGBANR-UHFFFAOYSA-N -1 1 331.799 3.516 20 0 EHADMM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000422074139 1029061111 /nfs/dbraw/zinc/06/11/11/1029061111.db2.gz VRAMBBPMHDCJGB-HNNXBMFYSA-N -1 1 341.480 3.548 20 0 EHADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000272453707 1029465737 /nfs/dbraw/zinc/46/57/37/1029465737.db2.gz MYYGKAAHTORXAB-UHFFFAOYSA-N -1 1 349.428 3.816 20 0 EHADMM Cn1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1Cc1ccccc1 ZINC000446224473 1029506890 /nfs/dbraw/zinc/50/68/90/1029506890.db2.gz AKMUZROYBANCIV-UHFFFAOYSA-N -1 1 341.798 3.622 20 0 EHADMM O=C(NC1CCC(c2ccccc2)CC1)c1csc(=NC2CC2)[n-]1 ZINC000524854572 1029567467 /nfs/dbraw/zinc/56/74/67/1029567467.db2.gz ZBULAQHMXVEVSH-UHFFFAOYSA-N -1 1 341.480 3.596 20 0 EHADMM C/C=C(/CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000588574661 1029596811 /nfs/dbraw/zinc/59/68/11/1029596811.db2.gz OLFHOKMXNYGCAM-BNNQUZSASA-N -1 1 344.436 3.782 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1cc(Br)ccc1F ZINC000050924960 1029612797 /nfs/dbraw/zinc/61/27/97/1029612797.db2.gz JNOQUDXSTXOGSP-CYBMUJFWSA-N -1 1 344.224 3.808 20 0 EHADMM O=C(Nc1c[nH]nc1-c1nccs1)Nc1ccc([O-])c(Cl)c1 ZINC000446383912 1029616526 /nfs/dbraw/zinc/61/65/26/1029616526.db2.gz LNGGMHJDRGPPAZ-UHFFFAOYSA-N -1 1 335.776 3.536 20 0 EHADMM Cc1n[nH]c([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)c1C ZINC000533360531 1029642931 /nfs/dbraw/zinc/64/29/31/1029642931.db2.gz KBCBPIDVULJQNW-UHFFFAOYSA-N -1 1 339.804 3.535 20 0 EHADMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000088310776 1029686567 /nfs/dbraw/zinc/68/65/67/1029686567.db2.gz PHOBRZUEJAQXFJ-RKDXNWHRSA-N -1 1 340.308 3.614 20 0 EHADMM CCOc1cc(-c2noc(CCc3ccco3)n2)cc(Cl)c1[O-] ZINC000278217460 1029694841 /nfs/dbraw/zinc/69/48/41/1029694841.db2.gz ZPOHIXAKQYPVBS-UHFFFAOYSA-N -1 1 334.759 3.873 20 0 EHADMM COc1cc(C(=O)Nc2cc3c(cn2)CCCC3)cc(Cl)c1[O-] ZINC000428594989 1029737424 /nfs/dbraw/zinc/73/74/24/1029737424.db2.gz FILNIZCEWSKOOO-UHFFFAOYSA-N -1 1 332.787 3.580 20 0 EHADMM CCC[C@@]1(COC)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000446696889 1029759466 /nfs/dbraw/zinc/75/94/66/1029759466.db2.gz OANMTBYODWQLLL-INIZCTEOSA-N -1 1 345.361 3.832 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000899961921 1029977405 /nfs/dbraw/zinc/97/74/05/1029977405.db2.gz DAHPPSCGDABUSB-UHFFFAOYSA-N -1 1 326.396 3.562 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000447272252 1030057518 /nfs/dbraw/zinc/05/75/18/1030057518.db2.gz VKDXQFBVJAQXAL-UHFFFAOYSA-N -1 1 331.437 3.901 20 0 EHADMM COc1cc(C)cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1C ZINC000447271437 1030059547 /nfs/dbraw/zinc/05/95/47/1030059547.db2.gz QZRDJIQSEZRIRQ-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1c(F)cccc1Cl ZINC000476545618 1030146625 /nfs/dbraw/zinc/14/66/25/1030146625.db2.gz LJEPBFRQUOWDKR-UHFFFAOYSA-N -1 1 339.819 3.533 20 0 EHADMM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC001211594442 1030497468 /nfs/dbraw/zinc/49/74/68/1030497468.db2.gz GSOMBXKAUOAQDA-RYUDHWBXSA-N -1 1 348.871 3.757 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCc2nc3cc(F)ccc3o2)[n-]1 ZINC000122546272 1030674383 /nfs/dbraw/zinc/67/43/83/1030674383.db2.gz AEDYBKICNZIMQH-UHFFFAOYSA-N -1 1 345.277 3.774 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(COc2ccccc2)CC1 ZINC000194212966 1030693011 /nfs/dbraw/zinc/69/30/11/1030693011.db2.gz AWUOBKLWUSLGRF-UHFFFAOYSA-N -1 1 345.826 3.977 20 0 EHADMM Cc1cccnc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000194568880 1030888097 /nfs/dbraw/zinc/88/80/97/1030888097.db2.gz IFUCESHPCHLJTB-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM O=C(c1csc(=NC2CC2)[nH]1)N1CCC[C@H]1c1ccccc1Cl ZINC000476873847 1031045560 /nfs/dbraw/zinc/04/55/60/1031045560.db2.gz OIDNNZTZVGXKOO-HNNXBMFYSA-N -1 1 347.871 3.770 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@H]1c1ccccc1Cl ZINC000476873847 1031045577 /nfs/dbraw/zinc/04/55/77/1031045577.db2.gz OIDNNZTZVGXKOO-HNNXBMFYSA-N -1 1 347.871 3.770 20 0 EHADMM CC(C)Cc1ncc(CN[C@@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000904045645 1031664195 /nfs/dbraw/zinc/66/41/95/1031664195.db2.gz LBLULZQMHNQGQR-HNNXBMFYSA-N -1 1 336.432 3.786 20 0 EHADMM C/C(=C\c1ccccc1C(F)(F)F)CNCc1cc(C(=O)[O-])no1 ZINC000904053977 1031677977 /nfs/dbraw/zinc/67/79/77/1031677977.db2.gz FUTXFFIBZALZIX-UXBLZVDNSA-N -1 1 340.301 3.585 20 0 EHADMM Cc1cc(CN[C@@H](C(=O)[O-])c2csc(Br)c2)cs1 ZINC000904071970 1031701069 /nfs/dbraw/zinc/70/10/69/1031701069.db2.gz OKJWRMPOZCEGKH-LLVKDONJSA-N -1 1 346.271 3.796 20 0 EHADMM CCC[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cccc(Cl)c1 ZINC000528137858 1031761541 /nfs/dbraw/zinc/76/15/41/1031761541.db2.gz GYQUNTKQRNCCRN-JTQLQIEISA-N -1 1 346.740 3.999 20 0 EHADMM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc([O-])cc1F ZINC000163813623 1031942241 /nfs/dbraw/zinc/94/22/41/1031942241.db2.gz SWBYZWWPPGOURM-SNVBAGLBSA-N -1 1 341.304 3.911 20 0 EHADMM C[C@@H](CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccccc1 ZINC000195012347 1031958832 /nfs/dbraw/zinc/95/88/32/1031958832.db2.gz OAEVXKRZMGUEPW-ZDUSSCGKSA-N -1 1 330.453 3.960 20 0 EHADMM CC[C@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)CCS1 ZINC000173511044 1033385891 /nfs/dbraw/zinc/38/58/91/1033385891.db2.gz FYCLHQPVISNTHY-AWEZNQCLSA-N -1 1 340.562 3.848 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2ccc(Br)cc2[O-])cc1 ZINC000044490528 1033496509 /nfs/dbraw/zinc/49/65/09/1033496509.db2.gz NKBQDLQRRMJVOO-UHFFFAOYSA-N -1 1 334.213 3.735 20 0 EHADMM Cc1cccc(CN(C)C(=O)c2ccc(Br)cc2[O-])c1 ZINC000044490871 1033497631 /nfs/dbraw/zinc/49/76/31/1033497631.db2.gz YHSGRVTVWITEPH-UHFFFAOYSA-N -1 1 334.213 3.735 20 0 EHADMM CSc1nc(C)c(CCC(=O)OCC2(C)CCCCC2)c(=O)[n-]1 ZINC000761299228 1033568222 /nfs/dbraw/zinc/56/82/22/1033568222.db2.gz GJKYCARJRJPOJM-UHFFFAOYSA-N -1 1 338.473 3.659 20 0 EHADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2)o1 ZINC000045712798 1033669688 /nfs/dbraw/zinc/66/96/88/1033669688.db2.gz DAYKPIDGMMSLPF-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM [O-]c1c(Br)cccc1CNc1cccc(-c2nc[nH]n2)c1 ZINC000168757801 1033842238 /nfs/dbraw/zinc/84/22/38/1033842238.db2.gz DGDKEQPGGCOTAX-UHFFFAOYSA-N -1 1 345.200 3.552 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H]3COc4ccccc4O3)n2)c(Cl)c1 ZINC000445445567 1033889445 /nfs/dbraw/zinc/88/94/45/1033889445.db2.gz ABVCDHRKAVSHFL-AWEZNQCLSA-N -1 1 330.727 3.608 20 0 EHADMM CC(C)c1n[n-]c(=NC[C@H](c2cccc(Cl)c2)N2CCCC2)o1 ZINC000450255921 1033976572 /nfs/dbraw/zinc/97/65/72/1033976572.db2.gz DPJDFTOSVVGLQZ-OAHLLOKOSA-N -1 1 334.851 3.517 20 0 EHADMM COc1cc(C)c([C@H](C)N=c2[n-]c(C(C)=O)c(C)s2)cc1OC ZINC000450258334 1033978931 /nfs/dbraw/zinc/97/89/31/1033978931.db2.gz QBHVQJKEKCRCNQ-JTQLQIEISA-N -1 1 334.441 3.575 20 0 EHADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000055640478 1033993279 /nfs/dbraw/zinc/99/32/79/1033993279.db2.gz ATBCNVMGBRSBSD-UHFFFAOYSA-N -1 1 349.452 3.636 20 0 EHADMM COc1cc(Br)c(/C=C/C(=O)c2ccc([O-])cc2)cc1O ZINC000007718027 1034333557 /nfs/dbraw/zinc/33/35/57/1034333557.db2.gz WZZWUSPBVVSOAC-QPJJXVBHSA-N -1 1 349.180 3.765 20 0 EHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3cc(F)c(F)cc3F)c2)c1 ZINC000604413436 1034369545 /nfs/dbraw/zinc/36/95/45/1034369545.db2.gz VAXIPIDXYSOTEP-UHFFFAOYSA-N -1 1 332.281 3.535 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)CC2CC(F)(F)C2)c1 ZINC000450470364 1034384883 /nfs/dbraw/zinc/38/48/83/1034384883.db2.gz UGEJUHDTDGGZEL-UHFFFAOYSA-N -1 1 334.160 3.837 20 0 EHADMM Cc1c(C(=O)Nc2ccc([O-])c(F)c2F)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000456797147 1034720117 /nfs/dbraw/zinc/72/01/17/1034720117.db2.gz ZEZRNBOBHLCFQR-UHFFFAOYSA-N -1 1 348.349 3.714 20 0 EHADMM CC[C@H](C)n1ncc(C(=O)Nc2ccc([O-])c(F)c2F)c1C1CC1 ZINC000456788712 1034734282 /nfs/dbraw/zinc/73/42/82/1034734282.db2.gz SCUPKOARMXSNAD-VIFPVBQESA-N -1 1 335.354 3.968 20 0 EHADMM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456795100 1034738291 /nfs/dbraw/zinc/73/82/91/1034738291.db2.gz SQJVAUJZPXUNEF-LLVKDONJSA-N -1 1 335.350 3.886 20 0 EHADMM CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2ccccc2c1[O-] ZINC000018156465 1034741457 /nfs/dbraw/zinc/74/14/57/1034741457.db2.gz XQAQKXISZASKIJ-UHFFFAOYSA-N -1 1 335.359 3.546 20 0 EHADMM C[C@@H](CS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F)c1ccccc1 ZINC000431645624 1034757621 /nfs/dbraw/zinc/75/76/21/1034757621.db2.gz YUJMLOQHSDRRRY-BBRMVZONSA-N -1 1 339.407 3.716 20 0 EHADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(F)c3)cc(Cl)c2O1 ZINC000605492077 1034768082 /nfs/dbraw/zinc/76/80/82/1034768082.db2.gz ARYIQPYIBFZONO-SECBINFHSA-N -1 1 341.791 3.603 20 0 EHADMM Cc1oc([C@H](C)N2CCC[C@H](c3noc(C(C)C)n3)C2)cc1C(=O)[O-] ZINC000515067287 1034806831 /nfs/dbraw/zinc/80/68/31/1034806831.db2.gz BMXQZMQCBHHYGU-AAEUAGOBSA-N -1 1 347.415 3.733 20 0 EHADMM CC(C)(CC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)C1CC1 ZINC000450839265 1034869257 /nfs/dbraw/zinc/86/92/57/1034869257.db2.gz RILCFNJCMHHSAL-UHFFFAOYSA-N -1 1 334.363 3.689 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])[C@@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000530005778 1034872581 /nfs/dbraw/zinc/87/25/81/1034872581.db2.gz NZBBGDKDYAWDMI-GOSISDBHSA-N -1 1 349.789 3.773 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H](C)[C@H]2CCCO2)c1 ZINC000613304284 1035524796 /nfs/dbraw/zinc/52/47/96/1035524796.db2.gz FZOLCBPQBIHHHG-GXFFZTMASA-N -1 1 342.233 3.607 20 0 EHADMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3c(F)ccc([O-])c3F)C2)c1 ZINC000456923621 1035550201 /nfs/dbraw/zinc/55/02/01/1035550201.db2.gz NVEQJTOLAPUAFP-JOCQHMNTSA-N -1 1 347.361 3.697 20 0 EHADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000173522330 1035642415 /nfs/dbraw/zinc/64/24/15/1035642415.db2.gz BZOVNUVYKNNPJZ-GTNSWQLSSA-N -1 1 349.789 3.787 20 0 EHADMM O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C(=O)c1ccc([O-])cc1 ZINC000457067239 1035677544 /nfs/dbraw/zinc/67/75/44/1035677544.db2.gz HDPGAVGGEJYNHZ-GDBMZVCRSA-N -1 1 343.810 3.681 20 0 EHADMM CCOc1cc(C(=O)N[C@H](C)c2nc(C)cs2)cc(Cl)c1[O-] ZINC000186774994 1035712694 /nfs/dbraw/zinc/71/26/94/1035712694.db2.gz IIRVALDKRDFBBF-SECBINFHSA-N -1 1 340.832 3.700 20 0 EHADMM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1c(F)cccc1Cl ZINC000463670146 1035729082 /nfs/dbraw/zinc/72/90/82/1035729082.db2.gz POYAAOCMLJEDDZ-CQSZACIVSA-N -1 1 343.782 3.584 20 0 EHADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1coc(C2CCCCC2)n1 ZINC000636358905 1035863900 /nfs/dbraw/zinc/86/39/00/1035863900.db2.gz NZCXHBVLFOEOGS-GFCCVEGCSA-N -1 1 348.428 3.678 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC(CC(F)(F)F)C1 ZINC000669955318 1036001927 /nfs/dbraw/zinc/00/19/27/1036001927.db2.gz MKCRHEUQMAYDED-UHFFFAOYSA-N -1 1 344.720 3.618 20 0 EHADMM CCC[C@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000032064882 1036011892 /nfs/dbraw/zinc/01/18/92/1036011892.db2.gz SVBCWTPFYFKUNR-AWEZNQCLSA-N -1 1 346.500 3.953 20 0 EHADMM CCOc1cc([N-]S(=O)(=O)c2ccc(SC)cc2)ccc1C ZINC000589440030 1036414665 /nfs/dbraw/zinc/41/46/65/1036414665.db2.gz SDYGOWGLYJIMCV-UHFFFAOYSA-N -1 1 337.466 3.916 20 0 EHADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C1 ZINC000541587352 1036486196 /nfs/dbraw/zinc/48/61/96/1036486196.db2.gz CRBAAEFGGFCNHS-UHFFFAOYSA-N -1 1 344.480 3.912 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C[C@H]1C ZINC000648490547 1036965769 /nfs/dbraw/zinc/96/57/69/1036965769.db2.gz LYKQWKSPFDWZQO-IIDMSEBBSA-N -1 1 343.467 3.886 20 0 EHADMM CC(C)(C)c1csc(CCNC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000303199258 1037202744 /nfs/dbraw/zinc/20/27/44/1037202744.db2.gz HCFXGOJBMYCXOR-UHFFFAOYSA-N -1 1 338.860 3.772 20 0 EHADMM Cc1cccc(C(C)(C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000605588204 1037239764 /nfs/dbraw/zinc/23/97/64/1037239764.db2.gz HGPPMLMUIOLTFW-UHFFFAOYSA-N -1 1 343.370 3.626 20 0 EHADMM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000493309667 1037245035 /nfs/dbraw/zinc/24/50/35/1037245035.db2.gz GJKWQCVNGPKTPA-ZDUSSCGKSA-N -1 1 329.469 3.589 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(C2CC2)nc2ccccc21 ZINC000171024648 1037424630 /nfs/dbraw/zinc/42/46/30/1037424630.db2.gz FJSZBKCLABBPDA-UHFFFAOYSA-N -1 1 347.300 3.501 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])c1cnc(Oc2ccccc2)cn1 ZINC000540200237 1037676269 /nfs/dbraw/zinc/67/62/69/1037676269.db2.gz NOBLMKISXNPROJ-UHFFFAOYSA-N -1 1 341.754 3.880 20 0 EHADMM O=S(=O)(CCC1CC1)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000494142956 1037866012 /nfs/dbraw/zinc/86/60/12/1037866012.db2.gz YDGVLHJSDQOXNH-UHFFFAOYSA-N -1 1 327.755 3.901 20 0 EHADMM CC(=O)c1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655902 1037879198 /nfs/dbraw/zinc/87/91/98/1037879198.db2.gz BLLNCPALDCYTBP-UHFFFAOYSA-N -1 1 334.169 3.610 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(F)cc2F)c1 ZINC000182933041 1037922661 /nfs/dbraw/zinc/92/26/61/1037922661.db2.gz PXVXNBWGTTZVNE-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM O=C(NC1CCC(O)(c2ccccc2)CC1)c1c([O-])cccc1Cl ZINC000760996856 1038126848 /nfs/dbraw/zinc/12/68/48/1038126848.db2.gz ZUDISKKIBIXEBB-UHFFFAOYSA-N -1 1 345.826 3.606 20 0 EHADMM O=C(CCC1CCCC1)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000461407077 1038406137 /nfs/dbraw/zinc/40/61/37/1038406137.db2.gz NWFMVXVLTWEVNF-UHFFFAOYSA-N -1 1 334.363 3.833 20 0 EHADMM Cc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)co1 ZINC000552022363 1038454271 /nfs/dbraw/zinc/45/42/71/1038454271.db2.gz GPYFJLMALQYJBS-UHFFFAOYSA-N -1 1 330.565 3.962 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H](C)n2cccc2)c1 ZINC000538700071 1038475956 /nfs/dbraw/zinc/47/59/56/1038475956.db2.gz FSGCUZWZVHSDLZ-NSHDSACASA-N -1 1 337.217 3.854 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1c1cccnc1 ZINC000378462652 1038638503 /nfs/dbraw/zinc/63/85/03/1038638503.db2.gz YULKUCHXOGXFEW-CQSZACIVSA-N -1 1 336.313 3.783 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCC(F)CC1 ZINC000660035098 1038754006 /nfs/dbraw/zinc/75/40/06/1038754006.db2.gz RVTCIBSMVTVOSY-IDKOKCKLSA-N -1 1 325.858 3.597 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)sc1Cl ZINC000416588290 1038809812 /nfs/dbraw/zinc/80/98/12/1038809812.db2.gz AOOQUTKUEKPMQZ-ZCFIWIBFSA-N -1 1 335.800 3.577 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000195451920 1038967885 /nfs/dbraw/zinc/96/78/85/1038967885.db2.gz OCDYJDHWVZWVHN-UHFFFAOYSA-N -1 1 325.336 3.628 20 0 EHADMM Cc1ccc(CN2CCC(C(=O)[O-])(C(F)(F)F)CC2)cc1Cl ZINC000905739531 1039075340 /nfs/dbraw/zinc/07/53/40/1039075340.db2.gz UAYIXKDFDWRXIL-UHFFFAOYSA-N -1 1 335.753 3.878 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CC=C(c2ccccc2)C1 ZINC000436874234 1039112585 /nfs/dbraw/zinc/11/25/85/1039112585.db2.gz UUGOHNSMABIDFD-UHFFFAOYSA-N -1 1 344.208 3.694 20 0 EHADMM O=C(CSC1CC1)Nc1c([O-])cc(Br)cc1Cl ZINC000584612136 1039353991 /nfs/dbraw/zinc/35/39/91/1039353991.db2.gz LGGBNLCBVFJMDE-UHFFFAOYSA-N -1 1 336.638 3.642 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)c(Br)c1 ZINC000028246469 1039379544 /nfs/dbraw/zinc/37/95/44/1039379544.db2.gz JMXANLINOAFPHF-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM Cc1cccc2nc(CN3CCC(c4ccccc4C(=O)[O-])CC3)cn21 ZINC000364033846 1039455413 /nfs/dbraw/zinc/45/54/13/1039455413.db2.gz GPKLLPJUGBCXBB-UHFFFAOYSA-N -1 1 349.434 3.721 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2cc(Cl)ccc2C)c1 ZINC000554623576 1039538016 /nfs/dbraw/zinc/53/80/16/1039538016.db2.gz BXUQTHYFEIMPGF-UHFFFAOYSA-N -1 1 332.787 3.589 20 0 EHADMM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cncc([O-])c1 ZINC000109042389 1039606393 /nfs/dbraw/zinc/60/63/93/1039606393.db2.gz SQCJRZXNLKMECX-VIFPVBQESA-N -1 1 325.195 3.927 20 0 EHADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccccc1OC(F)F ZINC000549720950 1039723437 /nfs/dbraw/zinc/72/34/37/1039723437.db2.gz AVIGGXRZRSZTMT-UHFFFAOYSA-N -1 1 347.770 3.883 20 0 EHADMM CC(C)(C)OC[C@H](NCc1cc(-c2ccccc2)cs1)C(=O)[O-] ZINC000417598637 1040053673 /nfs/dbraw/zinc/05/36/73/1040053673.db2.gz NSZPHYDTLFRCHJ-INIZCTEOSA-N -1 1 333.453 3.773 20 0 EHADMM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1cnc(C2CC2)[n-]c1=O ZINC000907723946 1040146045 /nfs/dbraw/zinc/14/60/45/1040146045.db2.gz GRQRWLZNTCLFOU-CVEARBPZSA-N -1 1 337.423 3.516 20 0 EHADMM COc1cccc(CNCc2ccc(C(=O)[O-])c(C)c2)c1OC(C)C ZINC000417674298 1040151709 /nfs/dbraw/zinc/15/17/09/1040151709.db2.gz YRDDJVOWZRNDGO-UHFFFAOYSA-N -1 1 343.423 3.779 20 0 EHADMM O=S(=O)([N-]CC[C@@H]1CCC(F)(F)C1)c1cc2ccccc2o1 ZINC000908064605 1040281968 /nfs/dbraw/zinc/28/19/68/1040281968.db2.gz FJSIOAJMCCSTJW-NSHDSACASA-N -1 1 329.368 3.537 20 0 EHADMM O=S(=O)([N-]CC[C@@H]1CCC(F)(F)C1)c1sccc1Cl ZINC000908066999 1040285833 /nfs/dbraw/zinc/28/58/33/1040285833.db2.gz DPVPXJODPCGOIU-QMMMGPOBSA-N -1 1 329.821 3.505 20 0 EHADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378239 1040423995 /nfs/dbraw/zinc/42/39/95/1040423995.db2.gz CNYVUFMOSQXMRH-YOEHRIQHSA-N -1 1 343.427 3.502 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)C1(C(F)(F)F)CCC1 ZINC000908706537 1040602875 /nfs/dbraw/zinc/60/28/75/1040602875.db2.gz DHEPRMVYKMCABQ-UHFFFAOYSA-N -1 1 338.123 3.826 20 0 EHADMM O=C(C[C@@H]1CCC2(CCC2)O1)Nc1cccc([O-])c1Br ZINC000908716966 1040610681 /nfs/dbraw/zinc/61/06/81/1040610681.db2.gz CRCVJVIDHVDOHX-JTQLQIEISA-N -1 1 340.217 3.585 20 0 EHADMM CCCOc1cccc(F)c1Nc1nc[n-]c(=O)c1Br ZINC001211785482 1040879938 /nfs/dbraw/zinc/87/99/38/1040879938.db2.gz BYBANQOLFOLGSZ-UHFFFAOYSA-N -1 1 342.168 3.616 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc21 ZINC000500297611 1040971606 /nfs/dbraw/zinc/97/16/06/1040971606.db2.gz NPKRFUXVAXICKW-UHFFFAOYSA-N -1 1 349.843 3.819 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000500316763 1041036614 /nfs/dbraw/zinc/03/66/14/1041036614.db2.gz ONNFJOFZCYZQIW-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(C2CCOCC2)cc1 ZINC000909971635 1041084731 /nfs/dbraw/zinc/08/47/31/1041084731.db2.gz GXJVMMLJIILNBF-UHFFFAOYSA-N -1 1 333.334 3.817 20 0 EHADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(Br)c([O-])c1 ZINC000487787553 1041097534 /nfs/dbraw/zinc/09/75/34/1041097534.db2.gz DLWHGOQCRUDDRO-GMXVVIOVSA-N -1 1 338.245 3.853 20 0 EHADMM CCOc1ccc(C[C@H](C)C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC000909988012 1041121870 /nfs/dbraw/zinc/12/18/70/1041121870.db2.gz QXULBJZKRFJVQC-NSHDSACASA-N -1 1 335.350 3.886 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2cncn2Cc2ccccc2)[n-]1 ZINC000555865573 1041247288 /nfs/dbraw/zinc/24/72/88/1041247288.db2.gz SYYNAQQJMHOPBC-UHFFFAOYSA-N -1 1 338.436 3.597 20 0 EHADMM CCOC(=O)[C@H](Sc1ncc(C)c(=O)[n-]1)c1cccc(Cl)c1 ZINC000571344695 1041273034 /nfs/dbraw/zinc/27/30/34/1041273034.db2.gz JBSHFQICXJDTMS-GFCCVEGCSA-N -1 1 338.816 3.541 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1 ZINC000194864089 1041340717 /nfs/dbraw/zinc/34/07/17/1041340717.db2.gz YPTRPVATCLUTSB-UHFFFAOYSA-N -1 1 346.433 3.864 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1Cc2ccccc2[C@@H]1C ZINC000408180720 1042159746 /nfs/dbraw/zinc/15/97/46/1042159746.db2.gz VEPNSVVMEJRAPE-LBPRGKRZSA-N -1 1 325.412 3.505 20 0 EHADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613862647 1042439536 /nfs/dbraw/zinc/43/95/36/1042439536.db2.gz UDWBVLQNDADARK-GFCCVEGCSA-N -1 1 338.329 3.743 20 0 EHADMM CC[C@@H]1CO[C@@H](CC)CN1Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000652438114 1042477019 /nfs/dbraw/zinc/47/70/19/1042477019.db2.gz XNKGZSFBNMZMJW-CABCVRRESA-N -1 1 342.439 3.631 20 0 EHADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])sc1Br ZINC001183209741 1133782941 /nfs/dbraw/zinc/78/29/41/1133782941.db2.gz KZRKUAKOJWTGBO-UHFFFAOYSA-N -1 1 347.621 3.825 20 0 EHADMM Cc1cc2nnc(SCC(=O)c3ccc([O-])cc3)n2c2ccccc12 ZINC000007200478 1042872498 /nfs/dbraw/zinc/87/24/98/1042872498.db2.gz WBHDFUMTKMLOBG-UHFFFAOYSA-N -1 1 349.415 3.872 20 0 EHADMM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668656 1042994632 /nfs/dbraw/zinc/99/46/32/1042994632.db2.gz WVJLGNNPIMTTQI-UHFFFAOYSA-N -1 1 332.743 3.783 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000006315941 1043173227 /nfs/dbraw/zinc/17/32/27/1043173227.db2.gz JAVDOGQDXUMFRI-UHFFFAOYSA-N -1 1 325.389 3.843 20 0 EHADMM CC(C)(C)n1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC000436762476 1043875838 /nfs/dbraw/zinc/87/58/38/1043875838.db2.gz FDQGFISRSHVXSE-UHFFFAOYSA-N -1 1 327.306 3.615 20 0 EHADMM CCn1nccc1C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000279602341 1044275015 /nfs/dbraw/zinc/27/50/15/1044275015.db2.gz VZWCLZQEXPFXRY-UHFFFAOYSA-N -1 1 349.434 3.782 20 0 EHADMM O=S(=O)([N-]CCC1(F)CCC1)c1cc(Cl)sc1Cl ZINC000344911701 1044676430 /nfs/dbraw/zinc/67/64/30/1044676430.db2.gz FLJNNWJZIHVVPY-UHFFFAOYSA-N -1 1 332.249 3.616 20 0 EHADMM COc1cc(C(=O)NCc2cc3ccccc3o2)cc(Cl)c1[O-] ZINC000153589981 1125634986 /nfs/dbraw/zinc/63/49/86/1125634986.db2.gz OAQGXJLYALZUMJ-UHFFFAOYSA-N -1 1 331.755 3.730 20 0 EHADMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2C1 ZINC000171345731 1126762497 /nfs/dbraw/zinc/76/24/97/1126762497.db2.gz FQDGZHNAQVWDEJ-UHFFFAOYSA-N -1 1 330.453 3.603 20 0 EHADMM Cc1cscc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000343099424 1126874246 /nfs/dbraw/zinc/87/42/46/1126874246.db2.gz VDRMRMRUGMSBKG-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1noc2c1COCC2 ZINC000623190305 1126893523 /nfs/dbraw/zinc/89/35/23/1126893523.db2.gz IMNPYLXWTHQQKE-UHFFFAOYSA-N -1 1 338.816 3.765 20 0 EHADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1 ZINC000179734971 1127084583 /nfs/dbraw/zinc/08/45/83/1127084583.db2.gz PNZBREINTZQXBR-UHFFFAOYSA-N -1 1 348.449 3.884 20 0 EHADMM O=C(CCCc1ccc2ccccc2c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000179949368 1127102692 /nfs/dbraw/zinc/10/26/92/1127102692.db2.gz YYFGZCGMUAXZLS-UHFFFAOYSA-N -1 1 348.328 3.938 20 0 EHADMM CCOc1cc(-c2nc(-c3ccncc3OC)no2)cc(Cl)c1[O-] ZINC000350934632 1127120952 /nfs/dbraw/zinc/12/09/52/1127120952.db2.gz VGSNNADJLQXHNF-UHFFFAOYSA-N -1 1 347.758 3.565 20 0 EHADMM CCOC(=O)c1cc(NC(=O)c2sc3ccc(F)cc3c2C)n[nH]1 ZINC000180938345 1127192417 /nfs/dbraw/zinc/19/24/17/1127192417.db2.gz UVQYIWMEDVVNOF-UHFFFAOYSA-N -1 1 347.371 3.501 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc3n[nH]cc3c2)cc(Cl)c1[O-] ZINC000193053888 1127432610 /nfs/dbraw/zinc/43/26/10/1127432610.db2.gz XPSZIHMOGBLJFS-UHFFFAOYSA-N -1 1 331.759 3.573 20 0 EHADMM CCN(Cc1c(F)cccc1F)C(=O)c1c([O-])cccc1Cl ZINC000764103758 1127443118 /nfs/dbraw/zinc/44/31/18/1127443118.db2.gz YJTHGIRPERVBNX-UHFFFAOYSA-N -1 1 325.742 3.986 20 0 EHADMM CC(C)[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000171966060 1127640300 /nfs/dbraw/zinc/64/03/00/1127640300.db2.gz VFOYIEPMLQCAGD-AWEZNQCLSA-N -1 1 346.452 3.718 20 0 EHADMM CN(CCOc1ccccc1F)C(=O)c1cc2ccccc2cc1[O-] ZINC000024213977 1127703742 /nfs/dbraw/zinc/70/37/42/1127703742.db2.gz UTTSIPWEAPBXNX-UHFFFAOYSA-N -1 1 339.366 3.836 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1C ZINC000060554314 1128107128 /nfs/dbraw/zinc/10/71/28/1128107128.db2.gz KTPKMQAWCLGNKG-UHFFFAOYSA-N -1 1 345.449 3.623 20 0 EHADMM CN(CCCC(=O)OC(C)(C)C)C(=O)c1cc2ccccc2cc1[O-] ZINC000067180714 1128236772 /nfs/dbraw/zinc/23/67/72/1128236772.db2.gz RCSAOYMEIDSUCF-UHFFFAOYSA-N -1 1 343.423 3.739 20 0 EHADMM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001212404413 1128452764 /nfs/dbraw/zinc/45/27/64/1128452764.db2.gz BTJNXTPBNIODKJ-WCQYABFASA-N -1 1 325.405 3.675 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1F ZINC000055682229 1128526787 /nfs/dbraw/zinc/52/67/87/1128526787.db2.gz IZXPUCLLRBSJJG-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)c(C)c1 ZINC000007060366 1128847284 /nfs/dbraw/zinc/84/72/84/1128847284.db2.gz LRROQTGSELUZOK-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000075408509 1128858409 /nfs/dbraw/zinc/85/84/09/1128858409.db2.gz UAQUFFCWBJRKOD-UHFFFAOYSA-N -1 1 344.436 3.889 20 0 EHADMM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1c(Cl)cccc1Cl ZINC000510558056 1120142989 /nfs/dbraw/zinc/14/29/89/1120142989.db2.gz IFEQYUOANLEGRK-UHFFFAOYSA-N -1 1 348.173 3.614 20 0 EHADMM Cc1nc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)oc1C ZINC000185049957 1120397668 /nfs/dbraw/zinc/39/76/68/1120397668.db2.gz CIJVPMZYBHOFCP-UHFFFAOYSA-N -1 1 327.409 3.642 20 0 EHADMM COc1cc(F)ccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000220144045 1120467747 /nfs/dbraw/zinc/46/77/47/1120467747.db2.gz JBFJKPYHHQHYKP-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000194690226 1120855019 /nfs/dbraw/zinc/85/50/19/1120855019.db2.gz DCQSHHAWHVXBEC-UHFFFAOYSA-N -1 1 335.816 3.510 20 0 EHADMM CS[C@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000227355356 1120877460 /nfs/dbraw/zinc/87/74/60/1120877460.db2.gz PHMURVKOMLEAHR-QWRGUYRKSA-N -1 1 344.274 3.559 20 0 EHADMM CC(=O)c1cc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cs1 ZINC001127321467 1121000090 /nfs/dbraw/zinc/00/00/90/1121000090.db2.gz LAUFZFJMVNJIDI-UHFFFAOYSA-N -1 1 341.310 3.823 20 0 EHADMM CC(C)Cc1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000495433717 1121197142 /nfs/dbraw/zinc/19/71/42/1121197142.db2.gz JCEKGDUEHONKDI-UHFFFAOYSA-N -1 1 333.388 3.988 20 0 EHADMM O=S(=O)([N-]C1(C(F)F)CCCC1)c1cscc1C(F)F ZINC000915708546 1121598888 /nfs/dbraw/zinc/59/88/88/1121598888.db2.gz UNSJFQZQTBMEFQ-UHFFFAOYSA-N -1 1 331.356 3.542 20 0 EHADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000055638784 1121848765 /nfs/dbraw/zinc/84/87/65/1121848765.db2.gz PGKPFDKHHLRZBN-UHFFFAOYSA-N -1 1 332.425 3.534 20 0 EHADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000496219334 1122014996 /nfs/dbraw/zinc/01/49/96/1122014996.db2.gz XTMQDHXINAPWBH-GFCCVEGCSA-N -1 1 348.443 4.000 20 0 EHADMM CCOC(=O)CCCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000917380030 1122589469 /nfs/dbraw/zinc/58/94/69/1122589469.db2.gz YKZYXBNCTNZEIC-UHFFFAOYSA-N -1 1 343.423 3.789 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCc2ccc(F)cc2C1 ZINC000670419543 1122710525 /nfs/dbraw/zinc/71/05/25/1122710525.db2.gz CHZXQEDZURCZEJ-UHFFFAOYSA-N -1 1 339.288 3.749 20 0 EHADMM CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2ccccc2c1[O-] ZINC000131241054 1123064229 /nfs/dbraw/zinc/06/42/29/1123064229.db2.gz HVZDRWRYZWFMJA-UHFFFAOYSA-N -1 1 345.402 3.704 20 0 EHADMM O=C(Cc1ccco1)Nc1c([O-])cc(Br)cc1Cl ZINC000556850793 1123149489 /nfs/dbraw/zinc/14/94/89/1123149489.db2.gz IFPDTSVJBFGNEA-UHFFFAOYSA-N -1 1 330.565 3.582 20 0 EHADMM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccc(O)cc1[O-] ZINC000920005250 1123261776 /nfs/dbraw/zinc/26/17/76/1123261776.db2.gz BPVZISFEZWHXQI-UHFFFAOYSA-N -1 1 349.390 3.550 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1C ZINC000132734501 1123294771 /nfs/dbraw/zinc/29/47/71/1123294771.db2.gz IMCSAOHLISGQGA-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc2n[nH]cc21 ZINC000499281612 1123331644 /nfs/dbraw/zinc/33/16/44/1123331644.db2.gz BMKCKBLTAQLQGL-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1c([O-])cccc1Cl ZINC000920464695 1123372152 /nfs/dbraw/zinc/37/21/52/1123372152.db2.gz QTMHAOATYKZXOS-KSSFIOAISA-N -1 1 345.826 3.943 20 0 EHADMM O=C(NCCOc1ccc(Cl)cc1)c1c([O-])cccc1Cl ZINC000920431273 1123372475 /nfs/dbraw/zinc/37/24/75/1123372475.db2.gz UGBDNTANUKOLPA-UHFFFAOYSA-N -1 1 326.179 3.508 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C)c(C)s1 ZINC000920756840 1123421120 /nfs/dbraw/zinc/42/11/20/1123421120.db2.gz CUQOZLVVPLGPTE-UHFFFAOYSA-N -1 1 336.482 3.548 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2cnc(C(C)(C)C)s2)[n-]c1=O ZINC000347482833 1123593293 /nfs/dbraw/zinc/59/32/93/1123593293.db2.gz LPEOQNZMOCSHGD-YFHOEESVSA-N -1 1 347.440 3.673 20 0 EHADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C)cc3C)c2C)o1 ZINC000135402847 1123608928 /nfs/dbraw/zinc/60/89/28/1123608928.db2.gz YWBJNERDFSNWHV-UHFFFAOYSA-N -1 1 345.424 3.704 20 0 EHADMM CC(=O)c1ncc(C(=O)[N-]c2ccccc2SC(F)F)s1 ZINC001124075329 1123681489 /nfs/dbraw/zinc/68/14/89/1123681489.db2.gz GTQOOKSKQKGMMJ-UHFFFAOYSA-N -1 1 328.365 3.913 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000080326494 1123751783 /nfs/dbraw/zinc/75/17/83/1123751783.db2.gz RJBDUJMAUKIPKD-UHFFFAOYSA-N -1 1 346.383 3.954 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)sc1Cl ZINC000499644759 1129142907 /nfs/dbraw/zinc/14/29/07/1129142907.db2.gz GFMMYKWZWUUHAC-SECBINFHSA-N -1 1 343.848 3.814 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000615375898 1123787925 /nfs/dbraw/zinc/78/79/25/1123787925.db2.gz PRBDHZHCYHJZEQ-CYBMUJFWSA-N -1 1 329.421 3.870 20 0 EHADMM O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1ccc([O-])cc1F ZINC000616883566 1124050765 /nfs/dbraw/zinc/05/07/65/1124050765.db2.gz LVQURMXLBJBGDO-SFHVURJKSA-N -1 1 343.398 3.555 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)cc1 ZINC000181155707 1124608897 /nfs/dbraw/zinc/60/88/97/1124608897.db2.gz SIAAFGULRJJYRJ-UHFFFAOYSA-N -1 1 336.482 3.584 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)c1cccc(C(C)C)c1 ZINC000080606992 1124650039 /nfs/dbraw/zinc/65/00/39/1124650039.db2.gz MJZWBDCGLFCZHF-UHFFFAOYSA-N -1 1 327.428 3.602 20 0 EHADMM CCc1onc(C)c1[N-]C(=O)c1occc1COc1ccccc1 ZINC000089399744 1124811334 /nfs/dbraw/zinc/81/13/34/1124811334.db2.gz YPQONDDXSPNRPY-UHFFFAOYSA-N -1 1 326.352 3.970 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N2c3ccccc3C(C)(C)[C@H]2C)c1 ZINC000619018138 1125265687 /nfs/dbraw/zinc/26/56/87/1125265687.db2.gz BLZQQWTYTPHJOD-GFCCVEGCSA-N -1 1 338.407 3.677 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000619180640 1125305715 /nfs/dbraw/zinc/30/57/15/1125305715.db2.gz KDEHRCCTJZNJRX-QFBILLFUSA-N -1 1 339.435 3.967 20 0 EHADMM C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619923286 1125428709 /nfs/dbraw/zinc/42/87/09/1125428709.db2.gz MXROPRINYAFQKA-NSHDSACASA-N -1 1 343.345 3.585 20 0 EHADMM CC(C)[C@H](NCc1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000262714116 1125448144 /nfs/dbraw/zinc/44/81/44/1125448144.db2.gz QTUMVIAUXJGHBW-HNNXBMFYSA-N -1 1 330.409 3.755 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cccc(Cl)c1F ZINC000499744949 1129448123 /nfs/dbraw/zinc/44/81/23/1129448123.db2.gz WTQJBWPYARPVSP-VIFPVBQESA-N -1 1 341.782 3.583 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(COC)c2)c1 ZINC000685899072 1129474767 /nfs/dbraw/zinc/47/47/67/1129474767.db2.gz RAKSQDFBBGZKMZ-UHFFFAOYSA-N -1 1 339.844 3.850 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1cccc(Cl)n1 ZINC000765990664 1129551382 /nfs/dbraw/zinc/55/13/82/1129551382.db2.gz VCKMICYQIANNSK-HJWRWDBZSA-N -1 1 329.208 3.801 20 0 EHADMM CCCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H](C)c1ccccc1 ZINC000124144237 1129583901 /nfs/dbraw/zinc/58/39/01/1129583901.db2.gz DVAVUUFJNNWHOW-HNNXBMFYSA-N -1 1 349.434 3.927 20 0 EHADMM O=C([N-]c1ccc(-c2ccco2)cc1F)c1nnc(-c2ccco2)o1 ZINC001626087247 1129681852 /nfs/dbraw/zinc/68/18/52/1129681852.db2.gz KYJCNZCHINZPGZ-UHFFFAOYSA-N -1 1 339.282 3.981 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(SC)c2)[nH]n1 ZINC000509076119 1129725257 /nfs/dbraw/zinc/72/52/57/1129725257.db2.gz XFSZOHPVMAQVPF-LLVKDONJSA-N -1 1 339.486 3.836 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc(Nc2ccccn2)n1 ZINC000509173404 1129911501 /nfs/dbraw/zinc/91/15/01/1129911501.db2.gz QTGSCZFJHPDHFN-UHFFFAOYSA-N -1 1 346.799 3.893 20 0 EHADMM CC(C)n1cc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc2n1 ZINC000134049806 1129977816 /nfs/dbraw/zinc/97/78/16/1129977816.db2.gz TZPPKOFLDPSSIX-UHFFFAOYSA-N -1 1 333.388 3.557 20 0 EHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000171013961 1129997697 /nfs/dbraw/zinc/99/76/97/1129997697.db2.gz NSHVQPSFTGAXSZ-JTQLQIEISA-N -1 1 343.807 3.987 20 0 EHADMM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(F)c1 ZINC000674134029 1130010706 /nfs/dbraw/zinc/01/07/06/1130010706.db2.gz JCESKTLJLAQUDL-UHFFFAOYSA-N -1 1 341.382 3.575 20 0 EHADMM CCOc1cc(Nc2cc3ccc([O-])cc3oc2=O)c(F)cc1F ZINC001212529702 1130259839 /nfs/dbraw/zinc/25/98/39/1130259839.db2.gz OHUVBABDWHXREL-UHFFFAOYSA-N -1 1 333.290 3.919 20 0 EHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(Br)s1 ZINC000675523421 1130421499 /nfs/dbraw/zinc/42/14/99/1130421499.db2.gz 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1131128335 /nfs/dbraw/zinc/12/83/35/1131128335.db2.gz PFPULBLNLYODOG-UHFFFAOYSA-N -1 1 347.330 3.608 20 0 EHADMM Fc1cc(Cl)ccc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212690123 1131900805 /nfs/dbraw/zinc/90/08/05/1131900805.db2.gz YYKFQQGWWMUREA-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Fc1cc(Cl)ccc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212690123 1131900812 /nfs/dbraw/zinc/90/08/12/1131900812.db2.gz YYKFQQGWWMUREA-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C(C)c2ccc(F)cc2)c1 ZINC000744876437 1132162943 /nfs/dbraw/zinc/16/29/43/1132162943.db2.gz WCEDTQWNYQADHA-QBFSEMIESA-N -1 1 342.366 3.923 20 0 EHADMM COC(=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1OC ZINC001174429030 1132351969 /nfs/dbraw/zinc/35/19/69/1132351969.db2.gz HBQKKAJMEGLDBS-UHFFFAOYSA-N -1 1 325.723 3.724 20 0 EHADMM CC(C)(C)OC(=O)N1CCC(=CNc2c([O-])cc(F)cc2F)CC1 ZINC001174848140 1132486652 /nfs/dbraw/zinc/48/66/52/1132486652.db2.gz VRAJYVOEVQPMED-UHFFFAOYSA-N -1 1 340.370 3.997 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(-c3cccnc3)cc2)c1 ZINC001175887131 1132781734 /nfs/dbraw/zinc/78/17/34/1132781734.db2.gz HPEZCMDSYOCEBA-UHFFFAOYSA-N -1 1 340.404 3.601 20 0 EHADMM Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc([O-])cc3F)o2)cc1 ZINC000773567488 1132905814 /nfs/dbraw/zinc/90/58/14/1132905814.db2.gz WGTSPVCUZVBVIJ-LLVKDONJSA-N -1 1 342.326 3.808 20 0 EHADMM Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2ccc([O-])cc2F)n1 ZINC000773572268 1132921373 /nfs/dbraw/zinc/92/13/73/1132921373.db2.gz VZWBBVMMYRDNEW-LLVKDONJSA-N -1 1 342.326 3.808 20 0 EHADMM O=C(OCc1ccc(OCC(F)(F)F)cc1)c1ccc([O-])cc1F ZINC000773579168 1132945211 /nfs/dbraw/zinc/94/52/11/1132945211.db2.gz ZYNDNGMOFHASTJ-UHFFFAOYSA-N -1 1 344.260 3.829 20 0 EHADMM CCOC(=O)c1cnc(Nc2c(F)cc(F)c([O-])c2F)c(Cl)c1 ZINC001176664116 1132978798 /nfs/dbraw/zinc/97/87/98/1132978798.db2.gz KYCRQGYCQBVXAQ-UHFFFAOYSA-N -1 1 346.692 3.778 20 0 EHADMM CC(C)c1ccccc1OCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176988399 1133018286 /nfs/dbraw/zinc/01/82/86/1133018286.db2.gz 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EHADMM Cn1cc(-c2cccc(-c3nc(-c4ccc([O-])cc4F)no3)c2)cn1 ZINC000771209356 1133527546 /nfs/dbraw/zinc/52/75/46/1133527546.db2.gz CPCYNEVIUWOSCK-UHFFFAOYSA-N -1 1 336.326 3.649 20 0 EHADMM [O-]c1c(-c2nc(-c3cccn4ccnc34)no2)ccc2ccccc21 ZINC000771440058 1133558064 /nfs/dbraw/zinc/55/80/64/1133558064.db2.gz CWUUAAFGSLAIJF-UHFFFAOYSA-N -1 1 328.331 3.910 20 0 EHADMM CC[C@H](C(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC000771575456 1133572989 /nfs/dbraw/zinc/57/29/89/1133572989.db2.gz KRJMWBMWRKWMSE-NSHDSACASA-N -1 1 335.201 3.682 20 0 EHADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(-n2ccnc2)cc1 ZINC001183017825 1133761307 /nfs/dbraw/zinc/76/13/07/1133761307.db2.gz ANLWEBJLFAENDM-LBPRGKRZSA-N -1 1 341.798 3.722 20 0 EHADMM O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1cccc(F)c1[O-] ZINC001184225918 1133912189 /nfs/dbraw/zinc/91/21/89/1133912189.db2.gz IGFIRYRVKGRLAP-UHFFFAOYSA-N -1 1 348.337 3.722 20 0 EHADMM C[C@]12C[C@@H]3C[C@](C(=O)Nc4n[n-]c(C(F)(F)F)n4)(C1)C[C@@](C)(C3)C2 ZINC001184495387 1133942053 /nfs/dbraw/zinc/94/20/53/1133942053.db2.gz RQLTZJFPDABAQS-AFLDFDLXSA-N -1 1 342.365 3.759 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OC(F)(F)Cl)cc1 ZINC000787472689 1134012277 /nfs/dbraw/zinc/01/22/77/1134012277.db2.gz DFUFRNZZSWSTPZ-UHFFFAOYSA-N -1 1 331.677 3.952 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC001185186089 1134046641 /nfs/dbraw/zinc/04/66/41/1134046641.db2.gz RISDLHHJQIRRLX-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM O=S(=O)([N-]c1cc(F)nc(F)c1F)c1cc2ccccc2s1 ZINC001185428661 1134084388 /nfs/dbraw/zinc/08/43/88/1134084388.db2.gz CKBPSZAUBRMHCT-UHFFFAOYSA-N -1 1 344.339 3.514 20 0 EHADMM Cc1oncc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1Cl ZINC001187380009 1134329445 /nfs/dbraw/zinc/32/94/45/1134329445.db2.gz SNHHHFYTPHEZCO-UHFFFAOYSA-N -1 1 341.603 3.744 20 0 EHADMM Cc1cc(C(=O)CCC(=O)Nc2nc(Cl)ccc2[O-])c(C)s1 ZINC000789931265 1134346519 /nfs/dbraw/zinc/34/65/19/1134346519.db2.gz FHMKTNXBUAOKBY-UHFFFAOYSA-N -1 1 338.816 3.721 20 0 EHADMM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cncc([O-])c1 ZINC000789903648 1134348065 /nfs/dbraw/zinc/34/80/65/1134348065.db2.gz WWDOAQSGBRDOAM-HXUWFJFHSA-N -1 1 348.402 3.706 20 0 EHADMM CCn1ncc(C(=O)Nc2nc(Cl)ccc2[O-])c1-c1ccccc1 ZINC000790050516 1134365330 /nfs/dbraw/zinc/36/53/30/1134365330.db2.gz CWDHGSPZAZCTNA-UHFFFAOYSA-N -1 1 342.786 3.576 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@@H](C)c1ccccc1 ZINC001187651441 1134368137 /nfs/dbraw/zinc/36/81/37/1134368137.db2.gz YJKBJWKYZMGEFY-VXGBXAGGSA-N -1 1 341.835 3.950 20 0 EHADMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001187874569 1134397375 /nfs/dbraw/zinc/39/73/75/1134397375.db2.gz FSCFTKWQCRXBNU-OCCSQVGLSA-N -1 1 343.445 3.524 20 0 EHADMM CCO[C@H](CCNC(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000746896093 1134403559 /nfs/dbraw/zinc/40/35/59/1134403559.db2.gz LFGSMWOMFOIGPT-OAHLLOKOSA-N -1 1 325.836 3.761 20 0 EHADMM CSc1ccc(NC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001188079991 1134424943 /nfs/dbraw/zinc/42/49/43/1134424943.db2.gz KGHQPCYRHPUXSS-UHFFFAOYSA-N -1 1 340.408 3.944 20 0 EHADMM O=S(=O)([N-]c1ncccc1F)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188423718 1134461574 /nfs/dbraw/zinc/46/15/74/1134461574.db2.gz JWDVTZLLJDFVPJ-UHFFFAOYSA-N -1 1 346.358 3.828 20 0 EHADMM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)CC1CC1 ZINC001188931046 1134521909 /nfs/dbraw/zinc/52/19/09/1134521909.db2.gz URAOCAUVBLVAQY-UHFFFAOYSA-N -1 1 335.450 3.769 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C)ccc3c2)c1 ZINC001189229775 1134554288 /nfs/dbraw/zinc/55/42/88/1134554288.db2.gz VTSUTRACOKTFHQ-UHFFFAOYSA-N -1 1 340.404 3.547 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2ccc(F)c(C3CC3)c2)c(OC)c1 ZINC001190146118 1134660678 /nfs/dbraw/zinc/66/06/78/1134660678.db2.gz UQJDGJCDQVTNNA-UHFFFAOYSA-N -1 1 331.343 3.678 20 0 EHADMM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cccc(Oc2ccccc2)n1 ZINC001191143154 1134810423 /nfs/dbraw/zinc/81/04/23/1134810423.db2.gz ZRQRJCIYSPKJPX-UHFFFAOYSA-N -1 1 346.346 3.708 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3cncnc3c2)cc1 ZINC001191253867 1134824869 /nfs/dbraw/zinc/82/48/69/1134824869.db2.gz QLISJCXXCNAYFR-UHFFFAOYSA-N -1 1 341.436 3.773 20 0 EHADMM Cc1coc2ccc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc12 ZINC000775450031 1134850196 /nfs/dbraw/zinc/85/01/96/1134850196.db2.gz NGRLYBCESDXGMG-UHFFFAOYSA-N -1 1 325.368 3.921 20 0 EHADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191498259 1134883221 /nfs/dbraw/zinc/88/32/21/1134883221.db2.gz SDLJRAWKVHLTFA-HNNXBMFYSA-N -1 1 337.419 3.741 20 0 EHADMM Cc1cccc(NC(=O)c2cc([O-])cc(F)c2F)c1Br ZINC001192665936 1135047501 /nfs/dbraw/zinc/04/75/01/1135047501.db2.gz YLSPOAPLULBKQI-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM C[C@@H](CCCc1ccccc1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759232 1135152023 /nfs/dbraw/zinc/15/20/23/1135152023.db2.gz LMBVPNYKLJRKPV-AWEZNQCLSA-N -1 1 339.439 3.659 20 0 EHADMM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cccc(F)c1F ZINC001129869943 1135179645 /nfs/dbraw/zinc/17/96/45/1135179645.db2.gz OQVDLBBQXLZORT-UHFFFAOYSA-N -1 1 349.337 3.799 20 0 EHADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3N)c2)cs1 ZINC001193886001 1135193562 /nfs/dbraw/zinc/19/35/62/1135193562.db2.gz MQLJHPOLZOLNIP-UHFFFAOYSA-N -1 1 345.449 3.502 20 0 EHADMM Cc1cc(CO)cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193862929 1135197787 /nfs/dbraw/zinc/19/77/87/1135197787.db2.gz PEYKJFZTLZAPSZ-UHFFFAOYSA-N -1 1 341.432 3.750 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])c1ccc(C2CC2)cc1 ZINC001194159531 1135235996 /nfs/dbraw/zinc/23/59/96/1135235996.db2.gz LLJQDIKSSNOMOK-UHFFFAOYSA-N -1 1 333.185 3.679 20 0 EHADMM O=C(Nc1cc(Cl)c(O)cc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000805254984 1135253453 /nfs/dbraw/zinc/25/34/53/1135253453.db2.gz JDUNQMIOXWZAAX-UHFFFAOYSA-N -1 1 334.105 3.935 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC001194606124 1135292330 /nfs/dbraw/zinc/29/23/30/1135292330.db2.gz WLRLCYXDPDHFTC-UHFFFAOYSA-N -1 1 344.358 3.826 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2c(C)cccc2C)cc(C(C)=O)c1 ZINC001194641838 1135295684 /nfs/dbraw/zinc/29/56/84/1135295684.db2.gz AVFBLBUFOXDVSE-UHFFFAOYSA-N -1 1 345.420 3.509 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)c2ccncc12 ZINC001194642987 1135296273 /nfs/dbraw/zinc/29/62/73/1135296273.db2.gz PBQVHJKLDQONPI-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(F)c1N1CCCC1 ZINC001194643345 1135296305 /nfs/dbraw/zinc/29/63/05/1135296305.db2.gz TYAJZQPTFLJFED-UHFFFAOYSA-N -1 1 348.443 3.844 20 0 EHADMM Nc1ccc(-c2ccc(NC(=O)c3c[n-]c(C(F)(F)F)n3)cc2)cc1 ZINC001194782402 1135315062 /nfs/dbraw/zinc/31/50/62/1135315062.db2.gz RHLNZSVWAVZYQN-UHFFFAOYSA-N -1 1 346.312 3.930 20 0 EHADMM CC[C@@H](C)COC(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001194801551 1135322573 /nfs/dbraw/zinc/32/25/73/1135322573.db2.gz XGVCHNCYIUQROO-MRVPVSSYSA-N -1 1 332.194 3.758 20 0 EHADMM CSc1ccccc1[N-]C(=O)c1scnc1Br ZINC000775611815 1135327806 /nfs/dbraw/zinc/32/78/06/1135327806.db2.gz ZTAVNDAAYLTMPS-UHFFFAOYSA-N -1 1 329.244 3.880 20 0 EHADMM CC(=O)Oc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC001195159720 1135384939 /nfs/dbraw/zinc/38/49/39/1135384939.db2.gz TWKHBMCFKNLRNA-UHFFFAOYSA-N -1 1 333.409 3.536 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC001195308133 1135410843 /nfs/dbraw/zinc/41/08/43/1135410843.db2.gz IFHBLBOMQJEKRP-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CC1(C)C(C)(C)C1(C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001195711464 1135459064 /nfs/dbraw/zinc/45/90/64/1135459064.db2.gz CEPWFMMSYBNYBE-UHFFFAOYSA-N -1 1 325.405 3.675 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccnc(F)c1 ZINC000808112369 1135618700 /nfs/dbraw/zinc/61/87/00/1135618700.db2.gz AGRDOELMSHDCEY-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4occc4c3)cc2o1 ZINC001198863286 1135862811 /nfs/dbraw/zinc/86/28/11/1135862811.db2.gz YBMPONVIKPVVHS-UHFFFAOYSA-N -1 1 328.349 3.683 20 0 EHADMM O=S(=O)(Nc1cc([O-])c(Cl)cc1F)c1ccc2occc2c1 ZINC001198863390 1135863057 /nfs/dbraw/zinc/86/30/57/1135863057.db2.gz ZSNJLBJWKLLXBT-UHFFFAOYSA-N -1 1 341.747 3.732 20 0 EHADMM CCCCCCNC(=S)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001200961828 1135969085 /nfs/dbraw/zinc/96/90/85/1135969085.db2.gz GJQVMUDMUNSIQJ-UHFFFAOYSA-N -1 1 332.473 3.753 20 0 EHADMM CCNC(=O)c1cccc(OC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000810561549 1135972756 /nfs/dbraw/zinc/97/27/56/1135972756.db2.gz LGMOBGKOVBDDGA-UHFFFAOYSA-N -1 1 348.811 3.852 20 0 EHADMM CCOc1ncc(Cl)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001201508658 1136030363 /nfs/dbraw/zinc/03/03/63/1136030363.db2.gz JYMCILBEGOCAGW-UHFFFAOYSA-N -1 1 332.743 3.689 20 0 EHADMM O=C(NCC(=O)c1ccc([O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC001202268743 1136116330 /nfs/dbraw/zinc/11/63/30/1136116330.db2.gz HKEYRFUDBLJSMG-UHFFFAOYSA-N -1 1 339.178 3.703 20 0 EHADMM COC(=O)c1nc(-c2cc(Cl)ccc2[O-])ccc1C(F)(F)F ZINC001245049552 1136345384 /nfs/dbraw/zinc/34/53/84/1136345384.db2.gz QUJUJIZBFQBFMZ-UHFFFAOYSA-N -1 1 331.677 3.913 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000747859650 1136345852 /nfs/dbraw/zinc/34/58/52/1136345852.db2.gz VJLTUPMWIKLONG-KHPPLWFESA-N -1 1 338.816 3.546 20 0 EHADMM C[C@H](CN(C(=O)c1c([O-])cccc1Cl)[C@@H](C)CO)c1ccccc1 ZINC000813669758 1136355192 /nfs/dbraw/zinc/35/51/92/1136355192.db2.gz KKFQMOCTWLYAEH-KGLIPLIRSA-N -1 1 347.842 3.672 20 0 EHADMM CSc1nc(C)c(CCC(=O)OCCCC(C)(C)C)c(=O)[n-]1 ZINC000813897604 1136374425 /nfs/dbraw/zinc/37/44/25/1136374425.db2.gz GHZXLKUMNMMXIJ-UHFFFAOYSA-N -1 1 326.462 3.515 20 0 EHADMM Cc1nc(SCC(C)C)sc1CC(=O)[N-]OC/C=C\Cl ZINC000854535040 1136624925 /nfs/dbraw/zinc/62/49/25/1136624925.db2.gz QLBIGKQTCNTFIT-PLNGDYQASA-N -1 1 334.894 3.542 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 ZINC001135903486 1136802604 /nfs/dbraw/zinc/80/26/04/1136802604.db2.gz XDBUQLSNMHSESO-SECBINFHSA-N -1 1 334.466 3.948 20 0 EHADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cn(C)nc2Cl)cc1 ZINC000856722576 1136803251 /nfs/dbraw/zinc/80/32/51/1136803251.db2.gz NPMQCZWNUFMALR-HNNXBMFYSA-N -1 1 335.835 3.503 20 0 EHADMM O=C(CCCc1nn[n-]n1)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC001136024217 1136840910 /nfs/dbraw/zinc/84/09/10/1136840910.db2.gz BGHFKZKBTQUJMI-UHFFFAOYSA-N -1 1 347.378 3.574 20 0 EHADMM COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc([O-])cn2)cc1 ZINC001136102680 1136857448 /nfs/dbraw/zinc/85/74/48/1136857448.db2.gz BNBXZOVJUWVOEK-SFHVURJKSA-N -1 1 326.396 3.553 20 0 EHADMM Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1F ZINC001136128292 1136863499 /nfs/dbraw/zinc/86/34/99/1136863499.db2.gz IAUIKPNWUFRPPC-UHFFFAOYSA-N -1 1 327.277 3.789 20 0 EHADMM COc1ccc2c(c1)CCCN2C(=O)c1cc(SC)ccc1[O-] ZINC000820500882 1136993695 /nfs/dbraw/zinc/99/36/95/1136993695.db2.gz QGMSSKFRCKMIOH-UHFFFAOYSA-N -1 1 329.421 3.716 20 0 EHADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1c([O-])cnc2c(F)cccc21 ZINC001136389721 1137010020 /nfs/dbraw/zinc/01/00/20/1137010020.db2.gz HTCJCMAZSCEBLA-HNNXBMFYSA-N -1 1 340.329 3.636 20 0 EHADMM CCCN(Cc1ccccc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117318933 1137050241 /nfs/dbraw/zinc/05/02/41/1137050241.db2.gz FBWHDPZFIWRHEU-UHFFFAOYSA-N -1 1 339.468 3.872 20 0 EHADMM Cc1cnc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c([O-])c1 ZINC001136781469 1137114118 /nfs/dbraw/zinc/11/41/18/1137114118.db2.gz QYQNRUBKUVEFPL-HZUKXOBISA-N -1 1 330.815 3.876 20 0 EHADMM CCC(C)(C)c1ccccc1C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000824611855 1137145140 /nfs/dbraw/zinc/14/51/40/1137145140.db2.gz SQJZCPCHCYXVKL-UHFFFAOYSA-N -1 1 345.468 3.522 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863240327 1137176656 /nfs/dbraw/zinc/17/66/56/1137176656.db2.gz YWIWCZZHNQOLHV-MELADBBJSA-N -1 1 329.346 3.546 20 0 EHADMM O=c1cc(CSCc2ccc3c(c2)OCO3)c2ccc([O-])cc2o1 ZINC000794544952 1137197938 /nfs/dbraw/zinc/19/79/38/1137197938.db2.gz IKEIVYVVMGZAKO-UHFFFAOYSA-N -1 1 342.372 3.661 20 0 EHADMM O=C([O-])CCc1cccc(CNCc2ccccc2OC(F)F)c1 ZINC000864517635 1137231553 /nfs/dbraw/zinc/23/15/53/1137231553.db2.gz IWULWLWEEGSMHD-UHFFFAOYSA-N -1 1 335.350 3.595 20 0 EHADMM O=C(CCc1ccccc1O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001144517565 1137304508 /nfs/dbraw/zinc/30/45/08/1137304508.db2.gz DFBGAOADFABTBY-UHFFFAOYSA-N -1 1 325.286 3.688 20 0 EHADMM [O-]c1cc(F)c(CN2CCN(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC001144541988 1137307050 /nfs/dbraw/zinc/30/70/50/1137307050.db2.gz OITJAXLXGUSQPS-UHFFFAOYSA-N -1 1 338.785 3.646 20 0 EHADMM [O-]c1cc(F)c(CN2Cc3cccc(Br)c3C2)c(F)c1 ZINC001144554853 1137308885 /nfs/dbraw/zinc/30/88/85/1137308885.db2.gz JVKPSZBCSWNXKV-UHFFFAOYSA-N -1 1 340.167 3.949 20 0 EHADMM [O-]c1cc(F)c(CN2Cc3cnc(-c4ccccc4)nc3C2)c(F)c1 ZINC001144561713 1137310020 /nfs/dbraw/zinc/31/00/20/1137310020.db2.gz MPLHGGMJWPKMRP-UHFFFAOYSA-N -1 1 339.345 3.643 20 0 EHADMM Cc1ccc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)cc1C ZINC001144647027 1137322443 /nfs/dbraw/zinc/32/24/43/1137322443.db2.gz VWCIKYCLCFSOBA-UHFFFAOYSA-N -1 1 332.394 3.609 20 0 EHADMM O=C1CC2(CCN(Cc3cc(F)c([O-])cc3F)CC2)c2ccccc21 ZINC001144663251 1137324796 /nfs/dbraw/zinc/32/47/96/1137324796.db2.gz ARRJUBZUTNXPKM-UHFFFAOYSA-N -1 1 343.373 3.791 20 0 EHADMM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC001147111863 1137400659 /nfs/dbraw/zinc/40/06/59/1137400659.db2.gz JKRQRABOXYZVAE-DOMZBBRYSA-N -1 1 346.224 3.516 20 0 EHADMM O=C(N[C@@H]1CCOc2c(F)cccc21)c1ccc2ccccc2c1[O-] ZINC001148022028 1137416719 /nfs/dbraw/zinc/41/67/19/1137416719.db2.gz WJPNZKAKXBEKKF-QGZVFWFLSA-N -1 1 337.350 3.938 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)NC3(c4cccc(C)c4)CC3)cc2)[n-]1 ZINC001148341329 1137422664 /nfs/dbraw/zinc/42/26/64/1137422664.db2.gz YMZFLHOSUSELOE-UHFFFAOYSA-N -1 1 347.418 3.527 20 0 EHADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(Br)cc1[O-] ZINC001148387604 1137423130 /nfs/dbraw/zinc/42/31/30/1137423130.db2.gz FEGZAANJJJIRPJ-ZIAGYGMSSA-N -1 1 338.245 3.853 20 0 EHADMM Cc1[nH]nc2ncc(NC(=O)c3cccc(-c4ccccc4)c3[O-])cc12 ZINC001148860887 1137436427 /nfs/dbraw/zinc/43/64/27/1137436427.db2.gz ACPYPUSTZGJLDW-UHFFFAOYSA-N -1 1 344.374 3.891 20 0 EHADMM COC[C@@H]1CCCCN1C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148867508 1137436606 /nfs/dbraw/zinc/43/66/06/1137436606.db2.gz XAULZHSAZRPNHI-INIZCTEOSA-N -1 1 325.408 3.700 20 0 EHADMM COC[C@H]1CCCCN1C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148867509 1137436802 /nfs/dbraw/zinc/43/68/02/1137436802.db2.gz XAULZHSAZRPNHI-MRXNPFEDSA-N -1 1 325.408 3.700 20 0 EHADMM C[C@@]1(CO)CCCN(C(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148867240 1137436872 /nfs/dbraw/zinc/43/68/72/1137436872.db2.gz MUCDFOYOIZLZFR-OAQYLSRUSA-N -1 1 339.435 3.684 20 0 EHADMM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)c1ccc(F)cc1 ZINC000751732599 1137469294 /nfs/dbraw/zinc/46/92/94/1137469294.db2.gz RMNMKOCJOITSFP-MRVPVSSYSA-N -1 1 340.709 3.752 20 0 EHADMM COc1ccc([C@H](NCc2csc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000871883575 1137562410 /nfs/dbraw/zinc/56/24/10/1137562410.db2.gz RRGNARAZKRNIAG-ZDUSSCGKSA-N -1 1 345.342 3.691 20 0 EHADMM CC1(C)CN(C(=O)NCc2ccc([O-])c(Cl)c2)[C@@H]1c1cccnc1 ZINC000876396973 1137650798 /nfs/dbraw/zinc/65/07/98/1137650798.db2.gz UCPFRUGMMBTORO-MRXNPFEDSA-N -1 1 345.830 3.733 20 0 EHADMM CCOc1cc(C(=O)NCC(C)(C)C(C)(F)F)cc(Cl)c1[O-] ZINC000825889766 1137657016 /nfs/dbraw/zinc/65/70/16/1137657016.db2.gz JYYKNWDPFALJPD-UHFFFAOYSA-N -1 1 335.778 3.856 20 0 EHADMM CCOC(=O)CCCCCCCNC(=O)c1ccc(Cl)cc1[O-] ZINC001137116117 1137669895 /nfs/dbraw/zinc/66/98/95/1137669895.db2.gz RBDHFJALSODRDK-UHFFFAOYSA-N -1 1 341.835 3.679 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCC2CCSCC2)c1 ZINC000877570715 1137681517 /nfs/dbraw/zinc/68/15/17/1137681517.db2.gz QNYMKOZVJIKMLJ-UHFFFAOYSA-N -1 1 346.418 3.729 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000826075775 1137729344 /nfs/dbraw/zinc/72/93/44/1137729344.db2.gz ZZFCWGNUVCALQM-SNPRPXQTSA-N -1 1 326.362 3.774 20 0 EHADMM CCc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000023623388 1137762585 /nfs/dbraw/zinc/76/25/85/1137762585.db2.gz NMDUVCSKWWBKSJ-UHFFFAOYSA-N -1 1 344.465 3.870 20 0 EHADMM O=C1Nc2ccc(F)cc2/C1=C\c1ccc([O-])c(Br)c1 ZINC000131206265 1137848424 /nfs/dbraw/zinc/84/84/24/1137848424.db2.gz KKBJTVWRQNQEHV-VZUCSPMQSA-N -1 1 334.144 3.787 20 0 EHADMM Cc1sc(NC(=O)c2ccc([O-])cn2)nc1-c1ccc(C)cc1 ZINC001626120805 1137866244 /nfs/dbraw/zinc/86/62/44/1137866244.db2.gz KUPSJVFADWLBLD-UHFFFAOYSA-N -1 1 325.393 3.780 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2Cc2nc(C(C)(C)C)no2)c1 ZINC000109525149 1137893235 /nfs/dbraw/zinc/89/32/35/1137893235.db2.gz ZOCASGSYBFEORW-UHFFFAOYSA-N -1 1 329.429 3.645 20 0 EHADMM CCOc1cc(-c2noc(CC3CC3)n2)cc(Br)c1[O-] ZINC000113709614 1137914429 /nfs/dbraw/zinc/91/44/29/1137914429.db2.gz YCBYKZKVFXOENH-UHFFFAOYSA-N -1 1 339.189 3.556 20 0 EHADMM CO[C@H](C)c1nc(C)c(C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC000885676743 1138017777 /nfs/dbraw/zinc/01/77/77/1138017777.db2.gz UATBTDCJWPGPHC-SSDOTTSWSA-N -1 1 344.795 3.909 20 0 EHADMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1occc1-c1ccccc1 ZINC001649170827 1138020258 /nfs/dbraw/zinc/02/02/58/1138020258.db2.gz PDEDLNNVPNUBPE-ZDUSSCGKSA-N -1 1 341.392 3.902 20 0 EHADMM Cc1csc(C[C@H]2CCN(C(=O)c3c([O-])cccc3Cl)C2)n1 ZINC000886227312 1138060982 /nfs/dbraw/zinc/06/09/82/1138060982.db2.gz AEVJEQRGEQRCOJ-LLVKDONJSA-N -1 1 336.844 3.515 20 0 EHADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266554 1138062820 /nfs/dbraw/zinc/06/28/20/1138062820.db2.gz PTTVUIDBCDNAON-OLZOCXBDSA-N -1 1 337.391 3.503 20 0 EHADMM O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)cc2)S1 ZINC000139336950 1138172425 /nfs/dbraw/zinc/17/24/25/1138172425.db2.gz RXNBOHZJKSMIJJ-OQLLNIDSSA-N -1 1 329.352 3.729 20 0 EHADMM CSc1cccc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000085545849 1138184698 /nfs/dbraw/zinc/18/46/98/1138184698.db2.gz ZERKILRJHPCCAL-UHFFFAOYSA-N -1 1 337.474 3.565 20 0 EHADMM CCCc1occc1C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000337070657 1138460261 /nfs/dbraw/zinc/46/02/61/1138460261.db2.gz WWDKFRUOTFIXIH-UHFFFAOYSA-N -1 1 331.322 3.575 20 0 EHADMM Cc1cccc(C)c1CN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000887960544 1138994717 /nfs/dbraw/zinc/99/47/17/1138994717.db2.gz MCICOSRDMIIENM-UHFFFAOYSA-N -1 1 327.428 3.503 20 0 EHADMM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cncc([O-])c1 ZINC000177459381 1139621054 /nfs/dbraw/zinc/62/10/54/1139621054.db2.gz IFCCUOVPANRDPZ-CQSZACIVSA-N -1 1 325.412 3.727 20 0 EHADMM CC[C@@](C)([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1nccs1 ZINC000270175175 1141188237 /nfs/dbraw/zinc/18/82/37/1141188237.db2.gz DBFGOTQAHWEGJT-CQSZACIVSA-N -1 1 346.349 3.955 20 0 EHADMM CCOc1cc(C(=O)Nc2scnc2CC)cc(Cl)c1[O-] ZINC000273878036 1141438585 /nfs/dbraw/zinc/43/85/85/1141438585.db2.gz RVQCPZLNEZUIET-UHFFFAOYSA-N -1 1 326.805 3.716 20 0 EHADMM CCOc1cc(C(=O)N(CC)Cc2ccncc2)cc(Cl)c1[O-] ZINC000273961928 1141453789 /nfs/dbraw/zinc/45/37/89/1141453789.db2.gz PAHDHTJNEZCJMA-UHFFFAOYSA-N -1 1 334.803 3.502 20 0 EHADMM Clc1ccccc1Sc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737582580 598934957 /nfs/dbraw/zinc/93/49/57/598934957.db2.gz DTTWGRDQMSMNPC-UHFFFAOYSA-N -1 1 340.799 3.615 20 0 EHADMM CCCc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736496251 598955805 /nfs/dbraw/zinc/95/58/05/598955805.db2.gz BHUOEEYOBZCAFC-UHFFFAOYSA-N -1 1 331.383 3.506 20 0 EHADMM CCCc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736496251 598955807 /nfs/dbraw/zinc/95/58/07/598955807.db2.gz BHUOEEYOBZCAFC-UHFFFAOYSA-N -1 1 331.383 3.506 20 0 EHADMM Cc1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c(Cl)c1 ZINC000737366844 598974196 /nfs/dbraw/zinc/97/41/96/598974196.db2.gz XEZQJWBAOSAIJR-UHFFFAOYSA-N -1 1 338.758 3.564 20 0 EHADMM Cc1cccc([C@H](C)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737390803 599047241 /nfs/dbraw/zinc/04/72/41/599047241.db2.gz VZJLOQJJTVTBIF-SECBINFHSA-N -1 1 334.836 3.501 20 0 EHADMM Cc1cccc([C@H](C)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737390803 599047243 /nfs/dbraw/zinc/04/72/43/599047243.db2.gz VZJLOQJJTVTBIF-SECBINFHSA-N -1 1 334.836 3.501 20 0 EHADMM C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818075597 597088722 /nfs/dbraw/zinc/08/87/22/597088722.db2.gz BOYBBQIRSZBFOZ-RYUDHWBXSA-N -1 1 349.818 3.638 20 0 EHADMM CCC[C@@H](Cc1ccccc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736426023 598522839 /nfs/dbraw/zinc/52/28/39/598522839.db2.gz MZEGCVYROKNBRZ-NSHDSACASA-N -1 1 348.863 3.800 20 0 EHADMM CCC[C@@H](Cc1ccccc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736426023 598522840 /nfs/dbraw/zinc/52/28/40/598522840.db2.gz MZEGCVYROKNBRZ-NSHDSACASA-N -1 1 348.863 3.800 20 0 EHADMM Cc1ccc(C(C)(C)CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000737316449 598673334 /nfs/dbraw/zinc/67/33/34/598673334.db2.gz CBOHYFYJICZPTP-UHFFFAOYSA-N -1 1 348.863 3.675 20 0 EHADMM Cc1ccc(C(C)(C)CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000737316449 598673336 /nfs/dbraw/zinc/67/33/36/598673336.db2.gz CBOHYFYJICZPTP-UHFFFAOYSA-N -1 1 348.863 3.675 20 0 EHADMM CC(C)Sc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735921088 599428159 /nfs/dbraw/zinc/42/81/59/599428159.db2.gz IQHUYZDWSZJFGJ-GFCCVEGCSA-N -1 1 340.456 3.935 20 0 EHADMM CC(C)Sc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735921088 599428162 /nfs/dbraw/zinc/42/81/62/599428162.db2.gz IQHUYZDWSZJFGJ-GFCCVEGCSA-N -1 1 340.456 3.935 20 0 EHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(Cl)c1Cl ZINC000736137171 599440670 /nfs/dbraw/zinc/44/06/70/599440670.db2.gz KPUCFWDRJSGDFQ-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(Cl)c1Cl ZINC000736137171 599440673 /nfs/dbraw/zinc/44/06/73/599440673.db2.gz KPUCFWDRJSGDFQ-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000261969854 600250893 /nfs/dbraw/zinc/25/08/93/600250893.db2.gz UGWNKZOXXMUDND-KRWDZBQOSA-N -1 1 344.386 3.546 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1ncc(-c3cccc(Cl)c3)o1)CC2 ZINC000405317734 600294842 /nfs/dbraw/zinc/29/48/42/600294842.db2.gz BMSATBNUIKGIQL-AWEZNQCLSA-N -1 1 346.814 3.682 20 0 EHADMM CC(C)N(CCC(=O)[O-])Cn1c2ccc(Cl)cc2oc1=S ZINC000736469048 600610334 /nfs/dbraw/zinc/61/03/34/600610334.db2.gz VWTPYDMDJFXWKY-UHFFFAOYSA-N -1 1 328.821 3.760 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(-c2cccnc2)cc1)c1ccccc1F ZINC000833165954 600761092 /nfs/dbraw/zinc/76/10/92/600761092.db2.gz MWGHSMNMIDZBGS-LJQANCHMSA-N -1 1 336.366 3.803 20 0 EHADMM Cc1ccccc1[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)[C@@H](C)CO1 ZINC000263508789 600833184 /nfs/dbraw/zinc/83/31/84/600833184.db2.gz YBMLYYXQBSOJQH-KXBFYZLASA-N -1 1 325.408 3.655 20 0 EHADMM O=C([O-])[C@H]1CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000164499875 601030005 /nfs/dbraw/zinc/03/00/05/601030005.db2.gz MMUPHQBKJHAJNM-LBPRGKRZSA-N -1 1 336.844 3.760 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000827134285 601506773 /nfs/dbraw/zinc/50/67/73/601506773.db2.gz PHYKKTMAMYLQTP-RHSMWYFYSA-N -1 1 346.471 3.524 20 0 EHADMM CCCN(Cc1ccsc1C(=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000829497239 601811425 /nfs/dbraw/zinc/81/14/25/601811425.db2.gz ZXYPIZDUFORQLW-CYBMUJFWSA-N -1 1 346.452 3.686 20 0 EHADMM C/C(=C/CN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl)C(=O)[O-] ZINC000825741735 601907704 /nfs/dbraw/zinc/90/77/04/601907704.db2.gz QXMAQBZSEZYADI-VDBIKXPHSA-N -1 1 339.867 3.669 20 0 EHADMM COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])s2)cc1OC ZINC000563278114 601954128 /nfs/dbraw/zinc/95/41/28/601954128.db2.gz OVKNBEUNRKXMAT-CQSZACIVSA-N -1 1 347.436 3.801 20 0 EHADMM Cc1cccnc1CN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832983509 601975099 /nfs/dbraw/zinc/97/50/99/601975099.db2.gz IVNUNNZLQWDXFE-AWEZNQCLSA-N -1 1 325.195 3.612 20 0 EHADMM Cc1oc(-c2ccsc2)nc1CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000830937634 603783982 /nfs/dbraw/zinc/78/39/82/603783982.db2.gz XYOPXNIQYIFNJS-UHFFFAOYSA-N -1 1 349.456 3.722 20 0 EHADMM Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830936665 604257400 /nfs/dbraw/zinc/25/74/00/604257400.db2.gz OSZQLROQGGXIRB-YPMHNXCESA-N -1 1 349.456 3.580 20 0 EHADMM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000827726696 604292575 /nfs/dbraw/zinc/29/25/75/604292575.db2.gz BUWLYCMOQGHOAJ-GXTWGEPZSA-N -1 1 331.441 3.603 20 0 EHADMM C[C@@H](Oc1ccc(CN(C)[C@H](C)c2ccccc2F)cc1)C(=O)[O-] ZINC000833539176 604533219 /nfs/dbraw/zinc/53/32/19/604533219.db2.gz XLGSWPHSHUUSRY-ZIAGYGMSSA-N -1 1 331.387 3.871 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(F)cc1C(F)(F)F)CC2 ZINC000405368946 604652179 /nfs/dbraw/zinc/65/21/79/604652179.db2.gz NIEQPROULWVEFM-CYBMUJFWSA-N -1 1 331.309 3.531 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833732252 604751184 /nfs/dbraw/zinc/75/11/84/604751184.db2.gz JNLXWTKORSGIAU-GOSISDBHSA-N -1 1 329.371 3.870 20 0 EHADMM CC1(C)C[C@@H](NCc2ccc(NC(=O)[O-])nc2)c2ccc(F)cc2O1 ZINC000825706912 604778312 /nfs/dbraw/zinc/77/83/12/604778312.db2.gz KRPRIRYDTMTIQJ-CQSZACIVSA-N -1 1 345.374 3.703 20 0 EHADMM O=C([O-])c1occc1CNCc1cccc(OCc2ccccc2)c1 ZINC000310882957 605076939 /nfs/dbraw/zinc/07/69/39/605076939.db2.gz INWCERPIGLZTFJ-UHFFFAOYSA-N -1 1 337.375 3.847 20 0 EHADMM Cc1ccc(S(=O)(=O)Nc2cccc3ccsc32)c(C(=O)[O-])c1 ZINC000833751092 605189219 /nfs/dbraw/zinc/18/92/19/605189219.db2.gz OADVQYAILZMGRG-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM CSCCc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821970796 606464756 /nfs/dbraw/zinc/46/47/56/606464756.db2.gz SEJRGDGKAXMXBG-UHFFFAOYSA-N -1 1 346.847 3.564 20 0 EHADMM CSCCc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821970796 606464758 /nfs/dbraw/zinc/46/47/58/606464758.db2.gz SEJRGDGKAXMXBG-UHFFFAOYSA-N -1 1 346.847 3.564 20 0 EHADMM CC(C)c1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820192456 606492961 /nfs/dbraw/zinc/49/29/61/606492961.db2.gz OOVKLMWUDSQBHC-NSHDSACASA-N -1 1 341.440 3.543 20 0 EHADMM CC(C)c1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820192456 606492963 /nfs/dbraw/zinc/49/29/63/606492963.db2.gz OOVKLMWUDSQBHC-NSHDSACASA-N -1 1 341.440 3.543 20 0 EHADMM CCc1nnc(Oc2cc(C)ccc2Cl)c(-c2nnn[n-]2)c1CC ZINC000821547804 606916087 /nfs/dbraw/zinc/91/60/87/606916087.db2.gz CFXWXVLLDHXCMP-UHFFFAOYSA-N -1 1 344.806 3.536 20 0 EHADMM CCc1nnc(Oc2cc(C)ccc2Cl)c(-c2nn[n-]n2)c1CC ZINC000821547804 606916088 /nfs/dbraw/zinc/91/60/88/606916088.db2.gz CFXWXVLLDHXCMP-UHFFFAOYSA-N -1 1 344.806 3.536 20 0 EHADMM c1cc(Oc2ccc(C3SCCS3)cc2)nc(-c2nnn[n-]2)c1 ZINC000826517695 607895189 /nfs/dbraw/zinc/89/51/89/607895189.db2.gz LYBZYPPASOUYDB-UHFFFAOYSA-N -1 1 343.437 3.533 20 0 EHADMM c1cc(Oc2ccc(C3SCCS3)cc2)nc(-c2nn[n-]n2)c1 ZINC000826517695 607895190 /nfs/dbraw/zinc/89/51/90/607895190.db2.gz LYBZYPPASOUYDB-UHFFFAOYSA-N -1 1 343.437 3.533 20 0 EHADMM CC(C)c1ccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824347714 607968436 /nfs/dbraw/zinc/96/84/36/607968436.db2.gz LLEDUCHZNKQZSS-QGZVFWFLSA-N -1 1 334.427 3.727 20 0 EHADMM CC(C)c1ccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824347714 607968437 /nfs/dbraw/zinc/96/84/37/607968437.db2.gz LLEDUCHZNKQZSS-QGZVFWFLSA-N -1 1 334.427 3.727 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263382778 950423811 /nfs/dbraw/zinc/42/38/11/950423811.db2.gz XNIOSTWDBSABDX-UTUOFQBUSA-N -1 1 337.370 3.535 20 0 EHADMM C[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC(C)(C)O1 ZINC000390675013 972297908 /nfs/dbraw/zinc/29/79/08/972297908.db2.gz TWSXDSHUWTWQGL-SNVBAGLBSA-N -1 1 337.416 3.738 20 0 EHADMM Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1Br ZINC000097901986 958351558 /nfs/dbraw/zinc/35/15/58/958351558.db2.gz HBPXNGKPQHCFBA-UHFFFAOYSA-N -1 1 340.261 3.834 20 0 EHADMM Cc1sc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c(C(=O)[O-])c1C ZINC000391718180 972361475 /nfs/dbraw/zinc/36/14/75/972361475.db2.gz ATWWFZJAOOPWLI-UHFFFAOYSA-N -1 1 341.392 3.706 20 0 EHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000161542692 959186392 /nfs/dbraw/zinc/18/63/92/959186392.db2.gz RSJFZCMFCHVDHH-OAHLLOKOSA-N -1 1 334.213 3.673 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(F)cc2)c(Br)c1 ZINC000232438071 960271010 /nfs/dbraw/zinc/27/10/10/960271010.db2.gz AOSKTCPAGLLROB-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(C(=O)[O-])cc1 ZINC000263558825 962728246 /nfs/dbraw/zinc/72/82/46/962728246.db2.gz ANKGTRMTQXFHAY-UHFFFAOYSA-N -1 1 340.423 3.544 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(C(F)F)CC2)c(Br)c1 ZINC000307866216 963234367 /nfs/dbraw/zinc/23/43/67/963234367.db2.gz FRQISGTUVHROEH-UHFFFAOYSA-N -1 1 348.187 3.624 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000584172170 968482508 /nfs/dbraw/zinc/48/25/08/968482508.db2.gz AYUXTVDSCWAOPE-WOPDTQHZSA-N -1 1 337.370 3.535 20 0 EHADMM Cc1cc(CN2CCC(c3ccccc3C(=O)[O-])CC2)cnc1F ZINC001605165534 972864047 /nfs/dbraw/zinc/86/40/47/972864047.db2.gz MJKMXRONFQTIPC-UHFFFAOYSA-N -1 1 328.387 3.607 20 0 EHADMM Cc1cccc([C@H](NCc2ccc(Cl)nc2Cl)C(=O)[O-])c1 ZINC001605332017 973213591 /nfs/dbraw/zinc/21/35/91/973213591.db2.gz ZQCSECKEOUCJFH-ZDUSSCGKSA-N -1 1 325.195 3.612 20 0 EHADMM Cc1ccccc1CN(C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001605356345 973270297 /nfs/dbraw/zinc/27/02/97/973270297.db2.gz QLCYWEBSBNDFMV-KRWDZBQOSA-N -1 1 342.439 3.521 20 0 EHADMM CCCC[C@H](C(=O)[O-])N1CCc2c(Br)ccc(F)c2C1 ZINC000519831166 974336481 /nfs/dbraw/zinc/33/64/81/974336481.db2.gz XTTXHAONXATSCP-CQSZACIVSA-N -1 1 344.224 3.590 20 0 EHADMM Cc1oc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1C(=O)[O-] ZINC000565104814 974570201 /nfs/dbraw/zinc/57/02/01/974570201.db2.gz GDZYPCLVRYJLAG-ZDUSSCGKSA-N -1 1 331.334 3.841 20 0 EHADMM COc1cc(F)c(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1OC ZINC000565955240 974591868 /nfs/dbraw/zinc/59/18/68/974591868.db2.gz WMSDTKHRMQCRQD-INIZCTEOSA-N -1 1 347.386 3.539 20 0 EHADMM C[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000566357761 974607761 /nfs/dbraw/zinc/60/77/61/974607761.db2.gz KVWPGHAFXVMKOJ-KRWDZBQOSA-N -1 1 334.416 3.636 20 0 EHADMM Cc1cc(CN2CCC(OCCc3ccccc3)CC2)oc1C(=O)[O-] ZINC000568521193 974673170 /nfs/dbraw/zinc/67/31/70/974673170.db2.gz UNJMTKRSGDJCLH-UHFFFAOYSA-N -1 1 343.423 3.510 20 0 EHADMM COc1ccc(OC)c([C@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)c1 ZINC000571172202 974724705 /nfs/dbraw/zinc/72/47/05/974724705.db2.gz QGSIPJDXYYEQGF-MRXNPFEDSA-N -1 1 345.395 3.641 20 0 EHADMM Cc1oc(CN(C)Cc2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000576590222 974818537 /nfs/dbraw/zinc/81/85/37/974818537.db2.gz UVLDLUZHZXXROU-UHFFFAOYSA-N -1 1 327.302 3.937 20 0 EHADMM [O-]c1cccc(CNCc2ncc(-c3ccccc3)cn2)c1Cl ZINC000339351142 1014267648 /nfs/dbraw/zinc/26/76/48/1014267648.db2.gz NKTUAHJMEZMRMJ-UHFFFAOYSA-N -1 1 325.799 3.792 20 0 EHADMM C[C@@H](c1noc(-c2ccccc2)n1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652498572 975560264 /nfs/dbraw/zinc/56/02/64/975560264.db2.gz MLOKFOAFEZTUJT-DZGCQCFKSA-N -1 1 343.427 3.620 20 0 EHADMM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(C)c1 ZINC000656565008 975663375 /nfs/dbraw/zinc/66/33/75/975663375.db2.gz CGKQYSFVUVJPBC-QGZVFWFLSA-N -1 1 335.350 3.587 20 0 EHADMM COc1cc(Cl)ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656763283 975693010 /nfs/dbraw/zinc/69/30/10/975693010.db2.gz ATJLLDLIZBIKRU-PMPSAXMXSA-N -1 1 337.847 3.814 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])cc1F ZINC000656764546 975694781 /nfs/dbraw/zinc/69/47/81/975694781.db2.gz YVKBDLRCMSYHQO-AWEZNQCLSA-N -1 1 335.400 3.931 20 0 EHADMM CO[C@]1(C(=O)[O-])CCN(Cc2c(Cl)cccc2SC(C)C)C1 ZINC000901540366 980368359 /nfs/dbraw/zinc/36/83/59/980368359.db2.gz CFJCEIRKGFCKKW-MRXNPFEDSA-N -1 1 343.876 3.516 20 0 EHADMM CCc1oc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000902163532 980763378 /nfs/dbraw/zinc/76/33/78/980763378.db2.gz WQFIQRWSOGEUIF-HNNXBMFYSA-N -1 1 345.395 3.552 20 0 EHADMM CCc1oc(CN(Cc2ccc(C)nc2)CC2CC2)cc1C(=O)[O-] ZINC000902356439 980849899 /nfs/dbraw/zinc/84/98/99/980849899.db2.gz ZUBNUBLPZDATDK-UHFFFAOYSA-N -1 1 328.412 3.656 20 0 EHADMM O=C([O-])c1cccc2c(CN3CCS[C@@H]4CCCC[C@@H]43)ccnc12 ZINC000902522577 980919146 /nfs/dbraw/zinc/91/91/46/980919146.db2.gz BCEFNBXOHCWRPT-DLBZAZTESA-N -1 1 342.464 3.793 20 0 EHADMM O=C([O-])c1cccc2c(CN3CCS[C@@H]4CCCC[C@H]43)ccnc12 ZINC000902522579 980919889 /nfs/dbraw/zinc/91/98/89/980919889.db2.gz BCEFNBXOHCWRPT-IAGOWNOFSA-N -1 1 342.464 3.793 20 0 EHADMM CCC1(CO)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001595384338 980931995 /nfs/dbraw/zinc/93/19/95/980931995.db2.gz RLTSYXUQEMFHKY-AWEZNQCLSA-N -1 1 346.254 3.604 20 0 EHADMM O=C([O-])c1cncc(CN2CCC([C@H](F)c3ccccc3F)CC2)c1 ZINC000903907732 981032807 /nfs/dbraw/zinc/03/28/07/981032807.db2.gz RWAUGMBWJFXBJF-SFHVURJKSA-N -1 1 346.377 3.842 20 0 EHADMM O=C([O-])c1cnc([C@H]2CCN(Cc3cccc(Cl)c3F)C2)s1 ZINC000903928538 981047724 /nfs/dbraw/zinc/04/77/24/981047724.db2.gz SZUSIVCVNGHLCE-JTQLQIEISA-N -1 1 340.807 3.623 20 0 EHADMM CC[C@@H]1CN([C@@H](C)c2nc(C(=O)[O-])co2)CC[C@@H]1c1ccccc1 ZINC001595484521 981222716 /nfs/dbraw/zinc/22/27/16/981222716.db2.gz RQTLMAWZJRJDLE-LZWOXQAQSA-N -1 1 328.412 3.950 20 0 EHADMM CC[C@H]1Cc2c(Br)cccc2CN1C/C=C(/C)C(=O)[O-] ZINC001595499932 981268096 /nfs/dbraw/zinc/26/80/96/981268096.db2.gz DXAMXGTVOXKGCW-YLBKJLTLSA-N -1 1 338.245 3.617 20 0 EHADMM CCCC[C@H](C(=O)[O-])N1CCc2cc(Br)c(F)cc2C1 ZINC001595628330 981784875 /nfs/dbraw/zinc/78/48/75/981784875.db2.gz VBLNPELYFQAYJQ-CQSZACIVSA-N -1 1 344.224 3.590 20 0 EHADMM CC[C@H](C)N(CCc1ccccc1F)Cc1ncc(C(=O)[O-])s1 ZINC001594985499 982803827 /nfs/dbraw/zinc/80/38/27/982803827.db2.gz RIZNMZICVHCTDO-LBPRGKRZSA-N -1 1 336.432 3.824 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000153434829 1125489765 /nfs/dbraw/zinc/48/97/65/1125489765.db2.gz AFDTXHQLCWZEBK-UHFFFAOYSA-N -1 1 340.766 3.857 20 0 EHADMM CC(=Cc1ccc(C)cc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001588999426 984937630 /nfs/dbraw/zinc/93/76/30/984937630.db2.gz UWRGXJOZHJDXAG-BENRWUELSA-N -1 1 335.363 3.612 20 0 EHADMM C[C@H]1CN(Cc2cc(F)c(C(F)(F)F)cc2F)CC[C@H]1C(=O)[O-] ZINC001599930096 985295550 /nfs/dbraw/zinc/29/55/50/985295550.db2.gz OLVGTEMHXQDWJQ-WCBMZHEXSA-N -1 1 337.288 3.526 20 0 EHADMM Cc1[nH]c(C(=O)CN2CC[C@H](C(C)(C)C)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599944162 985495472 /nfs/dbraw/zinc/49/54/72/985495472.db2.gz JKTWLWCYCNCEKB-FZMZJTMJSA-N -1 1 334.460 3.659 20 0 EHADMM CC(=O)Nc1cccc([C@H](C)NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1 ZINC001589204763 985664203 /nfs/dbraw/zinc/66/42/03/985664203.db2.gz CMTHOGANAPRWQR-LBPRGKRZSA-N -1 1 343.427 3.646 20 0 EHADMM C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)Cc2ccccc2O1 ZINC001594501995 985690013 /nfs/dbraw/zinc/69/00/13/985690013.db2.gz QYYFJEJBRQAOHK-YVEFUNNKSA-N -1 1 331.799 3.749 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(Cc1ccccc1)C(C)(C)C ZINC001599959340 985751499 /nfs/dbraw/zinc/75/14/99/985751499.db2.gz MILCLOPETNVMDL-UHFFFAOYSA-N -1 1 328.412 3.505 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC001599960555 985772350 /nfs/dbraw/zinc/77/23/50/985772350.db2.gz UPCICIQQXORQFM-SCLBCKFNSA-N -1 1 340.423 3.677 20 0 EHADMM Cc1c2cccc(C)c2oc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001599985134 986218619 /nfs/dbraw/zinc/21/86/19/986218619.db2.gz IBPPPFKVSYHEAZ-UHFFFAOYSA-N -1 1 349.346 3.876 20 0 EHADMM C[C@@H]1CSCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001594613572 986620808 /nfs/dbraw/zinc/62/08/08/986620808.db2.gz OHDSZAIBBVOBFV-LBPRGKRZSA-N -1 1 348.493 3.693 20 0 EHADMM CCc1[nH]c(CN2CCC[C@H]2Cc2cc(F)ccc2F)cc1C(=O)[O-] ZINC001597387058 987611616 /nfs/dbraw/zinc/61/16/16/987611616.db2.gz VLRYOGIPMIUKNP-HNNXBMFYSA-N -1 1 348.393 3.761 20 0 EHADMM CC(C)(C)C[C@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)[O-] ZINC001589762116 988097265 /nfs/dbraw/zinc/09/72/65/988097265.db2.gz YAINDZPVVMUFIK-LBPRGKRZSA-N -1 1 325.478 3.909 20 0 EHADMM CC(C)(C)C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)[O-] ZINC001589762116 988097275 /nfs/dbraw/zinc/09/72/75/988097275.db2.gz YAINDZPVVMUFIK-LBPRGKRZSA-N -1 1 325.478 3.909 20 0 EHADMM [O-]C(=NO[C@H]1CCCCO1)Nc1ncc(C2CCCCC2)s1 ZINC000274838454 1015464360 /nfs/dbraw/zinc/46/43/60/1015464360.db2.gz CKEXHVZVAVOXMM-ZDUSSCGKSA-N -1 1 325.434 3.771 20 0 EHADMM O=C([N-]O[C@H]1CCCCO1)Nc1ncc(C2CCCCC2)s1 ZINC000274838454 1015464366 /nfs/dbraw/zinc/46/43/66/1015464366.db2.gz CKEXHVZVAVOXMM-ZDUSSCGKSA-N -1 1 325.434 3.771 20 0 EHADMM CC(C)(C)c1ccc(NC(=O)CN[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001590493587 990096579 /nfs/dbraw/zinc/09/65/79/990096579.db2.gz MHVFRLWGMVJBDH-SFHVURJKSA-N -1 1 346.471 3.546 20 0 EHADMM CC(C)(NCCSc1ccc(Cl)cc1)c1nocc1C(=O)[O-] ZINC001590870414 990772532 /nfs/dbraw/zinc/77/25/32/990772532.db2.gz LZNBCOSWIOSAER-UHFFFAOYSA-N -1 1 340.832 3.643 20 0 EHADMM COc1ccccc1[C@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)OC(C)C ZINC001599699452 991196522 /nfs/dbraw/zinc/19/65/22/991196522.db2.gz YRWBLJMPVNUKLY-UGSOOPFHSA-N -1 1 347.411 3.803 20 0 EHADMM CC(C)CN1Cc2cccc(NC(=O)c3ccsc3C(=O)[O-])c2C1 ZINC001591367055 992385353 /nfs/dbraw/zinc/38/53/53/992385353.db2.gz KAGSGLIRFGKUQT-UHFFFAOYSA-N -1 1 344.436 3.670 20 0 EHADMM CO[C@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccccc1 ZINC000339847368 1015743595 /nfs/dbraw/zinc/74/35/95/1015743595.db2.gz NKMDLTMFQMKEPT-HNNXBMFYSA-N -1 1 347.827 3.540 20 0 EHADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cncc([O-])c1 ZINC000339879377 1015806354 /nfs/dbraw/zinc/80/63/54/1015806354.db2.gz FDLJJPJEYGQQBC-VIFPVBQESA-N -1 1 325.195 3.927 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(/C=C/C(=O)[O-])o1)[C@H]2C ZINC001599626903 994161123 /nfs/dbraw/zinc/16/11/23/994161123.db2.gz OBLMZJJIGCBENB-CYUPMTOZSA-N -1 1 341.407 3.894 20 0 EHADMM COc1ccc2cc(CNCc3cc(C)c(C(=O)[O-])o3)ccc2c1 ZINC001599634882 994272251 /nfs/dbraw/zinc/27/22/51/994272251.db2.gz VXIHFPBMKSTWOC-UHFFFAOYSA-N -1 1 325.364 3.738 20 0 EHADMM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2ccc(Cl)cc2F)c1 ZINC001599650906 994497312 /nfs/dbraw/zinc/49/73/12/994497312.db2.gz QBQVVYVEIZHMOG-INIZCTEOSA-N -1 1 337.778 3.745 20 0 EHADMM COc1cccc([C@@H](N[C@H](C)c2cc(Cl)ccc2F)C(=O)[O-])c1 ZINC001599659238 994630383 /nfs/dbraw/zinc/63/03/83/994630383.db2.gz JKJDSYORXQDKLH-QLJPJBMISA-N -1 1 337.778 3.964 20 0 EHADMM CCCCn1ccnc1-c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000339909888 1015888165 /nfs/dbraw/zinc/88/81/65/1015888165.db2.gz WILIOGFVFSWKJQ-UHFFFAOYSA-N -1 1 336.395 3.703 20 0 EHADMM C[C@@H](Oc1ccccc1CN(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001593644788 995966494 /nfs/dbraw/zinc/96/64/94/995966494.db2.gz MYHJVVXWXBEXTI-CYBMUJFWSA-N -1 1 333.815 3.824 20 0 EHADMM C[C@H](Oc1ccccc1CN[C@@H]1CCc2cc(Cl)ccc21)C(=O)[O-] ZINC001593649585 996004156 /nfs/dbraw/zinc/00/41/56/996004156.db2.gz WUCBNGBVZUQDDX-YVEFUNNKSA-N -1 1 345.826 3.969 20 0 EHADMM COC[C@@H](NCc1cc(C(=O)[O-])sc1C)c1ccc(Cl)cc1 ZINC001599177652 996881506 /nfs/dbraw/zinc/88/15/06/996881506.db2.gz RTPUBUQHXABRFJ-CQSZACIVSA-N -1 1 339.844 3.885 20 0 EHADMM COc1cc(C)c([C@H](C)N[C@H](C)c2ccc(C(=O)[O-])o2)cc1OC ZINC001599390774 997031318 /nfs/dbraw/zinc/03/13/18/997031318.db2.gz OEPNIQHZWXDTCW-NWDGAFQWSA-N -1 1 333.384 3.715 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN([C@H](C)c1cccc(C)c1)CC2 ZINC001599497958 997052928 /nfs/dbraw/zinc/05/29/28/997052928.db2.gz NATCSGSPRXCBQO-CQSZACIVSA-N -1 1 325.408 3.821 20 0 EHADMM COc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599421522 997603177 /nfs/dbraw/zinc/60/31/77/997603177.db2.gz VRZZQXUENLVKHY-MRXNPFEDSA-N -1 1 337.778 3.712 20 0 EHADMM COc1ccc(C)cc1[C@H](C)NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599535903 997744263 /nfs/dbraw/zinc/74/42/63/997744263.db2.gz JBOXLTSRRYYTGK-AWEZNQCLSA-N -1 1 342.439 3.690 20 0 EHADMM CC1=C[C@H](C)CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001594109388 998191823 /nfs/dbraw/zinc/19/18/23/998191823.db2.gz GDBTXAXDOUTMCN-LBPRGKRZSA-N -1 1 328.437 3.906 20 0 EHADMM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001594213183 998822927 /nfs/dbraw/zinc/82/29/27/998822927.db2.gz CANQMQHNKUARTD-NWDGAFQWSA-N -1 1 344.377 3.685 20 0 EHADMM C[C@@H](CSCc1ccccc1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000178520878 1016707210 /nfs/dbraw/zinc/70/72/10/1016707210.db2.gz YMCQCSUJRQPSKM-LBPRGKRZSA-N -1 1 342.424 3.573 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccsc2)c1 ZINC000182919863 1032150112 /nfs/dbraw/zinc/15/01/12/1032150112.db2.gz MDWWUGNKGTXENH-UHFFFAOYSA-N -1 1 326.215 3.706 20 0 EHADMM CC(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000180331189 1016896887 /nfs/dbraw/zinc/89/68/87/1016896887.db2.gz CQTQNOVTHTWSTG-UHFFFAOYSA-N -1 1 338.285 3.622 20 0 EHADMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[n-]1 ZINC001625887994 1016996094 /nfs/dbraw/zinc/99/60/94/1016996094.db2.gz PVAYXKAAHLFSSN-MGPQQGTHSA-N -1 1 346.427 3.549 20 0 EHADMM CN(CC1=CCSC1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000659805333 1017051831 /nfs/dbraw/zinc/05/18/31/1017051831.db2.gz QGCJQVAVWQFXOU-ZDUSSCGKSA-N -1 1 332.252 3.724 20 0 EHADMM C[C@@H](c1ccc(Cl)cc1Cl)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000343749483 1032166024 /nfs/dbraw/zinc/16/60/24/1032166024.db2.gz XMBUGBVTHJYCHD-VIFPVBQESA-N -1 1 341.242 3.758 20 0 EHADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000461229303 1032330118 /nfs/dbraw/zinc/33/01/18/1032330118.db2.gz ZFMHOSLNMSLELB-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM CC[C@H](C)Oc1cc(C=Cc2ncc(OC)c(=O)[n-]2)ccc1OC ZINC000905076961 1032345669 /nfs/dbraw/zinc/34/56/69/1032345669.db2.gz PEJOFJDJLWDWRQ-CRALRDPISA-N -1 1 330.384 3.547 20 0 EHADMM Cc1c(C(=O)[O-])cnn1C1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000584415916 1032476822 /nfs/dbraw/zinc/47/68/22/1032476822.db2.gz CVOPXFPOVNMYCU-NSHDSACASA-N -1 1 349.381 3.566 20 0 EHADMM Cc1cnc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c([O-])c1 ZINC000460123213 1032599897 /nfs/dbraw/zinc/59/98/97/1032599897.db2.gz BMKZHBRYXTTXQZ-UHFFFAOYSA-N -1 1 342.414 3.862 20 0 EHADMM CCn1c(CC2CC2)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000460188418 1032677414 /nfs/dbraw/zinc/67/74/14/1032677414.db2.gz MDDRSNRWQQGWOF-YVEFUNNKSA-N -1 1 348.878 3.514 20 0 EHADMM CC(C)(C)c1ccc(CN=c2[n-]ncn2Cc2ccccc2)s1 ZINC000547961254 1017676283 /nfs/dbraw/zinc/67/62/83/1017676283.db2.gz GWIWICSGAWLGQU-UHFFFAOYSA-N -1 1 326.469 3.719 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)cc1 ZINC000064374063 1017816158 /nfs/dbraw/zinc/81/61/58/1017816158.db2.gz OWRRNKHXOINOTL-UHFFFAOYSA-N -1 1 349.452 3.921 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000564803245 1018139568 /nfs/dbraw/zinc/13/95/68/1018139568.db2.gz QDYPOXPGVGIRQF-CYBMUJFWSA-N -1 1 327.380 3.634 20 0 EHADMM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]c1cccc(C2CC2)n1 ZINC000580037325 1018416505 /nfs/dbraw/zinc/41/65/05/1018416505.db2.gz BVVZHQGRTYWBJP-UHFFFAOYSA-N -1 1 338.379 3.839 20 0 EHADMM O=C(NCc1cccc(-c2cccnc2)c1)c1c(F)ccc([O-])c1F ZINC000377904337 1018536957 /nfs/dbraw/zinc/53/69/57/1018536957.db2.gz FOYQUEQSWWKPHW-UHFFFAOYSA-N -1 1 340.329 3.662 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000035954998 1018565561 /nfs/dbraw/zinc/56/55/61/1018565561.db2.gz ZVXPUMFZQGFBLT-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM O=C([N-]c1nnc(C2CC2)s1)c1cc(-c2cccc(Cl)c2)on1 ZINC000030038972 1018814023 /nfs/dbraw/zinc/81/40/23/1018814023.db2.gz COFDDCMXSBBAHR-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM O=C1[N-]C(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000064925530 1018970475 /nfs/dbraw/zinc/97/04/75/1018970475.db2.gz GYVQBOJWDRGGIW-YWEYNIOJSA-N -1 1 332.309 3.525 20 0 EHADMM CC(F)(F)C(C)(C)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000656186334 1019121101 /nfs/dbraw/zinc/12/11/01/1019121101.db2.gz SREKCQVGKNILID-UHFFFAOYSA-N -1 1 345.333 3.559 20 0 EHADMM O=C([O-])[C@H]1C[C@H](NCc2ncccc2C(F)(F)F)c2ccccc21 ZINC000669478909 1032811647 /nfs/dbraw/zinc/81/16/47/1032811647.db2.gz DZMHLDUEYZWNPD-JSGCOSHPSA-N -1 1 336.313 3.503 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c(C)c1 ZINC000471570646 1019248813 /nfs/dbraw/zinc/24/88/13/1019248813.db2.gz PDQWQVAVNXVASW-UHFFFAOYSA-N -1 1 344.436 3.686 20 0 EHADMM CN(C(=O)c1csc(=NC2CC2)[n-]1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458023940 1019422869 /nfs/dbraw/zinc/42/28/69/1019422869.db2.gz JMMPTFSQYHYGPE-NVXWUHKLSA-N -1 1 341.480 3.548 20 0 EHADMM CCOc1ccc(F)c([N-]C(=O)c2noc3c2C[C@H](C)CC3)c1F ZINC000433851716 1019706186 /nfs/dbraw/zinc/70/61/86/1019706186.db2.gz DAEOCHYNKPXOCC-SECBINFHSA-N -1 1 336.338 3.729 20 0 EHADMM C[C@H]1CCc2onc(C(=O)[N-]c3c(F)cc(Cl)cc3F)c2C1 ZINC000433848908 1019716102 /nfs/dbraw/zinc/71/61/02/1019716102.db2.gz YSBJDFWOHNKDRN-ZETCQYMHSA-N -1 1 326.730 3.983 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n[nH]1 ZINC000760317603 1032849850 /nfs/dbraw/zinc/84/98/50/1032849850.db2.gz KAWSJCXYPHTJHJ-ZWLSGLHFSA-N -1 1 337.420 3.865 20 0 EHADMM CC[C@@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580779059 1020004130 /nfs/dbraw/zinc/00/41/30/1020004130.db2.gz VYPNTYAPMRDIPX-HIFRSBDPSA-N -1 1 344.224 3.836 20 0 EHADMM CC[C@@]1(C)CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580779059 1020004142 /nfs/dbraw/zinc/00/41/42/1020004142.db2.gz VYPNTYAPMRDIPX-HIFRSBDPSA-N -1 1 344.224 3.836 20 0 EHADMM O=c1[nH]c(-c2cc([O-])cc(F)c2)nc2ccc(Br)cc12 ZINC000345187942 1020039167 /nfs/dbraw/zinc/03/91/67/1020039167.db2.gz JHUONBITEUJAJY-UHFFFAOYSA-N -1 1 335.132 3.610 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Br)ccc1Cl ZINC000263462611 1020398178 /nfs/dbraw/zinc/39/81/78/1020398178.db2.gz CBWBTUUCSGHYBQ-ZJUUUORDSA-N -1 1 346.652 3.788 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1 ZINC000340907677 1020583454 /nfs/dbraw/zinc/58/34/54/1020583454.db2.gz BVAMARHRAAWKNC-UHFFFAOYSA-N -1 1 349.452 3.559 20 0 EHADMM C[C@@H]1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C[C@H]1C(=O)[O-] ZINC000581250164 1020584841 /nfs/dbraw/zinc/58/48/41/1020584841.db2.gz AHKMZTUJSLSNJV-ZYHUDNBSSA-N -1 1 345.270 3.602 20 0 EHADMM Cc1ccc(-c2ccc(C[N@@H+](Cc3n[nH]c(=O)[n-]3)C(C)C)s2)cc1 ZINC000340943628 1020661796 /nfs/dbraw/zinc/66/17/96/1020661796.db2.gz UGTTZUAHLTYGCG-UHFFFAOYSA-N -1 1 342.468 3.958 20 0 EHADMM Cc1ccc(-c2ccc(CN(Cc3n[nH]c(=O)[n-]3)C(C)C)s2)cc1 ZINC000340943628 1020661800 /nfs/dbraw/zinc/66/18/00/1020661800.db2.gz UGTTZUAHLTYGCG-UHFFFAOYSA-N -1 1 342.468 3.958 20 0 EHADMM O=C([O-])C[C@@H](NCc1cccc(OC2CC2)c1F)c1cccs1 ZINC000656574757 1020938893 /nfs/dbraw/zinc/93/88/93/1020938893.db2.gz YFYDPNBLBXPLSR-CYBMUJFWSA-N -1 1 335.400 3.734 20 0 EHADMM C[C@@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1cccc2ccccc21 ZINC000607052460 1032957059 /nfs/dbraw/zinc/95/70/59/1032957059.db2.gz QFVBMMHKGARTBK-GFCCVEGCSA-N -1 1 337.448 3.784 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000439121986 1021165825 /nfs/dbraw/zinc/16/58/25/1021165825.db2.gz WKWJVVKSKLMCST-GHMZBOCLSA-N -1 1 345.374 3.581 20 0 EHADMM CCCCc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436770696 1021219970 /nfs/dbraw/zinc/21/99/70/1021219970.db2.gz PZQMFTNKYLHHDO-UHFFFAOYSA-N -1 1 341.205 3.946 20 0 EHADMM CC(C)(NC(=O)c1ccc(Cl)cc1[O-])c1cc(C(F)(F)F)on1 ZINC000436787598 1021229354 /nfs/dbraw/zinc/22/93/54/1021229354.db2.gz XLQUOSBNDKJLBL-UHFFFAOYSA-N -1 1 348.708 3.718 20 0 EHADMM CC(C)N(Cc1cccnc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436795683 1021240107 /nfs/dbraw/zinc/24/01/07/1021240107.db2.gz ZKKKIYIEQJNXGC-UHFFFAOYSA-N -1 1 338.329 3.857 20 0 EHADMM CC(C)NC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436809538 1021256009 /nfs/dbraw/zinc/25/60/09/1021256009.db2.gz UFPZTRQXXJHVCS-UHFFFAOYSA-N -1 1 348.402 3.936 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(C(F)F)c2)C1 ZINC000656756089 1021277148 /nfs/dbraw/zinc/27/71/48/1021277148.db2.gz BJTQNFNXIGAZPV-NEPJUHHUSA-N -1 1 337.288 3.709 20 0 EHADMM COC1CCC(C)(CNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436856919 1021283189 /nfs/dbraw/zinc/28/31/89/1021283189.db2.gz ZUCRNFRDTDESPG-UHFFFAOYSA-N -1 1 327.424 3.871 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(F)ccc3-n3cccn3)n2)cc1F ZINC000436871331 1021310561 /nfs/dbraw/zinc/31/05/61/1021310561.db2.gz HBZJRWWAIJFZKN-UHFFFAOYSA-N -1 1 340.289 3.573 20 0 EHADMM [O-]c1ccc(-c2noc(C3CCC(OC(F)F)CC3)n2)c(F)c1 ZINC000436873550 1021315270 /nfs/dbraw/zinc/31/52/70/1021315270.db2.gz NFDZOZKDIRVHJY-UHFFFAOYSA-N -1 1 328.290 3.847 20 0 EHADMM CC(C)n1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1C1CC1 ZINC000436874472 1021319951 /nfs/dbraw/zinc/31/99/51/1021319951.db2.gz QYBWBOFHWNEZSY-UHFFFAOYSA-N -1 1 328.347 3.903 20 0 EHADMM CCOc1cc(-c2noc(-c3ccnc(C)c3)n2)cc(Cl)c1[O-] ZINC000436875551 1021322506 /nfs/dbraw/zinc/32/25/06/1021322506.db2.gz YDLPYGXITOOPMM-UHFFFAOYSA-N -1 1 331.759 3.865 20 0 EHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2ncccn2)no1 ZINC000436895867 1021359038 /nfs/dbraw/zinc/35/90/38/1021359038.db2.gz ZGPYSRAEWAQAKE-UHFFFAOYSA-N -1 1 332.319 3.692 20 0 EHADMM C=Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000436917276 1021371225 /nfs/dbraw/zinc/37/12/25/1021371225.db2.gz CQURNUVJPDKOKG-UHFFFAOYSA-N -1 1 340.770 3.726 20 0 EHADMM C=Cc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436917276 1021371244 /nfs/dbraw/zinc/37/12/44/1021371244.db2.gz CQURNUVJPDKOKG-UHFFFAOYSA-N -1 1 340.770 3.726 20 0 EHADMM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436937588 1021398367 /nfs/dbraw/zinc/39/83/67/1021398367.db2.gz GHBDFLFUOUHGAJ-KXBFYZLASA-N -1 1 337.419 3.883 20 0 EHADMM O=C(C(=O)N1CCC[C@H]1CCCc1ccccc1)c1ccc([O-])cc1 ZINC000436962399 1021409937 /nfs/dbraw/zinc/40/99/37/1021409937.db2.gz LRJZFHZMPRXINF-GOSISDBHSA-N -1 1 337.419 3.589 20 0 EHADMM CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436965734 1021414396 /nfs/dbraw/zinc/41/43/96/1021414396.db2.gz OFRALTGNOHGFRE-UHFFFAOYSA-N -1 1 345.398 3.901 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000078805577 1021608551 /nfs/dbraw/zinc/60/85/51/1021608551.db2.gz GGLZFFGOUAFOAS-UHFFFAOYSA-N -1 1 347.418 3.706 20 0 EHADMM O=S(=O)([N-]c1ccccc1F)c1ccccc1OC(F)(F)F ZINC000142056228 1021617457 /nfs/dbraw/zinc/61/74/57/1021617457.db2.gz VWKNJCZTFCUPQR-UHFFFAOYSA-N -1 1 335.278 3.525 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000519794100 1021679981 /nfs/dbraw/zinc/67/99/81/1021679981.db2.gz YPKMSFUWMQEJHX-UHFFFAOYSA-N -1 1 327.352 3.824 20 0 EHADMM CCOc1ccc(-c2nc(CN(C)CCCC(=O)[O-])cs2)cc1 ZINC000430659144 1021798579 /nfs/dbraw/zinc/79/85/79/1021798579.db2.gz LGZCKHSMFRVFHG-UHFFFAOYSA-N -1 1 334.441 3.505 20 0 EHADMM CCOc1ccc(F)c([N-]C(=O)c2ccc(Br)o2)c1F ZINC000536282169 1022394178 /nfs/dbraw/zinc/39/41/78/1022394178.db2.gz VACISHVKFDIQLT-UHFFFAOYSA-N -1 1 346.127 3.971 20 0 EHADMM O=c1cc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc[n-]1 ZINC000891763253 1022586360 /nfs/dbraw/zinc/58/63/60/1022586360.db2.gz SYVVHCOTMWXWJB-RNFRBKRXSA-N -1 1 329.244 3.504 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000111665981 1022697513 /nfs/dbraw/zinc/69/75/13/1022697513.db2.gz KFVQLAJIMMFHKR-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM Cc1ccc(F)cc1NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000039549013 1033086161 /nfs/dbraw/zinc/08/61/61/1033086161.db2.gz SOEIHISRMDWSRP-UHFFFAOYSA-N -1 1 348.428 3.755 20 0 EHADMM CC(C)c1nn(-c2ccccc2)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000426697006 1022968582 /nfs/dbraw/zinc/96/85/82/1022968582.db2.gz RLFQZJSLDXQRSU-UHFFFAOYSA-N -1 1 349.434 3.984 20 0 EHADMM Cc1ccc([C@@H](NCc2ccccc2Br)C(=O)[O-])cc1 ZINC000426700184 1022970588 /nfs/dbraw/zinc/97/05/88/1022970588.db2.gz ONVBVRYIANPGBZ-OAHLLOKOSA-N -1 1 334.213 3.673 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(Br)c2)o1 ZINC000426792047 1023049869 /nfs/dbraw/zinc/04/98/69/1023049869.db2.gz LBJFJUFGZYFVLW-CYBMUJFWSA-N -1 1 338.201 3.656 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc3cc(F)ccc3o2)c1 ZINC000426790584 1023050568 /nfs/dbraw/zinc/05/05/68/1023050568.db2.gz DUSDDUMTDLDGSJ-KRWDZBQOSA-N -1 1 343.354 3.886 20 0 EHADMM CCc1nnc([N-]C(=O)c2cc(F)c(C(F)(F)F)cc2F)s1 ZINC000341105222 1023066120 /nfs/dbraw/zinc/06/61/20/1023066120.db2.gz UHSKXLBLGQMOGW-UHFFFAOYSA-N -1 1 337.273 3.650 20 0 EHADMM CC(C)(C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(F)cc1 ZINC000426201645 1023082165 /nfs/dbraw/zinc/08/21/65/1023082165.db2.gz PUQQGGBWIBLISL-UHFFFAOYSA-N -1 1 329.400 3.616 20 0 EHADMM Cc1cnc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)c([O-])c1 ZINC000427008107 1023155850 /nfs/dbraw/zinc/15/58/50/1023155850.db2.gz KQAGFYWOZYATIS-UHFFFAOYSA-N -1 1 328.387 3.820 20 0 EHADMM Cc1oc(C(C)C)nc1C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000507178033 1023164744 /nfs/dbraw/zinc/16/47/44/1023164744.db2.gz UAJGPEJRZIBVIT-UHFFFAOYSA-N -1 1 342.374 3.618 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1 ZINC000427097867 1023219637 /nfs/dbraw/zinc/21/96/37/1023219637.db2.gz XNYDKKZEYWLDJF-UHFFFAOYSA-N -1 1 346.433 3.608 20 0 EHADMM Cc1c2ccccc2nc(CN2CCc3sccc3C2)c1C(=O)[O-] ZINC000582008587 1023518082 /nfs/dbraw/zinc/51/80/82/1023518082.db2.gz SDEWMHIPIJDUNJ-UHFFFAOYSA-N -1 1 338.432 3.861 20 0 EHADMM COc1ccc([C@H](NCc2ccc(F)cc2Cl)C(=O)[O-])cc1F ZINC000426820269 1023569166 /nfs/dbraw/zinc/56/91/66/1023569166.db2.gz KUXZCSMFGUXGRJ-HNNXBMFYSA-N -1 1 341.741 3.542 20 0 EHADMM CN(C)c1cccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000094156080 1024233639 /nfs/dbraw/zinc/23/36/39/1024233639.db2.gz RGLMXAFKVBSLJD-QGZVFWFLSA-N -1 1 328.387 3.575 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000029043860 1024331301 /nfs/dbraw/zinc/33/13/01/1024331301.db2.gz GTFXNMQEFZNWNR-UHFFFAOYSA-N -1 1 347.436 3.725 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cc(F)ccc2OC(F)F)n1 ZINC000657256582 1024372576 /nfs/dbraw/zinc/37/25/76/1024372576.db2.gz HRHARIRQICVVGY-UHFFFAOYSA-N -1 1 330.331 3.777 20 0 EHADMM CCCc1ccc(C(=O)CSc2nc(CC)c(C)c(=O)[n-]2)cc1 ZINC000657263745 1024424865 /nfs/dbraw/zinc/42/48/65/1024424865.db2.gz ZSQMEGITULXTGU-UHFFFAOYSA-N -1 1 330.453 3.981 20 0 EHADMM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccccc1[O-] ZINC000113821804 1024463609 /nfs/dbraw/zinc/46/36/09/1024463609.db2.gz UJVXKXIEBRNFIF-UHFFFAOYSA-N -1 1 329.249 3.725 20 0 EHADMM CCCCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000277326215 1024620326 /nfs/dbraw/zinc/62/03/26/1024620326.db2.gz OCHHIDRQOHYNTM-UHFFFAOYSA-N -1 1 328.412 3.557 20 0 EHADMM O=C(NCC1(Cc2ccccc2)CCC1)c1c(F)ccc([O-])c1F ZINC000281127481 1024680959 /nfs/dbraw/zinc/68/09/59/1024680959.db2.gz YBFAWYNCPJDCHS-UHFFFAOYSA-N -1 1 331.362 3.813 20 0 EHADMM COc1cc(C(=O)N[C@H](C)CCCC(F)(F)F)cc(Cl)c1[O-] ZINC000427796666 1024787057 /nfs/dbraw/zinc/78/70/57/1024787057.db2.gz KKZBXGMYRYGRHI-MRVPVSSYSA-N -1 1 339.741 3.905 20 0 EHADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000508034137 1024843482 /nfs/dbraw/zinc/84/34/82/1024843482.db2.gz YFOUUFWCZUNASH-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM CN(Cc1ccc(Cl)nc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000120962857 1024926839 /nfs/dbraw/zinc/92/68/39/1024926839.db2.gz SPTJJYVAGFKLLO-UHFFFAOYSA-N -1 1 326.783 3.866 20 0 EHADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1 ZINC000474425090 1024942587 /nfs/dbraw/zinc/94/25/87/1024942587.db2.gz IQMSWKNBENMOLB-UHFFFAOYSA-N -1 1 349.456 3.657 20 0 EHADMM COc1ccc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)o1 ZINC001126437723 1025189953 /nfs/dbraw/zinc/18/99/53/1025189953.db2.gz GGXMADAGBRVSDL-UHFFFAOYSA-N -1 1 347.421 3.781 20 0 EHADMM CCC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000505721366 1025205032 /nfs/dbraw/zinc/20/50/32/1025205032.db2.gz YZLFNVBIZBZTGQ-HNNXBMFYSA-N -1 1 327.380 3.701 20 0 EHADMM CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000896224922 1025257585 /nfs/dbraw/zinc/25/75/85/1025257585.db2.gz RVUHZSKXNKASJN-CYBMUJFWSA-N -1 1 347.390 3.681 20 0 EHADMM CCOc1cc(-c2noc(/C=C/[C@H]3CCOC3)n2)cc(Cl)c1[O-] ZINC000515462380 1025259967 /nfs/dbraw/zinc/25/99/67/1025259967.db2.gz HUJHFQQHXGFAGF-FSIBCCDJSA-N -1 1 336.775 3.544 20 0 EHADMM C[C@H]1C[C@@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000665449437 1025421631 /nfs/dbraw/zinc/42/16/31/1025421631.db2.gz MANRDYXEAGPGTK-WDSKDSINSA-N -1 1 349.022 3.512 20 0 EHADMM CC(C)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)NC1CCCCC1 ZINC000436239180 1025485542 /nfs/dbraw/zinc/48/55/42/1025485542.db2.gz HIEWVPGXHKYDGK-MRXNPFEDSA-N -1 1 349.500 3.625 20 0 EHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000436478642 1025754979 /nfs/dbraw/zinc/75/49/79/1025754979.db2.gz NHWLIYXNVUBZFT-UHFFFAOYSA-N -1 1 331.393 3.638 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)CC[C@@H](C)c2ccccc2)c1 ZINC000436514946 1025811372 /nfs/dbraw/zinc/81/13/72/1025811372.db2.gz RAMFZOUOUMLKAH-CYBMUJFWSA-N -1 1 327.380 3.701 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000436501968 1025817378 /nfs/dbraw/zinc/81/73/78/1025817378.db2.gz CASGXKIQJSWFHT-UHFFFAOYSA-N -1 1 340.162 3.738 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)c2ccccc2C)c1 ZINC000436516161 1025849522 /nfs/dbraw/zinc/84/95/22/1025849522.db2.gz UTHWUOUYDQZGGZ-ZDUSSCGKSA-N -1 1 327.380 3.620 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)c([O-])c1 ZINC000436548715 1025852469 /nfs/dbraw/zinc/85/24/69/1025852469.db2.gz ULDURXKLMRMUKC-UHFFFAOYSA-N -1 1 331.319 3.638 20 0 EHADMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc(F)ccc1[O-] ZINC000436539996 1025867896 /nfs/dbraw/zinc/86/78/96/1025867896.db2.gz XGOHDUBLZCQLNN-UHFFFAOYSA-N -1 1 338.338 3.649 20 0 EHADMM O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1cc(F)ccc1[O-] ZINC000436565280 1025892067 /nfs/dbraw/zinc/89/20/67/1025892067.db2.gz UXBNTQOMUQCVAS-CYBMUJFWSA-N -1 1 327.277 3.955 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)c([O-])c1 ZINC000436577341 1025896481 /nfs/dbraw/zinc/89/64/81/1025896481.db2.gz OHHXXUKFQYVZFO-UHFFFAOYSA-N -1 1 325.286 3.980 20 0 EHADMM CCc1ccnc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)c1 ZINC000436593915 1025911976 /nfs/dbraw/zinc/91/19/76/1025911976.db2.gz FCQUFCCAOVYHOW-UHFFFAOYSA-N -1 1 331.759 3.729 20 0 EHADMM Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436630044 1025958241 /nfs/dbraw/zinc/95/82/41/1025958241.db2.gz YVEVYFJIRHOXCD-UHFFFAOYSA-N -1 1 332.359 3.584 20 0 EHADMM Cc1ccc2c(c1)CN(C(=O)c1cc3ccccc3cc1[O-])CCO2 ZINC000436655239 1025986518 /nfs/dbraw/zinc/98/65/18/1025986518.db2.gz FLAKFQUCFYGQST-UHFFFAOYSA-N -1 1 333.387 3.889 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2C)c1 ZINC000443404483 1026000331 /nfs/dbraw/zinc/00/03/31/1026000331.db2.gz SLRWJKBRLBQGRJ-UHFFFAOYSA-N -1 1 335.425 3.593 20 0 EHADMM O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(O)cc1[O-] ZINC000436669431 1026011374 /nfs/dbraw/zinc/01/13/74/1026011374.db2.gz LHPMUDYWVPFNDQ-UHFFFAOYSA-N -1 1 333.343 3.581 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1sccc1Cl ZINC000451503917 1026020224 /nfs/dbraw/zinc/02/02/24/1026020224.db2.gz RYCWQBRMQFCQIK-MRVPVSSYSA-N -1 1 329.821 3.505 20 0 EHADMM COc1cc(-c2nc3cnccc3s2)cc(Br)c1[O-] ZINC000436658231 1026019043 /nfs/dbraw/zinc/01/90/43/1026019043.db2.gz SVPAEIBYAXERIM-UHFFFAOYSA-N -1 1 337.198 3.835 20 0 EHADMM COCCOc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436682383 1026036590 /nfs/dbraw/zinc/03/65/90/1026036590.db2.gz VFSKUULCCIQIQD-UHFFFAOYSA-N -1 1 329.396 3.793 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC=C(c2ccncc2)C1 ZINC000436708989 1026049571 /nfs/dbraw/zinc/04/95/71/1026049571.db2.gz WTHFMCPOPRCLQL-UHFFFAOYSA-N -1 1 330.387 3.870 20 0 EHADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(Cl)c1Cl ZINC000436700252 1026062338 /nfs/dbraw/zinc/06/23/38/1026062338.db2.gz UHMDUNNIZQDPPL-VIFPVBQESA-N -1 1 338.190 3.759 20 0 EHADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)c2ccc([O-])cc2)o1 ZINC000436706145 1026069045 /nfs/dbraw/zinc/06/90/45/1026069045.db2.gz UOYVMFJCRDSUNM-DYVFJYSZSA-N -1 1 341.407 3.730 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(F)ccc1[O-])[C@@H]2C ZINC000436712930 1026082668 /nfs/dbraw/zinc/08/26/68/1026082668.db2.gz IFPITISGHXUETJ-NWDGAFQWSA-N -1 1 329.371 3.688 20 0 EHADMM O=C(NCc1cc(-c2ccccc2)no1)c1ccc(Cl)cc1[O-] ZINC000436719509 1026091509 /nfs/dbraw/zinc/09/15/09/1026091509.db2.gz BGKUWTQXHOJYNV-UHFFFAOYSA-N -1 1 328.755 3.631 20 0 EHADMM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436721268 1026096419 /nfs/dbraw/zinc/09/64/19/1026096419.db2.gz WPSUWOUYFZHOHP-UHFFFAOYSA-N -1 1 340.206 3.980 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000436737911 1026105226 /nfs/dbraw/zinc/10/52/26/1026105226.db2.gz KMEVTAUDXBWCPY-MPKXVKKWSA-N -1 1 338.245 3.805 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c([O-])c1 ZINC000436754351 1026143939 /nfs/dbraw/zinc/14/39/39/1026143939.db2.gz IDQCDLDLOMLHTQ-UHFFFAOYSA-N -1 1 338.407 3.660 20 0 EHADMM CC=CC=CC(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C2CC2)s1 ZINC000104281141 1026210400 /nfs/dbraw/zinc/21/04/00/1026210400.db2.gz BLOPCYWZOVPCRH-VNKDHWASSA-N -1 1 347.469 3.778 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1cc2ccccc2o1 ZINC000530770956 1026280968 /nfs/dbraw/zinc/28/09/68/1026280968.db2.gz IEWKSAMFVTZWLH-UHFFFAOYSA-N -1 1 327.405 3.791 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC(OCC2CCCCC2)CC1 ZINC000530952898 1026441807 /nfs/dbraw/zinc/44/18/07/1026441807.db2.gz JEKQOGIGBYIMJL-UHFFFAOYSA-N -1 1 335.419 3.733 20 0 EHADMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc3ccccc3o2)s1 ZINC000531009801 1026479994 /nfs/dbraw/zinc/47/99/94/1026479994.db2.gz ORLNUCRNLWMSNY-LLVKDONJSA-N -1 1 335.450 3.712 20 0 EHADMM O=c1[n-]c(Oc2cc(F)cc(F)c2)nc2c1cnn2-c1ccccc1 ZINC000301406978 1026795233 /nfs/dbraw/zinc/79/52/33/1026795233.db2.gz MIXJMLDTJWFJRW-UHFFFAOYSA-N -1 1 340.289 3.592 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)c(C)c1 ZINC000414456224 1027543130 /nfs/dbraw/zinc/54/31/30/1027543130.db2.gz IPMZBCLGYNLQGL-UHFFFAOYSA-N -1 1 334.441 3.515 20 0 EHADMM Cc1nc(-c2ccc(N3CCC[C@H](C(C)C)CC3)nc2)[n-]c(=O)c1C ZINC000078261590 1027575460 /nfs/dbraw/zinc/57/54/60/1027575460.db2.gz RXHJDOAXFLYEOS-INIZCTEOSA-N -1 1 340.471 3.711 20 0 EHADMM C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@@H]1c1ccccc1 ZINC000129734600 1027598297 /nfs/dbraw/zinc/59/82/97/1027598297.db2.gz SUDCNRPJQAVMRN-HIFRSBDPSA-N -1 1 339.464 3.610 20 0 EHADMM O=C(Nc1cccc(Br)c1)c1c(F)ccc([O-])c1F ZINC000503219123 1027661071 /nfs/dbraw/zinc/66/10/71/1027661071.db2.gz MHLFUMSXHRDPGX-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=C([N-]CCCN1CC2(CCCC2)c2c1cccc2F)C(F)(F)F ZINC001168073540 1027686994 /nfs/dbraw/zinc/68/69/94/1027686994.db2.gz LVIZNWWRSHWIAI-UHFFFAOYSA-N -1 1 344.352 3.526 20 0 EHADMM O=C(N[C@H]1CCc2ccccc21)c1ccc(Br)c([O-])c1 ZINC000132957543 1027983912 /nfs/dbraw/zinc/98/39/12/1027983912.db2.gz DRPUXZSQWHDKDI-AWEZNQCLSA-N -1 1 332.197 3.572 20 0 EHADMM COc1ccc([C@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000133009421 1027990585 /nfs/dbraw/zinc/99/05/85/1027990585.db2.gz BGIFZHRICXEGGZ-ZDUSSCGKSA-N -1 1 331.799 3.684 20 0 EHADMM CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C(F)(F)F)c1)OC ZINC000421158531 1028137841 /nfs/dbraw/zinc/13/78/41/1028137841.db2.gz SHAFOXHXEIXNQG-NSHDSACASA-N -1 1 345.770 3.526 20 0 EHADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)cccc1SC ZINC000421161557 1028141160 /nfs/dbraw/zinc/14/11/60/1028141160.db2.gz XMRQHVQIFWGUSH-CYBMUJFWSA-N -1 1 331.503 3.520 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000533646300 1028253826 /nfs/dbraw/zinc/25/38/26/1028253826.db2.gz PTOQGYRPJPOLAA-UHFFFAOYSA-N -1 1 339.178 3.910 20 0 EHADMM CCn1c(C2CCN(C(=O)CCCC(C)(C)C)CC2)n[n-]c1=S ZINC000068453328 1028398783 /nfs/dbraw/zinc/39/87/83/1028398783.db2.gz CPAJTXCKIMCQDW-UHFFFAOYSA-N -1 1 338.521 3.883 20 0 EHADMM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000583013214 1028534504 /nfs/dbraw/zinc/53/45/04/1028534504.db2.gz BUFSYHXLIVWFAC-CQSZACIVSA-N -1 1 344.436 3.518 20 0 EHADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccc2ccccc21 ZINC000074272272 1028606414 /nfs/dbraw/zinc/60/64/14/1028606414.db2.gz UJARVHSJSFOZGR-ZDUSSCGKSA-N -1 1 343.386 3.567 20 0 EHADMM CCC1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CC1 ZINC000445388661 1028744074 /nfs/dbraw/zinc/74/40/74/1028744074.db2.gz CZBIEHQUJGQXNC-UHFFFAOYSA-N -1 1 339.189 3.655 20 0 EHADMM [O-]c1ccc(-c2noc(CCc3nc4ccccc4s3)n2)cc1F ZINC000445469314 1028813387 /nfs/dbraw/zinc/81/33/87/1028813387.db2.gz BIIPQAQLBJGJHC-UHFFFAOYSA-N -1 1 341.367 3.976 20 0 EHADMM COc1nc(-c2nc(-c3ccc([O-])cc3F)no2)cc2ccccc21 ZINC000445454899 1028820836 /nfs/dbraw/zinc/82/08/36/1028820836.db2.gz IHZCOWUWOCBJEK-UHFFFAOYSA-N -1 1 337.310 3.805 20 0 EHADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000619664491 1125378311 /nfs/dbraw/zinc/37/83/11/1125378311.db2.gz QYLFEUCULMCHCS-SSDOTTSWSA-N -1 1 342.675 3.971 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(-c4cccs4)on3)n2)cc1F ZINC000445478574 1028836548 /nfs/dbraw/zinc/83/65/48/1028836548.db2.gz HJVJLRIEXVALJW-UHFFFAOYSA-N -1 1 329.312 3.965 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccn(-c4ccc(F)cc4)n3)n2)cc1F ZINC000445480835 1028841657 /nfs/dbraw/zinc/84/16/57/1028841657.db2.gz KXHVUUFCWIEBPH-UHFFFAOYSA-N -1 1 340.289 3.573 20 0 EHADMM O=c1[n-]c(-c2nnc(-c3ccccc3)s2)nc2cc(F)c(F)cc12 ZINC000445489439 1028850481 /nfs/dbraw/zinc/85/04/81/1028850481.db2.gz YNNHGERQDMJMER-UHFFFAOYSA-N -1 1 342.330 3.799 20 0 EHADMM COc1cc(C(=O)N2CCCC[C@@H]2c2cccn2C)cc(Cl)c1[O-] ZINC000153935701 1028933041 /nfs/dbraw/zinc/93/30/41/1028933041.db2.gz UGWIIWMASLIXET-OAHLLOKOSA-N -1 1 348.830 3.760 20 0 EHADMM CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000524149270 1028940794 /nfs/dbraw/zinc/94/07/94/1028940794.db2.gz JGEAUUMPORDAMT-UHFFFAOYSA-N -1 1 329.771 3.683 20 0 EHADMM [O-]c1ccc(-c2noc(-c3csc([C@H]4CCCO4)n3)n2)cc1F ZINC000278095149 1028955824 /nfs/dbraw/zinc/95/58/24/1028955824.db2.gz HQDZDZNBNFOHDH-GFCCVEGCSA-N -1 1 333.344 3.556 20 0 EHADMM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881595 1028970178 /nfs/dbraw/zinc/97/01/78/1028970178.db2.gz ONSAZZNWJSCAIV-RYUDHWBXSA-N -1 1 349.818 3.638 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)cc1Cl ZINC000614879845 1029016634 /nfs/dbraw/zinc/01/66/34/1029016634.db2.gz RJNKFVABYZIODX-UHFFFAOYSA-N -1 1 340.832 3.631 20 0 EHADMM CC(C)(C)C1CC(NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000504897415 1029042754 /nfs/dbraw/zinc/04/27/54/1029042754.db2.gz IMNGSWRCMIDZHP-UHFFFAOYSA-N -1 1 326.234 3.709 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C1=CCCC1 ZINC001212083014 1029397177 /nfs/dbraw/zinc/39/71/77/1029397177.db2.gz VXKHZCIIPAAQNR-UHFFFAOYSA-N -1 1 349.283 3.803 20 0 EHADMM CCSc1ccc(-c2nc3cc(OC)cc(OC)c3c(=O)[n-]2)cc1 ZINC000446155277 1029455778 /nfs/dbraw/zinc/45/57/78/1029455778.db2.gz BQQLYGHZRDQEGX-UHFFFAOYSA-N -1 1 342.420 3.719 20 0 EHADMM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000286675382 1029532580 /nfs/dbraw/zinc/53/25/80/1029532580.db2.gz FRJIMULRXUQNLM-YOEHRIQHSA-N -1 1 327.424 3.701 20 0 EHADMM Cc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1N ZINC001211986609 1029555662 /nfs/dbraw/zinc/55/56/62/1029555662.db2.gz PCXHHLVPBCSEEV-UHFFFAOYSA-N -1 1 349.214 3.824 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)nc1 ZINC000446816267 1029799761 /nfs/dbraw/zinc/79/97/61/1029799761.db2.gz BBAQWUFALLESKF-UHFFFAOYSA-N -1 1 346.836 3.538 20 0 EHADMM O=S(=O)([N-]C1CCCC1)c1c(Cl)cccc1C(F)(F)F ZINC000151000516 1029851948 /nfs/dbraw/zinc/85/19/48/1029851948.db2.gz SQMMMBBMDOJQMP-UHFFFAOYSA-N -1 1 327.755 3.580 20 0 EHADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000532141413 1030446966 /nfs/dbraw/zinc/44/69/66/1030446966.db2.gz CJLSFIYFAXLIHX-UHFFFAOYSA-N -1 1 341.864 3.843 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1C ZINC000447789741 1030489189 /nfs/dbraw/zinc/48/91/89/1030489189.db2.gz UGPNLMJDZSQRAC-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC001211594443 1030497326 /nfs/dbraw/zinc/49/73/26/1030497326.db2.gz GSOMBXKAUOAQDA-VXGBXAGGSA-N -1 1 348.871 3.757 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cnn(-c2ccccc2Cl)c1 ZINC000532267145 1030515108 /nfs/dbraw/zinc/51/51/08/1030515108.db2.gz FBSNKZCMITUQFW-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1[O-] ZINC000532267181 1030515221 /nfs/dbraw/zinc/51/52/21/1030515221.db2.gz IGOMREDBMLUJAE-UHFFFAOYSA-N -1 1 330.142 3.856 20 0 EHADMM COc1cc(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)cc(Cl)c1[O-] ZINC000527203230 1030706055 /nfs/dbraw/zinc/70/60/55/1030706055.db2.gz HWADMUJBGAMSCE-LLVKDONJSA-N -1 1 347.798 3.790 20 0 EHADMM O=C(NCc1coc2ccccc12)c1ccc(Br)c([O-])c1 ZINC000343405376 1030724928 /nfs/dbraw/zinc/72/49/28/1030724928.db2.gz PDQYIUFWYDMJDX-UHFFFAOYSA-N -1 1 346.180 3.831 20 0 EHADMM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(O)cc1[O-] ZINC000194239729 1030753691 /nfs/dbraw/zinc/75/36/91/1030753691.db2.gz KOLAXYLSAWCEOV-UHFFFAOYSA-N -1 1 347.783 3.522 20 0 EHADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000343421027 1030793264 /nfs/dbraw/zinc/79/32/64/1030793264.db2.gz MEDAFEIZKUOWEL-STQMWFEESA-N -1 1 331.362 3.997 20 0 EHADMM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cncc([O-])c2)cc1 ZINC000115717709 1030911113 /nfs/dbraw/zinc/91/11/13/1030911113.db2.gz XBENSIPHVQEDQB-UHFFFAOYSA-N -1 1 342.439 3.527 20 0 EHADMM CC1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2Br)CC1 ZINC000090252754 1031289826 /nfs/dbraw/zinc/28/98/26/1031289826.db2.gz DOMUUWDVRNASKI-UHFFFAOYSA-N -1 1 346.652 3.789 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)cc(OC)c1C(C)C ZINC000484199870 1031496854 /nfs/dbraw/zinc/49/68/54/1031496854.db2.gz JASGVZDHBBELKM-UHFFFAOYSA-N -1 1 349.452 3.936 20 0 EHADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cnccc2C)cc1 ZINC000085235370 1031720288 /nfs/dbraw/zinc/72/02/88/1031720288.db2.gz QPJDUTAZZCQGPP-UHFFFAOYSA-N -1 1 334.441 3.760 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1F ZINC000475741728 1031763315 /nfs/dbraw/zinc/76/33/15/1031763315.db2.gz INLHWSKCTGYNBB-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM COCCOc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445451010 1031852808 /nfs/dbraw/zinc/85/28/08/1031852808.db2.gz ZLXBWYRHZWVOBY-UHFFFAOYSA-N -1 1 346.770 3.788 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000180713515 1031900891 /nfs/dbraw/zinc/90/08/91/1031900891.db2.gz DGNOYLAFVKNTHR-UHFFFAOYSA-N -1 1 348.443 3.659 20 0 EHADMM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181254590 1031962999 /nfs/dbraw/zinc/96/29/99/1031962999.db2.gz WMANIVLCFMIPKW-LBPRGKRZSA-N -1 1 339.370 3.516 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2csc(-c3ccsc3)n2)n1 ZINC000195059561 1031990201 /nfs/dbraw/zinc/99/02/01/1031990201.db2.gz KQWALJMZXZCIGL-UHFFFAOYSA-N -1 1 335.479 3.810 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cccc(Br)c2C)n1 ZINC000195068797 1032002022 /nfs/dbraw/zinc/00/20/22/1032002022.db2.gz FJGWYOGZAWFEEQ-UHFFFAOYSA-N -1 1 339.258 3.696 20 0 EHADMM Cc1oc2ccccc2c1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000685470632 1033369450 /nfs/dbraw/zinc/36/94/50/1033369450.db2.gz YQWJVKMZZWAHGY-UHFFFAOYSA-N -1 1 331.318 3.698 20 0 EHADMM Cc1c2ccccc2oc1C(=O)COC(=O)c1c([O-])cc(F)cc1F ZINC000063543492 1033442461 /nfs/dbraw/zinc/44/24/61/1033442461.db2.gz CRLFLUKCAAVQKM-UHFFFAOYSA-N -1 1 346.285 3.765 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000608365893 1033639476 /nfs/dbraw/zinc/63/94/76/1033639476.db2.gz CQMKCMJQFCJDRD-UHFFFAOYSA-N -1 1 329.249 3.725 20 0 EHADMM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608365561 1033639859 /nfs/dbraw/zinc/63/98/59/1033639859.db2.gz NEIWADLMBKAJTA-UHFFFAOYSA-N -1 1 344.386 3.560 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)OC2CCCCCC2)c1 ZINC000761324770 1033749766 /nfs/dbraw/zinc/74/97/66/1033749766.db2.gz XRAIJEKBMBGZEG-HNNXBMFYSA-N -1 1 348.439 3.808 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCCC2(C1)CCCCCC2 ZINC000476415341 1033795518 /nfs/dbraw/zinc/79/55/18/1033795518.db2.gz ZSEWYTMMWRCFCQ-UHFFFAOYSA-N -1 1 333.501 3.716 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1 ZINC000476499728 1034014580 /nfs/dbraw/zinc/01/45/80/1034014580.db2.gz KWPFNABSUMRRSC-UHFFFAOYSA-N -1 1 329.425 3.726 20 0 EHADMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC(C)(C(=O)[O-])CC1 ZINC000647372880 1034062913 /nfs/dbraw/zinc/06/29/13/1034062913.db2.gz WYNMWHXMTPFUMO-OAHLLOKOSA-N -1 1 346.471 3.632 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCCC12OCCO2 ZINC000529538909 1034140940 /nfs/dbraw/zinc/14/09/40/1034140940.db2.gz NFXYLYXMTIALMK-ZDUSSCGKSA-N -1 1 347.798 3.681 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)cc1 ZINC000064475480 1034145430 /nfs/dbraw/zinc/14/54/30/1034145430.db2.gz PUWOGJDQMUCCPY-UHFFFAOYSA-N -1 1 334.422 3.659 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000456343760 1034337072 /nfs/dbraw/zinc/33/70/72/1034337072.db2.gz PYIYWWYEGWGWDB-ZFWWWQNUSA-N -1 1 333.476 3.541 20 0 EHADMM Cc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1C ZINC000604411895 1034351093 /nfs/dbraw/zinc/35/10/93/1034351093.db2.gz ILIZTHRUBQSGHT-LLVKDONJSA-N -1 1 343.370 3.760 20 0 EHADMM COc1cccc([C@H]2CN(C(=O)c3ccc([O-])cc3F)CC2(C)C)c1 ZINC000529726138 1034514843 /nfs/dbraw/zinc/51/48/43/1034514843.db2.gz BLDNHZKWXCHYRI-QGZVFWFLSA-N -1 1 343.398 3.806 20 0 EHADMM O=C(Cc1ccc(F)cc1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000534553499 1034668361 /nfs/dbraw/zinc/66/83/61/1034668361.db2.gz ADMKQJQNIBPMBA-UHFFFAOYSA-N -1 1 335.791 3.534 20 0 EHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000456763066 1034707857 /nfs/dbraw/zinc/70/78/57/1034707857.db2.gz BFCFXUGZSAVPGC-BFUOFWGJSA-N -1 1 329.346 3.903 20 0 EHADMM Cc1nc([C@@H]2CCCO2)sc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456787602 1034732155 /nfs/dbraw/zinc/73/21/55/1034732155.db2.gz QNTKMYMUBWGPIV-JTQLQIEISA-N -1 1 340.351 3.539 20 0 EHADMM C[C@H]1CCc2ccccc2N1CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456788819 1034734000 /nfs/dbraw/zinc/73/40/00/1034734000.db2.gz SNZTXCRSOBMOTQ-LBPRGKRZSA-N -1 1 346.377 3.840 20 0 EHADMM CCCc1nc(C)c(CSc2nc([O-])cc(=O)n2C2CCCC2)o1 ZINC000450797928 1034795428 /nfs/dbraw/zinc/79/54/28/1034795428.db2.gz YCTZXODIVIUFOP-UHFFFAOYSA-N -1 1 349.456 3.605 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])C1(Cc2cccc(F)c2)CCOCC1 ZINC000530006490 1034853523 /nfs/dbraw/zinc/85/35/23/1034853523.db2.gz UBMMKTSSQJWBIT-UHFFFAOYSA-N -1 1 347.361 3.648 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(F)c2[O-])c(OCC2CC2)c1 ZINC000530004774 1034870188 /nfs/dbraw/zinc/87/01/88/1034870188.db2.gz GLHZJCXKHAGACE-UHFFFAOYSA-N -1 1 331.343 3.581 20 0 EHADMM O=C(CCn1c2ccccc2nc1C1CC1)Nc1cccc(F)c1[O-] ZINC000530005955 1034872745 /nfs/dbraw/zinc/87/27/45/1034872745.db2.gz PXTQCICCKFZSPY-UHFFFAOYSA-N -1 1 339.370 3.787 20 0 EHADMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc([O-])cc3F)C2)c1 ZINC000456921193 1035535877 /nfs/dbraw/zinc/53/58/77/1035535877.db2.gz KFWYIGASTOHYPB-HDJSIYSDSA-N -1 1 329.371 3.558 20 0 EHADMM Cc1cc(C)cc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000540796998 1035691133 /nfs/dbraw/zinc/69/11/33/1035691133.db2.gz ONKKWOWCUKKCBU-UHFFFAOYSA-N -1 1 335.407 3.970 20 0 EHADMM CC1(CC(F)(F)F)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000457122118 1035735286 /nfs/dbraw/zinc/73/52/86/1035735286.db2.gz QPUZWVPTHFHFHE-UHFFFAOYSA-N -1 1 341.251 3.826 20 0 EHADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000540905476 1035786944 /nfs/dbraw/zinc/78/69/44/1035786944.db2.gz YRMPYKYYGCUKDJ-UHFFFAOYSA-N -1 1 349.452 3.729 20 0 EHADMM O=C(NCCc1ccc(Cl)nc1)c1cc2ccccc2cc1[O-] ZINC000760690415 1035877218 /nfs/dbraw/zinc/87/72/18/1035877218.db2.gz RLNNIBLTFKAFOQ-UHFFFAOYSA-N -1 1 326.783 3.566 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC000175013909 1036155356 /nfs/dbraw/zinc/15/53/56/1036155356.db2.gz UXNFBZBFGFGCAA-UHFFFAOYSA-N -1 1 329.421 3.623 20 0 EHADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1F ZINC000541305706 1036175578 /nfs/dbraw/zinc/17/55/78/1036175578.db2.gz QVBFPIUMDFLOAE-UHFFFAOYSA-N -1 1 347.383 3.935 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c1 ZINC000589431447 1036426314 /nfs/dbraw/zinc/42/63/14/1036426314.db2.gz SQXBOTNDBOGYKQ-UHFFFAOYSA-N -1 1 346.408 3.761 20 0 EHADMM CC(=O)Nc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000192189795 1036483853 /nfs/dbraw/zinc/48/38/53/1036483853.db2.gz WKSVSCJVGOPPGP-UHFFFAOYSA-N -1 1 333.775 3.956 20 0 EHADMM COc1ccc(N(C)C(=O)c2c(F)ccc([O-])c2F)cc1Cl ZINC000539489590 1036811273 /nfs/dbraw/zinc/81/12/73/1036811273.db2.gz OIELHNXBPODPTA-UHFFFAOYSA-N -1 1 327.714 3.609 20 0 EHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Br)ccc2Cl)C1 ZINC000263383622 1036840429 /nfs/dbraw/zinc/84/04/29/1036840429.db2.gz XRISDVUXJNHRCY-ONGXEEELSA-N -1 1 346.652 3.645 20 0 EHADMM Cc1ccc2c([n-]cc(C(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)c2=O)[nH+]1 ZINC000176520668 1037015614 /nfs/dbraw/zinc/01/56/14/1037015614.db2.gz GNACFBQAXLRJAH-GOEBONIOSA-N -1 1 347.418 3.662 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)cnc2n1 ZINC000176520668 1037015630 /nfs/dbraw/zinc/01/56/30/1037015630.db2.gz GNACFBQAXLRJAH-GOEBONIOSA-N -1 1 347.418 3.662 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1F ZINC000303176706 1037177964 /nfs/dbraw/zinc/17/79/64/1037177964.db2.gz JRVPQQUHUDEOSU-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3CCc4ccccc4C3)nc2)[n-]c(=O)c1C ZINC000462788037 1037395092 /nfs/dbraw/zinc/39/50/92/1037395092.db2.gz BABUSOOIVGAAHU-GOSISDBHSA-N -1 1 346.434 3.830 20 0 EHADMM COc1cc(C(=O)N2COCC[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000888186824 1037429632 /nfs/dbraw/zinc/42/96/32/1037429632.db2.gz UDALUIRADPEKJU-OAHLLOKOSA-N -1 1 347.798 3.616 20 0 EHADMM CCc1nc(S[C@H](C)C(=O)c2cc(F)ccc2F)[n-]c(=O)c1C ZINC000573817630 1037759575 /nfs/dbraw/zinc/75/95/75/1037759575.db2.gz YMIZKXORIHCGCW-SECBINFHSA-N -1 1 338.379 3.695 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000538668840 1038462761 /nfs/dbraw/zinc/46/27/61/1038462761.db2.gz RRIZVMYDWRFMLN-SECBINFHSA-N -1 1 329.409 3.702 20 0 EHADMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000228315798 1038548300 /nfs/dbraw/zinc/54/83/00/1038548300.db2.gz CTXWYLCOOYKYGW-LBPRGKRZSA-N -1 1 348.240 3.906 20 0 EHADMM CC[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)CC(F)(F)F ZINC000416591818 1038816481 /nfs/dbraw/zinc/81/64/81/1038816481.db2.gz IEBWDUHQEFTNJL-MRVPVSSYSA-N -1 1 347.761 3.736 20 0 EHADMM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c21 ZINC000552039231 1038905660 /nfs/dbraw/zinc/90/56/60/1038905660.db2.gz VOERVMQAFRIQPN-UHFFFAOYSA-N -1 1 346.390 3.753 20 0 EHADMM CCc1csc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000910716623 1039055001 /nfs/dbraw/zinc/05/50/01/1039055001.db2.gz DSXPGBMFRASIGB-MRVPVSSYSA-N -1 1 340.832 3.564 20 0 EHADMM C[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])[C@H]1OCCc2sccc21 ZINC000910987355 1039182257 /nfs/dbraw/zinc/18/22/57/1039182257.db2.gz LFTWZGNSENLFSC-ANRSDYALSA-N -1 1 339.363 3.621 20 0 EHADMM CSCCc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000567296478 1039334479 /nfs/dbraw/zinc/33/44/79/1039334479.db2.gz PUAFOGSFENHYBI-UHFFFAOYSA-N -1 1 343.420 3.671 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cc(F)cc(Br)c1 ZINC000584666685 1039431173 /nfs/dbraw/zinc/43/11/73/1039431173.db2.gz JUIUCVIMZPJXGL-BFVZDQMLSA-N -1 1 344.224 3.662 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(Br)c(F)c1 ZINC000161950743 1039434204 /nfs/dbraw/zinc/43/42/04/1039434204.db2.gz WWINCMVKEAQUPT-LBPRGKRZSA-N -1 1 344.224 3.808 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3cc(Cl)ccc3F)[nH][n-]2)s1 ZINC000500847875 1039583634 /nfs/dbraw/zinc/58/36/34/1039583634.db2.gz SUPGIKAFOZGYPW-UHFFFAOYSA-N -1 1 335.791 3.913 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc3ncccc32)c(C)cc1C ZINC000478709221 1039647072 /nfs/dbraw/zinc/64/70/72/1039647072.db2.gz JMCRDLZJRFJKTJ-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-][C@](C)(c1ccccc1)C(F)(F)F ZINC000479125863 1039977649 /nfs/dbraw/zinc/97/76/49/1039977649.db2.gz BEMQYIZSCUCPPM-CYBMUJFWSA-N -1 1 349.399 3.813 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2c(C)cccc2F)n[nH]c1-c1ccccc1 ZINC000479123785 1039994171 /nfs/dbraw/zinc/99/41/71/1039994171.db2.gz BUPGYIXQLKFLNK-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1-c1ccccc1 ZINC000533947515 1039997814 /nfs/dbraw/zinc/99/78/14/1039997814.db2.gz WURGVVUWNJPQIR-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(OC2CCCC2)CC1 ZINC000667753790 1040048506 /nfs/dbraw/zinc/04/85/06/1040048506.db2.gz UWMIBUYSLSBYHO-UHFFFAOYSA-N -1 1 340.423 3.504 20 0 EHADMM O=C([O-])C[C@@H](CNCc1c(Cl)cccc1Cl)C(F)(F)F ZINC000417617112 1040068148 /nfs/dbraw/zinc/06/81/48/1040068148.db2.gz BNXCWPPKWASLMA-ZETCQYMHSA-N -1 1 330.133 3.736 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccco1)c1ccc(Br)cc1 ZINC000417641978 1040122514 /nfs/dbraw/zinc/12/25/14/1040122514.db2.gz SQBNDZFNJFXWFI-QMTHXVAHSA-N -1 1 338.201 3.594 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000489727067 1040157300 /nfs/dbraw/zinc/15/73/00/1040157300.db2.gz FZAXJVPDKJMTDR-UHFFFAOYSA-N -1 1 329.425 3.726 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CC2CCCCC2)c(F)c1 ZINC001211740956 1040199216 /nfs/dbraw/zinc/19/92/16/1040199216.db2.gz BHDUQSMTKVWYHE-LBPRGKRZSA-N -1 1 331.428 3.910 20 0 EHADMM FC(F)(F)COc1ccccc1[N-]c1nnc(CC(F)(F)F)o1 ZINC000899248582 1040237399 /nfs/dbraw/zinc/23/73/99/1040237399.db2.gz XTUIIARJZJHEPV-UHFFFAOYSA-N -1 1 341.211 3.859 20 0 EHADMM COc1cc(C(=O)NCC2CC(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000555175183 1040258921 /nfs/dbraw/zinc/25/89/21/1040258921.db2.gz QXRWEMVOCAUEIO-UHFFFAOYSA-N -1 1 345.826 3.978 20 0 EHADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)CCc3ccccc3F)n2)o1 ZINC000479461575 1040259953 /nfs/dbraw/zinc/25/99/53/1040259953.db2.gz BRFMQMWEZWDEQY-LLVKDONJSA-N -1 1 342.374 3.720 20 0 EHADMM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(-c2cc(Cl)ncn2)c1=O ZINC000899347146 1040353114 /nfs/dbraw/zinc/35/31/14/1040353114.db2.gz KBJZMOBPRAXASE-AWEZNQCLSA-N -1 1 349.221 3.807 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)C1CCC(F)(F)CC1 ZINC000908709346 1040605499 /nfs/dbraw/zinc/60/54/99/1040605499.db2.gz PMSBJUFDRIVKFG-UHFFFAOYSA-N -1 1 334.160 3.919 20 0 EHADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909975401 1041087365 /nfs/dbraw/zinc/08/73/65/1041087365.db2.gz PWRFHRHDUGYGEU-SNVBAGLBSA-N -1 1 333.334 3.565 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(N2CCCCCC2)nc1 ZINC000909973738 1041087893 /nfs/dbraw/zinc/08/78/93/1041087893.db2.gz AQJAYQOODZMXGR-UHFFFAOYSA-N -1 1 347.365 3.698 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000614315927 1041114022 /nfs/dbraw/zinc/11/40/22/1041114022.db2.gz CMIXRRLIJMCPDK-BMFZPTHFSA-N -1 1 337.847 3.591 20 0 EHADMM CCC(CC)(C(=O)Nc1cc([O-])c(F)cc1F)C(=O)OC(C)(C)C ZINC000909988528 1041121792 /nfs/dbraw/zinc/12/17/92/1041121792.db2.gz OLWHZQVTDQQLPL-UHFFFAOYSA-N -1 1 343.370 3.757 20 0 EHADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)[C@@H](C)c3cccc(C)c3)n2)cc1 ZINC000571150592 1041206821 /nfs/dbraw/zinc/20/68/21/1041206821.db2.gz HUSIGMLBWPRYFO-AWEZNQCLSA-N -1 1 341.436 3.623 20 0 EHADMM Cc1ccc(-c2nc(S(=O)(=O)[C@@H](C)c3cccc(C)c3)n[n-]2)cc1 ZINC000571150592 1041206837 /nfs/dbraw/zinc/20/68/37/1041206837.db2.gz HUSIGMLBWPRYFO-AWEZNQCLSA-N -1 1 341.436 3.623 20 0 EHADMM O=C(CCc1ccccc1Cl)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365969 1041415790 /nfs/dbraw/zinc/41/57/90/1041415790.db2.gz OSMGXAIMQATCIB-UHFFFAOYSA-N -1 1 331.828 3.785 20 0 EHADMM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccncc3[O-])c12 ZINC000109890646 1041505220 /nfs/dbraw/zinc/50/52/20/1041505220.db2.gz FUUFWILFCFKJNQ-UHFFFAOYSA-N -1 1 346.346 3.551 20 0 EHADMM Cc1ccc(Nc2nc(C[N@H+]3CC[C@@H](C(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000652497265 1042512174 /nfs/dbraw/zinc/51/21/74/1042512174.db2.gz QISPKDYXNWHDJN-CZUORRHYSA-N -1 1 345.468 3.738 20 0 EHADMM Cc1ccc(Nc2nc(CN3CC[C@@H](C(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000652497265 1042512177 /nfs/dbraw/zinc/51/21/77/1042512177.db2.gz QISPKDYXNWHDJN-CZUORRHYSA-N -1 1 345.468 3.738 20 0 EHADMM Cc1cc(F)c(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000663262143 1042607774 /nfs/dbraw/zinc/60/77/74/1042607774.db2.gz PTEBXWLIOGKTNP-SECBINFHSA-N -1 1 341.732 3.920 20 0 EHADMM Cc1ccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c2n[nH]cc21 ZINC001625913131 1042881651 /nfs/dbraw/zinc/88/16/51/1042881651.db2.gz XSHIXXBMVVKKJA-UHFFFAOYSA-N -1 1 333.347 3.688 20 0 EHADMM COc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667927 1042993836 /nfs/dbraw/zinc/99/38/36/1042993836.db2.gz YAGNZVHYQZTECJ-UHFFFAOYSA-N -1 1 333.771 3.656 20 0 EHADMM O=C(CCc1nc(-c2cccs2)no1)Nc1ccc([O-])c(Cl)c1 ZINC000111667782 1042993887 /nfs/dbraw/zinc/99/38/87/1042993887.db2.gz LDFHMDJWCVSXIE-UHFFFAOYSA-N -1 1 349.799 3.728 20 0 EHADMM O=S(=O)([N-][C@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccoc1 ZINC000351307240 1043333026 /nfs/dbraw/zinc/33/30/26/1043333026.db2.gz SLIRUXMTHDGFDK-LLVKDONJSA-N -1 1 339.722 3.515 20 0 EHADMM COc1cc(C(=O)N[C@H](C)Cc2ccccc2F)cc(Cl)c1[O-] ZINC000153643164 1125642319 /nfs/dbraw/zinc/64/23/19/1125642319.db2.gz JOKYYSDUXHWKHY-SNVBAGLBSA-N -1 1 337.778 3.554 20 0 EHADMM COc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000153808367 1125663633 /nfs/dbraw/zinc/66/36/33/1125663633.db2.gz VVIVZLOSMQCTJB-KBPBESRZSA-N -1 1 331.799 3.588 20 0 EHADMM COc1cc(C(=O)N2CCc3ccc(Cl)cc32)cc(Cl)c1[O-] ZINC000153939828 1125676951 /nfs/dbraw/zinc/67/69/51/1125676951.db2.gz HKQQIDBBPSEOOI-UHFFFAOYSA-N -1 1 338.190 3.911 20 0 EHADMM CC(C)Cn1ncc(NC(=O)c2c(F)ccc([O-])c2F)c1C(C)C ZINC000622475245 1126704971 /nfs/dbraw/zinc/70/49/71/1126704971.db2.gz UTQTUKCMRNHDJR-UHFFFAOYSA-N -1 1 337.370 3.899 20 0 EHADMM CC(C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000171965878 1126772178 /nfs/dbraw/zinc/77/21/78/1126772178.db2.gz QLJPXEGLSZXOGJ-CQSZACIVSA-N -1 1 346.452 3.718 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3cc4ccccc4o3)no2)c1 ZINC000350592742 1127089345 /nfs/dbraw/zinc/08/93/45/1127089345.db2.gz ZMSXTLZBXYXEQK-UHFFFAOYSA-N -1 1 349.346 3.738 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc(-c4cccnc4)s3)n2)c(F)c1 ZINC000350834142 1127106445 /nfs/dbraw/zinc/10/64/45/1127106445.db2.gz DCUIQNHQRCBDRR-UHFFFAOYSA-N -1 1 340.339 3.767 20 0 EHADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(C)ccc3Cl)ccc12 ZINC000180355378 1127148043 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CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000044253190 1127932791 /nfs/dbraw/zinc/93/27/91/1127932791.db2.gz HKCUACYEJKLNKA-UHFFFAOYSA-N -1 1 329.780 3.679 20 0 EHADMM C/C=C/C=C/C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611643 1127984090 /nfs/dbraw/zinc/98/40/90/1127984090.db2.gz MDOBDHAHFSONSL-QTEKZCJASA-N -1 1 342.420 3.558 20 0 EHADMM O=S(=O)(Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc([O-])cc1 ZINC000063927587 1128160876 /nfs/dbraw/zinc/16/08/76/1128160876.db2.gz QADUEIZZCRYTTC-UHFFFAOYSA-N -1 1 349.795 3.675 20 0 EHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1C ZINC000107356726 1128534268 /nfs/dbraw/zinc/53/42/68/1128534268.db2.gz TZYGVBUOCJMZDB-UHFFFAOYSA-N -1 1 335.473 3.742 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1F)Cc1ccccc1 ZINC000303667652 1128686682 /nfs/dbraw/zinc/68/66/82/1128686682.db2.gz IXSQSLQHDJKOHL-UHFFFAOYSA-N -1 1 339.407 3.512 20 0 EHADMM CC[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1cc(C)ccc1C ZINC001648851096 1120054373 /nfs/dbraw/zinc/05/43/73/1120054373.db2.gz 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3.699 20 0 EHADMM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000917900018 1122704966 /nfs/dbraw/zinc/70/49/66/1122704966.db2.gz BZJPGBDASLISFI-SNVBAGLBSA-N -1 1 345.798 3.528 20 0 EHADMM CC(C)(C)c1noc(CCCC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000129535679 1122796843 /nfs/dbraw/zinc/79/68/43/1122796843.db2.gz OABKURDVESZGOH-UHFFFAOYSA-N -1 1 337.807 3.688 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000615228614 1122992199 /nfs/dbraw/zinc/99/21/99/1122992199.db2.gz ZZNYQSOMLBIPPD-UHFFFAOYSA-N -1 1 345.443 3.977 20 0 EHADMM COCc1nc(C)c(C(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC000130916667 1123022559 /nfs/dbraw/zinc/02/25/59/1123022559.db2.gz TXXHIFGCFDAUFZ-UHFFFAOYSA-N -1 1 343.408 3.814 20 0 EHADMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1c([O-])cccc1Cl ZINC000920444679 1123369689 /nfs/dbraw/zinc/36/96/89/1123369689.db2.gz JKGURNNQDGDIBK-NSHDSACASA-N -1 1 347.798 3.525 20 0 EHADMM COc1ccc(CCCN(C)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000920460632 1123372081 /nfs/dbraw/zinc/37/20/81/1123372081.db2.gz NSCVODXUMVQHEG-UHFFFAOYSA-N -1 1 333.815 3.759 20 0 EHADMM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000921074285 1123457116 /nfs/dbraw/zinc/45/71/16/1123457116.db2.gz PAPRSFREVYEVIA-GFCCVEGCSA-N -1 1 339.370 3.739 20 0 EHADMM CN(Cc1ccco1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077612319 1123569450 /nfs/dbraw/zinc/56/94/50/1123569450.db2.gz VKCWJOFNLMTPIC-UHFFFAOYSA-N -1 1 346.383 3.604 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2ccc(SC)c(OC)c2)n1 ZINC000078583108 1123639538 /nfs/dbraw/zinc/63/95/38/1123639538.db2.gz VWBCAFRPWSRSOQ-UHFFFAOYSA-N -1 1 336.482 3.745 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1Cl ZINC000080716376 1123760914 /nfs/dbraw/zinc/76/09/14/1123760914.db2.gz USDOQMSRVLNFQN-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1ccc([O-])c(F)c1 ZINC000616883385 1124050623 /nfs/dbraw/zinc/05/06/23/1124050623.db2.gz IGJRCDLDMAUPMF-GOSISDBHSA-N -1 1 343.398 3.555 20 0 EHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc2c(c1)OCO2 ZINC000248230519 1124646020 /nfs/dbraw/zinc/64/60/20/1124646020.db2.gz BJOZHNXTUIZEMF-GFCCVEGCSA-N -1 1 335.359 3.765 20 0 EHADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000069524911 1124845297 /nfs/dbraw/zinc/84/52/97/1124845297.db2.gz DWRSBZIEIUAYTB-UHFFFAOYSA-N -1 1 341.298 3.950 20 0 EHADMM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000618791511 1125201736 /nfs/dbraw/zinc/20/17/36/1125201736.db2.gz VJDZPYLLXTZMIL-QGZVFWFLSA-N -1 1 347.361 3.663 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC([C@H]2CCCCO2)CC1 ZINC000619167913 1125299574 /nfs/dbraw/zinc/29/95/74/1125299574.db2.gz CABAYAAVOHFIOC-HXUWFJFHSA-N -1 1 339.435 3.967 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)C1CCCCC1 ZINC000765993970 1129614710 /nfs/dbraw/zinc/61/47/10/1129614710.db2.gz XHIDSEALYPBXPC-UHFFFAOYSA-N -1 1 333.476 3.950 20 0 EHADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000509088196 1129735347 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CCCCc1nc(COC(=O)c2c([O-])cc(F)cc2F)cs1 ZINC000733470563 1131046698 /nfs/dbraw/zinc/04/66/98/1131046698.db2.gz LIQNFJBBJZAEHU-UHFFFAOYSA-N -1 1 327.352 3.827 20 0 EHADMM C[C@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CC1 ZINC000740924277 1131558628 /nfs/dbraw/zinc/55/86/28/1131558628.db2.gz WJDSYOWQFYMKCD-LLVKDONJSA-N -1 1 334.416 3.515 20 0 EHADMM CCOC(=O)CCCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000740959677 1131562123 /nfs/dbraw/zinc/56/21/23/1131562123.db2.gz IUVCEZVHMMRJPO-UHFFFAOYSA-N -1 1 335.183 3.589 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000743250618 1131883320 /nfs/dbraw/zinc/88/33/20/1131883320.db2.gz FZRWDFYDYFSZCM-UHFFFAOYSA-N -1 1 349.214 3.824 20 0 EHADMM Fc1ccc(Cl)c(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689488 1131899905 /nfs/dbraw/zinc/89/99/05/1131899905.db2.gz HASUQJKCMFNUBV-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Fc1ccc(Cl)c(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689488 1131899911 /nfs/dbraw/zinc/89/99/11/1131899911.db2.gz HASUQJKCMFNUBV-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM O=C1CCCc2cc(-c3noc(-c4ncc(C(F)(F)F)[n-]4)n3)ccc21 ZINC001212689563 1131900268 /nfs/dbraw/zinc/90/02/68/1131900268.db2.gz JLDGNEZHTVPJPR-UHFFFAOYSA-N -1 1 348.284 3.665 20 0 EHADMM O=C1CCCc2cc(-c3noc(-c4nc(C(F)(F)F)c[n-]4)n3)ccc21 ZINC001212689563 1131900273 /nfs/dbraw/zinc/90/02/73/1131900273.db2.gz JLDGNEZHTVPJPR-UHFFFAOYSA-N -1 1 348.284 3.665 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000744547865 1132121315 /nfs/dbraw/zinc/12/13/15/1132121315.db2.gz QGMMPTVYKUNRLA-UHFFFAOYSA-N -1 1 341.338 3.615 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2cccc(Cl)c2)c1 ZINC000744624488 1132132105 /nfs/dbraw/zinc/13/21/05/1132132105.db2.gz FWOGHJHRFHIQJQ-UHFFFAOYSA-N -1 1 346.810 3.967 20 0 EHADMM CS(=O)(=O)c1ccccc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001173990083 1132197012 /nfs/dbraw/zinc/19/70/12/1132197012.db2.gz YAKUNIMZYDRDBX-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM NC(=O)c1ccc(Nc2c(Cl)ccc(Br)c2[O-])cc1 ZINC001174050581 1132207624 /nfs/dbraw/zinc/20/76/24/1132207624.db2.gz AQEQLKKEWIFNPO-UHFFFAOYSA-N -1 1 341.592 3.651 20 0 EHADMM CCOc1ccc2cc([N-]S(=O)(=O)c3ccccc3N)ccc2c1 ZINC001174107718 1132230252 /nfs/dbraw/zinc/23/02/52/1132230252.db2.gz DJAYARBASHSUCD-UHFFFAOYSA-N -1 1 342.420 3.622 20 0 EHADMM O=C(NCc1ccco1)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174200981 1132281808 /nfs/dbraw/zinc/28/18/08/1132281808.db2.gz HQVBMGRDZWFAFD-UHFFFAOYSA-N -1 1 344.317 3.937 20 0 EHADMM Cc1cc(S(=O)(=O)[O-])c(Nc2cccc3[nH]ncc32)cc1Cl ZINC001174345480 1132325145 /nfs/dbraw/zinc/32/51/45/1132325145.db2.gz CMONBKZZCANHJX-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc3ncsc3c2)c1 ZINC001174364452 1132336477 /nfs/dbraw/zinc/33/64/77/1132336477.db2.gz FYOZZQGQWUPERP-UHFFFAOYSA-N -1 1 334.422 3.539 20 0 EHADMM CSc1ccccc1[N-]C(=O)c1ncc(Br)s1 ZINC000188516589 1132436279 /nfs/dbraw/zinc/43/62/79/1132436279.db2.gz SFKDFHCOMPOYRF-UHFFFAOYSA-N -1 1 329.244 3.880 20 0 EHADMM CC(C)(C)c1cc2c([n-]c([C@@H]3COc4ccccc4O3)nc2=O)s1 ZINC000192955067 1132477446 /nfs/dbraw/zinc/47/74/46/1132477446.db2.gz NKAYWCAYXWMLKH-ZDUSSCGKSA-N -1 1 342.420 3.795 20 0 EHADMM [O-]c1c(Nc2ccc3c(c2)OCO3)ccc(F)c1Br ZINC001174868443 1132491761 /nfs/dbraw/zinc/49/17/61/1132491761.db2.gz SJPOTABEKXOVTJ-UHFFFAOYSA-N -1 1 326.121 3.766 20 0 EHADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc(Cl)s1 ZINC000195079849 1132492479 /nfs/dbraw/zinc/49/24/79/1132492479.db2.gz NUWCRDGKFCULCQ-UHFFFAOYSA-N -1 1 326.830 3.750 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(N)ccc2C)c2ccccc12 ZINC001174986984 1132536649 /nfs/dbraw/zinc/53/66/49/1132536649.db2.gz IYXMVKQUIHYBTL-UHFFFAOYSA-N -1 1 326.421 3.840 20 0 EHADMM CCOc1ccc(Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1C ZINC001175171280 1132588235 /nfs/dbraw/zinc/58/82/35/1132588235.db2.gz OIDXPVRBNWMJGK-UHFFFAOYSA-N -1 1 335.425 3.637 20 0 EHADMM CCOC(=O)c1cnoc1[N-]c1cccnc1OCc1ccccc1 ZINC001175871414 1132789717 /nfs/dbraw/zinc/78/97/17/1132789717.db2.gz GIOXTMUMUAVTCJ-UHFFFAOYSA-N -1 1 339.351 3.569 20 0 EHADMM COc1ccc2cc([C@H](C)C(=O)[N-]OCC(F)(F)F)ccc2c1 ZINC000766769114 1132804002 /nfs/dbraw/zinc/80/40/02/1132804002.db2.gz UCKNIDJTDUTRTH-JTQLQIEISA-N -1 1 327.302 3.562 20 0 EHADMM O=C(C=C1CCCCC1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001169850589 1132874500 /nfs/dbraw/zinc/87/45/00/1132874500.db2.gz AEYBGYZLSCROHN-UHFFFAOYSA-N -1 1 348.874 3.580 20 0 EHADMM CCCCOC(=O)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767247009 1132974179 /nfs/dbraw/zinc/97/41/79/1132974179.db2.gz RBNSMJANJKBFSY-UHFFFAOYSA-N -1 1 331.343 3.741 20 0 EHADMM CC(C)(C)c1nc2ccc(Nc3c(F)cc(F)c([O-])c3F)cn2n1 ZINC001176669154 1132978742 /nfs/dbraw/zinc/97/87/42/1132978742.db2.gz DZZKHGVUTQKNPK-UHFFFAOYSA-N -1 1 336.317 3.893 20 0 EHADMM COc1nccc(Nc2c(F)cc(F)c([O-])c2F)c1Br ZINC001176664371 1132978845 /nfs/dbraw/zinc/97/88/45/1132978845.db2.gz WPIQZLKXWFATGY-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM COc1ccc(Br)nc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664850 1132978853 /nfs/dbraw/zinc/97/88/53/1132978853.db2.gz VVAAHQIVQWCXRA-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM COC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1Cl ZINC001176670215 1132978959 /nfs/dbraw/zinc/97/89/59/1132978959.db2.gz UTHNAAPKASECES-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM COC(=O)c1cc(F)c(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176674113 1132980352 /nfs/dbraw/zinc/98/03/52/1132980352.db2.gz QFPACQZHDJRLAJ-UHFFFAOYSA-N -1 1 333.212 3.618 20 0 EHADMM COC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)c(Cl)c1 ZINC001176674765 1132980919 /nfs/dbraw/zinc/98/09/19/1132980919.db2.gz VKMAQQKKGFLQEM-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000767324345 1132984715 /nfs/dbraw/zinc/98/47/15/1132984715.db2.gz NJLMQACQCPWZAE-UHFFFAOYSA-N -1 1 346.358 3.988 20 0 EHADMM CN1CCN(c2ccc(Nc3cc(Cl)ccc3[S-])cn2)CC1 ZINC001176657526 1132985273 /nfs/dbraw/zinc/98/52/73/1132985273.db2.gz WOMAFLPOYDMLGL-UHFFFAOYSA-N -1 1 334.876 3.519 20 0 EHADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(Br)n1 ZINC001176663363 1132987286 /nfs/dbraw/zinc/98/72/86/1132987286.db2.gz GYRQUEWBQGUJFX-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM Cc1ccc(CNC(=O)c2c([O-])cccc2F)cc1Br ZINC001177102226 1133031670 /nfs/dbraw/zinc/03/16/70/1133031670.db2.gz ZIKVXSGDVSKPGR-UHFFFAOYSA-N -1 1 338.176 3.532 20 0 EHADMM COc1ccc([C@H](C)NC(=O)c2ncc3ccccc3c2[O-])cc1C ZINC001177326978 1133055322 /nfs/dbraw/zinc/05/53/22/1133055322.db2.gz OQQGHVGNRHHHCD-ZDUSSCGKSA-N -1 1 336.391 3.748 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(F)c(Cl)c1 ZINC000768087413 1133090395 /nfs/dbraw/zinc/09/03/95/1133090395.db2.gz LEZPHSGKMUQOIT-UHFFFAOYSA-N -1 1 348.713 3.648 20 0 EHADMM O=C(NCc1cscc1Cl)c1c([O-])cnc2c(F)cccc21 ZINC001178012944 1133123882 /nfs/dbraw/zinc/12/38/82/1133123882.db2.gz DAIJOEHLJWMAAE-UHFFFAOYSA-N -1 1 336.775 3.724 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1(c2ccc(F)cn2)CC1 ZINC001178081668 1133133807 /nfs/dbraw/zinc/13/38/07/1133133807.db2.gz JCCCRXJEJRCWKD-UHFFFAOYSA-N -1 1 340.276 3.615 20 0 EHADMM CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1[O-])c1ncccc1F ZINC001178086877 1133134290 /nfs/dbraw/zinc/13/42/90/1133134290.db2.gz FLDCNFDSMDKNHU-UHFFFAOYSA-N -1 1 342.292 3.861 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCCc2ccccc2C1 ZINC001179688246 1133270689 /nfs/dbraw/zinc/27/06/89/1133270689.db2.gz OOICKRCFRMESQE-INIZCTEOSA-N -1 1 329.827 3.652 20 0 EHADMM Cc1cccnc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769702285 1133331697 /nfs/dbraw/zinc/33/16/97/1133331697.db2.gz VZLFVBYBDYMZTR-UHFFFAOYSA-N -1 1 343.383 3.695 20 0 EHADMM Cc1nc(Nc2cc([O-])c(F)c(F)c2F)c(N)cc1Br ZINC001249960365 1133346790 /nfs/dbraw/zinc/34/67/90/1133346790.db2.gz DEDVVJCKBXLHIK-UHFFFAOYSA-N -1 1 348.122 3.601 20 0 EHADMM CCc1ccc(N2CCN(Cc3cccc([O-])c3Cl)CC2)cc1 ZINC001204261511 1133349178 /nfs/dbraw/zinc/34/91/78/1133349178.db2.gz JWLROMMMFMUOMF-UHFFFAOYSA-N -1 1 330.859 3.930 20 0 EHADMM O=C(Cc1ccc2c(c1)CCCC2)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001180395621 1133365106 /nfs/dbraw/zinc/36/51/06/1133365106.db2.gz ZWICROSXDWMVEB-UHFFFAOYSA-N -1 1 347.418 3.638 20 0 EHADMM CC[C@@H](C)[C@@H](CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1)OC ZINC001181764984 1133523047 /nfs/dbraw/zinc/52/30/47/1133523047.db2.gz SDBNGHIZMJJPQM-IUODEOHRSA-N -1 1 346.393 3.647 20 0 EHADMM CC(C)c1ccc2nc(-c3cnn(C)c3Br)[n-]c(=O)c2c1 ZINC000773961054 1133561932 /nfs/dbraw/zinc/56/19/32/1133561932.db2.gz VTECAWUYYRJLIG-UHFFFAOYSA-N -1 1 347.216 3.622 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC001184512920 1133955499 /nfs/dbraw/zinc/95/54/99/1133955499.db2.gz XPGHBUPCBVFJSI-UWVGGRQHSA-N -1 1 342.233 3.928 20 0 EHADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185524211 1134103068 /nfs/dbraw/zinc/10/30/68/1134103068.db2.gz DPLWAAYLIYNWSF-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM CCc1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c(C)cc1C ZINC001185999202 1134163511 /nfs/dbraw/zinc/16/35/11/1134163511.db2.gz GUYWAUPRYGZXBA-UHFFFAOYSA-N -1 1 329.425 3.543 20 0 EHADMM CNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186225920 1134183316 /nfs/dbraw/zinc/18/33/16/1134183316.db2.gz HSKDZVXOMJTEJU-UHFFFAOYSA-N -1 1 328.265 3.844 20 0 EHADMM C[C@H]1OC2(CCN(C(=O)c3ccc([O-])c(F)c3)CC2)c2ccccc21 ZINC001186220185 1134189242 /nfs/dbraw/zinc/18/92/42/1134189242.db2.gz ZQADETOPHUIMSZ-CYBMUJFWSA-N -1 1 341.382 3.754 20 0 EHADMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1ccc([O-])cc1F ZINC001186339467 1134204889 /nfs/dbraw/zinc/20/48/89/1134204889.db2.gz FSQYLLYNTNYXPS-RAKLQZGLSA-N -1 1 325.383 3.843 20 0 EHADMM CCCc1cncc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC001187052525 1134289194 /nfs/dbraw/zinc/28/91/94/1134289194.db2.gz JGGIAZCZEKOMTN-UHFFFAOYSA-N -1 1 347.378 3.661 20 0 EHADMM O=C([O-])C1(NCc2sc(Sc3ccccc3)nc2Cl)CC1 ZINC000789898662 1134347329 /nfs/dbraw/zinc/34/73/29/1134347329.db2.gz XXFQCEQTPDOQBL-UHFFFAOYSA-N -1 1 340.857 3.655 20 0 EHADMM CCc1ccccc1NC(=O)Nc1nc(Br)ccc1[O-] ZINC001187607443 1134355382 /nfs/dbraw/zinc/35/53/82/1134355382.db2.gz NYDYHPYXQHZYBL-UHFFFAOYSA-N -1 1 336.189 3.756 20 0 EHADMM CCOC(=O)c1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000790069341 1134362651 /nfs/dbraw/zinc/36/26/51/1134362651.db2.gz XAVBJOJQJUFHQZ-OUKQBFOZSA-N -1 1 345.420 3.584 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000790047069 1134364461 /nfs/dbraw/zinc/36/44/61/1134364461.db2.gz CIGHDYIBOQRDMC-RNFRBKRXSA-N -1 1 329.208 3.898 20 0 EHADMM COc1ccc(NC(=O)Nc2cc(F)c(F)cc2[O-])cc1Cl ZINC001188474721 1134470412 /nfs/dbraw/zinc/47/04/12/1134470412.db2.gz QLAFQLYVRFXNOM-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM Cc1cccc2[nH]c(NC(=O)c3ccc([O-])c(C(F)(F)F)c3)nc21 ZINC001188563329 1134476384 /nfs/dbraw/zinc/47/63/84/1134476384.db2.gz JXYMYYJOFTVVEM-UHFFFAOYSA-N -1 1 335.285 3.848 20 0 EHADMM Cc1cccc2nc(NC(=O)c3ccc([O-])c(C(F)(F)F)c3)[nH]c21 ZINC001188563329 1134476392 /nfs/dbraw/zinc/47/63/92/1134476392.db2.gz JXYMYYJOFTVVEM-UHFFFAOYSA-N -1 1 335.285 3.848 20 0 EHADMM CCc1ccc([C@H]2CN(C(=O)c3c([O-])cccc3Cl)CCO2)cc1 ZINC000791122505 1134506937 /nfs/dbraw/zinc/50/69/37/1134506937.db2.gz BIEBNNAAZGOVPS-QGZVFWFLSA-N -1 1 345.826 3.822 20 0 EHADMM CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc([N-]c2cnoc2)on1 ZINC001203234131 1134539380 /nfs/dbraw/zinc/53/93/80/1134539380.db2.gz NXNRGUJDJUSTBH-ZDUSSCGKSA-N -1 1 334.376 3.868 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3cccccc-3c2)c1 ZINC001189200996 1134551458 /nfs/dbraw/zinc/55/14/58/1134551458.db2.gz QUUREQASYCDWQK-UHFFFAOYSA-N -1 1 325.389 3.795 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3cc(O)ccc32)c1 ZINC001189235224 1134555022 /nfs/dbraw/zinc/55/50/22/1134555022.db2.gz JHKCEYDXKNRFRY-UHFFFAOYSA-N -1 1 341.388 3.549 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3scnc3c(C)c2)c1 ZINC001189239824 1134555587 /nfs/dbraw/zinc/55/55/87/1134555587.db2.gz VOJSWMKBECHECR-UHFFFAOYSA-N -1 1 346.433 3.608 20 0 EHADMM CCCOc1ccccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189824381 1134630501 /nfs/dbraw/zinc/63/05/01/1134630501.db2.gz FYTGOPKBGZRERM-UHFFFAOYSA-N -1 1 341.379 3.696 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2cc(OC(C)C)ccc2C)c(OC)c1 ZINC001190138427 1134659631 /nfs/dbraw/zinc/65/96/31/1134659631.db2.gz UMTZPDWDSDWEGF-UHFFFAOYSA-N -1 1 345.395 3.757 20 0 EHADMM Cc1nnc([C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)s1 ZINC001190211582 1134670946 /nfs/dbraw/zinc/67/09/46/1134670946.db2.gz UVDLWIGPSUDUJY-SECBINFHSA-N -1 1 330.438 3.862 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2ncc(Cl)cc2C(F)(F)F)o1 ZINC001190696272 1134741012 /nfs/dbraw/zinc/74/10/12/1134741012.db2.gz HJJJAPBXWPXEGV-UHFFFAOYSA-N -1 1 348.712 3.687 20 0 EHADMM COc1cc(C(=O)Nc2cc(C)cnc2Cl)cc(Cl)c1[O-] ZINC001191129905 1134795551 /nfs/dbraw/zinc/79/55/51/1134795551.db2.gz ZGFHXPCVDCMFTE-UHFFFAOYSA-N -1 1 327.167 3.663 20 0 EHADMM COc1cc(C(=O)Nc2cccc3nnc(C)cc32)cc(Cl)c1[O-] ZINC001191147429 1134802027 /nfs/dbraw/zinc/80/20/27/1134802027.db2.gz QIEQJXGSZWLBNO-UHFFFAOYSA-N -1 1 343.770 3.558 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(CO)c2)cc1 ZINC001191254427 1134824964 /nfs/dbraw/zinc/82/49/64/1134824964.db2.gz TWGYEBSSOLIRPO-UHFFFAOYSA-N -1 1 333.453 3.631 20 0 EHADMM CC(C)(C)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001191239754 1134833452 /nfs/dbraw/zinc/83/34/52/1134833452.db2.gz SHMRIHGRMOYIGJ-YPMHNXCESA-N -1 1 333.856 3.972 20 0 EHADMM COCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001191279181 1134840014 /nfs/dbraw/zinc/84/00/14/1134840014.db2.gz CJYQUSMODQXGFI-UHFFFAOYSA-N -1 1 341.285 3.646 20 0 EHADMM Cc1ccccc1CC(C)(C)CNC(=O)c1c(F)ccc([O-])c1F ZINC001192556313 1135029432 /nfs/dbraw/zinc/02/94/32/1135029432.db2.gz SNJAECODVNGQKS-UHFFFAOYSA-N -1 1 333.378 3.978 20 0 EHADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000794320663 1135041118 /nfs/dbraw/zinc/04/11/18/1135041118.db2.gz MZJVPDFJVQDASA-TZMCWYRMSA-N -1 1 349.475 3.618 20 0 EHADMM C[C@@H](CCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1 ZINC001129638936 1135125490 /nfs/dbraw/zinc/12/54/90/1135125490.db2.gz FRHGTJLKYAPCFO-ZDUSSCGKSA-N -1 1 325.412 3.583 20 0 EHADMM Cc1cc(Cl)cc(C)c1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747230954 1135237560 /nfs/dbraw/zinc/23/75/60/1135237560.db2.gz RXRXVUJOUNUIGT-UHFFFAOYSA-N -1 1 328.821 3.571 20 0 EHADMM Cc1cc(Cl)cc(C)c1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747230954 1135237563 /nfs/dbraw/zinc/23/75/63/1135237563.db2.gz RXRXVUJOUNUIGT-UHFFFAOYSA-N -1 1 328.821 3.571 20 0 EHADMM Cc1c(O)cccc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194498075 1135279196 /nfs/dbraw/zinc/27/91/96/1135279196.db2.gz BPEPGWDZUPMDDB-UHFFFAOYSA-N -1 1 348.811 3.703 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC001194643442 1135296220 /nfs/dbraw/zinc/29/62/20/1135296220.db2.gz VUAZFFNXJMTSIQ-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1cc(NC(=O)c2c[n-]c(C(F)(F)F)n2)cc2scnc21 ZINC001194783057 1135315656 /nfs/dbraw/zinc/31/56/56/1135315656.db2.gz BZMVKAKUXWGLAH-UHFFFAOYSA-N -1 1 326.303 3.599 20 0 EHADMM CCOc1ccc(OCC)c([N-]S(=O)(=O)CC[Si](C)(C)C)c1 ZINC001195032368 1135356024 /nfs/dbraw/zinc/35/60/24/1135356024.db2.gz MBXWQUURFDRMFM-UHFFFAOYSA-N -1 1 345.537 3.564 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2nc(Cl)cnc2Cl)c1 ZINC001195120077 1135372279 /nfs/dbraw/zinc/37/22/79/1135372279.db2.gz IXDSFZVBKHDVGI-UHFFFAOYSA-N -1 1 346.239 3.708 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C(C)=O)c1 ZINC001195168993 1135386727 /nfs/dbraw/zinc/38/67/27/1135386727.db2.gz DPANOQVRLAZFAC-UHFFFAOYSA-N -1 1 347.436 3.822 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC001195268660 1135402855 /nfs/dbraw/zinc/40/28/55/1135402855.db2.gz XTKKRVGQZYHINW-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM CCCC[C@@H](CC)COCCCNC(=O)c1cc([O-])cnc1Cl ZINC001195311806 1135411893 /nfs/dbraw/zinc/41/18/93/1135411893.db2.gz AWRQURFUPFLEQW-CYBMUJFWSA-N -1 1 342.867 3.794 20 0 EHADMM CC(C)(CNC(=O)c1cc([O-])cnc1Cl)c1c[nH]c2ccccc21 ZINC001195315849 1135412938 /nfs/dbraw/zinc/41/29/38/1135412938.db2.gz TZFFQDLJRQJORQ-UHFFFAOYSA-N -1 1 343.814 3.630 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(OC(F)(F)F)ccc1Cl ZINC001195490060 1135433297 /nfs/dbraw/zinc/43/32/97/1135433297.db2.gz CGTSCZPJGMXWNP-UHFFFAOYSA-N -1 1 342.726 3.682 20 0 EHADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1csc2ccccc21 ZINC000806806320 1135493531 /nfs/dbraw/zinc/49/35/31/1135493531.db2.gz AYHFEAFGUXCDCV-NSHDSACASA-N -1 1 325.389 3.667 20 0 EHADMM Cc1ccc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)s1 ZINC000747368395 1135514141 /nfs/dbraw/zinc/51/41/41/1135514141.db2.gz FOGQATJMQMIUTE-JTQLQIEISA-N -1 1 333.457 3.649 20 0 EHADMM Cc1cccc(NC(=S)Nc2cccc(C(=O)N(C)C)c2[O-])c1C ZINC001196422197 1135561692 /nfs/dbraw/zinc/56/16/92/1135561692.db2.gz MIJHRBWRBVFGNK-UHFFFAOYSA-N -1 1 343.452 3.520 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1nccn1-c1ccccc1 ZINC000807810672 1135572654 /nfs/dbraw/zinc/57/26/54/1135572654.db2.gz SDSAVRUPGYWHID-LBPRGKRZSA-N -1 1 341.798 3.722 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cccc(Br)c2C)c1 ZINC001196519756 1135573594 /nfs/dbraw/zinc/57/35/94/1135573594.db2.gz DZZGBVIQWLAVFC-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM CC(C)n1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)cn1 ZINC001197504721 1135701249 /nfs/dbraw/zinc/70/12/49/1135701249.db2.gz MOJDYXYVXCCPCB-UHFFFAOYSA-N -1 1 348.255 3.713 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)Cc3c(F)cccc3F)ccc2c1 ZINC001197564237 1135706421 /nfs/dbraw/zinc/70/64/21/1135706421.db2.gz DHAHWRLEBHCSHP-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)s1 ZINC000004242658 1135753840 /nfs/dbraw/zinc/75/38/40/1135753840.db2.gz GFEMYDSMHPYAGC-UHFFFAOYSA-N -1 1 336.752 3.571 20 0 EHADMM CCc1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)c(C)cc1C ZINC001198155517 1135779993 /nfs/dbraw/zinc/77/99/93/1135779993.db2.gz NQZYWASYZVLVTH-UHFFFAOYSA-N -1 1 341.436 3.610 20 0 EHADMM Cc1cccc(C)c1NC(=S)Nc1cc2ccc([O-])cc2oc1=O ZINC001198331953 1135801668 /nfs/dbraw/zinc/80/16/68/1135801668.db2.gz AHSHHVJAHQDHJG-UHFFFAOYSA-N -1 1 340.404 3.924 20 0 EHADMM Cc1cccnc1[C@@H](C)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001198640368 1135841068 /nfs/dbraw/zinc/84/10/68/1135841068.db2.gz BXZMLRJMBNDISC-LLVKDONJSA-N -1 1 344.798 3.706 20 0 EHADMM CCC(=O)c1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1 ZINC001198869606 1135864714 /nfs/dbraw/zinc/86/47/14/1135864714.db2.gz XJBBNYZTUUOGCV-UHFFFAOYSA-N -1 1 329.377 3.826 20 0 EHADMM CN1CCc2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc21 ZINC000776092625 1135954023 /nfs/dbraw/zinc/95/40/23/1135954023.db2.gz XZWLWDFALLTKKU-UHFFFAOYSA-N -1 1 338.432 3.633 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ncc(F)cc2F)c(C)c1C ZINC001201791847 1136066913 /nfs/dbraw/zinc/06/69/13/1136066913.db2.gz AORDKYAXISFCEA-UHFFFAOYSA-N -1 1 340.395 3.703 20 0 EHADMM O=C([N-]Cc1cc(Cl)ccn1)C(F)(F)c1cccc(Cl)c1 ZINC000776232187 1136087334 /nfs/dbraw/zinc/08/73/34/1136087334.db2.gz IFARQOTUGCHYHM-UHFFFAOYSA-N -1 1 331.149 3.797 20 0 EHADMM COc1ccccc1NC(=O)Nc1cccc([O-])c1Br ZINC001202129078 1136097758 /nfs/dbraw/zinc/09/77/58/1136097758.db2.gz VMRDPWMNMUVCBP-UHFFFAOYSA-N -1 1 337.173 3.807 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1c(F)cccc1Cl ZINC000005872371 1136126681 /nfs/dbraw/zinc/12/66/81/1136126681.db2.gz WUAPLRUWLZOVJM-UHFFFAOYSA-N -1 1 348.713 3.648 20 0 EHADMM COCc1ccc(SCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000747814185 1136241626 /nfs/dbraw/zinc/24/16/26/1136241626.db2.gz UJOFGWPHGGWVCU-UHFFFAOYSA-N -1 1 328.389 3.937 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H](O)c1ccc(Cl)cc1F ZINC000813494314 1136337829 /nfs/dbraw/zinc/33/78/29/1136337829.db2.gz HLSVKHOPOMMPPA-ZDUSSCGKSA-N -1 1 330.142 3.510 20 0 EHADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ccc2ccccc2n1 ZINC000747856457 1136340317 /nfs/dbraw/zinc/34/03/17/1136340317.db2.gz UWJPTEJHVJNVRA-VAWYXSNFSA-N -1 1 328.368 3.787 20 0 EHADMM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(F)F ZINC000854682531 1136636469 /nfs/dbraw/zinc/63/64/69/1136636469.db2.gz KQYJZWINUCGQNU-SECBINFHSA-N -1 1 342.130 3.701 20 0 EHADMM CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc([O-])c(Cl)c3)ccc21 ZINC000815852551 1136645078 /nfs/dbraw/zinc/64/50/78/1136645078.db2.gz ZHWSIZHZGILSFB-UHFFFAOYSA-N -1 1 330.771 3.528 20 0 EHADMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2C)c1 ZINC001135312660 1136660285 /nfs/dbraw/zinc/66/02/85/1136660285.db2.gz OVRRQQVYSUPPGE-UHFFFAOYSA-N -1 1 330.771 3.731 20 0 EHADMM C[C@@H](Cc1ccc(Br)cc1)C(=O)[N-]Oc1ccccc1 ZINC000816685344 1136748471 /nfs/dbraw/zinc/74/84/71/1136748471.db2.gz LTQKHJJBDQUCCA-LBPRGKRZSA-N -1 1 334.213 3.738 20 0 EHADMM CCCCC[C@@H]1CCCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000856271748 1136771517 /nfs/dbraw/zinc/77/15/17/1136771517.db2.gz LYYBKTBTCRXJDD-CQSZACIVSA-N -1 1 332.473 3.593 20 0 EHADMM Cc1cccc(C)c1OCCNC(=O)c1cc2ccccc2cc1[O-] ZINC001136251507 1136955877 /nfs/dbraw/zinc/95/58/77/1136955877.db2.gz FMSDNHKASRGPSB-UHFFFAOYSA-N -1 1 335.403 3.971 20 0 EHADMM CCn1cc(CC(=O)n2[n-]c(=O)c3ccc(OC)cc32)c2ccccc21 ZINC000819956351 1136967098 /nfs/dbraw/zinc/96/70/98/1136967098.db2.gz WNVSCULAKRYLGT-UHFFFAOYSA-N -1 1 349.390 3.608 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC001136603672 1137066016 /nfs/dbraw/zinc/06/60/16/1137066016.db2.gz HEVZQURFJCLXMW-AWEZNQCLSA-N -1 1 345.782 3.752 20 0 EHADMM COc1cc(F)cc2sc(NC(=O)c3cc(F)ccc3[O-])nc21 ZINC001136666850 1137086024 /nfs/dbraw/zinc/08/60/24/1137086024.db2.gz GJTHPCRVEBJGIV-UHFFFAOYSA-N -1 1 336.319 3.541 20 0 EHADMM CCSCC[C@@H](C)NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001137013447 1137171489 /nfs/dbraw/zinc/17/14/89/1137171489.db2.gz UXQFUQOLSHDHIN-GFCCVEGCSA-N -1 1 347.436 3.726 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1C ZINC000863428218 1137185724 /nfs/dbraw/zinc/18/57/24/1137185724.db2.gz URRSWZVAAWHJLT-UHFFFAOYSA-N -1 1 349.452 3.731 20 0 EHADMM Cc1ccncc1[C@@H](C)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794571159 1137207961 /nfs/dbraw/zinc/20/79/61/1137207961.db2.gz YFHZUXWWYCONMY-LLVKDONJSA-N -1 1 344.798 3.706 20 0 EHADMM CCOC(=O)CCN(Cc1ccccc1)Cc1c(F)cc([O-])cc1F ZINC001144545204 1137305163 /nfs/dbraw/zinc/30/51/63/1137305163.db2.gz WJHIBCCEFLLUKB-UHFFFAOYSA-N -1 1 349.377 3.626 20 0 EHADMM COc1ccccc1O[C@H]1CCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144666523 1137324960 /nfs/dbraw/zinc/32/49/60/1137324960.db2.gz MDXFWLSWTIIHIX-AWEZNQCLSA-N -1 1 349.377 3.722 20 0 EHADMM COc1cccc([C@H]2CSCCN2Cc2sccc2C(=O)[O-])c1 ZINC001144684820 1137329766 /nfs/dbraw/zinc/32/97/66/1137329766.db2.gz PPVZSTZCTBWQNL-OAHLLOKOSA-N -1 1 349.477 3.745 20 0 EHADMM C[C@@]1(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@]1(F)Cl ZINC000846397983 1137349556 /nfs/dbraw/zinc/34/95/56/1137349556.db2.gz DPOBLSWZHMHFPG-CHWSQXEVSA-N -1 1 339.716 3.846 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000846964972 1137379664 /nfs/dbraw/zinc/37/96/64/1137379664.db2.gz HRDHZCJAHYIDFX-NWANDNLSSA-N -1 1 337.847 3.591 20 0 EHADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(Br)ccc1[O-] ZINC001146662237 1137392333 /nfs/dbraw/zinc/39/23/33/1137392333.db2.gz RIXTZVDLJLRJNA-GMXVVIOVSA-N -1 1 338.245 3.853 20 0 EHADMM O=C(N[C@H](CCc1ccccc1)C(F)F)c1c(F)ccc([O-])c1F ZINC001147486005 1137408509 /nfs/dbraw/zinc/40/85/09/1137408509.db2.gz RMDLLERBIJTPGT-GFCCVEGCSA-N -1 1 341.304 3.667 20 0 EHADMM O=C(NCCc1ccc2[nH]ccc2c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148798749 1137435139 /nfs/dbraw/zinc/43/51/39/1137435139.db2.gz AZVOFFDAWHSWGL-UHFFFAOYSA-N -1 1 348.324 3.865 20 0 EHADMM O=C(Nc1cccc(Cl)c1CO)c1ccc(C(F)(F)F)cc1[O-] ZINC001148801185 1137435303 /nfs/dbraw/zinc/43/53/03/1137435303.db2.gz UZSUUPFQEMOOSA-UHFFFAOYSA-N -1 1 345.704 3.809 20 0 EHADMM C[C@@](CO)(NC(=O)c1cccc(-c2ccccc2)c1[O-])c1ccccc1 ZINC001148873665 1137435990 /nfs/dbraw/zinc/43/59/90/1137435990.db2.gz ZWZUWGCETSUNRS-QFIPXVFZSA-N -1 1 347.414 3.697 20 0 EHADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCC1=CCCCC1 ZINC000017335233 1137436204 /nfs/dbraw/zinc/43/62/04/1137436204.db2.gz KKLVRBQEBIMPOX-UHFFFAOYSA-N -1 1 348.497 3.676 20 0 EHADMM CC[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])Oc1ccccc1F ZINC001149012816 1137439238 /nfs/dbraw/zinc/43/92/38/1137439238.db2.gz YVHDKBOSGBVUQF-LBPRGKRZSA-N -1 1 337.778 3.772 20 0 EHADMM O=C([N-]Cc1ccsc1C(F)(F)F)C(F)(F)c1nccs1 ZINC000869617825 1137460035 /nfs/dbraw/zinc/46/00/35/1137460035.db2.gz LCERBTOXXXXGOD-UHFFFAOYSA-N -1 1 342.314 3.632 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc3nc(C)ccc3c2)c1 ZINC000773229480 1137480355 /nfs/dbraw/zinc/48/03/55/1137480355.db2.gz KZHDHKMVNVUGEX-UHFFFAOYSA-N -1 1 349.386 3.851 20 0 EHADMM COc1ccc(C(=O)Nc2nc3c(ccc(C)c3C)s2)c([O-])c1 ZINC001171551109 1137497377 /nfs/dbraw/zinc/49/73/77/1137497377.db2.gz JMEHSRDDEPCSSJ-UHFFFAOYSA-N -1 1 328.393 3.880 20 0 EHADMM Cc1ccccc1[C@@H](NCc1cccc(OC2CC2)c1F)C(=O)[O-] ZINC000871883424 1137562462 /nfs/dbraw/zinc/56/24/62/1137562462.db2.gz NCIRAGCMIGIPSB-GOSISDBHSA-N -1 1 329.371 3.591 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2C2CC2)c1 ZINC000872413766 1137579781 /nfs/dbraw/zinc/57/97/81/1137579781.db2.gz VHNNJHPPNFCAMP-UHFFFAOYSA-N -1 1 347.436 3.772 20 0 EHADMM Cc1ccc(-c2ocnc2C(=O)[N-]c2nc(C(C)C)ns2)cc1 ZINC000874694816 1137621379 /nfs/dbraw/zinc/62/13/79/1137621379.db2.gz CPDBPJPUNKVQLQ-UHFFFAOYSA-N -1 1 328.397 3.877 20 0 EHADMM CS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001137092698 1137636742 /nfs/dbraw/zinc/63/67/42/1137636742.db2.gz DBKZVJKWTUGCSM-GHMZBOCLSA-N -1 1 333.375 3.767 20 0 EHADMM CCN(C(=O)NCc1ccc([O-])c(Cl)c1)[C@@H]1CCOC(C)(C)C1 ZINC000876396839 1137650894 /nfs/dbraw/zinc/65/08/94/1137650894.db2.gz PSKDFJSTQHWQOI-CYBMUJFWSA-N -1 1 340.851 3.535 20 0 EHADMM CN(Cc1cccc([O-])c1Cl)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000877824552 1137692130 /nfs/dbraw/zinc/69/21/30/1137692130.db2.gz IZAJQPGLNWOHLW-HNNXBMFYSA-N -1 1 346.814 3.503 20 0 EHADMM O=C(CCOc1ccccc1-c1ccccc1)[N-]O[C@@H]1CCCCO1 ZINC000128182767 1137767371 /nfs/dbraw/zinc/76/73/71/1137767371.db2.gz HKPGTENGQVRHNP-HXUWFJFHSA-N -1 1 341.407 3.697 20 0 EHADMM CCc1cc(=O)[n-]c(SC[C@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000882159202 1137822377 /nfs/dbraw/zinc/82/23/77/1137822377.db2.gz UFDUOLVZYKHTGC-LBPRGKRZSA-N -1 1 345.251 3.877 20 0 EHADMM COc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1OC(F)F ZINC000129624962 1137826108 /nfs/dbraw/zinc/82/61/08/1137826108.db2.gz PUMHAZBMHUBOGI-UHFFFAOYSA-N -1 1 343.713 3.908 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1ccc(Cl)c(Cl)n1 ZINC000800046988 1137895598 /nfs/dbraw/zinc/89/55/98/1137895598.db2.gz ZKWMVIISUWPEKQ-BQYQJAHWSA-N -1 1 347.198 3.940 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1F)[N-]c1ccc(Cl)c(Cl)n1 ZINC000800046990 1137895607 /nfs/dbraw/zinc/89/56/07/1137895607.db2.gz ZKWMVIISUWPEKQ-FPLPWBNLSA-N -1 1 347.198 3.940 20 0 EHADMM O=c1nc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)[n-]c2ccsc21 ZINC000111306320 1137904060 /nfs/dbraw/zinc/90/40/60/1137904060.db2.gz MZOHDYIFEVINTL-GFCCVEGCSA-N -1 1 345.855 3.628 20 0 EHADMM O=c1nc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)[n-]c2ccsc21 ZINC000111306320 1137904061 /nfs/dbraw/zinc/90/40/61/1137904061.db2.gz MZOHDYIFEVINTL-GFCCVEGCSA-N -1 1 345.855 3.628 20 0 EHADMM O=C(C[C@@H]1CC[C@@H](C(F)(F)F)O1)Nc1cc(F)c([O-])cc1Cl ZINC000885682557 1138018302 /nfs/dbraw/zinc/01/83/02/1138018302.db2.gz RTOVSJPRNJTINE-KGFZYKRKSA-N -1 1 341.688 3.623 20 0 EHADMM CCOc1ccc(F)c([N-]C(=O)c2cc3nccnc3cc2F)c1F ZINC000348354600 1138019605 /nfs/dbraw/zinc/01/96/05/1138019605.db2.gz YZNMLPPLYODZLV-UHFFFAOYSA-N -1 1 347.296 3.698 20 0 EHADMM COc1cccc([C@@H](C)CC(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC000886266541 1138063035 /nfs/dbraw/zinc/06/30/35/1138063035.db2.gz PLZSUHRVNUQSCA-LBPRGKRZSA-N -1 1 349.377 3.532 20 0 EHADMM CCC[C@@H](C(=O)NCCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000067093340 1138079932 /nfs/dbraw/zinc/07/99/32/1138079932.db2.gz VSMVNQMPXFTBAY-OAHLLOKOSA-N -1 1 344.484 3.518 20 0 EHADMM CCC(CC)(C(=O)NCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000075199203 1138126258 /nfs/dbraw/zinc/12/62/58/1138126258.db2.gz LUEPZGNQDNQXSK-UHFFFAOYSA-N -1 1 346.500 3.896 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000081755338 1138171011 /nfs/dbraw/zinc/17/10/11/1138171011.db2.gz SCAAEXBPEGUWEO-CQSZACIVSA-N -1 1 347.503 3.664 20 0 EHADMM CC(C)n1c(CNC(=O)Nc2ccc(Cl)cc2F)n[n-]c1=S ZINC000085547180 1138184684 /nfs/dbraw/zinc/18/46/84/1138184684.db2.gz KJPVFTMVGMZDAM-UHFFFAOYSA-N -1 1 343.815 3.636 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000337798365 1138670762 /nfs/dbraw/zinc/67/07/62/1138670762.db2.gz FGDKPTNFLIZCDE-UHFFFAOYSA-N -1 1 335.450 3.802 20 0 EHADMM Cc1nc(C)c(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)s1 ZINC000338393891 1138885954 /nfs/dbraw/zinc/88/59/54/1138885954.db2.gz AXTFQOHEGGZRIJ-UHFFFAOYSA-N -1 1 333.800 3.919 20 0 EHADMM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cccnc1 ZINC000150998357 1138999553 /nfs/dbraw/zinc/99/95/53/1138999553.db2.gz FRPBSZXVMZKELO-OAHLLOKOSA-N -1 1 345.468 3.570 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@@H]3C3CCCC3)c2)o1 ZINC000889417613 1139205717 /nfs/dbraw/zinc/20/57/17/1139205717.db2.gz HRQFKMBBVHNBHP-QGZVFWFLSA-N -1 1 339.391 3.869 20 0 EHADMM CCOc1cc(C(=O)NC[C@@H](OC)c2ccccc2)cc(Cl)c1[O-] ZINC000186447567 1140204852 /nfs/dbraw/zinc/20/48/52/1140204852.db2.gz IQGNTVAEMRNMHW-MRXNPFEDSA-N -1 1 349.814 3.562 20 0 EHADMM COCCCCN(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000271299283 1141341817 /nfs/dbraw/zinc/34/18/17/1141341817.db2.gz UHUCGASEPAJGMI-UHFFFAOYSA-N -1 1 331.387 3.600 20 0 EHADMM O=C(C[C@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000271453475 1141371114 /nfs/dbraw/zinc/37/11/14/1141371114.db2.gz SIHXZYJXDQCECE-CQSZACIVSA-N -1 1 345.370 3.782 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@H](C)CCSC)cc(Cl)c1[O-] ZINC000273925339 1141447591 /nfs/dbraw/zinc/44/75/91/1141447591.db2.gz GPTVWXGIBKLXMM-SNVBAGLBSA-N -1 1 331.865 3.658 20 0 EHADMM CC(C)(CNC(=O)c1cncc([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000348842464 1141594236 /nfs/dbraw/zinc/59/42/36/1141594236.db2.gz HYIUSPYSCVTHIH-UHFFFAOYSA-N -1 1 338.329 3.514 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(C)c1C ZINC000071965830 215982565 /nfs/dbraw/zinc/98/25/65/215982565.db2.gz VOWKPZRMPWHNMM-UHFFFAOYSA-N -1 1 343.452 3.906 20 0 EHADMM CCOc1cc(C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)cc(Cl)c1[O-] ZINC000616443936 479909223 /nfs/dbraw/zinc/90/92/23/479909223.db2.gz TVWBGCUNLGGSTK-SCZZXKLOSA-N -1 1 335.791 3.543 20 0 EHADMM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000158729388 534746416 /nfs/dbraw/zinc/74/64/16/534746416.db2.gz MVXRGJJHTZLTJX-UHFFFAOYSA-N -1 1 337.400 3.718 20 0 EHADMM C[C@@H](Sc1c2ccccc2nnc1-c1nn[n-]n1)c1cccs1 ZINC000736193437 598970416 /nfs/dbraw/zinc/97/04/16/598970416.db2.gz RBHMMVFDXAZSNO-SECBINFHSA-N -1 1 340.437 3.725 20 0 EHADMM C[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Sc1ccccc1 ZINC000820280959 599080617 /nfs/dbraw/zinc/08/06/17/599080617.db2.gz PZSWOKGPTYQOKX-SNVBAGLBSA-N -1 1 346.847 3.508 20 0 EHADMM C[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Sc1ccccc1 ZINC000820280959 599080618 /nfs/dbraw/zinc/08/06/18/599080618.db2.gz PZSWOKGPTYQOKX-SNVBAGLBSA-N -1 1 346.847 3.508 20 0 EHADMM CC(C)(C)[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735598222 599170725 /nfs/dbraw/zinc/17/07/25/599170725.db2.gz YETITOHSZPIJRI-VIFPVBQESA-N -1 1 340.884 3.629 20 0 EHADMM CC(C)(C)[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735598222 599170726 /nfs/dbraw/zinc/17/07/26/599170726.db2.gz YETITOHSZPIJRI-VIFPVBQESA-N -1 1 340.884 3.629 20 0 EHADMM c1cc(-c2nn[n-]n2)sc1CNc1cccc(OC2CCCC2)c1 ZINC000823757244 607309257 /nfs/dbraw/zinc/30/92/57/607309257.db2.gz MYJXHSIRCPWGPZ-UHFFFAOYSA-N -1 1 341.440 3.862 20 0 EHADMM Clc1nsc(N2CCC3(CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000737585065 598353597 /nfs/dbraw/zinc/35/35/97/598353597.db2.gz XVKZCIKHBYHXFD-UHFFFAOYSA-N -1 1 338.868 3.527 20 0 EHADMM Clc1nsc(N2CCC3(CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000737585065 598353598 /nfs/dbraw/zinc/35/35/98/598353598.db2.gz XVKZCIKHBYHXFD-UHFFFAOYSA-N -1 1 338.868 3.527 20 0 EHADMM C[C@@H]1C[C@H]1c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000820676090 599484629 /nfs/dbraw/zinc/48/46/29/599484629.db2.gz LPKKLKOJUPUOCG-BXUZGUMPSA-N -1 1 346.394 3.743 20 0 EHADMM C[C@@H]1C[C@H]1c1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000820676090 599484631 /nfs/dbraw/zinc/48/46/31/599484631.db2.gz LPKKLKOJUPUOCG-BXUZGUMPSA-N -1 1 346.394 3.743 20 0 EHADMM Cc1ccc([C@@H](C)CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000737321270 599531101 /nfs/dbraw/zinc/53/11/01/599531101.db2.gz SDNNGYLWDUNGCY-VIFPVBQESA-N -1 1 334.836 3.501 20 0 EHADMM Cc1ccc([C@@H](C)CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000737321270 599531103 /nfs/dbraw/zinc/53/11/03/599531103.db2.gz SDNNGYLWDUNGCY-VIFPVBQESA-N -1 1 334.836 3.501 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(F)ccc1F)c1ccccc1C(F)(F)F ZINC000739501808 599792006 /nfs/dbraw/zinc/79/20/06/599792006.db2.gz ZENILXSDGAIOBI-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM C[C@@H](CN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CC1)C(=O)[O-] ZINC000578076575 599948202 /nfs/dbraw/zinc/94/82/02/599948202.db2.gz PQCKXOYACZDJDW-NSHDSACASA-N -1 1 334.803 3.680 20 0 EHADMM C[C@H](CN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CC1)C(=O)[O-] ZINC000571767668 599950252 /nfs/dbraw/zinc/95/02/52/599950252.db2.gz DHCBYGPLPHSEES-LLVKDONJSA-N -1 1 334.803 3.680 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000740078449 600102848 /nfs/dbraw/zinc/10/28/48/600102848.db2.gz IWJHZJRZPLSNNP-MRXNPFEDSA-N -1 1 343.354 3.590 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N(C)C[C@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738230815 600145085 /nfs/dbraw/zinc/14/50/85/600145085.db2.gz QVZABAGYIHHWQB-WFASDCNBSA-N -1 1 342.439 3.636 20 0 EHADMM Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cccc(C(=O)[O-])c2)cc1 ZINC000738584357 600218764 /nfs/dbraw/zinc/21/87/64/600218764.db2.gz YFTPDCZKJDTRJU-SFHVURJKSA-N -1 1 327.449 3.983 20 0 EHADMM Cc1ccc([C@@H]2CSCCN2Cc2cccc(C(=O)[O-])c2)cc1 ZINC000738584357 600218766 /nfs/dbraw/zinc/21/87/66/600218766.db2.gz YFTPDCZKJDTRJU-SFHVURJKSA-N -1 1 327.449 3.983 20 0 EHADMM O=C([O-])C1(NCc2cc(-c3ccc(Cl)cc3)no2)CCCCC1 ZINC000739513755 600319789 /nfs/dbraw/zinc/31/97/89/600319789.db2.gz LQRMVRMBFMFERP-UHFFFAOYSA-N -1 1 334.803 3.872 20 0 EHADMM C[C@@H]1c2ccc(F)cc2CCN1CCOc1cccc(C(=O)[O-])c1 ZINC000736840506 600441321 /nfs/dbraw/zinc/44/13/21/600441321.db2.gz NQIUZFPLWHABFZ-CYBMUJFWSA-N -1 1 329.371 3.522 20 0 EHADMM COc1ccc2cc(CN[C@H](C(=O)[O-])c3ccccc3F)ccc2c1 ZINC000426804070 600734126 /nfs/dbraw/zinc/73/41/26/600734126.db2.gz RSAQDROJLVDAOI-IBGZPJMESA-N -1 1 339.366 3.903 20 0 EHADMM O=C([O-])[C@H](N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1 ZINC000833168373 600758365 /nfs/dbraw/zinc/75/83/65/600758365.db2.gz XLSKKIOJWWMHOP-TZMCWYRMSA-N -1 1 338.190 3.842 20 0 EHADMM COc1ccccc1CN(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000515305670 600815755 /nfs/dbraw/zinc/81/57/55/600815755.db2.gz FJOHHAWSHNQSPR-UHFFFAOYSA-N -1 1 349.814 3.558 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000248513549 600986849 /nfs/dbraw/zinc/98/68/49/600986849.db2.gz DIJGLYUFBPVBJT-LNSITVRQSA-N -1 1 349.381 3.649 20 0 EHADMM O=C([O-])[C@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)c1ccccc1 ZINC000739512091 600987272 /nfs/dbraw/zinc/98/72/72/600987272.db2.gz LTTUJYSIIGXOJE-CYBMUJFWSA-N -1 1 347.346 3.668 20 0 EHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(OCC2CC2)c1 ZINC000832934418 601494820 /nfs/dbraw/zinc/49/48/20/601494820.db2.gz QMVSQKYOELDMIN-IBGZPJMESA-N -1 1 343.398 3.838 20 0 EHADMM CC(C)c1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000824347763 607532233 /nfs/dbraw/zinc/53/22/33/607532233.db2.gz NATIZDGCWZBUBO-UHFFFAOYSA-N -1 1 325.441 3.819 20 0 EHADMM CC(C)c1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000824347763 607532234 /nfs/dbraw/zinc/53/22/34/607532234.db2.gz NATIZDGCWZBUBO-UHFFFAOYSA-N -1 1 325.441 3.819 20 0 EHADMM C[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000824757670 607533850 /nfs/dbraw/zinc/53/38/50/607533850.db2.gz ZXHTVRSBUPKBEJ-VIFPVBQESA-N -1 1 333.367 3.534 20 0 EHADMM C[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000824757670 607533853 /nfs/dbraw/zinc/53/38/53/607533853.db2.gz ZXHTVRSBUPKBEJ-VIFPVBQESA-N -1 1 333.367 3.534 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1OC(F)(F)F ZINC000830819321 601941230 /nfs/dbraw/zinc/94/12/30/601941230.db2.gz CTMNQWSAQNNWJW-UHFFFAOYSA-N -1 1 345.342 3.977 20 0 EHADMM O=C([O-])c1csc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000191348030 602283930 /nfs/dbraw/zinc/28/39/30/602283930.db2.gz DTOIYXBXGOEOOI-UHFFFAOYSA-N -1 1 347.783 3.742 20 0 EHADMM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000739030913 602730598 /nfs/dbraw/zinc/73/05/98/602730598.db2.gz HCFNUOJXEZMTAX-GFCCVEGCSA-N -1 1 334.366 3.626 20 0 EHADMM Cc1c(CNCc2ccc(NC(=O)[O-])nc2)oc2ccc(F)cc12 ZINC000829858638 603541846 /nfs/dbraw/zinc/54/18/46/603541846.db2.gz CCKRPSNEZISDEE-UHFFFAOYSA-N -1 1 329.331 3.655 20 0 EHADMM Cc1cc(Oc2snc(Cl)c2-c2nn[n-]n2)ccc1Cl ZINC000826271719 608170887 /nfs/dbraw/zinc/17/08/87/608170887.db2.gz DTHPKIBULKSDSL-UHFFFAOYSA-N -1 1 328.184 3.731 20 0 EHADMM CCOc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1F ZINC000827434539 603859180 /nfs/dbraw/zinc/85/91/80/603859180.db2.gz SSLDXYHFRFLZIN-UHFFFAOYSA-N -1 1 344.386 3.555 20 0 EHADMM Cc1ccccc1-c1cnc(CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)o1 ZINC000830545644 604254596 /nfs/dbraw/zinc/25/45/96/604254596.db2.gz LCYRYIHAWFTTET-GJZGRUSLSA-N -1 1 343.427 3.518 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000833206874 604337632 /nfs/dbraw/zinc/33/76/32/604337632.db2.gz BTEAFAYFWXYHKJ-NSHDSACASA-N -1 1 342.317 3.676 20 0 EHADMM CC(C)(C)c1ccccc1NC(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833449066 604477746 /nfs/dbraw/zinc/47/77/46/604477746.db2.gz GIRNDMOBIRDNOP-UHFFFAOYSA-N -1 1 346.471 3.690 20 0 EHADMM C[C@H](Oc1ccc(CN(C)Cc2ccc(Cl)s2)cc1)C(=O)[O-] ZINC000833539499 604519939 /nfs/dbraw/zinc/51/99/39/604519939.db2.gz ZQISJQSYYZQYTH-NSHDSACASA-N -1 1 339.844 3.885 20 0 EHADMM CC(C)Cc1ncc(CN(CCC(=O)[O-])Cc2ccccc2)s1 ZINC000833492288 604541968 /nfs/dbraw/zinc/54/19/68/604541968.db2.gz FGWJFNKJQGOJNS-UHFFFAOYSA-N -1 1 332.469 3.819 20 0 EHADMM Cc1ccc(-c2ncc(CN3CCSC[C@H]3CC(=O)[O-])s2)cc1 ZINC000833746519 604661753 /nfs/dbraw/zinc/66/17/53/604661753.db2.gz IVPQRBPLOKTKIN-CQSZACIVSA-N -1 1 348.493 3.511 20 0 EHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccnc2)c(OCCC(C)C)c1 ZINC000832934238 605007486 /nfs/dbraw/zinc/00/74/86/605007486.db2.gz PJBBLDQQBCMUJE-IBGZPJMESA-N -1 1 342.439 3.730 20 0 EHADMM CC(C)(C(=O)[O-])[C@H](NCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000833412999 605177663 /nfs/dbraw/zinc/17/76/63/605177663.db2.gz GGIAEYVTQGMPIY-GOSISDBHSA-N -1 1 341.455 3.940 20 0 EHADMM CC(C)OC(=O)C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833503166 605269047 /nfs/dbraw/zinc/26/90/47/605269047.db2.gz XPQALVWQWWCUJA-HNNXBMFYSA-N -1 1 347.436 3.619 20 0 EHADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)c1ccccc1 ZINC000820462124 606141983 /nfs/dbraw/zinc/14/19/83/606141983.db2.gz VDLMDQZKCHOXOR-DTWKUNHWSA-N -1 1 334.836 3.581 20 0 EHADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000820462124 606141984 /nfs/dbraw/zinc/14/19/84/606141984.db2.gz VDLMDQZKCHOXOR-DTWKUNHWSA-N -1 1 334.836 3.581 20 0 EHADMM CCC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000820843324 607034742 /nfs/dbraw/zinc/03/47/42/607034742.db2.gz WLROECUHBRJYCN-UHFFFAOYSA-N -1 1 330.294 3.530 20 0 EHADMM CCC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000820843324 607034744 /nfs/dbraw/zinc/03/47/44/607034744.db2.gz WLROECUHBRJYCN-UHFFFAOYSA-N -1 1 330.294 3.530 20 0 EHADMM FC(F)(F)c1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826369100 608168926 /nfs/dbraw/zinc/16/89/26/608168926.db2.gz MRRSBKNNXRRPTG-UHFFFAOYSA-N -1 1 347.709 3.788 20 0 EHADMM Cc1c(C(=O)[O-])cc(CN[C@H](C)c2ccccc2OC(C)C)n1C ZINC000326290573 971280045 /nfs/dbraw/zinc/28/00/45/971280045.db2.gz BPSOFHGKATYJND-CYBMUJFWSA-N -1 1 330.428 3.670 20 0 EHADMM O=C([O-])c1ccc(CN[C@H](c2ccccc2)c2ccncc2)cc1F ZINC000327841899 971428855 /nfs/dbraw/zinc/42/88/55/971428855.db2.gz HIWXJEQGTNFSFE-LJQANCHMSA-N -1 1 336.366 3.798 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001595012514 951262529 /nfs/dbraw/zinc/26/25/29/951262529.db2.gz KHIRXMARALBRQM-CQSZACIVSA-N -1 1 349.818 3.609 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001595012513 951263351 /nfs/dbraw/zinc/26/33/51/951263351.db2.gz KHIRXMARALBRQM-AWEZNQCLSA-N -1 1 349.818 3.609 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC001589307778 953758669 /nfs/dbraw/zinc/75/86/69/953758669.db2.gz DCGKQNNDUJPNQS-NXEZZACHSA-N -1 1 342.317 3.532 20 0 EHADMM O=C([O-])CCC1CCN(Cc2coc(-c3ccccc3F)n2)CC1 ZINC000629489621 953821788 /nfs/dbraw/zinc/82/17/88/953821788.db2.gz KDHFWOLDGCSVHK-UHFFFAOYSA-N -1 1 332.375 3.558 20 0 EHADMM Cc1c(Cl)cccc1N1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000903712541 956909700 /nfs/dbraw/zinc/90/97/00/956909700.db2.gz NCJKXWZANVHPQJ-UHFFFAOYSA-N -1 1 344.842 3.669 20 0 EHADMM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])s2)cc1Cl ZINC001594092006 958353332 /nfs/dbraw/zinc/35/33/32/958353332.db2.gz HMYBTAULPKJMQU-UHFFFAOYSA-N -1 1 325.817 3.740 20 0 EHADMM Cc1cccc([C@@H](NCc2ccnc(Cl)c2Cl)C(=O)[O-])c1 ZINC001594397624 958783645 /nfs/dbraw/zinc/78/36/45/958783645.db2.gz KZEFFQSJKHTYPW-CYBMUJFWSA-N -1 1 325.195 3.612 20 0 EHADMM O=C([O-])[C@H]1CCCCCN1Cc1ccc(Br)cc1Cl ZINC000133689117 958818250 /nfs/dbraw/zinc/81/82/50/958818250.db2.gz KLSSDXWAOGWSHB-CYBMUJFWSA-N -1 1 346.652 3.932 20 0 EHADMM O=C([O-])C[C@H]1CCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137275606 958920306 /nfs/dbraw/zinc/92/03/06/958920306.db2.gz ZBRCTPCXTVHXSQ-SNVBAGLBSA-N -1 1 332.625 3.542 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)[nH]n2)cc1 ZINC001574348552 960978689 /nfs/dbraw/zinc/97/86/89/960978689.db2.gz ZQJFDZALGMVHCS-UHFFFAOYSA-N -1 1 335.363 3.644 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)CC2(CCCCC2)O1 ZINC001327712428 961178297 /nfs/dbraw/zinc/17/82/97/961178297.db2.gz YTDICFOBFYSZDV-CJNGLKHVSA-N -1 1 337.847 3.889 20 0 EHADMM CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC001327857615 961185490 /nfs/dbraw/zinc/18/54/90/961185490.db2.gz JSMHFPLEGZXIOX-UHFFFAOYSA-N -1 1 347.386 3.563 20 0 EHADMM CCc1oc(CN2CCC[C@@H]2c2cccc(OC)c2)cc1C(=O)[O-] ZINC001334030870 961755472 /nfs/dbraw/zinc/75/54/72/961755472.db2.gz BFZUQJDGIFASQO-QGZVFWFLSA-N -1 1 329.396 3.886 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2Br)C1 ZINC000263153014 967854643 /nfs/dbraw/zinc/85/46/43/967854643.db2.gz FMUAQSXKFHXBRO-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM CCn1nc(CN[C@H](CCC(=O)[O-])c2ccccc2)c2ccccc21 ZINC000417601906 973963992 /nfs/dbraw/zinc/96/39/92/973963992.db2.gz MZKYXQSSZVESOK-QGZVFWFLSA-N -1 1 337.423 3.752 20 0 EHADMM COc1c(Cl)cc(Cl)cc1CN[C@H](C(=O)[O-])c1cccs1 ZINC000426808279 974049628 /nfs/dbraw/zinc/04/96/28/974049628.db2.gz QZTBPEMGXVMFLC-LBPRGKRZSA-N -1 1 346.235 3.979 20 0 EHADMM O=C([O-])CC1CCN(Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000567359064 974633127 /nfs/dbraw/zinc/63/31/27/974633127.db2.gz IDHLSUSDGWTSOY-UHFFFAOYSA-N -1 1 334.803 3.682 20 0 EHADMM CN(C[C@H]1CCCCO1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000570689685 974716866 /nfs/dbraw/zinc/71/68/66/974716866.db2.gz RSNOISYNTTUFFS-YGRLFVJLSA-N -1 1 332.227 3.620 20 0 EHADMM C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000625970100 975067016 /nfs/dbraw/zinc/06/70/16/975067016.db2.gz HHOAXAPLAPWHMW-JOYOIKCWSA-N -1 1 335.753 3.901 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2cccnc2C(F)(F)F)[C@H]2CCCC[C@@H]12 ZINC000629363351 975083867 /nfs/dbraw/zinc/08/38/67/975083867.db2.gz GYDAQVDGMUGZSS-MJBXVCDLSA-N -1 1 342.361 3.566 20 0 EHADMM COc1cc2c(cc1NCc1cccc([O-])c1Cl)NC(=O)CC2 ZINC000339353053 1014271527 /nfs/dbraw/zinc/27/15/27/1014271527.db2.gz UHTBGCPSKGGZBU-UHFFFAOYSA-N -1 1 332.787 3.551 20 0 EHADMM Cc1nc(C(C)C)ccc1CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656757645 975684784 /nfs/dbraw/zinc/68/47/84/975684784.db2.gz SCEJVFZMADPCFR-KGLIPLIRSA-N -1 1 344.377 3.598 20 0 EHADMM O=C([O-])c1ccc(-c2nc(CN3CCC[C@H](CCF)C3)co2)cc1 ZINC000656763923 975694525 /nfs/dbraw/zinc/69/45/25/975694525.db2.gz UBFYLTNPWSSXSU-CYBMUJFWSA-N -1 1 332.375 3.611 20 0 EHADMM COc1ccc(Cl)cc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656766093 975699065 /nfs/dbraw/zinc/69/90/65/975699065.db2.gz QAZUVDFFJGDUFB-JYJNAYRXSA-N -1 1 337.847 3.814 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1 ZINC000662211502 975899367 /nfs/dbraw/zinc/89/93/67/975899367.db2.gz PPYADVNYCHGVNQ-LLVKDONJSA-N -1 1 331.334 3.504 20 0 EHADMM CC(C)Oc1cccc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001591796385 976008144 /nfs/dbraw/zinc/00/81/44/976008144.db2.gz HUUQUQIDRMMZSE-HNNXBMFYSA-N -1 1 343.423 3.788 20 0 EHADMM CC(C)c1[nH]c(CN2CCC(c3ccncc3)CC2)cc1C(=O)[O-] ZINC001591912337 976341047 /nfs/dbraw/zinc/34/10/47/976341047.db2.gz KNFUGMJQGFFNPA-UHFFFAOYSA-N -1 1 327.428 3.611 20 0 EHADMM C[C@@H](CN(C(=O)c1cc(Cl)c2ccccc2c1O)C1CC1)C(=O)[O-] ZINC001592562712 978451419 /nfs/dbraw/zinc/45/14/19/978451419.db2.gz IPMNVSTVSOYSIH-JTQLQIEISA-N -1 1 347.798 3.524 20 0 EHADMM C[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)Oc1ccc(Cl)cc1 ZINC001592705390 979169131 /nfs/dbraw/zinc/16/91/31/979169131.db2.gz DQRBLJBKCBRWFX-UWVGGRQHSA-N -1 1 340.832 3.613 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(C(F)F)CC2)c(C(F)(F)F)c1 ZINC000901433993 980282537 /nfs/dbraw/zinc/28/25/37/980282537.db2.gz PABQJQDSLRDNQG-UHFFFAOYSA-N -1 1 337.288 3.881 20 0 EHADMM C[C@@H](Cc1ccsc1)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000901586352 980393272 /nfs/dbraw/zinc/39/32/72/980393272.db2.gz GQEUSEKVVLBGHJ-LBPRGKRZSA-N -1 1 340.448 3.917 20 0 EHADMM CC[C@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1nc(C)cs1 ZINC001595299609 980429431 /nfs/dbraw/zinc/42/94/31/980429431.db2.gz ZQJQFINMANNYBN-HNNXBMFYSA-N -1 1 341.436 3.939 20 0 EHADMM Cc1cc(CNCc2cccc(OC3CCCC3)c2)oc1C(=O)[O-] ZINC000901942993 980642855 /nfs/dbraw/zinc/64/28/55/980642855.db2.gz RPDHCXQOYPRJKP-UHFFFAOYSA-N -1 1 329.396 3.897 20 0 EHADMM CC[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1OC(F)F ZINC000902121846 980744962 /nfs/dbraw/zinc/74/49/62/980744962.db2.gz ZDSBKIDRUNGREN-LBPRGKRZSA-N -1 1 325.311 3.820 20 0 EHADMM CC[C@@H](C)C(=O)Nc1cccc(CNCc2cc(C(=O)[O-])oc2C)c1 ZINC000902143210 980755437 /nfs/dbraw/zinc/75/54/37/980755437.db2.gz FXKSCMUJHQHTPI-GFCCVEGCSA-N -1 1 344.411 3.561 20 0 EHADMM COc1ccc2oc([C@H](C)NCc3cccc(C(=O)[O-])n3)c(C)c2c1 ZINC000902227288 980791372 /nfs/dbraw/zinc/79/13/72/980791372.db2.gz YAKAGQDQGDYNII-LBPRGKRZSA-N -1 1 340.379 3.694 20 0 EHADMM CC[C@@](C)(NCc1ccc(O[C@H](C)C(=O)[O-])cc1)c1nc(C)cs1 ZINC000902293843 980820772 /nfs/dbraw/zinc/82/07/72/980820772.db2.gz RGGJEPJHVLICMG-FZKQIMNGSA-N -1 1 348.468 3.718 20 0 EHADMM CC[C@]1(C)CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001595368742 980830085 /nfs/dbraw/zinc/83/00/85/980830085.db2.gz JEJCXQQYQFZMNK-CQSZACIVSA-N -1 1 330.222 3.752 20 0 EHADMM CCC1(C)CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC1 ZINC001595371285 980849699 /nfs/dbraw/zinc/84/96/99/980849699.db2.gz XOUBPIXDCISBEK-UHFFFAOYSA-N -1 1 338.473 3.514 20 0 EHADMM CCC1(CC)CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001595374964 980890462 /nfs/dbraw/zinc/89/04/62/980890462.db2.gz HMDDLBVRWXTFHG-AWEZNQCLSA-N -1 1 334.460 3.803 20 0 EHADMM O=C([O-])c1cnc([C@@H]2CCN(Cc3cc(F)cc(Cl)c3)C2)s1 ZINC000905740396 981133513 /nfs/dbraw/zinc/13/35/13/981133513.db2.gz PAOJSNWIWAXENN-SNVBAGLBSA-N -1 1 340.807 3.623 20 0 EHADMM CC[C@H]1CN(Cc2ncc(C(=O)[O-])s2)CC[C@@H]1c1ccccc1 ZINC001595491051 981245206 /nfs/dbraw/zinc/24/52/06/981245206.db2.gz LELQHHHSDLKXKJ-ZFWWWQNUSA-N -1 1 330.453 3.857 20 0 EHADMM CCSc1cccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683172792 1014739262 /nfs/dbraw/zinc/73/92/62/1014739262.db2.gz HMBRNBVHCIQQDT-MRXNPFEDSA-N -1 1 337.391 3.992 20 0 EHADMM CCC[C@H]1CCCN([C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001595622584 981711751 /nfs/dbraw/zinc/71/17/51/981711751.db2.gz UXLOPUYCAIMBGG-OLZOCXBDSA-N -1 1 338.473 3.594 20 0 EHADMM CCCOc1ccc2c(c1)CCN(Cc1ccsc1C(=O)[O-])C2 ZINC001595967254 983177817 /nfs/dbraw/zinc/17/78/17/983177817.db2.gz IMVVGEXMZUZRNH-UHFFFAOYSA-N -1 1 331.437 3.793 20 0 EHADMM Cc1cc(C)cc(OCCSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000685575277 1033585627 /nfs/dbraw/zinc/58/56/27/1033585627.db2.gz FYRADARXEOPXAT-UHFFFAOYSA-N -1 1 326.368 3.908 20 0 EHADMM C[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1Cl ZINC001599901611 984841072 /nfs/dbraw/zinc/84/10/72/984841072.db2.gz QDKWWCYBWZDPNT-NSHDSACASA-N -1 1 337.778 3.793 20 0 EHADMM Cc1[nH]c(CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1C(=O)[O-] ZINC001599964816 985882066 /nfs/dbraw/zinc/88/20/66/985882066.db2.gz 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HJWLXTVHULELED-VIFPVBQESA-N -1 1 325.195 3.937 20 0 EHADMM C[C@@H](NCc1ccc(Cl)c(Cl)c1)c1cncc(C(=O)[O-])c1 ZINC001593299899 994725389 /nfs/dbraw/zinc/72/53/89/994725389.db2.gz XULHAKSIZYQUSV-SECBINFHSA-N -1 1 325.195 3.937 20 0 EHADMM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccc(-c2ccncc2)cc1 ZINC001593303383 994735017 /nfs/dbraw/zinc/73/50/17/994735017.db2.gz BZORYTINCBLHMN-CQSZACIVSA-N -1 1 333.391 3.693 20 0 EHADMM C[C@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC001593353339 994977387 /nfs/dbraw/zinc/97/73/87/994977387.db2.gz UEQDABGFXZPJFF-RYUDHWBXSA-N -1 1 343.358 3.714 20 0 EHADMM C[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccccc1OCC(=O)[O-] ZINC001593353814 994985295 /nfs/dbraw/zinc/98/52/95/994985295.db2.gz FWKRNWFEIZGKQU-SJKOYZFVSA-N -1 1 329.371 3.627 20 0 EHADMM C[C@@H](Oc1ccccc1CNCc1ccc(C(C)(F)F)cc1)C(=O)[O-] ZINC001593649897 996005826 /nfs/dbraw/zinc/00/58/26/996005826.db2.gz ZMOSQZRJNYOGMO-CYBMUJFWSA-N -1 1 349.377 3.940 20 0 EHADMM C[C@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001593815878 996552146 /nfs/dbraw/zinc/55/21/46/996552146.db2.gz FZMGMZGBVPFVBY-YPMHNXCESA-N -1 1 339.716 3.879 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CCS[C@H](c2ccccc2)C1 ZINC001599499700 997093003 /nfs/dbraw/zinc/09/30/03/997093003.db2.gz AFGPDHMCEMQXOF-SFHVURJKSA-N -1 1 343.448 3.684 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2cccc(C(=O)[O-])c2)cc1F ZINC001599539799 997815219 /nfs/dbraw/zinc/81/52/19/997815219.db2.gz UUUMSGVGLJOQOX-KRWDZBQOSA-N -1 1 329.371 3.870 20 0 EHADMM COCCN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H](C)c1ccccc1 ZINC001599238450 997989955 /nfs/dbraw/zinc/98/99/55/997989955.db2.gz OBKKHAMVEJMFQA-NKSUMMKUSA-N -1 1 329.396 3.587 20 0 EHADMM COCCN(Cc1csc(C(=O)[O-])c1)Cc1ccc(C)cc1C ZINC001599239560 998011803 /nfs/dbraw/zinc/01/18/03/998011803.db2.gz FJYUNGDNFXDUMB-UHFFFAOYSA-N -1 1 333.453 3.712 20 0 EHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1coc(-c2ccccc2F)n1 ZINC001594210917 998820659 /nfs/dbraw/zinc/82/06/59/998820659.db2.gz XIKAEQNZXNYCMD-RYUDHWBXSA-N -1 1 332.375 3.554 20 0 EHADMM C[Si](C)(C)c1ccc(CCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC001167146087 1016317559 /nfs/dbraw/zinc/31/75/59/1016317559.db2.gz KEARXRPBGVHYCI-UHFFFAOYSA-N -1 1 347.918 3.563 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1C ZINC000340131054 1016387840 /nfs/dbraw/zinc/38/78/40/1016387840.db2.gz UMZNKPRSXSKCTD-UHFFFAOYSA-N -1 1 340.404 3.547 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000109042467 1016647148 /nfs/dbraw/zinc/64/71/48/1016647148.db2.gz XPINZNUVAVTUAD-UHFFFAOYSA-N -1 1 337.206 3.899 20 0 EHADMM CC1(C)CCCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000119600585 1040191115 /nfs/dbraw/zinc/19/11/15/1040191115.db2.gz QCVMBZMPOSNUAT-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM CC(=O)c1cc(F)c([N-]C(=O)c2noc3c2CCCCC3)c(F)c1 ZINC000275422555 1016741909 /nfs/dbraw/zinc/74/19/09/1016741909.db2.gz AIFHXUFSQOEALO-UHFFFAOYSA-N -1 1 334.322 3.677 20 0 EHADMM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(F)cc3[O-])c12 ZINC000340329205 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CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436846523 1021292134 /nfs/dbraw/zinc/29/21/34/1021292134.db2.gz HHRYGLLDHGDVQF-NSHDSACASA-N -1 1 343.814 3.906 20 0 EHADMM O=C(NCCc1ccccc1C(F)(F)F)c1ccc([O-])cc1F ZINC000436870565 1021310594 /nfs/dbraw/zinc/31/05/94/1021310594.db2.gz QDUALNLMUXLRIQ-UHFFFAOYSA-N -1 1 327.277 3.523 20 0 EHADMM CCOc1nc(C)ccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436875483 1021320648 /nfs/dbraw/zinc/32/06/48/1021320648.db2.gz XNYOIBZRTUVKGG-UHFFFAOYSA-N -1 1 331.759 3.865 20 0 EHADMM Cc1ccc(-n2ccnc2)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436877804 1021327950 /nfs/dbraw/zinc/32/79/50/1021327950.db2.gz HRKGIACWIZLMMY-UHFFFAOYSA-N -1 1 336.326 3.742 20 0 EHADMM CCn1c(NC(=O)c2ccc3ccccc3c2[O-])nc2cccnc21 ZINC000436878599 1021328937 /nfs/dbraw/zinc/32/89/37/1021328937.db2.gz FZRXRZKWKZMXNV-UHFFFAOYSA-N -1 1 332.363 3.562 20 0 EHADMM O=C(Nc1ccc(OC2CCCCC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436896116 1021358041 /nfs/dbraw/zinc/35/80/41/1021358041.db2.gz 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CC(C)C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000607108683 1032988529 /nfs/dbraw/zinc/98/85/29/1032988529.db2.gz SEKUYBXJCNHHSG-NSHDSACASA-N -1 1 326.322 3.592 20 0 EHADMM CC[C@@H](C)Sc1ccc([N-]S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000130143854 1021699892 /nfs/dbraw/zinc/69/98/92/1021699892.db2.gz GDCFPPVQMNVIKI-MRVPVSSYSA-N -1 1 327.393 3.968 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1 ZINC000437309457 1021731883 /nfs/dbraw/zinc/73/18/83/1021731883.db2.gz UTILKODGQOBIBH-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM CCC[C@H](C(=O)[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000516776648 1021734423 /nfs/dbraw/zinc/73/44/23/1021734423.db2.gz BVSLIYNWCZUZPK-ZIAGYGMSSA-N -1 1 332.227 3.620 20 0 EHADMM COc1cccc([C@H](C)CC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000440066325 1021930928 /nfs/dbraw/zinc/93/09/28/1021930928.db2.gz WTARMZXEFMVRRM-GFCCVEGCSA-N -1 1 341.436 3.701 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000440290908 1022071138 /nfs/dbraw/zinc/07/11/38/1022071138.db2.gz DERXBJCQDDVYFE-UHFFFAOYSA-N -1 1 335.400 3.648 20 0 EHADMM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccccc1[O-] ZINC000440323291 1022103124 /nfs/dbraw/zinc/10/31/24/1022103124.db2.gz CIWTWFBQCLOCKQ-UHFFFAOYSA-N -1 1 345.811 3.740 20 0 EHADMM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000187753248 1022238469 /nfs/dbraw/zinc/23/84/69/1022238469.db2.gz MLWUIVZVCQMRQU-LBPRGKRZSA-N -1 1 339.370 3.516 20 0 EHADMM CCc1c(Cl)cc(Nc2cnn(C(C)(C)CO)c2)c([O-])c1Cl ZINC001213411065 1033042022 /nfs/dbraw/zinc/04/20/22/1033042022.db2.gz IOPQXGMJMQOVLI-UHFFFAOYSA-N -1 1 344.242 3.929 20 0 EHADMM C[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000519548929 1022329880 /nfs/dbraw/zinc/32/98/80/1022329880.db2.gz PGYKSVBSDCTBQE-CHWSQXEVSA-N -1 1 330.453 3.986 20 0 EHADMM CCC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000112868546 1022347044 /nfs/dbraw/zinc/34/70/44/1022347044.db2.gz QWTKUKQKEDKXEC-CQSZACIVSA-N -1 1 346.452 3.862 20 0 EHADMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473936429 1022361322 /nfs/dbraw/zinc/36/13/22/1022361322.db2.gz IKAISMKQHBIHSJ-ZETCQYMHSA-N -1 1 335.800 3.719 20 0 EHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000425971579 1022516954 /nfs/dbraw/zinc/51/69/54/1022516954.db2.gz QPMVMIDNBFFWLO-UHFFFAOYSA-N -1 1 349.839 3.968 20 0 EHADMM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cc(Cl)ccc1Cl ZINC000510506088 1022604854 /nfs/dbraw/zinc/60/48/54/1022604854.db2.gz LXMKRXWMQRHNAX-UHFFFAOYSA-N -1 1 348.173 3.614 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000438815478 1023014728 /nfs/dbraw/zinc/01/47/28/1023014728.db2.gz SBYLUCAJKFLLEB-UHFFFAOYSA-N -1 1 337.416 3.860 20 0 EHADMM COc1ccccc1[C@@H](NCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000426764372 1023016690 /nfs/dbraw/zinc/01/66/90/1023016690.db2.gz ITOXMARAPNHDTN-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc1Cl ZINC000438820847 1023037931 /nfs/dbraw/zinc/03/79/31/1023037931.db2.gz RLRCXAQVYNNRKE-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc1OCC ZINC000426765440 1023042142 /nfs/dbraw/zinc/04/21/42/1023042142.db2.gz OCODZNRLKCOFCY-OAHLLOKOSA-N -1 1 347.411 3.691 20 0 EHADMM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000426786094 1023043482 /nfs/dbraw/zinc/04/34/82/1023043482.db2.gz SORLMUKTPRECSS-KRWDZBQOSA-N -1 1 333.815 3.881 20 0 EHADMM Cc1cc([C@H](NCc2cc(F)c(F)c(F)c2)C(=O)[O-])ccc1Cl ZINC000426807627 1023046115 /nfs/dbraw/zinc/04/61/15/1023046115.db2.gz IHQFQLPRNCFCTA-HNNXBMFYSA-N -1 1 343.732 3.981 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccsc2Cl)c1 ZINC000426789754 1023049467 /nfs/dbraw/zinc/04/94/67/1023049467.db2.gz XNAGACYRPQHLGL-ZDUSSCGKSA-N -1 1 325.817 3.716 20 0 EHADMM CCCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc1OC ZINC000426793635 1023051819 /nfs/dbraw/zinc/05/18/19/1023051819.db2.gz OMKDEJCVTZXCQM-HNNXBMFYSA-N -1 1 347.411 3.691 20 0 EHADMM O=C([O-])[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccccc1F ZINC000426797868 1023053915 /nfs/dbraw/zinc/05/39/15/1023053915.db2.gz HEPNLXSIXOPNLD-AWEZNQCLSA-N -1 1 343.276 3.640 20 0 EHADMM COc1ccc([C@@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc1F ZINC000426796942 1023054593 /nfs/dbraw/zinc/05/45/93/1023054593.db2.gz CQZQSDJUCWQNAF-OAHLLOKOSA-N -1 1 341.741 3.542 20 0 EHADMM O=C([O-])C[C@H](NCc1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000426814671 1023064001 /nfs/dbraw/zinc/06/40/01/1023064001.db2.gz AEVWPZVXRAKQQA-HNNXBMFYSA-N -1 1 325.742 3.924 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1 ZINC000509580673 1023078814 /nfs/dbraw/zinc/07/88/14/1023078814.db2.gz ZEESLXXUEIJKFE-UHFFFAOYSA-N -1 1 348.449 3.886 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000427069252 1023197979 /nfs/dbraw/zinc/19/79/79/1023197979.db2.gz ITVYFMVCWDJRLB-UHFFFAOYSA-N -1 1 328.387 3.901 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427104360 1023217435 /nfs/dbraw/zinc/21/74/35/1023217435.db2.gz NPEUQKFKGYRYDW-UHFFFAOYSA-N -1 1 348.449 3.552 20 0 EHADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3C)cc2s1 ZINC000427130560 1023237746 /nfs/dbraw/zinc/23/77/46/1023237746.db2.gz JPQUVTOLTZJDCJ-UHFFFAOYSA-N -1 1 336.413 3.853 20 0 EHADMM CC[C@H](C)c1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)on1 ZINC000439073170 1023248360 /nfs/dbraw/zinc/24/83/60/1023248360.db2.gz SWLCZUCBCZZORH-JTQLQIEISA-N -1 1 326.356 3.536 20 0 EHADMM CC(C)n1nccc1[C@@H]1OCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000343295667 1023289435 /nfs/dbraw/zinc/28/94/35/1023289435.db2.gz HZRMFLQBFIAGFD-BLLLJJGKSA-N -1 1 349.818 3.539 20 0 EHADMM COc1ccccc1[C@@H](NCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000426776225 1023374135 /nfs/dbraw/zinc/37/41/35/1023374135.db2.gz XEUWYVKDUNBKOB-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM O=C(NCCCc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000132808743 1023448789 /nfs/dbraw/zinc/44/87/89/1023448789.db2.gz PFJWVJKGYVVUIA-UHFFFAOYSA-N -1 1 334.213 3.517 20 0 EHADMM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000535734751 1023599253 /nfs/dbraw/zinc/59/92/53/1023599253.db2.gz FXVNKQIOJQAJPY-UHFFFAOYSA-N -1 1 341.782 3.826 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c1Cl ZINC000657157768 1023801852 /nfs/dbraw/zinc/80/18/52/1023801852.db2.gz VEOKBYYMGPLYHF-LLVKDONJSA-N -1 1 344.210 3.625 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])c2ccccc21 ZINC000398600475 1024057952 /nfs/dbraw/zinc/05/79/52/1024057952.db2.gz ZQNQYNFTKXWMIF-SNVBAGLBSA-N -1 1 332.197 3.919 20 0 EHADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000348532485 1024094634 /nfs/dbraw/zinc/09/46/34/1024094634.db2.gz PNAAOQBRZJRMLY-IBGZPJMESA-N -1 1 331.362 3.864 20 0 EHADMM O=C([N-]c1c(F)cc(F)cc1F)c1cnc(-c2ccccn2)s1 ZINC000443915370 1024117907 /nfs/dbraw/zinc/11/79/07/1024117907.db2.gz BKGANTPWEMJJDM-UHFFFAOYSA-N -1 1 335.310 3.875 20 0 EHADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000033613447 1024125199 /nfs/dbraw/zinc/12/51/99/1024125199.db2.gz ZNHGVCGOXGKCHI-UHFFFAOYSA-N -1 1 340.404 3.599 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCc2cc(OC(F)F)ccc21 ZINC000094039385 1024164361 /nfs/dbraw/zinc/16/43/61/1024164361.db2.gz DERNREYKAZVWMN-UHFFFAOYSA-N -1 1 337.297 3.726 20 0 EHADMM O=C(Nc1cccc(OCc2cscn2)c1)c1cc(F)ccc1[O-] ZINC000094084160 1024201940 /nfs/dbraw/zinc/20/19/40/1024201940.db2.gz KUQNCVROSBUYPR-UHFFFAOYSA-N -1 1 344.367 3.819 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)n1 ZINC000510013713 1024384229 /nfs/dbraw/zinc/38/42/29/1024384229.db2.gz KLNCHTPAQFRDME-AWEZNQCLSA-N -1 1 349.818 3.618 20 0 EHADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520673250 1024395383 /nfs/dbraw/zinc/39/53/83/1024395383.db2.gz AZZKJBLXUKRBCD-UHFFFAOYSA-N -1 1 346.235 3.941 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)c(F)c1 ZINC000425181598 1024405170 /nfs/dbraw/zinc/40/51/70/1024405170.db2.gz YBJAVJFZZNPUGS-VIFPVBQESA-N -1 1 345.333 3.673 20 0 EHADMM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000097010853 1024473368 /nfs/dbraw/zinc/47/33/68/1024473368.db2.gz WDYOIRDPXWFJJX-AWEZNQCLSA-N -1 1 338.407 3.659 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(F)c1 ZINC000052025498 1024486039 /nfs/dbraw/zinc/48/60/39/1024486039.db2.gz PRNCBIFUHGZXRA-UHFFFAOYSA-N -1 1 345.342 3.692 20 0 EHADMM CCn1nc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c2ccccc21 ZINC000277303428 1024525852 /nfs/dbraw/zinc/52/58/52/1024525852.db2.gz MYYOXRKHJGOHRR-LIRRHRJNSA-N -1 1 337.423 3.608 20 0 EHADMM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425329490 1024766490 /nfs/dbraw/zinc/76/64/90/1024766490.db2.gz ZYJHEEXFPMYHSP-MRXNPFEDSA-N -1 1 349.475 3.724 20 0 EHADMM O=S(=O)([N-]Cc1cc2ccccc2s1)c1cc(F)ccc1F ZINC000514926857 1024895142 /nfs/dbraw/zinc/89/51/42/1024895142.db2.gz LNOHTEDLUSFUGI-UHFFFAOYSA-N -1 1 339.388 3.658 20 0 EHADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(Br)c([O-])c1 ZINC000505692208 1024906116 /nfs/dbraw/zinc/90/61/16/1024906116.db2.gz QOYSLPKHFMKMAA-VIFPVBQESA-N -1 1 348.187 3.710 20 0 EHADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435442667 1024927614 /nfs/dbraw/zinc/92/76/14/1024927614.db2.gz MBNXQCFTEAHHJX-APPZFPTMSA-N -1 1 326.220 3.599 20 0 EHADMM Cc1cccc(CNC(=O)c2ccc([O-])cc2F)c1Br ZINC000191729814 1024953460 /nfs/dbraw/zinc/95/34/60/1024953460.db2.gz CEMSSQYHARFXKL-UHFFFAOYSA-N -1 1 338.176 3.532 20 0 EHADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cc(F)c(F)cc1F ZINC000105592112 1024971011 /nfs/dbraw/zinc/97/10/11/1024971011.db2.gz GYLXZLQQRFQMHR-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1F ZINC000071977967 1025097194 /nfs/dbraw/zinc/09/71/94/1025097194.db2.gz BLINFRXCDDTZSK-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM CCc1onc(C)c1[N-]C(=O)c1sc(N2CCCC2)nc1Cl ZINC000760082236 1025257487 /nfs/dbraw/zinc/25/74/87/1025257487.db2.gz JVCUQJVGFPJYKD-UHFFFAOYSA-N -1 1 340.836 3.508 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(C)cc(C)c2)c1OC ZINC000277488614 1025362425 /nfs/dbraw/zinc/36/24/25/1025362425.db2.gz WXPVTGSVVHFLMT-KRWDZBQOSA-N -1 1 343.423 3.626 20 0 EHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000436152876 1025421184 /nfs/dbraw/zinc/42/11/84/1025421184.db2.gz NPGKLMZESHSWQB-UHFFFAOYSA-N -1 1 340.326 3.694 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000436177994 1025449359 /nfs/dbraw/zinc/44/93/59/1025449359.db2.gz LOZYMVDKVCMTGQ-UHFFFAOYSA-N -1 1 337.466 3.998 20 0 EHADMM CCc1cnccc1[C@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442803404 1025499139 /nfs/dbraw/zinc/49/91/39/1025499139.db2.gz TWSSMCIQVCXLAW-JTQLQIEISA-N -1 1 334.803 3.503 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1OC ZINC000442840134 1025526791 /nfs/dbraw/zinc/52/67/91/1025526791.db2.gz WEQMVZCSOQYOSW-UHFFFAOYSA-N -1 1 347.392 3.559 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)cc1 ZINC000451086673 1025528537 /nfs/dbraw/zinc/52/85/37/1025528537.db2.gz NPNOOTNDYGQKBA-UHFFFAOYSA-N -1 1 341.379 3.746 20 0 EHADMM COCc1cccc(CN(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000563277254 1025543327 /nfs/dbraw/zinc/54/33/27/1025543327.db2.gz NLLDBHMDXBGCMQ-UHFFFAOYSA-N -1 1 349.377 3.588 20 0 EHADMM O=S(=O)([N-]C1CCSCC1)c1sc2ccccc2c1Cl ZINC000451144839 1025595406 /nfs/dbraw/zinc/59/54/06/1025595406.db2.gz HXYFJAIUVLZMFM-UHFFFAOYSA-N -1 1 347.914 3.729 20 0 EHADMM COc1cc(C(=O)N2CCc3ccccc3[C@H]2C)cc(Cl)c1[O-] ZINC000442968326 1025628806 /nfs/dbraw/zinc/62/88/06/1025628806.db2.gz PVJSTDPULVVWHU-LLVKDONJSA-N -1 1 331.799 3.814 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000436478337 1025754784 /nfs/dbraw/zinc/75/47/84/1025754784.db2.gz MCBPUAKQJHUHFT-UHFFFAOYSA-N -1 1 345.342 3.774 20 0 EHADMM CCCc1noc2nc(CC)cc(C(=O)Nc3ccc(F)cc3[O-])c12 ZINC000436490704 1025791801 /nfs/dbraw/zinc/79/18/01/1025791801.db2.gz YMNXOTATYAPWRY-UHFFFAOYSA-N -1 1 343.358 3.835 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(C)c2Cl)c1 ZINC000436501516 1025818057 /nfs/dbraw/zinc/81/80/57/1025818057.db2.gz ABWMLJKDWLLCOX-UHFFFAOYSA-N -1 1 333.771 3.701 20 0 EHADMM CCOc1cc(-c2nc(-c3ncccc3C)no2)cc(Cl)c1[O-] ZINC000443218220 1025821307 /nfs/dbraw/zinc/82/13/07/1025821307.db2.gz SKTJQVBFVDHUFO-UHFFFAOYSA-N -1 1 331.759 3.865 20 0 EHADMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc(F)ccc1[O-] ZINC000436540665 1025869924 /nfs/dbraw/zinc/86/99/24/1025869924.db2.gz QJLKDCCCOFWPEX-SNVBAGLBSA-N -1 1 330.384 3.502 20 0 EHADMM COc1cccc(C2=CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)c1 ZINC000436541805 1025872859 /nfs/dbraw/zinc/87/28/59/1025872859.db2.gz YKZHSOIVEWINIZ-UHFFFAOYSA-N -1 1 343.810 3.984 20 0 EHADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1nc(C2CCCCC2)no1 ZINC000436578842 1025919111 /nfs/dbraw/zinc/91/91/11/1025919111.db2.gz XYTSDWFPEQIPLB-JTQLQIEISA-N -1 1 349.818 3.967 20 0 EHADMM Cc1cnc(C(C)(C)NC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436588260 1025928629 /nfs/dbraw/zinc/92/86/29/1025928629.db2.gz ZTFLWVWKKYDQOO-UHFFFAOYSA-N -1 1 326.421 3.975 20 0 EHADMM CC[C@@H](C)n1ncc(NC(=O)c2ccc(OC)cc2[O-])c1C1CC1 ZINC000436606280 1025938505 /nfs/dbraw/zinc/93/85/05/1025938505.db2.gz QIPKMHAOCHAIRS-LLVKDONJSA-N -1 1 329.400 3.698 20 0 EHADMM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc2ccccc2c1[O-] ZINC000436633853 1025962486 /nfs/dbraw/zinc/96/24/86/1025962486.db2.gz IVBSWSBFGSMOST-FQEVSTJZSA-N -1 1 347.414 3.931 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCOc2cccc(F)c2C1 ZINC000436653666 1025980110 /nfs/dbraw/zinc/98/01/10/1025980110.db2.gz CAFDMVJDKVULIK-UHFFFAOYSA-N -1 1 337.350 3.719 20 0 EHADMM CC[C@H](Cc1ccccc1)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000522135470 1026011127 /nfs/dbraw/zinc/01/11/27/1026011127.db2.gz CBDWAYLRWQWKBD-CQSZACIVSA-N -1 1 325.437 3.768 20 0 EHADMM CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)c2ccc([O-])cc2)cc1F ZINC000436709386 1026051179 /nfs/dbraw/zinc/05/11/79/1026051179.db2.gz VWHFQTGRKONLQB-UHFFFAOYSA-N -1 1 349.333 3.669 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc2n[nH]cc2c1 ZINC000436695194 1026056575 /nfs/dbraw/zinc/05/65/75/1026056575.db2.gz CHONXEORUBORDZ-LBPRGKRZSA-N -1 1 331.375 3.913 20 0 EHADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc([O-])cc1F)[C@@H]2C ZINC000436714963 1026082338 /nfs/dbraw/zinc/08/23/38/1026082338.db2.gz NRLKODAQOKYVQK-VXGBXAGGSA-N -1 1 329.371 3.688 20 0 EHADMM O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000191973485 1026091754 /nfs/dbraw/zinc/09/17/54/1026091754.db2.gz WNGSLCFUHMUGIV-GUYCJALGSA-N -1 1 331.799 3.553 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000436735945 1026101469 /nfs/dbraw/zinc/10/14/69/1026101469.db2.gz FZWUYFNLMVCZHL-QKCSRTOESA-N -1 1 338.245 3.805 20 0 EHADMM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436758478 1026127497 /nfs/dbraw/zinc/12/74/97/1026127497.db2.gz YIMRBKKUDHEMDP-QGZVFWFLSA-N -1 1 329.371 3.907 20 0 EHADMM COc1ccc(C)cc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436761828 1026132435 /nfs/dbraw/zinc/13/24/35/1026132435.db2.gz AABPFDPPFVPPHU-UHFFFAOYSA-N -1 1 325.286 3.980 20 0 EHADMM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000436751655 1026139986 /nfs/dbraw/zinc/13/99/86/1026139986.db2.gz UJKIZTXPRKFWMD-CXAGYDPISA-N -1 1 331.799 3.553 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H]1c1ccncc1 ZINC000684870839 1026256152 /nfs/dbraw/zinc/25/61/52/1026256152.db2.gz MELAMGYOILIWCK-AWEZNQCLSA-N -1 1 336.313 3.783 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000684871928 1026263104 /nfs/dbraw/zinc/26/31/04/1026263104.db2.gz NPBOLHZSULTBQG-GFCCVEGCSA-N -1 1 339.317 3.502 20 0 EHADMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000530771208 1026281127 /nfs/dbraw/zinc/28/11/27/1026281127.db2.gz OYDBSZLKNKNDKP-UHFFFAOYSA-N -1 1 341.432 3.751 20 0 EHADMM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000530771835 1026282987 /nfs/dbraw/zinc/28/29/87/1026282987.db2.gz MZVWCGLHKMZRPG-CQSZACIVSA-N -1 1 329.421 3.823 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1cc(Cl)ccc1Cl ZINC000451824127 1026308382 /nfs/dbraw/zinc/30/83/82/1026308382.db2.gz OKKYURLLJJCNDE-MRVPVSSYSA-N -1 1 344.210 3.707 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000531527051 1027007421 /nfs/dbraw/zinc/00/74/21/1027007421.db2.gz 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1031547953 /nfs/dbraw/zinc/54/79/53/1031547953.db2.gz XFIYBKFJYSYXQU-UHFFFAOYSA-N -1 1 329.780 3.679 20 0 EHADMM Cc1cccc([C@H](CC(=O)[O-])NCc2cnc([C@H]3CCCO3)s2)c1 ZINC000904046263 1031667614 /nfs/dbraw/zinc/66/76/14/1031667614.db2.gz YKGXTOVAWGHOIA-JKSUJKDBSA-N -1 1 346.452 3.609 20 0 EHADMM CC[C@@H](NCC=Cc1cc(C)c(C)cc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904062205 1031686949 /nfs/dbraw/zinc/68/69/49/1031686949.db2.gz DVFRFSFEQHOMQG-FYCOFBDGSA-N -1 1 327.428 3.787 20 0 EHADMM CC[C@@H](NCC=Cc1c(C)cc(C)cc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904062766 1031689658 /nfs/dbraw/zinc/68/96/58/1031689658.db2.gz RIWQZTFAVFPFPQ-MWWKQMNYSA-N -1 1 327.428 3.787 20 0 EHADMM CCO[C@H](c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1)C(C)C ZINC000904121266 1031756995 /nfs/dbraw/zinc/75/69/95/1031756995.db2.gz LEATYCKJFOZDMV-ZDUSSCGKSA-N -1 1 326.780 3.838 20 0 EHADMM CC(C)Oc1cccc(Cc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445463504 1032028907 /nfs/dbraw/zinc/02/89/07/1032028907.db2.gz PEFKQGRFOJNEPD-UHFFFAOYSA-N -1 1 328.343 3.959 20 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1040827494 /nfs/dbraw/zinc/82/74/94/1040827494.db2.gz MPFSQCUWXUOODU-UHFFFAOYSA-N -1 1 349.774 3.570 20 0 EHADMM CCN(CC)[C@H](CNc1ncccc1C(=O)[O-])c1ccccc1Cl ZINC000614259358 1040856026 /nfs/dbraw/zinc/85/60/26/1040856026.db2.gz IBVOUWVBKBEMQL-MRXNPFEDSA-N -1 1 347.846 3.928 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H](C)C(C)C)c1 ZINC000031716579 1041131767 /nfs/dbraw/zinc/13/17/67/1041131767.db2.gz CNYBKMDOJCCKDZ-CQSZACIVSA-N -1 1 346.500 3.809 20 0 EHADMM Cc1sc(NC(=O)c2cncc([O-])c2)nc1-c1ccc(F)cc1 ZINC000109941896 1041506676 /nfs/dbraw/zinc/50/66/76/1041506676.db2.gz JHJQRUAKQXRSCO-UHFFFAOYSA-N -1 1 329.356 3.611 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2cc(-c3ccccc3F)on2)s1 ZINC000047528096 1041702171 /nfs/dbraw/zinc/70/21/71/1041702171.db2.gz LDAZCNUMPRZPHW-UHFFFAOYSA-N -1 1 346.387 3.927 20 0 EHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000432206242 1041799274 /nfs/dbraw/zinc/79/92/74/1041799274.db2.gz PYDMXQVYDXRPJI-UHFFFAOYSA-N -1 1 335.400 3.774 20 0 EHADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])CC2(CCCC2)O1 ZINC000613839208 1042347455 /nfs/dbraw/zinc/34/74/55/1042347455.db2.gz TYXUVWYCIYFYAG-UHFFFAOYSA-N -1 1 340.423 3.504 20 0 EHADMM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cncc([O-])c1 ZINC000111568971 1042411134 /nfs/dbraw/zinc/41/11/34/1042411134.db2.gz TWWISAFMWULLKR-UHFFFAOYSA-N -1 1 347.374 3.600 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(-c2ccccc2Cl)on1 ZINC000652463396 1042489351 /nfs/dbraw/zinc/48/93/51/1042489351.db2.gz DCBIIPHTEFIESY-ZDUSSCGKSA-N -1 1 334.803 3.824 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2ncsc2Br)[n-]1 ZINC000663246337 1042591542 /nfs/dbraw/zinc/59/15/42/1042591542.db2.gz XKDGVOJTYJXJNY-UHFFFAOYSA-N -1 1 344.259 3.571 20 0 EHADMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000186645857 1042680222 /nfs/dbraw/zinc/68/02/22/1042680222.db2.gz WGXSUKNPTVEYIB-UHFFFAOYSA-N -1 1 346.339 3.688 20 0 EHADMM O=C(CSc1nnc(-c2ccccc2F)o1)c1ccc([O-])cc1 ZINC000007357110 1042892068 /nfs/dbraw/zinc/89/20/68/1042892068.db2.gz 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/nfs/dbraw/zinc/76/26/92/1126762692.db2.gz CGPHMODXRXOZBF-UHFFFAOYSA-N -1 1 348.443 3.661 20 0 EHADMM CCOc1cc(C(=O)NCCOc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000192989078 1126949791 /nfs/dbraw/zinc/94/97/91/1126949791.db2.gz ZTLBYVDHDRIGOR-UHFFFAOYSA-N -1 1 349.814 3.562 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)ccc1F ZINC000179644398 1127077823 /nfs/dbraw/zinc/07/78/23/1127077823.db2.gz BIRJIOXVTRKUJG-UHFFFAOYSA-N -1 1 349.214 3.945 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3c[nH]c4ccccc43)no2)c1 ZINC000350818661 1127105794 /nfs/dbraw/zinc/10/57/94/1127105794.db2.gz WYIXSWPSNODQIX-UHFFFAOYSA-N -1 1 334.335 3.549 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c(C)c1F ZINC000181126070 1127267478 /nfs/dbraw/zinc/26/74/78/1127267478.db2.gz UVKDNYIAPKPOOP-UHFFFAOYSA-N -1 1 348.399 3.733 20 0 EHADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(C)c2F)on1 ZINC000181326864 1127273853 /nfs/dbraw/zinc/27/38/53/1127273853.db2.gz ICNBAFPPDPIDKA-UHFFFAOYSA-N -1 1 340.420 3.504 20 0 EHADMM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c(F)c1 ZINC000195080274 1127472874 /nfs/dbraw/zinc/47/28/74/1127472874.db2.gz CHVKILSVKJKKSL-SNVBAGLBSA-N -1 1 347.415 3.626 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000764978600 1127559518 /nfs/dbraw/zinc/55/95/18/1127559518.db2.gz TVVNQOXJEDLKFQ-CQSZACIVSA-N -1 1 341.455 3.710 20 0 EHADMM O=C(NCCCn1cnc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000012490825 1127642754 /nfs/dbraw/zinc/64/27/54/1127642754.db2.gz LEEFELXSNLSOAQ-UHFFFAOYSA-N -1 1 345.402 3.715 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000024579331 1127708054 /nfs/dbraw/zinc/70/80/54/1127708054.db2.gz KPZIDBYQHBWXFR-UHFFFAOYSA-N -1 1 348.424 3.897 20 0 EHADMM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@@H]2CCC[C@H]2C)[nH]1 ZINC001127966697 1127757582 /nfs/dbraw/zinc/75/75/82/1127757582.db2.gz PBAUFRUZXGJIBD-OLZOCXBDSA-N -1 1 335.448 3.694 20 0 EHADMM C[C@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000047034586 1127999074 /nfs/dbraw/zinc/99/90/74/1127999074.db2.gz GELDQORZIZICPP-WMLDXEAASA-N -1 1 344.455 3.575 20 0 EHADMM CC(C)CCN(C(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000155723683 1128457654 /nfs/dbraw/zinc/45/76/54/1128457654.db2.gz OTKKYDFWGBKGCO-UHFFFAOYSA-N -1 1 326.234 3.805 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCc2nc3ccccc3o2)[n-]1 ZINC000109714155 1128747675 /nfs/dbraw/zinc/74/76/75/1128747675.db2.gz FTWHHQWXMSYMMW-UHFFFAOYSA-N -1 1 327.287 3.635 20 0 EHADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc(C2CC2)on1 ZINC000075505534 1128864112 /nfs/dbraw/zinc/86/41/12/1128864112.db2.gz GLRJQYMXNOKMJD-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)c1ncc[nH]1 ZINC001648805722 1120043692 /nfs/dbraw/zinc/04/36/92/1120043692.db2.gz BJCPGOXDRRHNRH-ZETCQYMHSA-N -1 1 334.153 3.686 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000169875001 1120140780 /nfs/dbraw/zinc/14/07/80/1120140780.db2.gz YBDBCCUKXKRZLN-UHFFFAOYSA-N -1 1 325.817 3.930 20 0 EHADMM O=C(NC[C@H]1C[C@H]1C1CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001648917712 1120178659 /nfs/dbraw/zinc/17/86/59/1120178659.db2.gz KHGTYNWODOTINF-OLZOCXBDSA-N -1 1 327.346 3.967 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc2o1 ZINC000008110033 1128903199 /nfs/dbraw/zinc/90/31/99/1128903199.db2.gz REUHGYUUSRJWMZ-UHFFFAOYSA-N -1 1 340.763 3.730 20 0 EHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000185932399 1120435948 /nfs/dbraw/zinc/43/59/48/1120435948.db2.gz YXDKETDVEOQVCE-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CCC(CC(C)C)CC3)cnc2n1 ZINC000761603485 1120445871 /nfs/dbraw/zinc/44/58/71/1120445871.db2.gz UGKSWZDFTONGSM-UHFFFAOYSA-N -1 1 327.428 3.542 20 0 EHADMM Cc1ccc2c(=O)c(C(=O)N3CCC(CC(C)C)CC3)c[n-]c2n1 ZINC000761603485 1120445873 /nfs/dbraw/zinc/44/58/73/1120445873.db2.gz UGKSWZDFTONGSM-UHFFFAOYSA-N -1 1 327.428 3.542 20 0 EHADMM CCN(C(=O)c1cc(Br)ccc1[O-])C1CCCCC1 ZINC000220025722 1120463422 /nfs/dbraw/zinc/46/34/22/1120463422.db2.gz VQDRPIMXIDNSCK-UHFFFAOYSA-N -1 1 326.234 3.950 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)c1 ZINC000190398563 1120636133 /nfs/dbraw/zinc/63/61/33/1120636133.db2.gz BKULRWINEAOXRU-UHFFFAOYSA-N -1 1 341.436 3.544 20 0 EHADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000194035351 1120818004 /nfs/dbraw/zinc/81/80/04/1120818004.db2.gz PFSAJKXVRUXIBU-UHFFFAOYSA-N -1 1 341.379 3.691 20 0 EHADMM CC[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000227353765 1120877534 /nfs/dbraw/zinc/87/75/34/1120877534.db2.gz OBYIMXWHSROLPD-LLVKDONJSA-N -1 1 326.234 3.807 20 0 EHADMM C[C@H]1CCC[C@H](CNC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000231328762 1121028398 /nfs/dbraw/zinc/02/83/98/1121028398.db2.gz PZHWEKIWPQMHOX-QWRGUYRKSA-N -1 1 326.234 3.711 20 0 EHADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1cc2ccccc2cc1[O-] ZINC000762681394 1121410862 /nfs/dbraw/zinc/41/08/62/1121410862.db2.gz TUFJOKWETBOVPI-HYVNUMGLSA-N -1 1 345.489 3.655 20 0 EHADMM CNC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1Cl ZINC001214489695 1128990494 /nfs/dbraw/zinc/99/04/94/1128990494.db2.gz HRBXIVLLXPTEMA-UHFFFAOYSA-N -1 1 329.158 3.941 20 0 EHADMM CC[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000495993414 1121602509 /nfs/dbraw/zinc/60/25/09/1121602509.db2.gz XNLKFOOQAVNQFN-GFCCVEGCSA-N -1 1 337.351 3.557 20 0 EHADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)o1 ZINC000026540033 1121663590 /nfs/dbraw/zinc/66/35/90/1121663590.db2.gz OFIVUUFXRRGJFN-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911009 1122297847 /nfs/dbraw/zinc/29/78/47/1122297847.db2.gz UERHBDAFTVRIKH-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM Cc1nccn1-c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000917187974 1122547219 /nfs/dbraw/zinc/54/72/19/1122547219.db2.gz SHXLOUIZJYTJMC-UHFFFAOYSA-N -1 1 344.374 3.687 20 0 EHADMM CC[C@H](C)[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(=O)OC ZINC000917467796 1122615446 /nfs/dbraw/zinc/61/54/46/1122615446.db2.gz GXBFNCQQNJVZQL-XHDPSFHLSA-N -1 1 346.452 3.837 20 0 EHADMM COc1ccc2c(c1)CCC[C@H]2c1noc(-c2ccc(N)cc2[O-])n1 ZINC000843194466 1129067997 /nfs/dbraw/zinc/06/79/97/1129067997.db2.gz HVLUEDWPRZGANN-OAHLLOKOSA-N -1 1 337.379 3.501 20 0 EHADMM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000917900016 1122704683 /nfs/dbraw/zinc/70/46/83/1122704683.db2.gz BZJPGBDASLISFI-JTQLQIEISA-N -1 1 345.798 3.528 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)c1 ZINC000556269070 1122907867 /nfs/dbraw/zinc/90/78/67/1122907867.db2.gz YAQWOOHXBPDKCK-UHFFFAOYSA-N -1 1 329.421 3.740 20 0 EHADMM Cc1cccc(-c2noc(-c3ncccc3[O-])n2)c1Br ZINC001212480722 1129086467 /nfs/dbraw/zinc/08/64/67/1129086467.db2.gz FLYPMPKOCBBBQA-UHFFFAOYSA-N -1 1 332.157 3.575 20 0 EHADMM C/C=C\COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000919668167 1123109780 /nfs/dbraw/zinc/10/97/80/1123109780.db2.gz KHFCIPJVGKSVIA-ARJAWSKDSA-N -1 1 345.420 3.529 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000132720902 1123292723 /nfs/dbraw/zinc/29/27/23/1123292723.db2.gz PIPHKDODQAQQBO-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1 ZINC000132743436 1123295286 /nfs/dbraw/zinc/29/52/86/1123295286.db2.gz JDJRGRQEGOJIGN-UHFFFAOYSA-N -1 1 344.392 3.541 20 0 EHADMM COc1cccc(Cl)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000134064368 1123487640 /nfs/dbraw/zinc/48/76/40/1123487640.db2.gz RHJFSVCZNGSHFD-UHFFFAOYSA-N -1 1 326.179 3.889 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2[nH]nc(-c3ccc(C)o3)c2C)cc1 ZINC000135407200 1123609621 /nfs/dbraw/zinc/60/96/21/1123609621.db2.gz WVOHAFYZTWWVPC-UHFFFAOYSA-N -1 1 345.424 3.650 20 0 EHADMM O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc2ccccc2c1[O-] ZINC000078439764 1123628968 /nfs/dbraw/zinc/62/89/68/1123628968.db2.gz DSKDVORQUSGQFX-UHFFFAOYSA-N -1 1 348.358 3.754 20 0 EHADMM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000080029183 1123735529 /nfs/dbraw/zinc/73/55/29/1123735529.db2.gz NRYVAPLBLNSSMV-UHFFFAOYSA-N -1 1 345.370 3.589 20 0 EHADMM CN(Cc1cc(Br)cs1)C(=O)c1cc(F)ccc1[O-] ZINC000081942336 1123932635 /nfs/dbraw/zinc/93/26/35/1123932635.db2.gz BQKGWFSYABYXHA-UHFFFAOYSA-N -1 1 344.205 3.628 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(CN(C)C)c1 ZINC000084919816 1124604406 /nfs/dbraw/zinc/60/44/06/1124604406.db2.gz WARHOKPNLROAHG-UHFFFAOYSA-N -1 1 344.436 3.604 20 0 EHADMM O=C([N-]c1nc(C2CC2)no1)c1cnc(-c2ccccc2Cl)s1 ZINC000734876431 1131286223 /nfs/dbraw/zinc/28/62/23/1131286223.db2.gz NDFAECTWIFAPKU-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM CSCc1c2ccccc2oc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000734880784 1131293553 /nfs/dbraw/zinc/29/35/53/1131293553.db2.gz SDJIIJGXDNAEGG-UHFFFAOYSA-N -1 1 329.381 3.809 20 0 EHADMM CCCCCC[C@H](CC)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000735055679 1131304980 /nfs/dbraw/zinc/30/49/80/1131304980.db2.gz LNBIJCGURUMNDZ-HNNXBMFYSA-N -1 1 346.475 3.665 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000091019109 1124949763 /nfs/dbraw/zinc/94/97/63/1124949763.db2.gz AVWMFLCRJJXSON-UHFFFAOYSA-N -1 1 347.436 3.867 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000182861304 1125381454 /nfs/dbraw/zinc/38/14/54/1125381454.db2.gz OEYGXHAMBBMIQD-UHFFFAOYSA-N -1 1 327.123 3.860 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1O ZINC000673481170 1129455481 /nfs/dbraw/zinc/45/54/81/1129455481.db2.gz XJJIBXGSBNQXJX-UHFFFAOYSA-N -1 1 327.352 3.747 20 0 EHADMM CCOc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1OC ZINC001212540469 1130335771 /nfs/dbraw/zinc/33/57/71/1130335771.db2.gz DFRJJGXTXZRTOL-UHFFFAOYSA-N -1 1 327.336 3.650 20 0 EHADMM CCOc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1OC ZINC001212545291 1130345857 /nfs/dbraw/zinc/34/58/57/1130345857.db2.gz AEACJTDDWOSBNM-UHFFFAOYSA-N -1 1 325.368 3.729 20 0 EHADMM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1cc(Cl)sc1Cl ZINC000675637272 1130442141 /nfs/dbraw/zinc/44/21/41/1130442141.db2.gz WCZSPKJSDRBYNJ-YFKPBYRVSA-N -1 1 336.212 3.521 20 0 EHADMM Cc1nc(-c2ccc(NCc3ccc4c(c3)COC4)nc2)[n-]c(=O)c1C ZINC000676313721 1130563774 /nfs/dbraw/zinc/56/37/74/1130563774.db2.gz YLMGPZHPTMUAQW-UHFFFAOYSA-N -1 1 348.406 3.503 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC(C)C)cc1 ZINC000727954842 1130613129 /nfs/dbraw/zinc/61/31/29/1130613129.db2.gz MLNVRIHDXAZMKM-UHFFFAOYSA-N -1 1 347.436 3.609 20 0 EHADMM O=C(NCc1ccc(-c2ccccc2)o1)c1nnc2ccccc2c1O ZINC000732274005 1130904104 /nfs/dbraw/zinc/90/41/04/1130904104.db2.gz NMYHPRHTYFXJFC-UHFFFAOYSA-N -1 1 345.358 3.525 20 0 EHADMM CC(C)COC(=O)Nc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000143961234 1131157574 /nfs/dbraw/zinc/15/75/74/1131157574.db2.gz ZQYHYARWMBMXIV-UHFFFAOYSA-N -1 1 328.368 3.849 20 0 EHADMM Cc1cccc([C@H](C)C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000740351172 1131528728 /nfs/dbraw/zinc/52/87/28/1131528728.db2.gz MACZJBYBVUZNRO-ZDUSSCGKSA-N -1 1 338.359 3.654 20 0 EHADMM COc1ccc([C@H](C)CCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000743628497 1131956451 /nfs/dbraw/zinc/95/64/51/1131956451.db2.gz ROLYTMJEMKXBNG-GFCCVEGCSA-N -1 1 333.815 3.978 20 0 EHADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)Oc1ccc(Cl)cc1 ZINC000743760003 1131973812 /nfs/dbraw/zinc/97/38/12/1131973812.db2.gz NIXDFMFMUFRGBW-JTQLQIEISA-N -1 1 340.206 3.896 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCSc2ccccc2)c1 ZINC000744462275 1132099178 /nfs/dbraw/zinc/09/91/78/1132099178.db2.gz IRIPSSGQQIDAAC-UHFFFAOYSA-N -1 1 344.432 3.863 20 0 EHADMM CCc1ccc(N(C(=S)[N-]C(=O)OC)c2ccccc2N)cc1 ZINC001173871275 1132160003 /nfs/dbraw/zinc/16/00/03/1132160003.db2.gz YPXGTKWIOOPSSX-UHFFFAOYSA-N -1 1 329.425 3.610 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C(C)c2ccc(F)cc2)c1 ZINC000744876435 1132162929 /nfs/dbraw/zinc/16/29/29/1132162929.db2.gz WCEDTQWNYQADHA-ACCUITESSA-N -1 1 342.366 3.923 20 0 EHADMM Cn1cnc2ccc(Nc3ccc(F)c(Br)c3[O-])cc21 ZINC001174350021 1132327030 /nfs/dbraw/zinc/32/70/30/1132327030.db2.gz OSKGMQLWCUWUHO-UHFFFAOYSA-N -1 1 336.164 3.924 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2C(F)(F)F)ccc1N ZINC001174486534 1132370448 /nfs/dbraw/zinc/37/04/48/1132370448.db2.gz SRPCRDGYAZFBHZ-UHFFFAOYSA-N -1 1 348.321 3.536 20 0 EHADMM CCOc1cc(C(=O)Nc2cnn(C(C)(C)C)c2)cc(Cl)c1[O-] ZINC000186715570 1132424008 /nfs/dbraw/zinc/42/40/08/1132424008.db2.gz SDQIPKQELAVRNQ-UHFFFAOYSA-N -1 1 337.807 3.648 20 0 EHADMM O=C(OCc1coc(-c2cccs2)n1)c1c([O-])cc(F)cc1F ZINC000749284006 1132483111 /nfs/dbraw/zinc/48/31/11/1132483111.db2.gz UAQBBHTYEJBZIT-UHFFFAOYSA-N -1 1 337.303 3.744 20 0 EHADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1coc(C2CCC2)n1 ZINC000194795397 1132491846 /nfs/dbraw/zinc/49/18/46/1132491846.db2.gz KSKVEYVTQSYFDX-VOTSOKGWSA-N -1 1 342.380 3.809 20 0 EHADMM CCOc1ccc(F)c(F)c1Nc1cc2ccc([O-])cc2oc1=O ZINC001175283022 1132612735 /nfs/dbraw/zinc/61/27/35/1132612735.db2.gz QQBVVSVLNZYLDE-UHFFFAOYSA-N -1 1 333.290 3.919 20 0 EHADMM c1cc2cccc([N-]c3nonc3-c3cn4ccncc4n3)c2s1 ZINC001175378208 1132654903 /nfs/dbraw/zinc/65/49/03/1132654903.db2.gz WDDKIVHRENMMMF-UHFFFAOYSA-N -1 1 334.364 3.738 20 0 EHADMM Cc1nnc(-c2cccc(Nc3cc4ccc([O-])cc4oc3=O)c2)o1 ZINC001175991160 1132809206 /nfs/dbraw/zinc/80/92/06/1132809206.db2.gz CNPGNLGCJKOINC-UHFFFAOYSA-N -1 1 335.319 3.601 20 0 EHADMM CSc1nc(Nc2ccc(Oc3ccccc3)nc2)cc(=O)[n-]1 ZINC001176373777 1132925524 /nfs/dbraw/zinc/92/55/24/1132925524.db2.gz BBSKVMFNAAJTBK-UHFFFAOYSA-N -1 1 326.381 3.835 20 0 EHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)c(Br)cn1 ZINC001176663774 1132978622 /nfs/dbraw/zinc/97/86/22/1132978622.db2.gz IBKATPREERHCLJ-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000767321710 1132984623 /nfs/dbraw/zinc/98/46/23/1132984623.db2.gz QJANDIVPHUULTO-UHFFFAOYSA-N -1 1 336.750 3.786 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(-c2ccc(F)cc2)on1 ZINC001176989117 1133018356 /nfs/dbraw/zinc/01/83/56/1133018356.db2.gz YNARRYGXDVZZFH-UHFFFAOYSA-N -1 1 346.745 3.770 20 0 EHADMM CC1(C)Cc2ccc(C(=O)NCc3ccc([O-])c(Cl)c3)cc2O1 ZINC001176994320 1133020268 /nfs/dbraw/zinc/02/02/68/1133020268.db2.gz RDLAQLTUFOACAW-UHFFFAOYSA-N -1 1 331.799 3.689 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cscc1Br ZINC001176993670 1133020312 /nfs/dbraw/zinc/02/03/12/1133020312.db2.gz IWZJVRUBJFKKHU-UHFFFAOYSA-N -1 1 346.633 3.800 20 0 EHADMM CC1(C)[C@H](c2ccc(Cl)cc2)CCN1C(=O)c1ncccc1[O-] ZINC001178530350 1133176313 /nfs/dbraw/zinc/17/63/13/1133176313.db2.gz LIXIOLPXMFMTHP-AWEZNQCLSA-N -1 1 330.815 3.849 20 0 EHADMM C[C@@H](CCCc1ccccc1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784713 1133198218 /nfs/dbraw/zinc/19/82/18/1133198218.db2.gz CQLSXFHCXDLDPW-AWEZNQCLSA-N -1 1 347.405 3.988 20 0 EHADMM Cc1c([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[nH]c1C1CC1 ZINC000768861790 1133199489 /nfs/dbraw/zinc/19/94/89/1133199489.db2.gz KAGAYMVVCHRWBI-FPLPWBNLSA-N -1 1 337.832 3.662 20 0 EHADMM CC1CCC(=CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000769291484 1133265458 /nfs/dbraw/zinc/26/54/58/1133265458.db2.gz HVYGLNKEOLFQMC-UHFFFAOYSA-N -1 1 341.451 3.950 20 0 EHADMM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1c([O-])cccc1Cl ZINC000769758580 1133338170 /nfs/dbraw/zinc/33/81/70/1133338170.db2.gz KLYJTSWKOXCVBA-LRDDRELGSA-N -1 1 331.799 3.648 20 0 EHADMM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1c([O-])cccc1Cl ZINC000770096840 1133386562 /nfs/dbraw/zinc/38/65/62/1133386562.db2.gz NAAJCBJYMLCXAB-CZUORRHYSA-N -1 1 345.826 3.943 20 0 EHADMM Cc1c(C(=O)[N-]N2CCc3ccccc3C2=O)oc2c1c(C)ccc2C ZINC000770552235 1133440975 /nfs/dbraw/zinc/44/09/75/1133440975.db2.gz TZYQWQKLALWWBT-UHFFFAOYSA-N -1 1 348.402 3.701 20 0 EHADMM O=C(CCc1c[nH]c2ncccc12)Nc1cccc(C(F)(F)F)c1[O-] ZINC001181035005 1133447958 /nfs/dbraw/zinc/44/79/58/1133447958.db2.gz MSGVZFJLRBOYNS-UHFFFAOYSA-N -1 1 349.312 3.859 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc(OC)c2F)cc(Cl)c1[O-] ZINC000771520931 1133570412 /nfs/dbraw/zinc/57/04/12/1133570412.db2.gz XGIQZCWWAZNCAJ-UHFFFAOYSA-N -1 1 339.750 3.844 20 0 EHADMM O=C(NOCc1ccc(C(F)(F)F)cc1)c1c(F)ccc([O-])c1F ZINC000774445103 1133679563 /nfs/dbraw/zinc/67/95/63/1133679563.db2.gz ZFIVJSKYZMLFGW-UHFFFAOYSA-N -1 1 347.239 3.551 20 0 EHADMM C[C@H]1CCCN(Cc2cccc([O-])c2Cl)[C@@H]1C(=O)OC(C)(C)C ZINC001182491072 1133694563 /nfs/dbraw/zinc/69/45/63/1133694563.db2.gz UROHENDFPAXOGC-LRDDRELGSA-N -1 1 339.863 3.988 20 0 EHADMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccc1OC ZINC000785517455 1133717582 /nfs/dbraw/zinc/71/75/82/1133717582.db2.gz UIZPDDJFVYJUAE-AWEZNQCLSA-N -1 1 349.814 3.944 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C12CCC(CO)(CC1)CC2 ZINC001182707287 1133722067 /nfs/dbraw/zinc/72/20/67/1133722067.db2.gz HXGRPIYTOQUGLH-UHFFFAOYSA-N -1 1 343.345 3.682 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2coc(C3CCCC3)n2)c1 ZINC000786661402 1133882833 /nfs/dbraw/zinc/88/28/33/1133882833.db2.gz KBVIPGQAZRVDRE-UHFFFAOYSA-N -1 1 343.379 3.640 20 0 EHADMM Cc1cc(F)c([N-]S(=O)(=O)c2cccnc2Cl)cc1Cl ZINC001184877697 1134001262 /nfs/dbraw/zinc/00/12/62/1134001262.db2.gz DWVZFPFSGSDVSF-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM C[C@@H]1C[C@H]1c1ncc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cn1 ZINC001185146766 1134036662 /nfs/dbraw/zinc/03/66/62/1134036662.db2.gz XEQPLLOOVHSXKM-PSASIEDQSA-N -1 1 337.301 3.577 20 0 EHADMM CCCc1nc(C)c(C(=O)[N-]c2c(C)onc2OC(F)F)s1 ZINC000788110076 1134085826 /nfs/dbraw/zinc/08/58/26/1134085826.db2.gz GPVZYGRIXICPSU-UHFFFAOYSA-N -1 1 331.344 3.554 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000788158626 1134090680 /nfs/dbraw/zinc/09/06/80/1134090680.db2.gz LYXRDUIJJSZCIK-UHFFFAOYSA-N -1 1 334.656 3.851 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])C12CCC(F)(CC1)CC2 ZINC001185520707 1134102535 /nfs/dbraw/zinc/10/25/35/1134102535.db2.gz RRZNXZYOZPMJDR-UHFFFAOYSA-N -1 1 343.196 3.551 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc1CC ZINC000788495246 1134132195 /nfs/dbraw/zinc/13/21/95/1134132195.db2.gz AXLAGNTZVHFFPX-UHFFFAOYSA-N -1 1 338.860 3.969 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2ccccn2)c1 ZINC001185829667 1134138448 /nfs/dbraw/zinc/13/84/48/1134138448.db2.gz WBGBFUSJMQLHTA-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM C[NH+](C)Cc1cccc(NS(=O)(=O)c2csc3ccccc32)c1 ZINC001186493756 1134221609 /nfs/dbraw/zinc/22/16/09/1134221609.db2.gz MRUKGEDFCXERMM-UHFFFAOYSA-N -1 1 346.477 3.764 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1cnoc1C)c1cccc2ccccc21 ZINC001187401200 1134331893 /nfs/dbraw/zinc/33/18/93/1134331893.db2.gz PKBZAPVESUFLJA-INIZCTEOSA-N -1 1 330.409 3.566 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc(-c2cccs2)n1 ZINC000789930462 1134345002 /nfs/dbraw/zinc/34/50/02/1134345002.db2.gz PMMHPYFRIQMNQG-UHFFFAOYSA-N -1 1 337.813 3.878 20 0 EHADMM CC(C)[C@H]1C[C@](NCc2cccnc2Cl)(C(=O)[O-])c2ccccc21 ZINC000789902314 1134347678 /nfs/dbraw/zinc/34/76/78/1134347678.db2.gz ADVGZLNIRJUZGL-DNVCBOLYSA-N -1 1 344.842 3.948 20 0 EHADMM O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(Cl)ccc1[O-] ZINC000790046813 1134359459 /nfs/dbraw/zinc/35/94/59/1134359459.db2.gz NZEGRLBIYFVVKK-UHFFFAOYSA-N -1 1 345.811 3.745 20 0 EHADMM CC(C)C1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC001188009650 1134411840 /nfs/dbraw/zinc/41/18/40/1134411840.db2.gz UGULBXJWSMMKGN-UHFFFAOYSA-N -1 1 335.391 3.597 20 0 EHADMM CC(C)[C@H](NC(=O)c1c([O-])cccc1Cl)[C@H](O)c1ccccc1 ZINC000790402483 1134416849 /nfs/dbraw/zinc/41/68/49/1134416849.db2.gz PKTXHCADUDPTAY-DLBZAZTESA-N -1 1 333.815 3.534 20 0 EHADMM Cc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)C1CCC1 ZINC001188138767 1134432302 /nfs/dbraw/zinc/43/23/02/1134432302.db2.gz JROGYUMLPAQSGI-UHFFFAOYSA-N -1 1 344.436 3.542 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(F)cc2c1OCOC2 ZINC001188874658 1134516026 /nfs/dbraw/zinc/51/60/26/1134516026.db2.gz VBDXZTGNDCQLRH-UHFFFAOYSA-N -1 1 338.722 3.695 20 0 EHADMM Cc1c(F)cccc1NC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001189024653 1134529677 /nfs/dbraw/zinc/52/96/77/1134529677.db2.gz YYNVUDNBXOZUHF-UHFFFAOYSA-N -1 1 328.299 3.590 20 0 EHADMM O=S(=O)([N-]CCC1CCC1)c1c(Cl)cccc1C(F)(F)F ZINC000756193152 1134603701 /nfs/dbraw/zinc/60/37/01/1134603701.db2.gz QKXYNDYXXLFURR-UHFFFAOYSA-N -1 1 341.782 3.827 20 0 EHADMM CN(CCCc1ccccc1)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190261569 1134674306 /nfs/dbraw/zinc/67/43/06/1134674306.db2.gz HESJJPUWKLSKSZ-UHFFFAOYSA-N -1 1 347.418 3.554 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1C ZINC001190270377 1134674961 /nfs/dbraw/zinc/67/49/61/1134674961.db2.gz KVBUCUHCDSBCAJ-UHFFFAOYSA-N -1 1 347.418 3.738 20 0 EHADMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001190500810 1134706974 /nfs/dbraw/zinc/70/69/74/1134706974.db2.gz ZKBSSTRZFJMDNK-UHFFFAOYSA-N -1 1 345.420 3.542 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)c(CO)c1)c1ccc(C2CC2)cc1 ZINC001190507825 1134708693 /nfs/dbraw/zinc/70/86/93/1134708693.db2.gz ZPNVKONNXMAMTB-UHFFFAOYSA-N -1 1 337.828 3.511 20 0 EHADMM COc1cc(C(=O)Nc2cccc3[nH]c(=O)ccc23)cc(Cl)c1[O-] ZINC001191148672 1134801043 /nfs/dbraw/zinc/80/10/43/1134801043.db2.gz PMQQCCKJRKFRNY-UHFFFAOYSA-N -1 1 344.754 3.560 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC3)cc1 ZINC001191248778 1134836862 /nfs/dbraw/zinc/83/68/62/1134836862.db2.gz IVQYAMFLWPIKDA-UHFFFAOYSA-N -1 1 343.448 3.959 20 0 EHADMM CC(C)N(C(=O)c1ccccc1C(=O)c1ccc([O-])cc1)C(C)C ZINC001191489946 1134872360 /nfs/dbraw/zinc/87/23/60/1134872360.db2.gz VATLSHKZTADKQT-UHFFFAOYSA-N -1 1 325.408 3.882 20 0 EHADMM Cc1cccc(N)c1NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191509596 1134876213 /nfs/dbraw/zinc/87/62/13/1134876213.db2.gz GSZGDPSVOKQAIT-UHFFFAOYSA-N -1 1 346.386 3.766 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)ccnc1Cl ZINC001191787047 1134922716 /nfs/dbraw/zinc/92/27/16/1134922716.db2.gz CIPFGJVPNVQABY-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1cc([O-])cc(F)c1F ZINC001192664924 1135047102 /nfs/dbraw/zinc/04/71/02/1135047102.db2.gz HVNSGXHHSGEAEC-MRXNPFEDSA-N -1 1 347.361 3.794 20 0 EHADMM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000804477423 1135080556 /nfs/dbraw/zinc/08/05/56/1135080556.db2.gz CHDJRIOZALGAPI-XOBRGWDASA-N -1 1 335.403 3.706 20 0 EHADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1coc2ccc(Cl)cc12 ZINC001129759260 1135152361 /nfs/dbraw/zinc/15/23/61/1135152361.db2.gz LXLZZLVWDYEVBB-UHFFFAOYSA-N -1 1 343.770 3.713 20 0 EHADMM CC(=O)c1cccc(O)c1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193747628 1135181966 /nfs/dbraw/zinc/18/19/66/1135181966.db2.gz LEFLCMGMBLXJJX-UHFFFAOYSA-N -1 1 339.269 3.572 20 0 EHADMM COc1ccc2cc([N-]S(=O)(=O)c3c(C)cccc3C)ccc2n1 ZINC001194638094 1135295310 /nfs/dbraw/zinc/29/53/10/1135295310.db2.gz HZQVNIXYLVMAPE-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM COc1ccc2ccc([N-]S(=O)(=O)c3c(C)cccc3C)cc2n1 ZINC001194642707 1135296762 /nfs/dbraw/zinc/29/67/62/1135296762.db2.gz MDMQIUJBOWGTTG-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM Cc1nc2cc(NC(=O)c3c[n-]c(C(F)(F)F)n3)c(C)cc2s1 ZINC001194783238 1135315046 /nfs/dbraw/zinc/31/50/46/1135315046.db2.gz KHTRXIQNPWDQKQ-UHFFFAOYSA-N -1 1 340.330 3.907 20 0 EHADMM Cc1nc(Cl)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)nc1C ZINC001195120158 1135372644 /nfs/dbraw/zinc/37/26/44/1135372644.db2.gz KXTDRKLRIUWASY-UHFFFAOYSA-N -1 1 339.848 3.671 20 0 EHADMM COc1cc(C(F)(F)F)ccc1NC(=O)c1cc([O-])cnc1Cl ZINC001195309139 1135410818 /nfs/dbraw/zinc/41/08/18/1135410818.db2.gz NGJXBOSZDRQYLF-UHFFFAOYSA-N -1 1 346.692 3.720 20 0 EHADMM O=C(Nc1ccc(C2CCOCC2)cc1)c1cc([O-])cnc1Cl ZINC001195310049 1135412013 /nfs/dbraw/zinc/41/20/13/1135412013.db2.gz ZFPROUKDEPCQED-UHFFFAOYSA-N -1 1 332.787 3.587 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2ccc(C3(C(F)(F)F)CC3)cc2)n1 ZINC001195314543 1135412866 /nfs/dbraw/zinc/41/28/66/1135412866.db2.gz HKZSRTHYSUAROF-UHFFFAOYSA-N -1 1 336.313 3.942 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(OC)ccc1-c1ccccc1 ZINC001195484843 1135432046 /nfs/dbraw/zinc/43/20/46/1135432046.db2.gz UWJNHFNPOPOMAM-UHFFFAOYSA-N -1 1 330.409 3.805 20 0 EHADMM O=S(=O)([N-]c1ccccc1SC(F)(F)F)c1ccc(O)cc1 ZINC001195794885 1135470764 /nfs/dbraw/zinc/47/07/64/1135470764.db2.gz MQRLBMIWYPPEBK-UHFFFAOYSA-N -1 1 349.355 3.805 20 0 EHADMM Cc1nc(Cl)cc(Cl)c1C(=O)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001196693007 1135602258 /nfs/dbraw/zinc/60/22/58/1135602258.db2.gz NDHVYWUTIFHVOG-UHFFFAOYSA-N -1 1 337.166 3.531 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c1 ZINC001196762609 1135603718 /nfs/dbraw/zinc/60/37/18/1135603718.db2.gz BMJYLIHIEQQJEN-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM CSc1ccc(NC(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001197210483 1135659828 /nfs/dbraw/zinc/65/98/28/1135659828.db2.gz MLAFQPPJNAVXPE-UHFFFAOYSA-N -1 1 338.379 3.757 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000808570598 1135695536 /nfs/dbraw/zinc/69/55/36/1135695536.db2.gz ZSYQMOXNFYWWLN-MDZDMXLPSA-N -1 1 340.857 3.870 20 0 EHADMM CC(C)c1cccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n1 ZINC001197646237 1135716202 /nfs/dbraw/zinc/71/62/02/1135716202.db2.gz UDGBRDDLTPBBID-UHFFFAOYSA-N -1 1 342.823 3.939 20 0 EHADMM Cc1ccnc(S(=O)(=O)[N-]c2c(Cl)cc(F)cc2C2CC2)c1 ZINC001198009152 1135761356 /nfs/dbraw/zinc/76/13/56/1135761356.db2.gz HFACQKKKXVNWNK-UHFFFAOYSA-N -1 1 340.807 3.861 20 0 EHADMM Cc1ccccc1NC(=S)Nc1nc(Br)ccc1[O-] ZINC001198396477 1135814913 /nfs/dbraw/zinc/81/49/13/1135814913.db2.gz IEHJAZRGYNXOSH-UHFFFAOYSA-N -1 1 338.230 3.667 20 0 EHADMM Cc1cc2cc[nH]c2c(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001198707702 1135851620 /nfs/dbraw/zinc/85/16/20/1135851620.db2.gz VQUNYIPEYJROCO-UHFFFAOYSA-N -1 1 332.363 3.620 20 0 EHADMM CCC(CC)CNC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000104921707 1135890211 /nfs/dbraw/zinc/89/02/11/1135890211.db2.gz SQLOOUJNHCJXIS-UHFFFAOYSA-N -1 1 346.500 3.859 20 0 EHADMM O=C(Oc1ccc2c(c1)CCC(=O)N2)c1cc2cc(Cl)sc2[n-]1 ZINC000810537524 1135974069 /nfs/dbraw/zinc/97/40/69/1135974069.db2.gz VXOCMHMDYKEBLG-UHFFFAOYSA-N -1 1 346.795 3.987 20 0 EHADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@H]1C[C@H](C)c2ccccc21 ZINC001201765107 1136061056 /nfs/dbraw/zinc/06/10/56/1136061056.db2.gz VKZFYGQMGNVYGI-UFBFGSQYSA-N -1 1 342.873 3.632 20 0 EHADMM COc1ccc(NC(=O)Nc2cccc([O-])c2Br)cc1 ZINC001202396134 1136141728 /nfs/dbraw/zinc/14/17/28/1136141728.db2.gz OXVNGRPVXOVQJZ-UHFFFAOYSA-N -1 1 337.173 3.807 20 0 EHADMM O=S(=O)([N-]c1cccnc1Cl)c1ccc(C(F)(F)F)s1 ZINC000812268720 1136190013 /nfs/dbraw/zinc/19/00/13/1136190013.db2.gz NHPZXJIDOHCXQE-UHFFFAOYSA-N -1 1 342.751 3.616 20 0 EHADMM O=C(OCc1ccccc1)c1ccc(C(=O)OC[C@@H]2CCC2(F)F)[n-]1 ZINC000851321512 1136367305 /nfs/dbraw/zinc/36/73/05/1136367305.db2.gz YRRYSPCXWWIQBR-ZDUSSCGKSA-N -1 1 349.333 3.574 20 0 EHADMM CN(C)c1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000814749613 1136501017 /nfs/dbraw/zinc/50/10/17/1136501017.db2.gz FKKAFDQJIXITCH-UHFFFAOYSA-N -1 1 329.347 3.559 20 0 EHADMM Cc1noc([C@H]([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)C(C)C)n1 ZINC001135182752 1136634897 /nfs/dbraw/zinc/63/48/97/1136634897.db2.gz QABVVZTYRKFIFG-GFCCVEGCSA-N -1 1 343.761 3.637 20 0 EHADMM COc1ccc([C@@H]2CCCN2C(=O)c2cccc([O-])c2F)cc1OC ZINC001135223098 1136639097 /nfs/dbraw/zinc/63/90/97/1136639097.db2.gz CJADWDNXFGGTCP-AWEZNQCLSA-N -1 1 345.370 3.526 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCSC[C@H]1C1CC1 ZINC000888491274 1136709224 /nfs/dbraw/zinc/70/92/24/1136709224.db2.gz QWDLBQNCAXVIIY-ZDUSSCGKSA-N -1 1 345.386 3.769 20 0 EHADMM Cc1nc(SC2CCCC2)sc1CC(=O)[N-]OCC1CCC1 ZINC000856344284 1136778771 /nfs/dbraw/zinc/77/87/71/1136778771.db2.gz LUBLOVLCDNPSTJ-UHFFFAOYSA-N -1 1 340.514 3.877 20 0 EHADMM CCc1cc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)on1 ZINC000817435930 1136810642 /nfs/dbraw/zinc/81/06/42/1136810642.db2.gz GOAASOPIJUFBPV-UHFFFAOYSA-N -1 1 349.164 3.952 20 0 EHADMM CC(Cl)(Cl)C(=O)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000776964741 1136907338 /nfs/dbraw/zinc/90/73/38/1136907338.db2.gz NYWRLFMHBFYYIZ-SSDOTTSWSA-N -1 1 329.010 3.737 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2c(Cl)nn(C)c2Cl)s1 ZINC000858691820 1136987107 /nfs/dbraw/zinc/98/71/07/1136987107.db2.gz JARRBJHQKRCNCD-UHFFFAOYSA-N -1 1 348.259 3.734 20 0 EHADMM O=C(COC(=O)c1ccc([O-])cc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000859623049 1137023419 /nfs/dbraw/zinc/02/34/19/1137023419.db2.gz RCJDBGGDWABEAK-VHSXEESVSA-N -1 1 348.292 3.626 20 0 EHADMM Cc1cc(C(F)(F)C(=O)[N-][C@H](C)c2ncccc2F)cnc1Cl ZINC000822343363 1137057740 /nfs/dbraw/zinc/05/77/40/1137057740.db2.gz PIYVLAHVXJVZOS-SECBINFHSA-N -1 1 343.736 3.547 20 0 EHADMM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1ccc([O-])cc1F ZINC001136713013 1137097367 /nfs/dbraw/zinc/09/73/67/1137097367.db2.gz RNYBAXLHQONZFO-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM Cc1ccc(Oc2ccc(NC(=O)c3cccc([O-])c3F)cc2)nn1 ZINC001136837181 1137128174 /nfs/dbraw/zinc/12/81/74/1137128174.db2.gz YZWPBUCGRZQDLO-UHFFFAOYSA-N -1 1 339.326 3.674 20 0 EHADMM CCC(CC)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001136903577 1137144563 /nfs/dbraw/zinc/14/45/63/1137144563.db2.gz HMCWGOBJHIBGBQ-SFHVURJKSA-N -1 1 325.408 3.869 20 0 EHADMM O=C(CC1CCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000173482235 1137159718 /nfs/dbraw/zinc/15/97/18/1137159718.db2.gz MEJKNZOFRPCNMB-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM Cc1ncc([C@@H](C)[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)s1 ZINC000825250676 1137170624 /nfs/dbraw/zinc/17/06/24/1137170624.db2.gz ODCVCHBMGJFZIA-SSDOTTSWSA-N -1 1 332.322 3.699 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1CC12CCC2 ZINC000843886366 1137186587 /nfs/dbraw/zinc/18/65/87/1137186587.db2.gz PYJCNETZEYJGBA-MRVPVSSYSA-N -1 1 330.609 3.937 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 ZINC001143846053 1137203645 /nfs/dbraw/zinc/20/36/45/1137203645.db2.gz BAXFERQCVKNTPP-UHFFFAOYSA-N -1 1 331.422 3.818 20 0 EHADMM COCCOc1ccc(Cc2nc(=O)c3c(C)sc(C)c3[n-]2)cc1 ZINC000864356945 1137223410 /nfs/dbraw/zinc/22/34/10/1137223410.db2.gz ZIZBZEHURPKVHL-UHFFFAOYSA-N -1 1 344.436 3.630 20 0 EHADMM CC[C@@H](C)Oc1ccc(-c2nc3c4cccnc4n(C)c3c(=O)[n-]2)cc1 ZINC000864355767 1137223485 /nfs/dbraw/zinc/22/34/85/1137223485.db2.gz JNYJDAQGUWUQJD-GFCCVEGCSA-N -1 1 348.406 3.654 20 0 EHADMM O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc([O-])c(F)c1 ZINC001144272697 1137263989 /nfs/dbraw/zinc/26/39/89/1137263989.db2.gz AWGGEWORPYRJLN-UHFFFAOYSA-N -1 1 339.288 3.969 20 0 EHADMM Cc1nc(SCc2cnc(Cl)c(F)c2)[n-]c(=O)c1C1CC1 ZINC000865373172 1137278196 /nfs/dbraw/zinc/27/81/96/1137278196.db2.gz IVVFTZPZXOQHNY-UHFFFAOYSA-N -1 1 325.796 3.848 20 0 EHADMM Cc1ccc([C@]2(C)CN(Cc3cc(F)c([O-])cc3F)CCO2)cc1 ZINC001144657705 1137323622 /nfs/dbraw/zinc/32/36/22/1137323622.db2.gz FFLSGAIHMOFIHF-IBGZPJMESA-N -1 1 333.378 3.726 20 0 EHADMM CC(C)COc1ccc(CCNC(=O)c2cccc([O-])c2F)cc1 ZINC001144739453 1137341622 /nfs/dbraw/zinc/34/16/22/1137341622.db2.gz HNSRJFFSKMKHFR-UHFFFAOYSA-N -1 1 331.387 3.539 20 0 EHADMM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000866501203 1137359288 /nfs/dbraw/zinc/35/92/88/1137359288.db2.gz ZAOOLUJVLBCIBH-VIFPVBQESA-N -1 1 349.786 3.780 20 0 EHADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)c([O-])c2)cc1F ZINC001146432006 1137390512 /nfs/dbraw/zinc/39/05/12/1137390512.db2.gz PAINMUVEINKPPE-OAHLLOKOSA-N -1 1 333.334 3.656 20 0 EHADMM C[C@@H]1c2ccc(Cl)n2CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000868381989 1137407675 /nfs/dbraw/zinc/40/76/75/1137407675.db2.gz QWBDOFOURJEVQR-SNVBAGLBSA-N -1 1 339.222 3.646 20 0 EHADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(C)cc(C=O)c2[O-])cc1 ZINC001148095704 1137417636 /nfs/dbraw/zinc/41/76/36/1137417636.db2.gz JPTPIQIZXIVNDB-UHFFFAOYSA-N -1 1 339.435 3.871 20 0 EHADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)[C@@H]1c1ccccc1 ZINC001148193336 1137418846 /nfs/dbraw/zinc/41/88/46/1137418846.db2.gz YFLKQCUEOWVCAF-BLVKFPJESA-N -1 1 336.366 3.913 20 0 EHADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000235415885 1137426800 /nfs/dbraw/zinc/42/68/00/1137426800.db2.gz GJYQSDQPCRQHRE-ZYHUDNBSSA-N -1 1 326.234 3.853 20 0 EHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCc2cnccc2C1 ZINC001148861764 1137436438 /nfs/dbraw/zinc/43/64/38/1137436438.db2.gz XKPDUWQBPLUVCG-UHFFFAOYSA-N -1 1 330.387 3.653 20 0 EHADMM CCN(C)c1ncc(NC(=O)c2cccc(-c3ccccc3)c2[O-])cn1 ZINC001148866826 1137436584 /nfs/dbraw/zinc/43/65/84/1137436584.db2.gz GQLYNJCITNGTFU-UHFFFAOYSA-N -1 1 348.406 3.558 20 0 EHADMM O=C(NC[C@@H](CO)c1ccccc1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872899 1137437076 /nfs/dbraw/zinc/43/70/76/1137437076.db2.gz QVSKOSRTUCVQQI-SFHVURJKSA-N -1 1 347.414 3.565 20 0 EHADMM CC(C)(C)OC(=O)[C@H](C(=O)Nc1cccc(F)c1[O-])C1CCCC1 ZINC001171638250 1137504586 /nfs/dbraw/zinc/50/45/86/1137504586.db2.gz TUYIMWYHGMSUCY-AWEZNQCLSA-N -1 1 337.391 3.618 20 0 EHADMM FC(F)(F)c1n[n-]nc1-c1nc(-c2ccc3sccc3c2)no1 ZINC001212653030 1137548823 /nfs/dbraw/zinc/54/88/23/1137548823.db2.gz UJYYUQZWMXNXGV-UHFFFAOYSA-N -1 1 337.286 3.755 20 0 EHADMM [O-]c1ccc(CNC(=S)NCCCCC(F)(F)F)cc1Cl ZINC000871684318 1137553380 /nfs/dbraw/zinc/55/33/80/1137553380.db2.gz UFYBDRHJKIOAPJ-UHFFFAOYSA-N -1 1 340.798 3.742 20 0 EHADMM COCc1cccc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)c1 ZINC000871883237 1137562434 /nfs/dbraw/zinc/56/24/34/1137562434.db2.gz GXNMGGMJVVMYHC-KRWDZBQOSA-N -1 1 333.815 3.792 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccnc2C)cc1C(C)C ZINC000872002980 1137564232 /nfs/dbraw/zinc/56/42/32/1137564232.db2.gz JFAXBPDFJZNOMN-UHFFFAOYSA-N -1 1 334.441 3.713 20 0 EHADMM C[C@@H](CCCC(F)(F)F)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872986412 1137587563 /nfs/dbraw/zinc/58/75/63/1137587563.db2.gz MVSJPEAQMZEFSF-VIFPVBQESA-N -1 1 338.757 3.966 20 0 EHADMM CSCC1CCC(NC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000875633339 1137636208 /nfs/dbraw/zinc/63/62/08/1137636208.db2.gz NUXNLFRPARVADX-UHFFFAOYSA-N -1 1 342.892 3.767 20 0 EHADMM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876395895 1137650729 /nfs/dbraw/zinc/65/07/29/1137650729.db2.gz RLOHJFXZQXVACZ-MLGOLLRUSA-N -1 1 345.830 3.733 20 0 EHADMM CC(C)(C)OC(=O)Cc1ccc(Oc2cc(Cl)nc(=O)[n-]2)cc1 ZINC000882564681 1137829431 /nfs/dbraw/zinc/82/94/31/1137829431.db2.gz UWFQWCMIQISABZ-UHFFFAOYSA-N -1 1 336.775 3.512 20 0 EHADMM Cc1noc(C2CC2)c1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000130002733 1137833316 /nfs/dbraw/zinc/83/33/16/1137833316.db2.gz ACTFGTUFBHBHFU-UHFFFAOYSA-N -1 1 332.410 3.693 20 0 EHADMM C[C@H]1c2sccc2CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000883811831 1137871531 /nfs/dbraw/zinc/87/15/31/1137871531.db2.gz XQEYTNQNLKPGCH-JTQLQIEISA-N -1 1 336.844 3.936 20 0 EHADMM CCN(CC)c1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000884352274 1137952582 /nfs/dbraw/zinc/95/25/82/1137952582.db2.gz GNLOBKWJVZWTTA-UHFFFAOYSA-N -1 1 342.443 3.713 20 0 EHADMM CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000333022665 1137953013 /nfs/dbraw/zinc/95/30/13/1137953013.db2.gz FNJIAWBIJHUGSP-MRXNPFEDSA-N -1 1 349.434 3.610 20 0 EHADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)c1ccc(Br)cc1 ZINC000135271303 1137965164 /nfs/dbraw/zinc/96/51/64/1137965164.db2.gz TZEKGWRVAMJHFY-MRVPVSSYSA-N -1 1 340.139 3.553 20 0 EHADMM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC000885676744 1138017823 /nfs/dbraw/zinc/01/78/23/1138017823.db2.gz UATBTDCJWPGPHC-ZETCQYMHSA-N -1 1 344.795 3.909 20 0 EHADMM CC[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)c1c(C)noc1C ZINC000885674588 1138018007 /nfs/dbraw/zinc/01/80/07/1138018007.db2.gz RIZOVZWNJSLTTB-VIFPVBQESA-N -1 1 326.755 3.922 20 0 EHADMM CC1(C)CCc2onc(C(=O)Nc3cc(F)c([O-])cc3Cl)c2C1 ZINC000885680744 1138018225 /nfs/dbraw/zinc/01/82/25/1138018225.db2.gz XQXLMEKSPNJJPK-UHFFFAOYSA-N -1 1 338.766 3.940 20 0 EHADMM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)C1(C)C ZINC000885678005 1138018401 /nfs/dbraw/zinc/01/84/01/1138018401.db2.gz GOYJMSZVLLPRCL-DTWKUNHWSA-N -1 1 327.783 3.765 20 0 EHADMM Cc1c(Cl)cccc1NC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000085546127 1138184600 /nfs/dbraw/zinc/18/46/00/1138184600.db2.gz NHDFJOXXWYTMCX-UHFFFAOYSA-N -1 1 339.852 3.805 20 0 EHADMM COc1cc(C(=O)N2CCC(C)=C(c3ccco3)C2)cc(Cl)c1[O-] ZINC000338336591 1138839052 /nfs/dbraw/zinc/83/90/52/1138839052.db2.gz PGIPGFXLEJZSTB-UHFFFAOYSA-N -1 1 347.798 3.967 20 0 EHADMM CC(C)(C)c1nsc([N-]C(=O)c2coc(-c3ccccc3)n2)n1 ZINC000265521027 1138941848 /nfs/dbraw/zinc/94/18/48/1138941848.db2.gz CTXVOHDCCNNBNH-UHFFFAOYSA-N -1 1 328.397 3.743 20 0 EHADMM CCCCCC[C@@H](C)CC(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889791093 1139268658 /nfs/dbraw/zinc/26/86/58/1139268658.db2.gz CIXCPKWHJXIUQG-CABCVRRESA-N -1 1 349.475 3.851 20 0 EHADMM COc1cnc([C@H]2CCCN2C(=O)C[C@H](C)CCC=C(C)C)[n-]c1=O ZINC000889787938 1139268720 /nfs/dbraw/zinc/26/87/20/1139268720.db2.gz SQSFZOJFAXWBHD-HUUCEWRRSA-N -1 1 347.459 3.627 20 0 EHADMM Cc1nc(C(=O)[N-]c2nnc(C(C)C)s2)c(-c2ccccc2)o1 ZINC000183872377 1140062996 /nfs/dbraw/zinc/06/29/96/1140062996.db2.gz TTYPHZINVLBRSV-UHFFFAOYSA-N -1 1 328.397 3.877 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2nccn2Cc2ccccc2)[n-]1 ZINC000195081468 1140630188 /nfs/dbraw/zinc/63/01/88/1140630188.db2.gz BOEKOLNMCMGCCA-UHFFFAOYSA-N -1 1 338.436 3.597 20 0 EHADMM Cn1ccnc1[C@H](NCc1cccc([O-])c1Cl)c1cccc(F)c1 ZINC000339189542 1141522668 /nfs/dbraw/zinc/52/26/68/1141522668.db2.gz WANAXYAMKDIXND-QGZVFWFLSA-N -1 1 345.805 3.797 20 0 EHADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000104179634 219355868 /nfs/dbraw/zinc/35/58/68/219355868.db2.gz RFJYKTBTNNUPNJ-WDEREUQCSA-N -1 1 326.234 3.711 20 0 EHADMM COc1ccc(-c2nc(CN3CCCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000650506248 599754210 /nfs/dbraw/zinc/75/42/10/599754210.db2.gz FCGQWJJVFNVNOL-HNNXBMFYSA-N -1 1 346.452 3.648 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738452793 599949027 /nfs/dbraw/zinc/94/90/27/599949027.db2.gz SJBAQTAOKYKTTA-UHFFFAOYSA-N -1 1 335.363 3.644 20 0 EHADMM COc1ccccc1CN(Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000576950305 600086774 /nfs/dbraw/zinc/08/67/74/600086774.db2.gz YPAUWJJKROMJEA-UHFFFAOYSA-N -1 1 329.371 3.697 20 0 EHADMM COc1ccc(-c2nc(CN(CCC(=O)[O-])C(C)C)cs2)cc1 ZINC000652479283 600219398 /nfs/dbraw/zinc/21/93/98/600219398.db2.gz WJIDKBDAAJIPDY-UHFFFAOYSA-N -1 1 334.441 3.504 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1ncc(-c3ccc(Cl)cc3)o1)CC2 ZINC000405355365 600310547 /nfs/dbraw/zinc/31/05/47/600310547.db2.gz IDJYQTLSQFFPEN-AWEZNQCLSA-N -1 1 346.814 3.682 20 0 EHADMM CC[C@@H](C)CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736879212 600324590 /nfs/dbraw/zinc/32/45/90/600324590.db2.gz BAEAPLFSWPDDQJ-SECBINFHSA-N -1 1 347.242 3.608 20 0 EHADMM CC[C@H](NCc1ccc(OC)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000736920004 600452804 /nfs/dbraw/zinc/45/28/04/600452804.db2.gz GGTOFGMJXIKOFI-INIZCTEOSA-N -1 1 335.350 3.913 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@H](C)c2cccc(C)c2C)c(C)c1C(=O)[O-] ZINC000738694313 600640265 /nfs/dbraw/zinc/64/02/65/600640265.db2.gz YNXHSDPCXOLJFM-UKRRQHHQSA-N -1 1 342.439 3.869 20 0 EHADMM COc1ccccc1-c1nc(CN(CCC(=O)[O-])C(C)C)cs1 ZINC000652478752 600714006 /nfs/dbraw/zinc/71/40/06/600714006.db2.gz WFSQCGAOKVPOSI-UHFFFAOYSA-N -1 1 334.441 3.504 20 0 EHADMM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000426794345 600736537 /nfs/dbraw/zinc/73/65/37/600736537.db2.gz UEIXFTYOUABRPG-GOSISDBHSA-N -1 1 347.386 3.539 20 0 EHADMM CN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1F ZINC000830791958 600816313 /nfs/dbraw/zinc/81/63/13/600816313.db2.gz JANKNYSVUYIFQN-UHFFFAOYSA-N -1 1 337.778 3.688 20 0 EHADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1 ZINC000391060887 600882303 /nfs/dbraw/zinc/88/23/03/600882303.db2.gz LRSAUHCGZMMIQC-UHFFFAOYSA-N -1 1 333.771 3.660 20 0 EHADMM Cc1ccc(-c2cnc(CN3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])o2)cc1 ZINC000262434638 600987238 /nfs/dbraw/zinc/98/72/38/600987238.db2.gz CBDUCPFPOROGOA-BBWFWOEESA-N -1 1 340.423 3.868 20 0 EHADMM CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000736300134 601045573 /nfs/dbraw/zinc/04/55/73/601045573.db2.gz ULMUAXWZYCRUMM-UHFFFAOYSA-N -1 1 339.438 3.545 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@@H](C)c2ccc(C)c(F)c2)c(C)c1C(=O)[O-] ZINC000832920821 601500409 /nfs/dbraw/zinc/50/04/09/601500409.db2.gz IAXCRCHAWYHKPZ-AAEUAGOBSA-N -1 1 346.402 3.699 20 0 EHADMM O=C([O-])c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1F ZINC000833315158 601616710 /nfs/dbraw/zinc/61/67/10/601616710.db2.gz SKDNGONWZZIVAK-UHFFFAOYSA-N -1 1 329.346 3.952 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000826052546 601656430 /nfs/dbraw/zinc/65/64/30/601656430.db2.gz GSFZLYNJZJKEHJ-LRDDRELGSA-N -1 1 332.469 3.992 20 0 EHADMM O=C([O-])Cc1ccccc1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000238097357 601729168 /nfs/dbraw/zinc/72/91/68/601729168.db2.gz HTYINRHZOJFJRJ-UHFFFAOYSA-N -1 1 347.374 3.705 20 0 EHADMM Cc1ccc(C=Cc2n[nH]c(SCc3ccc(C(=O)[O-])s3)n2)o1 ZINC000832927853 601893357 /nfs/dbraw/zinc/89/33/57/601893357.db2.gz CJCKSFXUEAZNBS-DAXSKMNVSA-N -1 1 347.421 3.929 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000824755224 607532230 /nfs/dbraw/zinc/53/22/30/607532230.db2.gz KFYGMCGRWNRHDA-SNVBAGLBSA-N -1 1 331.832 3.910 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000824755224 607532231 /nfs/dbraw/zinc/53/22/31/607532231.db2.gz KFYGMCGRWNRHDA-SNVBAGLBSA-N -1 1 331.832 3.910 20 0 EHADMM C/C(=C\CN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl)C(=O)[O-] ZINC000825741734 601907743 /nfs/dbraw/zinc/90/77/43/601907743.db2.gz QXMAQBZSEZYADI-GMMCIKNFSA-N -1 1 339.867 3.669 20 0 EHADMM Cc1noc(C)c1CN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833020987 601973089 /nfs/dbraw/zinc/97/30/89/601973089.db2.gz GCLQMNFJWRGEFZ-ZDUSSCGKSA-N -1 1 329.183 3.514 20 0 EHADMM Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740274127 602301268 /nfs/dbraw/zinc/30/12/68/602301268.db2.gz IHRMMYOWFQLYMT-ZDUSSCGKSA-N -1 1 349.456 3.533 20 0 EHADMM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc(-c3cccs3)n[nH]2)n1 ZINC000738818492 603001084 /nfs/dbraw/zinc/00/10/84/603001084.db2.gz YLJQIMZCTRUNAC-JTQLQIEISA-N -1 1 347.400 3.543 20 0 EHADMM O=C([O-])N[C@H](CCC(=O)Nc1cccc(Cl)c1O)c1ccccc1 ZINC000740540376 603309835 /nfs/dbraw/zinc/30/98/35/603309835.db2.gz PGUGYLLUMWCBOA-CYBMUJFWSA-N -1 1 348.786 3.773 20 0 EHADMM O=C([O-])Nc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cn1 ZINC000832842187 603540316 /nfs/dbraw/zinc/54/03/16/603540316.db2.gz PVXKEALWDQQTDM-UHFFFAOYSA-N -1 1 343.280 3.619 20 0 EHADMM Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830936979 604232031 /nfs/dbraw/zinc/23/20/31/604232031.db2.gz RUESPRRPDORXTE-BBRMVZONSA-N -1 1 343.427 3.518 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccccc1N1CCCC1 ZINC000833547829 605037215 /nfs/dbraw/zinc/03/72/15/605037215.db2.gz XYLBSNCMCFITSP-AWEZNQCLSA-N -1 1 328.412 3.771 20 0 EHADMM Clc1ccc([C@H]2CCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822574370 606469511 /nfs/dbraw/zinc/46/95/11/606469511.db2.gz SWPCEMSRPCGOFC-GFCCVEGCSA-N -1 1 347.209 3.520 20 0 EHADMM Clc1ccc([C@H]2CCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822574370 606469513 /nfs/dbraw/zinc/46/95/13/606469513.db2.gz SWPCEMSRPCGOFC-GFCCVEGCSA-N -1 1 347.209 3.520 20 0 EHADMM Cc1cc(C)cc(CSc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000822196580 606731926 /nfs/dbraw/zinc/73/19/26/606731926.db2.gz OKKYQGZZTBCJRX-UHFFFAOYSA-N -1 1 348.435 3.719 20 0 EHADMM Cc1cc(Nc2cccc(-c3nnn[n-]3)n2)ccc1Oc1cccnc1 ZINC000826271436 607897228 /nfs/dbraw/zinc/89/72/28/607897228.db2.gz RCNDHJTZASMJJT-UHFFFAOYSA-N -1 1 345.366 3.501 20 0 EHADMM Cc1cc(Nc2cccc(-c3nn[n-]n3)n2)ccc1Oc1cccnc1 ZINC000826271436 607897229 /nfs/dbraw/zinc/89/72/29/607897229.db2.gz RCNDHJTZASMJJT-UHFFFAOYSA-N -1 1 345.366 3.501 20 0 EHADMM C[C@@H]1C[C@H]1[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000824899871 607900467 /nfs/dbraw/zinc/90/04/67/607900467.db2.gz PPVQABUWNJNGIA-CKUKBARFSA-N -1 1 340.818 3.724 20 0 EHADMM C[C@@H]1C[C@H]1[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000824899871 607900468 /nfs/dbraw/zinc/90/04/68/607900468.db2.gz PPVQABUWNJNGIA-CKUKBARFSA-N -1 1 340.818 3.724 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2C=CCC2)c(-c2nnn[n-]2)s1 ZINC000824129650 607928978 /nfs/dbraw/zinc/92/89/78/607928978.db2.gz CUGTZJRYBQTBKV-SNVBAGLBSA-N -1 1 331.445 3.521 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2C=CCC2)c(-c2nn[n-]n2)s1 ZINC000824129650 607928979 /nfs/dbraw/zinc/92/89/79/607928979.db2.gz CUGTZJRYBQTBKV-SNVBAGLBSA-N -1 1 331.445 3.521 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@@H]2CC=CCC2)c(-c2nnn[n-]2)s1 ZINC000824131359 607929402 /nfs/dbraw/zinc/92/94/02/607929402.db2.gz ZZSBXSABEYPKBT-SNVBAGLBSA-N -1 1 331.445 3.521 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@@H]2CC=CCC2)c(-c2nn[n-]n2)s1 ZINC000824131359 607929403 /nfs/dbraw/zinc/92/94/03/607929403.db2.gz ZZSBXSABEYPKBT-SNVBAGLBSA-N -1 1 331.445 3.521 20 0 EHADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)Cc2ccccc21 ZINC000736289445 944787160 /nfs/dbraw/zinc/78/71/60/944787160.db2.gz LVVLVFJJHWUNQQ-ZDUSSCGKSA-N -1 1 342.406 3.539 20 0 EHADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)Cc2ccccc21 ZINC000736289445 944787166 /nfs/dbraw/zinc/78/71/66/944787166.db2.gz LVVLVFJJHWUNQQ-ZDUSSCGKSA-N -1 1 342.406 3.539 20 0 EHADMM CC1=C(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)CCC1 ZINC000824852632 946949259 /nfs/dbraw/zinc/94/92/59/946949259.db2.gz OSYHXIHNJBNGOI-UHFFFAOYSA-N -1 1 331.445 3.665 20 0 EHADMM CC1=C(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)CCC1 ZINC000824852632 946949267 /nfs/dbraw/zinc/94/92/67/946949267.db2.gz OSYHXIHNJBNGOI-UHFFFAOYSA-N -1 1 331.445 3.665 20 0 EHADMM C[C@@H]1CCCC[C@@H]1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001576171078 949746604 /nfs/dbraw/zinc/74/66/04/949746604.db2.gz OCZJEJKNFOOMRL-NXEZZACHSA-N -1 1 340.353 3.519 20 0 EHADMM C[C@@H]1CCCC[C@@H]1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001576171078 949746622 /nfs/dbraw/zinc/74/66/22/949746622.db2.gz OCZJEJKNFOOMRL-NXEZZACHSA-N -1 1 340.353 3.519 20 0 EHADMM CCN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Cc1occc1C ZINC001589736784 950547006 /nfs/dbraw/zinc/54/70/06/950547006.db2.gz OHBLITBZRLUEKV-OAHLLOKOSA-N -1 1 346.427 3.504 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)cc(Br)c2)C1 ZINC001589281580 953520204 /nfs/dbraw/zinc/52/02/04/953520204.db2.gz VXIYQERAYOSKFR-KOLCDFICSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@@H]1CN(CCSc2ccc(F)cc2F)Cc2ccccc21 ZINC000662227632 954398334 /nfs/dbraw/zinc/39/83/34/954398334.db2.gz XCZOCFPDCSEVHC-OAHLLOKOSA-N -1 1 349.402 3.741 20 0 EHADMM COCCN(CC(=O)[O-])Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC000901586648 956356686 /nfs/dbraw/zinc/35/66/86/956356686.db2.gz KBHWNMIUBSYGDV-UHFFFAOYSA-N -1 1 333.815 3.540 20 0 EHADMM C[C@H](CN(C)[C@H](C)c1nnc(-c2ccc3ccccc3c2)o1)C(=O)[O-] ZINC001603155510 972255257 /nfs/dbraw/zinc/25/52/57/972255257.db2.gz ATSUMXBDMUPFJI-CHWSQXEVSA-N -1 1 339.395 3.603 20 0 EHADMM CC[C@H](CSC)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226736886 959899102 /nfs/dbraw/zinc/89/91/02/959899102.db2.gz RQWUEDCDCJWEJZ-GFCCVEGCSA-N -1 1 346.290 3.721 20 0 EHADMM Cc1ccc(OC2CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)cc1 ZINC001231457368 960607810 /nfs/dbraw/zinc/60/78/10/960607810.db2.gz JVSGYMXTYVUELO-UHFFFAOYSA-N -1 1 343.398 3.876 20 0 EHADMM O=C([O-])[C@]1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC=CCC1 ZINC000653281908 968637976 /nfs/dbraw/zinc/63/79/76/968637976.db2.gz FNUHGJDGOKTEMS-LJQANCHMSA-N -1 1 339.395 3.580 20 0 EHADMM O=C([O-])C1(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)CC=CC1 ZINC001605938433 972885735 /nfs/dbraw/zinc/88/57/35/972885735.db2.gz ZOBYATYQIHDLIG-UHFFFAOYSA-N -1 1 347.374 3.589 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(-c2ccccc2Cl)on1 ZINC001603390990 973005331 /nfs/dbraw/zinc/00/53/31/973005331.db2.gz FMKLNDOPLYWYTP-NWDGAFQWSA-N -1 1 334.803 3.680 20 0 EHADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000414689351 973948759 /nfs/dbraw/zinc/94/87/59/973948759.db2.gz ZVIMTBYBHKUHRK-SNVBAGLBSA-N -1 1 327.302 3.870 20 0 EHADMM Cc1cc(Cl)ccc1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417695342 973966631 /nfs/dbraw/zinc/96/66/31/973966631.db2.gz BEJTWNLYYKBLKU-UHFFFAOYSA-N -1 1 330.815 3.909 20 0 EHADMM Cc1ccc(-c2csc(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)n2)cc1 ZINC000580456574 974894819 /nfs/dbraw/zinc/89/48/19/974894819.db2.gz IOYZXDOXBGUWBD-OAHLLOKOSA-N -1 1 342.464 3.805 20 0 EHADMM COc1cc(C)c(CN(C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000584356160 974954362 /nfs/dbraw/zinc/95/43/62/974954362.db2.gz AXWDXJBJUBBAQY-ZDUSSCGKSA-N -1 1 347.411 3.805 20 0 EHADMM C[C@]1(C(=O)[O-])CCCN(Cc2csc(CCc3ccccc3)n2)C1 ZINC000652482845 975552952 /nfs/dbraw/zinc/55/29/52/975552952.db2.gz XPIZOMXPIWVBTA-IBGZPJMESA-N -1 1 344.480 3.615 20 0 EHADMM O=C(OCc1coc(-c2ccccc2)n1)c1c([O-])cc(F)cc1F ZINC000063543305 1014371412 /nfs/dbraw/zinc/37/14/12/1014371412.db2.gz YEEBXJKQOOAICN-UHFFFAOYSA-N -1 1 331.274 3.682 20 0 EHADMM CCc1cccc2cc(CN[C@@H]3CCCn4nc(C(=O)[O-])cc43)oc21 ZINC000900073400 980245524 /nfs/dbraw/zinc/24/55/24/980245524.db2.gz IDWFNPBTEKPRFU-OAHLLOKOSA-N -1 1 339.395 3.515 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2cncc(C(F)(F)F)c2)n1 ZINC000460868350 1032099277 /nfs/dbraw/zinc/09/92/77/1032099277.db2.gz BFMFJISGWZRAHG-UHFFFAOYSA-N -1 1 329.347 3.841 20 0 EHADMM C[C@H]1C[C@@H]1c1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)o1 ZINC000901933183 980637471 /nfs/dbraw/zinc/63/74/71/980637471.db2.gz ZJVQLKLUIYHHJG-FZMZJTMJSA-N -1 1 346.452 3.937 20 0 EHADMM CCc1oc(CN(C)CCOc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902065630 980718273 /nfs/dbraw/zinc/71/82/73/980718273.db2.gz NJYNCYAJULMWIB-UHFFFAOYSA-N -1 1 337.803 3.704 20 0 EHADMM CC(C)(C)Oc1cccc(CNCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000902499698 980911078 /nfs/dbraw/zinc/91/10/78/980911078.db2.gz BHBNUHHUGZINTP-MDZDMXLPSA-N -1 1 329.396 3.845 20 0 EHADMM O=C([O-])c1cnc([C@H]2CCN(Cc3c(F)cccc3Cl)C2)s1 ZINC000903928528 981047574 /nfs/dbraw/zinc/04/75/74/981047574.db2.gz SMQJAPAGWIZPRM-VIFPVBQESA-N -1 1 340.807 3.623 20 0 EHADMM C[C@H](NCc1cc(C(=O)[O-])cs1)c1cc(Cl)cc2c1OCC2 ZINC000905769055 981146737 /nfs/dbraw/zinc/14/67/37/981146737.db2.gz AKAAMXWQYXOUMD-VIFPVBQESA-N -1 1 337.828 3.885 20 0 EHADMM CCC[C@@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC001595622324 981708769 /nfs/dbraw/zinc/70/87/69/981708769.db2.gz NVCHXGXVLDNJPT-CYBMUJFWSA-N -1 1 338.473 3.514 20 0 EHADMM CCN(CCc1ccccn1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001596352645 983811645 /nfs/dbraw/zinc/81/16/45/983811645.db2.gz RXGRYAFDNBVRQJ-INIZCTEOSA-N -1 1 336.794 3.564 20 0 EHADMM CC(C)c1csc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000154094708 1014989963 /nfs/dbraw/zinc/98/99/63/1014989963.db2.gz MQBCHJHNRZPHIB-UHFFFAOYSA-N -1 1 348.852 3.538 20 0 EHADMM CCOC(OCC)[C@@H](C)NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001596791354 985274494 /nfs/dbraw/zinc/27/44/94/985274494.db2.gz UEZXQURAJVNWRB-CYBMUJFWSA-N -1 1 347.411 3.522 20 0 EHADMM CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccc([O-])c(F)c2F)c(C)n1 ZINC000655137361 1015117580 /nfs/dbraw/zinc/11/75/80/1015117580.db2.gz UCXUBPCHOABLTO-VIFPVBQESA-N -1 1 349.381 3.772 20 0 EHADMM Cc1[nH]c(C(=O)CN2C[C@H](C)C[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599943893 985491055 /nfs/dbraw/zinc/49/10/55/985491055.db2.gz HEPRLZONCIFPNF-MLGOLLRUSA-N -1 1 340.423 3.596 20 0 EHADMM Cc1[nH]c(C(=O)CN2CC[C@@H](C(C)(C)C)C[C@H]2C)c(C)c1C(=O)[O-] ZINC001599944160 985496113 /nfs/dbraw/zinc/49/61/13/985496113.db2.gz JKTWLWCYCNCEKB-BXUZGUMPSA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC001599961300 985786752 /nfs/dbraw/zinc/78/67/52/985786752.db2.gz SAVWNMHKELXXDE-QGZVFWFLSA-N -1 1 340.423 3.725 20 0 EHADMM Cc1nc(S[C@@H](C)c2nc(C(=O)[O-])co2)[nH]c1-c1ccccc1 ZINC001599965871 985904348 /nfs/dbraw/zinc/90/43/48/985904348.db2.gz KGYJVFFPGIBYBR-JTQLQIEISA-N -1 1 329.381 3.925 20 0 EHADMM C[C@H]1COc2ccccc2CN1Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001594607990 986588744 /nfs/dbraw/zinc/58/87/44/986588744.db2.gz PYDLKEYTCGSRFY-HNNXBMFYSA-N -1 1 337.419 3.586 20 0 EHADMM CCOc1ccc2c(c1)CN(Cc1ccc(C)c(C(=O)[O-])c1)CC2 ZINC001597143261 986898795 /nfs/dbraw/zinc/89/87/95/986898795.db2.gz ZDNFJGINRSDNHY-UHFFFAOYSA-N -1 1 325.408 3.650 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC001597767426 989220158 /nfs/dbraw/zinc/22/01/58/989220158.db2.gz MRMNTUPZYQVIFQ-AWEZNQCLSA-N -1 1 347.411 3.798 20 0 EHADMM CCc1oc(CN2CC(Cc3ccc(Cl)cc3)C2)cc1C(=O)[O-] ZINC001597795477 989346760 /nfs/dbraw/zinc/34/67/60/989346760.db2.gz BTJCMSLFOUUCQC-UHFFFAOYSA-N -1 1 333.815 3.868 20 0 EHADMM CN(Cc1cccc(C(=O)[O-])c1)Cc1ccccc1OC(F)(F)F ZINC001598525533 992716074 /nfs/dbraw/zinc/71/60/74/992716074.db2.gz OPHLYSONUNSWSB-UHFFFAOYSA-N -1 1 339.313 3.915 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1csc(C(=O)[O-])c1)[C@H]2C ZINC001599625295 994140272 /nfs/dbraw/zinc/14/02/72/994140272.db2.gz BSNFUWYMSMAWCH-RYUDHWBXSA-N -1 1 331.437 3.963 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1ccccc1)Cc1ccccc1F ZINC000339893563 1015844731 /nfs/dbraw/zinc/84/47/31/1015844731.db2.gz VHHPEVCCERBQBM-UHFFFAOYSA-N -1 1 336.366 3.769 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc2c(c1)CCCO2 ZINC001593296246 994695588 /nfs/dbraw/zinc/69/55/88/994695588.db2.gz KMJRECGDGPJSEE-LBPRGKRZSA-N -1 1 329.371 3.700 20 0 EHADMM COC(=O)c1ccc(-c2noc(-c3cc(SC)ccc3[O-])n2)cc1 ZINC000904560315 1032131395 /nfs/dbraw/zinc/13/13/95/1032131395.db2.gz UIPLYTCCBPRNCG-UHFFFAOYSA-N -1 1 342.376 3.618 20 0 EHADMM Cc1cc(-c2csc(NC(=O)c3cncc([O-])c3)n2)ccc1F ZINC000339915580 1015910782 /nfs/dbraw/zinc/91/07/82/1015910782.db2.gz NDBDZLGFMPVRAG-UHFFFAOYSA-N -1 1 329.356 3.611 20 0 EHADMM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cncc([O-])c1 ZINC000339916721 1015914540 /nfs/dbraw/zinc/91/45/40/1015914540.db2.gz WBUACXSIYYWCMY-SECBINFHSA-N -1 1 337.206 3.854 20 0 EHADMM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC(C)(C)CC(C)(C)C1 ZINC001598715084 995396445 /nfs/dbraw/zinc/39/64/45/995396445.db2.gz ZZAGMBVXTUIVDY-MRXNPFEDSA-N -1 1 347.455 3.747 20 0 EHADMM C[C@H](Oc1ccccc1CN(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001593644790 995966474 /nfs/dbraw/zinc/96/64/74/995966474.db2.gz MYHJVVXWXBEXTI-ZDUSSCGKSA-N -1 1 333.815 3.824 20 0 EHADMM C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccc(C(=O)[O-])o1 ZINC001593678689 996094018 /nfs/dbraw/zinc/09/40/18/996094018.db2.gz XDVPQXMJKVFWMW-MRVPVSSYSA-N -1 1 333.344 3.755 20 0 EHADMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001593694307 996149675 /nfs/dbraw/zinc/14/96/75/996149675.db2.gz WLUMDKDNPCFCRY-XXFPWJFMSA-N -1 1 338.181 3.952 20 0 EHADMM C[C@@H](c1cccs1)N(C)Cc1oc(Br)cc1C(=O)[O-] ZINC001593722801 996253629 /nfs/dbraw/zinc/25/36/29/996253629.db2.gz DJRLMBDCEWOJLK-QMMMGPOBSA-N -1 1 344.230 3.995 20 0 EHADMM COC1([C@H](C)NCc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCC1 ZINC001599084266 997068154 /nfs/dbraw/zinc/06/81/54/997068154.db2.gz RGWMEOOWZHYSEK-LBPRGKRZSA-N -1 1 346.452 3.556 20 0 EHADMM COc1cc(CN(Cc2cc(C(=O)[O-])sc2C)C2CC2)ccc1O ZINC001599406718 997320255 /nfs/dbraw/zinc/32/02/55/997320255.db2.gz NXUWZQSNNKPBPE-UHFFFAOYSA-N -1 1 347.436 3.634 20 0 EHADMM COc1ccc([C@@H](NCc2cccc(F)c2F)C(=O)[O-])cc1Cl ZINC001599531883 997670587 /nfs/dbraw/zinc/67/05/87/997670587.db2.gz PEKOCUNUUDYNFC-OAHLLOKOSA-N -1 1 341.741 3.542 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])cs2)c(OC)c1 ZINC001599539429 997807674 /nfs/dbraw/zinc/80/76/74/997807674.db2.gz KHXYTNGKVHPBNM-MRXNPFEDSA-N -1 1 347.436 3.801 20 0 EHADMM COc1ccc(-c2n[nH]c(SCc3csc(C(=O)[O-])c3)n2)cc1 ZINC001599471432 998457408 /nfs/dbraw/zinc/45/74/08/998457408.db2.gz JEQJILVNRSBQAN-UHFFFAOYSA-N -1 1 347.421 3.532 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)c1 ZINC000340079181 1016223653 /nfs/dbraw/zinc/22/36/53/1016223653.db2.gz GAKWUGIJJAWPML-UHFFFAOYSA-N -1 1 348.449 3.552 20 0 EHADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccccc1 ZINC000109714194 1016238877 /nfs/dbraw/zinc/23/88/77/1016238877.db2.gz LMXRVWIUVCUFRP-QMMMGPOBSA-N -1 1 328.315 3.565 20 0 EHADMM COc1cc(Cl)c(F)c(C(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC001125324635 1016478768 /nfs/dbraw/zinc/47/87/68/1016478768.db2.gz KCMYMVUMQOOIQW-UHFFFAOYSA-N -1 1 337.710 3.529 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1cccs1)Cc1cccs1 ZINC000109042312 1016647591 /nfs/dbraw/zinc/64/75/91/1016647591.db2.gz 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CC(C)Oc1ccc([N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000188603278 1022865655 /nfs/dbraw/zinc/86/56/55/1022865655.db2.gz DUGRIMBDWYOVCW-UHFFFAOYSA-N -1 1 331.846 3.990 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000438719585 1022953608 /nfs/dbraw/zinc/95/36/08/1022953608.db2.gz DBEUPYBJWJQLDF-UHFFFAOYSA-N -1 1 325.817 3.677 20 0 EHADMM Cc1cccc([C@H](NCc2ccccc2Br)C(=O)[O-])c1C ZINC000426714467 1022982009 /nfs/dbraw/zinc/98/20/09/1022982009.db2.gz DALKYLNOXOCKQK-INIZCTEOSA-N -1 1 348.240 3.981 20 0 EHADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000438795414 1023010729 /nfs/dbraw/zinc/01/07/29/1023010729.db2.gz KSBHOWHCLBELPS-UHFFFAOYSA-N -1 1 342.420 3.807 20 0 EHADMM COc1ccc([C@@H]2C[C@H]2Cc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000664850218 1023029153 /nfs/dbraw/zinc/02/91/53/1023029153.db2.gz PFVGIJJSPKCRBM-ZFWWWQNUSA-N -1 1 340.354 3.936 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OCC(F)F)cc2)o1 ZINC000426770926 1023035428 /nfs/dbraw/zinc/03/54/28/1023035428.db2.gz XJWIDEROGBNXEJ-CQSZACIVSA-N -1 1 339.338 3.538 20 0 EHADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000073743409 1023036359 /nfs/dbraw/zinc/03/63/59/1023036359.db2.gz GKJDIEOVUUVFJX-UHFFFAOYSA-N -1 1 339.844 3.638 20 0 EHADMM COc1ccccc1[C@@H](NCc1cccc(OCC(C)C)c1)C(=O)[O-] ZINC000426783702 1023042858 /nfs/dbraw/zinc/04/28/58/1023042858.db2.gz NAKUKUBEXDKOIF-LJQANCHMSA-N -1 1 343.423 3.646 20 0 EHADMM O=C([O-])[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1F ZINC000426788114 1023047975 /nfs/dbraw/zinc/04/79/75/1023047975.db2.gz KKDISOQUJJRCIF-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(F)cc2Cl)c1 ZINC000426791992 1023049700 /nfs/dbraw/zinc/04/97/00/1023049700.db2.gz KQQIAPPBEVTNCM-MRXNPFEDSA-N -1 1 337.778 3.793 20 0 EHADMM COc1ccc([C@@H](NCc2ccc(F)cc2Cl)C(=O)[O-])cc1F ZINC000426820270 1023065275 /nfs/dbraw/zinc/06/52/75/1023065275.db2.gz KUXZCSMFGUXGRJ-OAHLLOKOSA-N -1 1 341.741 3.542 20 0 EHADMM CC(C)c1nc(=NCC2(c3ccccc3Br)CC2)o[n-]1 ZINC000607355405 1033103619 /nfs/dbraw/zinc/10/36/19/1033103619.db2.gz AOTSGJFYHLYFTI-UHFFFAOYSA-N -1 1 336.233 3.521 20 0 EHADMM O=S(=O)([N-]c1ccsc1Cl)c1ccccc1OC(F)F ZINC000189732400 1023095881 /nfs/dbraw/zinc/09/58/81/1023095881.db2.gz NZJDAWCYZAGBCA-UHFFFAOYSA-N -1 1 339.772 3.804 20 0 EHADMM COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000602738774 1033128684 /nfs/dbraw/zinc/12/86/84/1033128684.db2.gz UASWNKCZLNGLSN-LSDHHAIUSA-N -1 1 331.799 3.934 20 0 EHADMM O=C([N-]c1cc(Cl)cc(F)c1F)c1ncoc1[C@@H]1CCCO1 ZINC000441566931 1024091163 /nfs/dbraw/zinc/09/11/63/1024091163.db2.gz ROIVNAZBYKPFJL-JTQLQIEISA-N -1 1 328.702 3.710 20 0 EHADMM CC(C)Oc1ccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000417643619 1024238926 /nfs/dbraw/zinc/23/89/26/1024238926.db2.gz CYFSPSLYTWPTCM-UHFFFAOYSA-N -1 1 335.350 3.740 20 0 EHADMM Cc1cc(C)cc(C[C@@H](NCc2cnc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000277245721 1024316555 /nfs/dbraw/zinc/31/65/55/1024316555.db2.gz JNXNONTWVCLOTF-MRXNPFEDSA-N -1 1 346.496 3.843 20 0 EHADMM Cc1ccc(-c2noc([C@H](C)Sc3ncc(C)c(=O)[n-]3)n2)cc1F ZINC000657261547 1024406932 /nfs/dbraw/zinc/40/69/32/1024406932.db2.gz CTRCIRVHORRHKI-JTQLQIEISA-N -1 1 346.387 3.841 20 0 EHADMM CCc1nc(SCc2ncccc2C(F)(F)F)[n-]c(=O)c1C ZINC000657263754 1024424450 /nfs/dbraw/zinc/42/44/50/1024424450.db2.gz CGSBEYWARXFALO-UHFFFAOYSA-N -1 1 329.347 3.759 20 0 EHADMM COc1ccc(-c2nc(Cc3ccc(F)cc3Cl)no2)c([O-])c1 ZINC000320534861 1024436896 /nfs/dbraw/zinc/43/68/96/1024436896.db2.gz CPNIPAYAOWSSFK-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(CC)c2ccccc2)n1 ZINC000011443528 1024438281 /nfs/dbraw/zinc/43/82/81/1024438281.db2.gz MAGXKMGXVJAXKK-CYBMUJFWSA-N -1 1 345.468 3.668 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000434968201 1024529686 /nfs/dbraw/zinc/52/96/86/1024529686.db2.gz KWBVFQZLRZJZJV-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=O)c2)c([O-])c1 ZINC000729526181 1024588599 /nfs/dbraw/zinc/58/85/99/1024588599.db2.gz ZCEYTHFIXXBONV-UHFFFAOYSA-N -1 1 337.379 3.659 20 0 EHADMM O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cncc([O-])c1 ZINC000346437437 1024732844 /nfs/dbraw/zinc/73/28/44/1024732844.db2.gz OJMKTNSSTSCYSX-UHFFFAOYSA-N -1 1 341.754 3.880 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000346423364 1024751296 /nfs/dbraw/zinc/75/12/96/1024751296.db2.gz CAGNZSLMLMNLQE-UHFFFAOYSA-N -1 1 332.350 3.650 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)CCCC(F)(F)F)cc(Cl)c1[O-] ZINC000427796667 1024786880 /nfs/dbraw/zinc/78/68/80/1024786880.db2.gz KKZBXGMYRYGRHI-QMMMGPOBSA-N -1 1 339.741 3.905 20 0 EHADMM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1c(F)ccc([O-])c1F ZINC000281275280 1024834384 /nfs/dbraw/zinc/83/43/84/1024834384.db2.gz PXKGCCPNKIRHDE-LBPRGKRZSA-N -1 1 347.361 3.529 20 0 EHADMM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435438596 1024926651 /nfs/dbraw/zinc/92/66/51/1024926651.db2.gz QLYIPRMKSFPWRA-ZETCQYMHSA-N -1 1 326.220 3.599 20 0 EHADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435442669 1024930610 /nfs/dbraw/zinc/93/06/10/1024930610.db2.gz MBNXQCFTEAHHJX-CBAPKCEASA-N -1 1 326.220 3.599 20 0 EHADMM Cc1cccc2nc(CCC(=O)Nc3cc(F)cc(Cl)c3[O-])[nH]c21 ZINC000474442489 1024988695 /nfs/dbraw/zinc/98/86/95/1024988695.db2.gz XRTJKWMTZFEFLI-UHFFFAOYSA-N -1 1 347.777 3.941 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1 ZINC000071975934 1025057928 /nfs/dbraw/zinc/05/79/28/1025057928.db2.gz AOPGDXDHIMIVIG-UHFFFAOYSA-N -1 1 341.436 3.626 20 0 EHADMM CN(CCCOc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000515306134 1025149933 /nfs/dbraw/zinc/14/99/33/1025149933.db2.gz VYKAMIXDDASJDG-UHFFFAOYSA-N -1 1 333.815 3.939 20 0 EHADMM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896220143 1025241382 /nfs/dbraw/zinc/24/13/82/1025241382.db2.gz AXKUOMVKTGHXAQ-INIZCTEOSA-N -1 1 343.423 3.672 20 0 EHADMM O=C(c1cc([O-])ccc1Cl)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000346875986 1025271757 /nfs/dbraw/zinc/27/17/57/1025271757.db2.gz BAEXWBQYNQMIII-JTQLQIEISA-N -1 1 327.767 3.766 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000436029209 1025312418 /nfs/dbraw/zinc/31/24/18/1025312418.db2.gz WVYSFLDEKFRVQJ-UHFFFAOYSA-N -1 1 349.477 3.998 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1ccn(C)n1 ZINC000843605649 1025372645 /nfs/dbraw/zinc/37/26/45/1025372645.db2.gz PMPDBKOXPMHHFC-MRVPVSSYSA-N -1 1 348.180 3.696 20 0 EHADMM CCc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000121773578 1025388722 /nfs/dbraw/zinc/38/87/22/1025388722.db2.gz CKPMCYHNIYZNNE-AWEZNQCLSA-N -1 1 349.415 3.820 20 0 EHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000436168203 1025430964 /nfs/dbraw/zinc/43/09/64/1025430964.db2.gz DBZNBBRFHXHSJM-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000436171063 1025433186 /nfs/dbraw/zinc/43/31/86/1025433186.db2.gz CDCYOJLZWIZSKO-GFCCVEGCSA-N -1 1 342.420 3.601 20 0 EHADMM COc1cc(C(=O)N(C)CCCc2ccccc2)cc(Cl)c1[O-] ZINC000442850962 1025521554 /nfs/dbraw/zinc/52/15/54/1025521554.db2.gz DDMUZLIFXSSPQQ-UHFFFAOYSA-N -1 1 333.815 3.759 20 0 EHADMM Cc1ccc2nc(Cc3cccc(Br)c3[O-])[nH]c(=O)c2c1 ZINC000443060015 1025676363 /nfs/dbraw/zinc/67/63/63/1025676363.db2.gz QSWGXEIYJHQAGZ-UHFFFAOYSA-N -1 1 345.196 3.703 20 0 EHADMM COc1cc(C(=O)N2CCC[C@@H](CC(C)C)C2)cc(Cl)c1[O-] ZINC000443051071 1025691618 /nfs/dbraw/zinc/69/16/18/1025691618.db2.gz NYQJGJDJCUQUPL-LBPRGKRZSA-N -1 1 325.836 3.953 20 0 EHADMM C[C@@H](OCC(F)(F)F)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000896613951 1025712081 /nfs/dbraw/zinc/71/20/81/1025712081.db2.gz AKLLJBOLBCJOBI-SSDOTTSWSA-N -1 1 336.697 3.659 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)c1 ZINC000436476469 1025771896 /nfs/dbraw/zinc/77/18/96/1025771896.db2.gz FTTDUMUTPCLBPK-UHFFFAOYSA-N -1 1 331.315 3.520 20 0 EHADMM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc([O-])cc1F ZINC000436496974 1025782487 /nfs/dbraw/zinc/78/24/87/1025782487.db2.gz RQTSPFHHXLNCNR-UHFFFAOYSA-N -1 1 347.239 3.864 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2ccccc2Cl)c1 ZINC000436502979 1025796275 /nfs/dbraw/zinc/79/62/75/1025796275.db2.gz FCUDXBXPDTYBMG-UHFFFAOYSA-N -1 1 347.798 3.749 20 0 EHADMM COc1cc(-c2nc(Cc3ccccc3F)no2)cc(Cl)c1[O-] ZINC000443204459 1025809055 /nfs/dbraw/zinc/80/90/55/1025809055.db2.gz PFZYFQYHTUJRDX-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM C[C@@H]1SCCN(C(=O)c2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000436533598 1025841543 /nfs/dbraw/zinc/84/15/43/1025841543.db2.gz GOVQCBBOVBMPNJ-YVEFUNNKSA-N -1 1 331.412 3.850 20 0 EHADMM CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000436546935 1025847940 /nfs/dbraw/zinc/84/79/40/1025847940.db2.gz HWTPIKICZBLXCC-ZDUSSCGKSA-N -1 1 344.842 3.508 20 0 EHADMM C[S@@](=O)Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436542424 1025876945 /nfs/dbraw/zinc/87/69/45/1025876945.db2.gz BXBNKEUHHLFZGS-XMMPIXPASA-N -1 1 339.416 3.676 20 0 EHADMM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1ccc2ccccc2c1[O-] ZINC000436577518 1025880676 /nfs/dbraw/zinc/88/06/76/1025880676.db2.gz USLSRPWKVZMGQJ-UHFFFAOYSA-N -1 1 349.365 3.533 20 0 EHADMM CCO[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C1(C)C ZINC000436562797 1025889203 /nfs/dbraw/zinc/88/92/03/1025889203.db2.gz OESYICPBTPQINH-ROUUACIJSA-N -1 1 327.424 3.821 20 0 EHADMM COc1ccc2occ(C(=O)N=c3cc(-c4cccs4)[n-][nH]3)c2c1 ZINC000443303837 1025894758 /nfs/dbraw/zinc/89/47/58/1025894758.db2.gz BCDSGUJNNXCIOE-UHFFFAOYSA-N -1 1 339.376 3.567 20 0 EHADMM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc(F)ccc1[O-] ZINC000436571541 1025903428 /nfs/dbraw/zinc/90/34/28/1025903428.db2.gz WASUVQZJCZYNDS-UHFFFAOYSA-N -1 1 349.268 3.771 20 0 EHADMM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cc2ccccc2cc1[O-] ZINC000436574731 1025904290 /nfs/dbraw/zinc/90/42/90/1025904290.db2.gz LWYZLGVPMWYGLU-UHFFFAOYSA-N -1 1 349.365 3.533 20 0 EHADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436589028 1025926731 /nfs/dbraw/zinc/92/67/31/1025926731.db2.gz JKKLOGMWAXDBGT-MNOVXSKESA-N -1 1 326.234 3.805 20 0 EHADMM Cc1ccc(-c2noc(CSc3nc(C4CC4)cc(=O)[n-]3)n2)cc1 ZINC000522058079 1025927816 /nfs/dbraw/zinc/92/78/16/1025927816.db2.gz DZXJPHCEVRHSIM-UHFFFAOYSA-N -1 1 340.408 3.710 20 0 EHADMM CC(C)[C@@H]1C[C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436628842 1025957675 /nfs/dbraw/zinc/95/76/75/1025957675.db2.gz JCLKACITPBOJPV-KXBFYZLASA-N -1 1 337.419 3.618 20 0 EHADMM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1cc2ccccc2cc1[O-] ZINC000436620771 1025972944 /nfs/dbraw/zinc/97/29/44/1025972944.db2.gz WQXFXAZDUWQAPH-UHFFFAOYSA-N -1 1 343.423 3.738 20 0 EHADMM CC(C)(C)c1csc(CCNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000436671368 1026014218 /nfs/dbraw/zinc/01/42/18/1026014218.db2.gz KOEJRSTXWXHDSC-UHFFFAOYSA-N -1 1 338.860 3.772 20 0 EHADMM O=C(NCc1ccn(-c2ccccc2)n1)c1ccc2ccccc2c1[O-] ZINC000436685201 1026040152 /nfs/dbraw/zinc/04/01/52/1026040152.db2.gz KVPDDUBWCCJKPS-UHFFFAOYSA-N -1 1 343.386 3.661 20 0 EHADMM Cn1ccc2ccc(NC(=O)c3cc4ccccc4cc3[O-])cc2c1=O ZINC000436731422 1026122531 /nfs/dbraw/zinc/12/25/31/1026122531.db2.gz 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CC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1nc(C)cs1 ZINC000187159968 1043876264 /nfs/dbraw/zinc/87/62/64/1043876264.db2.gz MDQCDKBZUITZQX-NSHDSACASA-N -1 1 342.511 3.603 20 0 EHADMM CCOc1cccc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000153689119 1125648702 /nfs/dbraw/zinc/64/87/02/1125648702.db2.gz ULOAUYCGFNHFAR-LLVKDONJSA-N -1 1 349.814 3.944 20 0 EHADMM COc1cc(C(=O)NCC2(c3ccccc3C)CC2)cc(Cl)c1[O-] ZINC000153728104 1125653940 /nfs/dbraw/zinc/65/39/40/1125653940.db2.gz WLXCNBPOQDFVBO-UHFFFAOYSA-N -1 1 345.826 3.824 20 0 EHADMM C[C@@](CO)(NC(=O)c1cc2ccccc2cc1[O-])C1CCCCC1 ZINC000622511021 1126713027 /nfs/dbraw/zinc/71/30/27/1126713027.db2.gz UKQJSCYZWRDQNZ-FQEVSTJZSA-N -1 1 327.424 3.607 20 0 EHADMM Cc1cc(CCNC(=O)c2cc3ccccc3cc2[O-])cc(C)c1O ZINC000622548202 1126720298 /nfs/dbraw/zinc/72/02/98/1126720298.db2.gz UIFCXYHQPUGMDI-UHFFFAOYSA-N -1 1 335.403 3.840 20 0 EHADMM Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)c1cncc([O-])c1 ZINC000622719732 1126750015 /nfs/dbraw/zinc/75/00/15/1126750015.db2.gz 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CN(CCc1ccccc1F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001687489507 1128781927 /nfs/dbraw/zinc/78/19/27/1128781927.db2.gz GNNRWPRWFHLRGR-UHFFFAOYSA-N -1 1 336.794 3.569 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc(F)c2O)cc(Cl)c1[O-] ZINC001648847776 1120053484 /nfs/dbraw/zinc/05/34/84/1120053484.db2.gz UVFWYLLXAZTMHH-UHFFFAOYSA-N -1 1 325.723 3.541 20 0 EHADMM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cccc(F)c1[O-] ZINC001648850557 1120054639 /nfs/dbraw/zinc/05/46/39/1120054639.db2.gz IBXBFZABXGLOAQ-UHFFFAOYSA-N -1 1 327.359 3.615 20 0 EHADMM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001670556964 1120085856 /nfs/dbraw/zinc/08/58/56/1120085856.db2.gz CSMRSZOQFWSJQZ-UHFFFAOYSA-N -1 1 346.226 3.953 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1c[nH]c2cccc(F)c21 ZINC000185239442 1120405501 /nfs/dbraw/zinc/40/55/01/1120405501.db2.gz FKHHDBLCXIAFQJ-UHFFFAOYSA-N -1 1 344.289 3.525 20 0 EHADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000187169394 1120488070 /nfs/dbraw/zinc/48/80/70/1120488070.db2.gz GOJNGQMLEWLHKE-UHFFFAOYSA-N -1 1 348.424 3.789 20 0 EHADMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000494367837 1120540383 /nfs/dbraw/zinc/54/03/83/1120540383.db2.gz KZVZAICTFQPUGX-SSDOTTSWSA-N -1 1 349.296 3.503 20 0 EHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)nc1 ZINC000190982183 1120657381 /nfs/dbraw/zinc/65/73/81/1120657381.db2.gz FKWMIOOMOVFELJ-UHFFFAOYSA-N -1 1 345.468 3.606 20 0 EHADMM Cc1cccc([C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(C)(C)C)c1 ZINC000494837265 1120880950 /nfs/dbraw/zinc/88/09/50/1120880950.db2.gz WVJUTMYRJPFLTG-KRWDZBQOSA-N -1 1 349.434 3.749 20 0 EHADMM CN(C(=O)c1csc(=NC2CC2)[n-]1)C1CCC(C(C)(C)C)CC1 ZINC000495169206 1120974598 /nfs/dbraw/zinc/97/45/98/1120974598.db2.gz SOURWIQLDHJBBJ-UHFFFAOYSA-N -1 1 335.517 3.816 20 0 EHADMM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000495270716 1121030914 /nfs/dbraw/zinc/03/09/14/1121030914.db2.gz ASUNKYMQTSOLPD-CQSZACIVSA-N -1 1 335.407 3.908 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)[nH]n1 ZINC000322423924 1121648770 /nfs/dbraw/zinc/64/87/70/1121648770.db2.gz WIVAUMOUMMEARF-UHFFFAOYSA-N -1 1 347.362 3.527 20 0 EHADMM O=S1(=O)C=Cc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cc21 ZINC001214490382 1129001993 /nfs/dbraw/zinc/00/19/93/1129001993.db2.gz VMQLFGQDIDFGHY-UHFFFAOYSA-N -1 1 325.748 3.686 20 0 EHADMM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccccc1[O-] ZINC000124296765 1122280727 /nfs/dbraw/zinc/28/07/27/1122280727.db2.gz QIDRWWJQZNJOCQ-UHFFFAOYSA-N -1 1 338.407 3.625 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3ccccc3)s2)n1 ZINC000125222159 1122308869 /nfs/dbraw/zinc/30/88/69/1122308869.db2.gz OEIUDXPHKSQQNY-UHFFFAOYSA-N -1 1 344.465 3.946 20 0 EHADMM O=S(=O)([N-]c1ccccc1F)c1cc(Br)ccc1F ZINC000125536856 1122319925 /nfs/dbraw/zinc/31/99/25/1122319925.db2.gz GNIZVVOAICIAFF-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)o1 ZINC000066814829 1122485178 /nfs/dbraw/zinc/48/51/78/1122485178.db2.gz GCOAUEWDXIFZAP-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM O=C(Nc1cccc(-n2cccn2)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670414129 1122691452 /nfs/dbraw/zinc/69/14/52/1122691452.db2.gz FAAWIQAJRBVPCM-UHFFFAOYSA-N -1 1 347.296 3.849 20 0 EHADMM Cc1ccc2nc(-c3cc(F)ccc3Br)[n-]c(=O)c2c1 ZINC000069579237 1122796243 /nfs/dbraw/zinc/79/62/43/1122796243.db2.gz XWZDWRRYMIMJBQ-UHFFFAOYSA-N -1 1 333.160 3.800 20 0 EHADMM Cc1cncc(CCC(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000498217504 1122798069 /nfs/dbraw/zinc/79/80/69/1122798069.db2.gz WTJFHWMKGCKOMZ-UHFFFAOYSA-N -1 1 349.228 3.738 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000129569293 1122802663 /nfs/dbraw/zinc/80/26/63/1122802663.db2.gz HESCHJQEHXXBIP-UHFFFAOYSA-N -1 1 340.766 3.653 20 0 EHADMM COCc1ccccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000129751720 1122844243 /nfs/dbraw/zinc/84/42/43/1122844243.db2.gz DQGVVTADYQZBBK-UHFFFAOYSA-N -1 1 336.185 3.553 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001212480993 1129085861 /nfs/dbraw/zinc/08/58/61/1129085861.db2.gz UGMLWCZDPKISKA-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC001212480737 1129086585 /nfs/dbraw/zinc/08/65/85/1129086585.db2.gz GHCRVUAAPVFAOY-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM Cc1ccc(-c2cc(C(=O)OCc3cc(-c4ccco4)on3)[nH]n2)o1 ZINC000919328307 1123022778 /nfs/dbraw/zinc/02/27/78/1123022778.db2.gz BDJMOMVHSPRQHF-UHFFFAOYSA-N -1 1 339.307 3.583 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1F ZINC000071976060 1123030618 /nfs/dbraw/zinc/03/06/18/1123030618.db2.gz POCQEVOMBCMFJZ-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001649036141 1123357174 /nfs/dbraw/zinc/35/71/74/1123357174.db2.gz ZMBCQBDBFHHCPH-VCDKRKBESA-N -1 1 330.815 3.616 20 0 EHADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075504445 1123399109 /nfs/dbraw/zinc/39/91/09/1123399109.db2.gz TVGDQICOKUFZLH-INIZCTEOSA-N -1 1 349.434 3.737 20 0 EHADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cc(F)c(F)cc1F ZINC000133830256 1123443453 /nfs/dbraw/zinc/44/34/53/1123443453.db2.gz OAIUWOOYYSXICC-UHFFFAOYSA-N -1 1 349.337 3.799 20 0 EHADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc2c(c1)CCC2 ZINC000078309032 1123617982 /nfs/dbraw/zinc/61/79/82/1123617982.db2.gz ZCHROUVGYXVUIM-UHFFFAOYSA-N -1 1 342.464 3.576 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cc(F)ccc1Cl ZINC000499643647 1129141719 /nfs/dbraw/zinc/14/17/19/1129141719.db2.gz QQVZNYFKJKKRCT-VIFPVBQESA-N -1 1 341.782 3.583 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc1 ZINC000180274194 1123975361 /nfs/dbraw/zinc/97/53/61/1123975361.db2.gz VJZZJAGPZDZSKA-UHFFFAOYSA-N -1 1 349.264 3.911 20 0 EHADMM C[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CC2(CCCCC2)O1 ZINC000616720626 1124023442 /nfs/dbraw/zinc/02/34/42/1124023442.db2.gz QIXDWCQWVJMLDV-AWEZNQCLSA-N -1 1 340.423 3.504 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(OCC(C)C)cc2)c1 ZINC001212285829 1124031662 /nfs/dbraw/zinc/03/16/62/1124031662.db2.gz RJXWDRKTDQHRRW-UHFFFAOYSA-N -1 1 349.452 3.964 20 0 EHADMM Cc1cn2nc([N-]c3cnn(Cc4ccc(Cl)cc4)c3)sc2n1 ZINC000078558469 1129163064 /nfs/dbraw/zinc/16/30/64/1129163064.db2.gz BRXATADYFCDRTQ-UHFFFAOYSA-N -1 1 344.831 3.741 20 0 EHADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000180742778 1124061309 /nfs/dbraw/zinc/06/13/09/1124061309.db2.gz RQLANOXZNUCGGO-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CCCOc1cccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000617367428 1124501693 /nfs/dbraw/zinc/50/16/93/1124501693.db2.gz ZVGHDPMNRBMXRE-UHFFFAOYSA-N -1 1 327.409 3.601 20 0 EHADMM C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)c1cncc([O-])c1 ZINC000617516612 1124621978 /nfs/dbraw/zinc/62/19/78/1124621978.db2.gz ZLDJQZGURSQGRZ-GOSISDBHSA-N -1 1 330.815 3.678 20 0 EHADMM O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1ncccc1[O-] ZINC000619127213 1125285281 /nfs/dbraw/zinc/28/52/81/1125285281.db2.gz VCWAXOULAADJEB-UHFFFAOYSA-N -1 1 344.255 3.571 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c(Cl)c1 ZINC000079268845 1129253103 /nfs/dbraw/zinc/25/31/03/1129253103.db2.gz USZVHGKVMPWQOB-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000543164835 1129304231 /nfs/dbraw/zinc/30/42/31/1129304231.db2.gz YAAVSMMFVULHEM-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM CC(C)(CNC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000499727737 1129422739 /nfs/dbraw/zinc/42/27/39/1129422739.db2.gz FORIFBSWOJEZLN-UHFFFAOYSA-N -1 1 348.240 3.862 20 0 EHADMM Cc1nc(SCC(=O)c2ccc(Cl)cc2)[n-]c(=O)c1C1CC1 ZINC000631025615 1129454836 /nfs/dbraw/zinc/45/48/36/1129454836.db2.gz WCFRKEWEADEQFS-UHFFFAOYSA-N -1 1 334.828 3.996 20 0 EHADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000466476623 1129481084 /nfs/dbraw/zinc/48/10/84/1129481084.db2.gz ZOCMEGCVIGXCBR-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM CC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2[O-])CC1 ZINC000125053787 1129657082 /nfs/dbraw/zinc/65/70/82/1129657082.db2.gz AULSKQICOGHHEC-UHFFFAOYSA-N -1 1 338.407 3.517 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)c(F)c1F ZINC000625118390 1129737194 /nfs/dbraw/zinc/73/71/94/1129737194.db2.gz JQPSDGGXEZNZRO-UHFFFAOYSA-N -1 1 339.354 3.520 20 0 EHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000171013654 1129997594 /nfs/dbraw/zinc/99/75/94/1129997594.db2.gz XIYGKLOMBATTKL-NSHDSACASA-N -1 1 325.455 3.873 20 0 EHADMM CC(=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(F)c1 ZINC000732268797 1130908158 /nfs/dbraw/zinc/90/81/58/1130908158.db2.gz BUFLNZRSHUFCSY-XFXZXTDPSA-N -1 1 337.354 3.963 20 0 EHADMM CCc1nnc([C@@H](C)OC(=O)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000732341387 1130916144 /nfs/dbraw/zinc/91/61/44/1130916144.db2.gz JTHHTTVGFRNLAP-ZCFIWIBFSA-N -1 1 331.155 3.562 20 0 EHADMM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000176948874 1131154749 /nfs/dbraw/zinc/15/47/49/1131154749.db2.gz IZGGDUULSUTCER-UHFFFAOYSA-N -1 1 327.277 3.822 20 0 EHADMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)CC2 ZINC000828197363 1131426413 /nfs/dbraw/zinc/42/64/13/1131426413.db2.gz FPJDWMHTPRCZKO-KRWDZBQOSA-N -1 1 337.423 3.600 20 0 EHADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000736802524 1131435110 /nfs/dbraw/zinc/43/51/10/1131435110.db2.gz IXFCPUUVPITYPE-UHFFFAOYSA-N -1 1 344.672 3.503 20 0 EHADMM Cc1cc(F)c(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1F ZINC001212689498 1131900222 /nfs/dbraw/zinc/90/02/22/1131900222.db2.gz HRKIZYJJBRCVKU-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1cc(F)c(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1F ZINC001212689498 1131900228 /nfs/dbraw/zinc/90/02/28/1131900228.db2.gz HRKIZYJJBRCVKU-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)nc3ccccc32)c1 ZINC000744457037 1132103617 /nfs/dbraw/zinc/10/36/17/1132103617.db2.gz MAMSEWHCXVGVOO-UHFFFAOYSA-N -1 1 349.386 3.851 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc3ccccc3n2)c1 ZINC000744479694 1132107763 /nfs/dbraw/zinc/10/77/63/1132107763.db2.gz OQUYURHSJNGUSW-UHFFFAOYSA-N -1 1 335.359 3.543 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2ccc(C)c(C)c2)c1 ZINC000744498771 1132112498 /nfs/dbraw/zinc/11/24/98/1132112498.db2.gz CZULKTOTSASMPJ-UHFFFAOYSA-N -1 1 326.392 3.540 20 0 EHADMM O=C(c1cccc(Nc2ccnc(Cl)c2[O-])c1)N1CCCCC1 ZINC001174177031 1132269819 /nfs/dbraw/zinc/26/98/19/1132269819.db2.gz REFDIZHJNZGNMJ-UHFFFAOYSA-N -1 1 331.803 3.810 20 0 EHADMM O=C(NC1CCCC1)c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001174194981 1132277614 /nfs/dbraw/zinc/27/76/14/1132277614.db2.gz PUHZNXFVFKPQPF-UHFFFAOYSA-N -1 1 338.367 3.746 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000187068897 1132427984 /nfs/dbraw/zinc/42/79/84/1132427984.db2.gz HQJSYSYFUIDUFO-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM CCCCc1ccc(-c2noc(-c3[n-]cnc3C(=O)OCC)n2)cc1 ZINC001212766888 1132489946 /nfs/dbraw/zinc/48/99/46/1132489946.db2.gz DIIUWEAIQZWQKQ-UHFFFAOYSA-N -1 1 340.383 3.646 20 0 EHADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168915503 1132604568 /nfs/dbraw/zinc/60/45/68/1132604568.db2.gz XSUIWYXRGOHGIL-ZDUSSCGKSA-N -1 1 339.370 3.534 20 0 EHADMM O=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168915542 1132605465 /nfs/dbraw/zinc/60/54/65/1132605465.db2.gz XXLXZMAIGVSOAK-UHFFFAOYSA-N -1 1 345.761 3.552 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001168921576 1132606044 /nfs/dbraw/zinc/60/60/44/1132606044.db2.gz DKELUNHNVKFFAX-IAGOWNOFSA-N -1 1 325.412 3.733 20 0 EHADMM O=C(NCc1noc2cc(F)ccc21)c1cc2ccccc2cc1[O-] ZINC001175426274 1132665274 /nfs/dbraw/zinc/66/52/74/1132665274.db2.gz FTGIGHHLQYWYAH-UHFFFAOYSA-N -1 1 336.322 3.756 20 0 EHADMM Cn1cc2cccc(Nc3ccc(F)c(Br)c3[O-])c2n1 ZINC001175463838 1132673773 /nfs/dbraw/zinc/67/37/73/1132673773.db2.gz XHRDWNRGWHUCAH-UHFFFAOYSA-N -1 1 336.164 3.924 20 0 EHADMM O=C(CCc1ncc(-c2ccccc2Cl)o1)[N-]OCC(F)(F)F ZINC000766769429 1132803769 /nfs/dbraw/zinc/80/37/69/1132803769.db2.gz SXVQPABJZFBKQW-UHFFFAOYSA-N -1 1 348.708 3.538 20 0 EHADMM C[C@H]1CCC[C@H](OCCCCCC(=O)[N-]OCC(F)(F)F)C1 ZINC000766828692 1132856167 /nfs/dbraw/zinc/85/61/67/1132856167.db2.gz XYPOSDKJJSKCBL-STQMWFEESA-N -1 1 325.371 3.752 20 0 EHADMM O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc([O-])cc1F ZINC000773564771 1132894679 /nfs/dbraw/zinc/89/46/79/1132894679.db2.gz GZOPSFDRPUOZFG-UHFFFAOYSA-N -1 1 331.274 3.682 20 0 EHADMM CC(=O)OCc1cccc(C)c1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001212774347 1132901412 /nfs/dbraw/zinc/90/14/12/1132901412.db2.gz NURRUDUVPRIOSC-UHFFFAOYSA-N -1 1 337.379 3.693 20 0 EHADMM CCOC(=O)c1cc(Cl)cnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664160 1132978904 /nfs/dbraw/zinc/97/89/04/1132978904.db2.gz MOUPDNMQTRPJCF-UHFFFAOYSA-N -1 1 346.692 3.778 20 0 EHADMM COC(=O)c1c(C)ccc(Nc2c(F)cc(F)c([O-])c2F)c1F ZINC001176672033 1132979835 /nfs/dbraw/zinc/97/98/35/1132979835.db2.gz GPJKFTQTEILNSX-UHFFFAOYSA-N -1 1 329.249 3.787 20 0 EHADMM CCOC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176674304 1132980332 /nfs/dbraw/zinc/98/03/32/1132980332.db2.gz UIGKWHDYCYMSKH-UHFFFAOYSA-N -1 1 329.249 3.869 20 0 EHADMM COc1ccc(-c2ncc(C(=O)[N-]c3c(F)ccnc3F)s2)cc1 ZINC001129367715 1133008910 /nfs/dbraw/zinc/00/89/10/1133008910.db2.gz XQGFZKVQNBCGNP-UHFFFAOYSA-N -1 1 347.346 3.744 20 0 EHADMM O=C(CCCOc1ccccc1F)NCc1ccc([O-])c(Cl)c1 ZINC001176988551 1133018231 /nfs/dbraw/zinc/01/82/31/1133018231.db2.gz NUUKXIIATMMBKB-UHFFFAOYSA-N -1 1 337.778 3.660 20 0 EHADMM O=C(CCCCc1cccs1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001177490440 1133070039 /nfs/dbraw/zinc/07/00/39/1133070039.db2.gz PKCPUHUGNCTBPG-UHFFFAOYSA-N -1 1 341.436 3.991 20 0 EHADMM CCCCCC[C@](C)(NC(=O)c1ccc([O-])c(F)c1)C(=O)OCC ZINC000767980201 1133075893 /nfs/dbraw/zinc/07/58/93/1133075893.db2.gz CIAHVTTYLJYORT-SFHVURJKSA-N -1 1 339.407 3.553 20 0 EHADMM CN(C)c1cc(NC(=O)c2cc(F)ccc2[O-])cc(C(F)(F)F)c1 ZINC001178630888 1133187641 /nfs/dbraw/zinc/18/76/41/1133187641.db2.gz GRTGEDJJIUFEJT-UHFFFAOYSA-N -1 1 342.292 3.868 20 0 EHADMM Cc1cccc2cc(C(=O)NCCc3c(F)cc([O-])cc3F)oc21 ZINC001178785192 1133198775 /nfs/dbraw/zinc/19/87/75/1133198775.db2.gz PGMSXNMDFBDNGE-UHFFFAOYSA-N -1 1 331.318 3.698 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H](O)c1cccc(F)c1 ZINC000770037782 1133380602 /nfs/dbraw/zinc/38/06/02/1133380602.db2.gz CJSBFMRLCVIXNM-XIKOKIGWSA-N -1 1 339.366 3.536 20 0 EHADMM COc1cc(CN(C(=O)c2c([O-])cccc2Cl)C2CC2)ccc1O ZINC000770035596 1133381008 /nfs/dbraw/zinc/38/10/08/1133381008.db2.gz QKBAAMGELWXRRW-UHFFFAOYSA-N -1 1 347.798 3.565 20 0 EHADMM O=C(Nc1nc2c(o1)CCCC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC001180588800 1133396804 /nfs/dbraw/zinc/39/68/04/1133396804.db2.gz HKWLGKNUTDPXDE-UHFFFAOYSA-N -1 1 326.274 3.530 20 0 EHADMM CCOc1ccccc1N(C)Cc1ncc(Br)cc1[O-] ZINC001180896333 1133432747 /nfs/dbraw/zinc/43/27/47/1133432747.db2.gz CXORKCSTCSRIRX-UHFFFAOYSA-N -1 1 337.217 3.585 20 0 EHADMM [O-]c1ccc(-c2noc(COc3ccc4c(c3)CCC4)n2)cc1F ZINC000771222776 1133529135 /nfs/dbraw/zinc/52/91/35/1133529135.db2.gz IKSXSYMMGHPQRY-UHFFFAOYSA-N -1 1 326.327 3.649 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])c1cc2ccccc2o1 ZINC000771574281 1133573034 /nfs/dbraw/zinc/57/30/34/1133573034.db2.gz SLVPNPFUPLZZDI-UHFFFAOYSA-N -1 1 333.141 3.548 20 0 EHADMM C[C@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)c2ccccc21 ZINC000774089563 1133600880 /nfs/dbraw/zinc/60/08/80/1133600880.db2.gz NKSDMFFEVPTGCO-LBPRGKRZSA-N -1 1 338.436 3.562 20 0 EHADMM COc1ccc(Cl)cc1CSCCC[N-]C(=O)C(F)(F)F ZINC000774678799 1133852003 /nfs/dbraw/zinc/85/20/03/1133852003.db2.gz BIGURRIIMBLFIG-UHFFFAOYSA-N -1 1 341.782 3.650 20 0 EHADMM O=C(Nc1cccc(C2OCCO2)c1)c1cc2ccccc2cc1[O-] ZINC000788207910 1134094267 /nfs/dbraw/zinc/09/42/67/1134094267.db2.gz JXAJMXIJDSWJKL-UHFFFAOYSA-N -1 1 335.359 3.843 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)ccc1Cl ZINC001185524483 1134102835 /nfs/dbraw/zinc/10/28/35/1134102835.db2.gz FXNAXRRNQHWTAS-UHFFFAOYSA-N -1 1 335.812 3.578 20 0 EHADMM COc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185525334 1134103117 /nfs/dbraw/zinc/10/31/17/1134103117.db2.gz YBFJNQBWKIIGBH-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185530120 1134104688 /nfs/dbraw/zinc/10/46/88/1134104688.db2.gz UARISHMXCPPPHH-UHFFFAOYSA-N -1 1 337.828 3.960 20 0 EHADMM O=C(Nc1ccc(Oc2cc[nH]c(=O)c2)cc1)c1ccc([O-])c(F)c1 ZINC001186227205 1134182643 /nfs/dbraw/zinc/18/26/43/1134182643.db2.gz YMASJQVTGKWJNR-UHFFFAOYSA-N -1 1 340.310 3.677 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC(n2ccc3ccccc32)CC1 ZINC001186218262 1134188478 /nfs/dbraw/zinc/18/84/78/1134188478.db2.gz BSCLJKFMSXMWGL-UHFFFAOYSA-N -1 1 338.382 3.963 20 0 EHADMM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC001187155778 1134304437 /nfs/dbraw/zinc/30/44/37/1134304437.db2.gz GYXYFLSMYXXJFE-UHFFFAOYSA-N -1 1 329.874 3.539 20 0 EHADMM O=C(CCCc1c[nH]c2ccccc12)Nc1nc(Cl)ccc1[O-] ZINC000789931276 1134346141 /nfs/dbraw/zinc/34/61/41/1134346141.db2.gz GBGMNEIPRHUJRK-UHFFFAOYSA-N -1 1 329.787 3.883 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1c[nH]cc1-c1ccccc1F ZINC000790048742 1134364292 /nfs/dbraw/zinc/36/42/92/1134364292.db2.gz UHBCNQWSALXQSG-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047246 1134364637 /nfs/dbraw/zinc/36/46/37/1134364637.db2.gz HZDXTENNXHFNPQ-UHFFFAOYSA-N -1 1 329.743 3.656 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)cc1OC(F)(F)F)C1CCC1 ZINC001188137465 1134432061 /nfs/dbraw/zinc/43/20/61/1134432061.db2.gz QWNGDGFNYWTJJQ-UHFFFAOYSA-N -1 1 329.727 3.533 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])c1ccccc1C(F)F ZINC001188267730 1134448973 /nfs/dbraw/zinc/44/89/73/1134448973.db2.gz SZORNIFDHULYLL-UHFFFAOYSA-N -1 1 343.127 3.740 20 0 EHADMM Cc1cc(OC(F)F)ccc1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188287503 1134451078 /nfs/dbraw/zinc/45/10/78/1134451078.db2.gz HVFYEEKLGRWQDF-UHFFFAOYSA-N -1 1 335.232 3.591 20 0 EHADMM Cc1cc(OC(F)F)ccc1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188287503 1134451081 /nfs/dbraw/zinc/45/10/81/1134451081.db2.gz HVFYEEKLGRWQDF-UHFFFAOYSA-N -1 1 335.232 3.591 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2nc(Cl)ccc2C(F)(F)F)o1 ZINC001188755515 1134504988 /nfs/dbraw/zinc/50/49/88/1134504988.db2.gz KPZLBUIZFBIJHZ-UHFFFAOYSA-N -1 1 348.712 3.687 20 0 EHADMM Cc1ccc(-c2ccsc2C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000791285335 1134530115 /nfs/dbraw/zinc/53/01/15/1134530115.db2.gz IODUQUHBYZGIFS-UHFFFAOYSA-N -1 1 348.431 3.631 20 0 EHADMM Cc1cnc(S[C@@H](C)C(=O)Nc2cccc3ccccc32)[n-]c1=O ZINC001189399289 1134582961 /nfs/dbraw/zinc/58/29/61/1134582961.db2.gz JWFRMCZUPWEZFZ-LBPRGKRZSA-N -1 1 339.420 3.763 20 0 EHADMM CCc1nc(SCc2ccc(-n3cccn3)cc2)[n-]c(=O)c1C ZINC001189496235 1134592381 /nfs/dbraw/zinc/59/23/81/1134592381.db2.gz YOSXKHPITBAVGS-UHFFFAOYSA-N -1 1 326.425 3.531 20 0 EHADMM CCc1cccc(C)c1NC(=O)Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001189985065 1134646606 /nfs/dbraw/zinc/64/66/06/1134646606.db2.gz FTKLQQJJEYKIKI-UHFFFAOYSA-N -1 1 341.411 3.609 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(CO)cc2)cc1 ZINC001190445698 1134694960 /nfs/dbraw/zinc/69/49/60/1134694960.db2.gz WJXSKLVEOQYJCJ-UHFFFAOYSA-N -1 1 333.453 3.667 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnc(OC)cc2C)cc1 ZINC001190423627 1134698623 /nfs/dbraw/zinc/69/86/23/1134698623.db2.gz LTMXCTQPUNCXJA-UHFFFAOYSA-N -1 1 348.468 3.887 20 0 EHADMM CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001190829692 1134756859 /nfs/dbraw/zinc/75/68/59/1134756859.db2.gz NGRTZKXQUAZNSI-STQMWFEESA-N -1 1 331.428 3.768 20 0 EHADMM COc1cc(C(=O)Nc2cc3[nH]nc(C)c3c(F)c2)cc(Cl)c1[O-] ZINC001191147317 1134802207 /nfs/dbraw/zinc/80/22/07/1134802207.db2.gz LWIJHTYPXBPLKG-UHFFFAOYSA-N -1 1 349.749 3.630 20 0 EHADMM COc1cc(C(=O)Nc2cc3n[nH]c(C)c3c(F)c2)cc(Cl)c1[O-] ZINC001191147317 1134802213 /nfs/dbraw/zinc/80/22/13/1134802213.db2.gz LWIJHTYPXBPLKG-UHFFFAOYSA-N -1 1 349.749 3.630 20 0 EHADMM CC(C)(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001191239751 1134833368 /nfs/dbraw/zinc/83/33/68/1134833368.db2.gz SHMRIHGRMOYIGJ-AAEUAGOBSA-N -1 1 333.856 3.972 20 0 EHADMM Cc1ccc(F)cc1NC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001191378774 1134851810 /nfs/dbraw/zinc/85/18/10/1134851810.db2.gz YRIZARWTBVCLQU-UHFFFAOYSA-N -1 1 326.331 3.669 20 0 EHADMM O=S(=O)(CC1CCCC1)[N-]c1cc(-c2cccc(F)c2)ccn1 ZINC001191481180 1134870927 /nfs/dbraw/zinc/87/09/27/1134870927.db2.gz JPYMNJQHXYGEBR-UHFFFAOYSA-N -1 1 334.416 3.820 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c([O-])c1 ZINC001192322553 1134999662 /nfs/dbraw/zinc/99/96/62/1134999662.db2.gz DJEFKPUCAZTQJS-UHFFFAOYSA-N -1 1 346.814 3.694 20 0 EHADMM CCc1cc2c(COC(=O)C3=C(C)CCC3)cc(=O)oc2cc1[O-] ZINC000747168294 1135012477 /nfs/dbraw/zinc/01/24/77/1135012477.db2.gz WOBLSQAYJQECFY-UHFFFAOYSA-N -1 1 328.364 3.605 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)c1F ZINC001192754829 1135055202 /nfs/dbraw/zinc/05/52/02/1135055202.db2.gz SUXQCPBLWFOFEP-CQSZACIVSA-N -1 1 335.391 3.626 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccc(F)cc2)cc1 ZINC001193885904 1135193402 /nfs/dbraw/zinc/19/34/02/1135193402.db2.gz AXDSWYXZUAYHRV-UHFFFAOYSA-N -1 1 342.395 3.876 20 0 EHADMM C[C@@H](O)c1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)ccc1F ZINC000804795636 1135193507 /nfs/dbraw/zinc/19/35/07/1135193507.db2.gz VVWDRKPOFSCTDL-MRVPVSSYSA-N -1 1 343.276 3.856 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1cccc2cccc(Cl)c21 ZINC001193938756 1135200829 /nfs/dbraw/zinc/20/08/29/1135200829.db2.gz ZYBZWDXGODZWRW-UHFFFAOYSA-N -1 1 332.812 3.876 20 0 EHADMM Cc1cccc(F)c1C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000805018114 1135225221 /nfs/dbraw/zinc/22/52/21/1135225221.db2.gz ZMGLUDUGKINMLS-UHFFFAOYSA-N -1 1 349.761 3.544 20 0 EHADMM CSc1cncc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001194093091 1135231737 /nfs/dbraw/zinc/23/17/37/1135231737.db2.gz XSRAGLXXKBXXIY-UHFFFAOYSA-N -1 1 328.315 3.780 20 0 EHADMM O=C(Nc1cc(Cl)c(O)cc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000805256850 1135253638 /nfs/dbraw/zinc/25/36/38/1135253638.db2.gz ZQLVAOAGSBHIBQ-UHFFFAOYSA-N -1 1 338.747 3.867 20 0 EHADMM CSc1nc(NC(=O)Oc2ccc3ccccc3c2)cc(=O)[n-]1 ZINC001194632474 1135294374 /nfs/dbraw/zinc/29/43/74/1135294374.db2.gz 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1137013127 /nfs/dbraw/zinc/01/31/27/1137013127.db2.gz KVOCEWZHKWTZPF-UHFFFAOYSA-N -1 1 346.358 3.988 20 0 EHADMM COc1cnc(C=Cc2ccc(OCc3ccccc3)cc2)[n-]c1=O ZINC000821008459 1137015474 /nfs/dbraw/zinc/01/54/74/1137015474.db2.gz PZPYMKRKBLBROA-FMIVXFBMSA-N -1 1 334.375 3.940 20 0 EHADMM Cc1ccc(-c2nnc(NC(=O)c3cc(F)ccc3[O-])s2)c(C)c1 ZINC001136410708 1137016077 /nfs/dbraw/zinc/01/60/77/1137016077.db2.gz KFYHMASMPHZCPV-UHFFFAOYSA-N -1 1 343.383 3.919 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)cc1F ZINC000821123942 1137017738 /nfs/dbraw/zinc/01/77/38/1137017738.db2.gz JVBDLGBSQARVLB-UHFFFAOYSA-N -1 1 340.763 3.730 20 0 EHADMM CN(Cc1ccc(Cl)cc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117318944 1137050208 /nfs/dbraw/zinc/05/02/08/1137050208.db2.gz BRMUOTYPPHGMMP-UHFFFAOYSA-N -1 1 345.859 3.746 20 0 EHADMM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccc([O-])cc1F ZINC001136543703 1137050226 /nfs/dbraw/zinc/05/02/26/1137050226.db2.gz XXXBMDKVFCINOZ-UHFFFAOYSA-N -1 1 349.789 3.620 20 0 EHADMM 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VYGMGPVRFUKUTC-CQSZACIVSA-N -1 1 349.228 3.540 20 0 EHADMM Cc1ccc(OC(F)F)c(CNCc2cccc(CCC(=O)[O-])c2)c1 ZINC000864518912 1137231901 /nfs/dbraw/zinc/23/19/01/1137231901.db2.gz YDFXQFGUVKOWOD-UHFFFAOYSA-N -1 1 349.377 3.903 20 0 EHADMM O=C(NCCCc1cccc(F)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001144480288 1137297963 /nfs/dbraw/zinc/29/79/63/1137297963.db2.gz MQOOACZMJHNCKZ-UHFFFAOYSA-N -1 1 341.304 3.913 20 0 EHADMM COc1cccc(O[C@H]2CCCN(Cc3c(F)cc([O-])cc3F)C2)c1 ZINC001144554777 1137308740 /nfs/dbraw/zinc/30/87/40/1137308740.db2.gz HIKMZPLNJOKDIR-INIZCTEOSA-N -1 1 349.377 3.722 20 0 EHADMM CC(=O)C1(c2ccccc2)CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144555075 1137308903 /nfs/dbraw/zinc/30/89/03/1137308903.db2.gz UFZDATBIFOWLQC-UHFFFAOYSA-N -1 1 345.389 3.793 20 0 EHADMM [O-]c1cc(F)c(CN2CCc3ncc(C(F)(F)F)cc3C2)cc1F ZINC001144666778 1137324930 /nfs/dbraw/zinc/32/49/30/1137324930.db2.gz PNQDSTCZKDNEGB-UHFFFAOYSA-N -1 1 344.283 3.643 20 0 EHADMM [O-]c1cc(F)c(CN2CCc3c([nH]nc3C(F)(F)F)C2)cc1F ZINC001144660187 1137327210 /nfs/dbraw/zinc/32/72/10/1137327210.db2.gz VYEXIBSNMKVXEH-ZDUSSCGKSA-N -1 1 333.260 3.527 20 0 EHADMM Cc1ccccc1[C@H]1CN(Cc2ccccc2CC(=O)[O-])[C@H](C)CO1 ZINC000846249894 1137343917 /nfs/dbraw/zinc/34/39/17/1137343917.db2.gz TVHHXMQKMJLQTF-OXQOHEQNSA-N -1 1 339.435 3.584 20 0 EHADMM C[C@@H](O)[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccc1F ZINC001144794921 1137349074 /nfs/dbraw/zinc/34/90/74/1137349074.db2.gz USHJKUUQHGLDFR-XIKOKIGWSA-N -1 1 339.366 3.536 20 0 EHADMM C[C@H](O)[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccc1F ZINC001144794920 1137349248 /nfs/dbraw/zinc/34/92/48/1137349248.db2.gz USHJKUUQHGLDFR-SGTLLEGYSA-N -1 1 339.366 3.536 20 0 EHADMM Cn1ncc(Cl)c1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148251802 1137420774 /nfs/dbraw/zinc/42/07/74/1137420774.db2.gz BKMNIHDGBOQEDU-UHFFFAOYSA-N -1 1 336.178 3.838 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3C[C@@H](C)c4ccccc43)cc2)[n-]1 ZINC001148335726 1137422687 /nfs/dbraw/zinc/42/26/87/1137422687.db2.gz HJSATNZZYDUQMH-YJYMSZOUSA-N -1 1 347.418 3.778 20 0 EHADMM CC(C)C[C@@H]1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C1 ZINC001148547387 1137427585 /nfs/dbraw/zinc/42/75/85/1137427585.db2.gz KWNAEQDZXJTDLO-AWEZNQCLSA-N -1 1 341.407 3.973 20 0 EHADMM Cc1nc2c(NC(=O)c3ccc(C(F)(F)F)cc3[O-])cccn2c1C ZINC001148795135 1137435151 /nfs/dbraw/zinc/43/51/51/1137435151.db2.gz VUGFXQYNEZGURH-UHFFFAOYSA-N -1 1 349.312 3.928 20 0 EHADMM C[C@H]1C[C@H]2CN(C(=O)c3cccc(-c4ccccc4)c3[O-])CC[C@H]2O1 ZINC001148867486 1137436656 /nfs/dbraw/zinc/43/66/56/1137436656.db2.gz WFICVWWOMMOHNT-URLQWDBASA-N -1 1 337.419 3.699 20 0 EHADMM CC(C)Cc1nsc([N-]C(=O)c2cc3c(ccnc3Cl)o2)n1 ZINC000869260645 1137444028 /nfs/dbraw/zinc/44/40/28/1137444028.db2.gz IFGRNXFKXFSJNU-UHFFFAOYSA-N -1 1 336.804 3.784 20 0 EHADMM CO[C@]1(C)CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000282792420 1137451702 /nfs/dbraw/zinc/45/17/02/1137451702.db2.gz MECUXBPTOWPWQH-GOSISDBHSA-N -1 1 348.830 3.625 20 0 EHADMM Cc1cccc(-c2noc(-c3[n-]nnc3C(F)(F)F)n2)c1Cl ZINC001212652944 1137548756 /nfs/dbraw/zinc/54/87/56/1137548756.db2.gz PUFFYYJNNZLBPC-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1cccc(-c2noc(-c3nn[n-]c3C(F)(F)F)n2)c1Cl ZINC001212652944 1137548758 /nfs/dbraw/zinc/54/87/58/1137548758.db2.gz PUFFYYJNNZLBPC-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1cccc(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)c1Cl ZINC001212652944 1137548759 /nfs/dbraw/zinc/54/87/59/1137548759.db2.gz PUFFYYJNNZLBPC-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM COC(=O)c1cc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)ccc1C ZINC000871679736 1137552942 /nfs/dbraw/zinc/55/29/42/1137552942.db2.gz PSJDIDDGCGKAGC-UHFFFAOYSA-N -1 1 344.436 3.755 20 0 EHADMM Cc1ccccc1[C@H](NCc1cccc(OC2CC2)c1F)C(=O)[O-] ZINC000871883425 1137562402 /nfs/dbraw/zinc/56/24/02/1137562402.db2.gz NCIRAGCMIGIPSB-SFHVURJKSA-N -1 1 329.371 3.591 20 0 EHADMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000872414566 1137579773 /nfs/dbraw/zinc/57/97/73/1137579773.db2.gz KKIIJEBGXVVLGH-UHFFFAOYSA-N -1 1 339.363 3.652 20 0 EHADMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000825607166 1137580971 /nfs/dbraw/zinc/58/09/71/1137580971.db2.gz UVJMUKDEPYFMFB-HNNXBMFYSA-N -1 1 340.452 3.631 20 0 EHADMM C[C@]1(CCNC(=O)NCc2ccc([O-])c(Cl)c2)C[C@@]1(F)Cl ZINC000873055512 1137589090 /nfs/dbraw/zinc/58/90/90/1137589090.db2.gz IWCIHIIWSAIZOG-KBPBESRZSA-N -1 1 335.206 3.550 20 0 EHADMM COc1cc(F)c(C(=O)[N-]c2nc(C(C)C)ns2)c(Cl)c1 ZINC000874692505 1137621199 /nfs/dbraw/zinc/62/11/99/1137621199.db2.gz DEEGHSLUTSIUAR-UHFFFAOYSA-N -1 1 329.784 3.715 20 0 EHADMM COc1ccc([C@H](C)N(C)C(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC000876395247 1137650784 /nfs/dbraw/zinc/65/07/84/1137650784.db2.gz YITIFLHWSQOAKW-LBPRGKRZSA-N -1 1 348.830 3.957 20 0 EHADMM Cc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1Cl ZINC000878207156 1137707135 /nfs/dbraw/zinc/70/71/35/1137707135.db2.gz MXMDVEQXKLWMCJ-UHFFFAOYSA-N -1 1 344.842 3.844 20 0 EHADMM O=C(CCOc1ccccc1-c1ccccc1)[N-]O[C@H]1CCCCO1 ZINC000128183015 1137767306 /nfs/dbraw/zinc/76/73/06/1137767306.db2.gz HKPGTENGQVRHNP-FQEVSTJZSA-N -1 1 341.407 3.697 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888820522 1137781218 /nfs/dbraw/zinc/78/12/18/1137781218.db2.gz HLPVDIOWIRSIHF-SGTLLEGYSA-N -1 1 328.799 3.592 20 0 EHADMM COC(=O)c1c[n-]c(SC[C@@H]2CCC[C@@H](c3ccccc3)O2)n1 ZINC000882157442 1137822419 /nfs/dbraw/zinc/82/24/19/1137822419.db2.gz XEYIMNSJENOGDL-ZFWWWQNUSA-N -1 1 332.425 3.599 20 0 EHADMM O=S(=O)([N-][C@@H]1c2ccccc2CC[C@H]1F)c1ccc(C(F)F)o1 ZINC000882808147 1137834769 /nfs/dbraw/zinc/83/47/69/1137834769.db2.gz LNNYJJRGFZLHAN-BXUZGUMPSA-N -1 1 345.342 3.521 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1F)[N-]c1ccc2ccccc2n1 ZINC000800033533 1137895122 /nfs/dbraw/zinc/89/51/22/1137895122.db2.gz YMWBJZHOJKZOTC-QXMHVHEDSA-N -1 1 328.368 3.787 20 0 EHADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000332037210 1137929518 /nfs/dbraw/zinc/92/95/18/1137929518.db2.gz WDILWIYQNKFINW-VHSXEESVSA-N -1 1 349.228 3.573 20 0 EHADMM CC(C)(C)OC[C@@H](O)CNc1cc(Cl)c(Cl)c(Cl)c1[O-] ZINC001253467373 1137995068 /nfs/dbraw/zinc/99/50/68/1137995068.db2.gz IUTOJVWKGHPPPX-ZETCQYMHSA-N -1 1 342.650 3.940 20 0 EHADMM Cc1csc(C[C@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)n1 ZINC000886237745 1138061994 /nfs/dbraw/zinc/06/19/94/1138061994.db2.gz JYIZXWIIZXEIIL-LLVKDONJSA-N -1 1 336.844 3.515 20 0 EHADMM CC(C)n1c(CNC(=O)c2cc(Cl)ccc2Cl)n[n-]c1=S ZINC000066640382 1138076980 /nfs/dbraw/zinc/07/69/80/1138076980.db2.gz APOTXWCOFBKTAD-UHFFFAOYSA-N -1 1 345.255 3.758 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2c(F)cc(F)cc2F)s1 ZINC000129852830 1138425028 /nfs/dbraw/zinc/42/50/28/1138425028.db2.gz IPVRRFSXXYMNOU-UHFFFAOYSA-N -1 1 329.347 3.940 20 0 EHADMM COc1cc(C(=O)NCCc2cccc3[nH]ccc32)cc(Cl)c1[O-] ZINC000337656540 1138635460 /nfs/dbraw/zinc/63/54/60/1138635460.db2.gz NTQVSQHCMOUORV-UHFFFAOYSA-N -1 1 344.798 3.508 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](c4ccccc4C)C3)cnc2n1 ZINC000338104070 1138752141 /nfs/dbraw/zinc/75/21/41/1138752141.db2.gz LWQANUUYEACPNF-HNNXBMFYSA-N -1 1 347.418 3.582 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](c3ccccc3C)C1)c2=O ZINC000338104070 1138752144 /nfs/dbraw/zinc/75/21/44/1138752144.db2.gz LWQANUUYEACPNF-HNNXBMFYSA-N -1 1 347.418 3.582 20 0 EHADMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137246509 1138873992 /nfs/dbraw/zinc/87/39/92/1138873992.db2.gz FKGCDLQJBVSIIE-CVEARBPZSA-N -1 1 331.437 3.655 20 0 EHADMM CCCc1nc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)co1 ZINC000509519930 1139173397 /nfs/dbraw/zinc/17/33/97/1139173397.db2.gz AJWSCJSRVQJGPI-UHFFFAOYSA-N -1 1 334.445 3.854 20 0 EHADMM COc1cnc([C@@H]2CCCN2C(=O)C[C@H](C)CCC=C(C)C)[n-]c1=O ZINC000889787936 1139268815 /nfs/dbraw/zinc/26/88/15/1139268815.db2.gz SQSFZOJFAXWBHD-CABCVRRESA-N -1 1 347.459 3.627 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@H](C)c2ccncc2)cc(Cl)c1[O-] ZINC000186715633 1140218395 /nfs/dbraw/zinc/21/83/95/1140218395.db2.gz VMBOQJSIGKAEJZ-LLVKDONJSA-N -1 1 334.803 3.673 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2cccnc2)cc(Cl)c1[O-] ZINC000186715681 1140218485 /nfs/dbraw/zinc/21/84/85/1140218485.db2.gz VRJZMZLHCQVDAY-NSHDSACASA-N -1 1 334.803 3.673 20 0 EHADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000194055261 1140595964 /nfs/dbraw/zinc/59/59/64/1140595964.db2.gz HPFOKXYEAJGZGS-INIZCTEOSA-N -1 1 348.406 3.545 20 0 EHADMM CSc1nc(C)c(CCc2nc([C@H]3CCC[C@@H](C)C3)no2)c(=O)[n-]1 ZINC000274002139 1141460531 /nfs/dbraw/zinc/46/05/31/1141460531.db2.gz VBVJLDIFPYHQDI-PWSUYJOCSA-N -1 1 348.472 3.674 20 0 EHADMM Cc1ccccc1C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000348532818 1141547346 /nfs/dbraw/zinc/54/73/46/1141547346.db2.gz QVRUDFGLLDUQNY-UHFFFAOYSA-N -1 1 331.362 3.999 20 0 EHADMM COc1ccc(C[C@H](C)CN(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000348970894 1141617310 /nfs/dbraw/zinc/61/73/10/1141617310.db2.gz XQFNIYLDXAVMDX-LBPRGKRZSA-N -1 1 349.377 3.630 20 0 EHADMM Cc1ccnc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000348991007 1141619238 /nfs/dbraw/zinc/61/92/38/1141619238.db2.gz AJUNORIPUPIVLI-UHFFFAOYSA-N -1 1 334.148 3.607 20 0 EHADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000738438099 598956901 /nfs/dbraw/zinc/95/69/01/598956901.db2.gz WJWWLTZIXQPQGX-MELADBBJSA-N -1 1 349.442 3.581 20 0 EHADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000738438099 598956903 /nfs/dbraw/zinc/95/69/03/598956903.db2.gz WJWWLTZIXQPQGX-MELADBBJSA-N -1 1 349.442 3.581 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676232823 597073743 /nfs/dbraw/zinc/07/37/43/597073743.db2.gz HFUBOXNPEXYLCJ-RYUDHWBXSA-N -1 1 337.370 3.679 20 0 EHADMM CCCC[C@@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736441369 598500711 /nfs/dbraw/zinc/50/07/11/598500711.db2.gz QKDIJKMFEMUAJO-BDAKNGLRSA-N -1 1 326.857 3.747 20 0 EHADMM CCCC[C@@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736441369 598500713 /nfs/dbraw/zinc/50/07/13/598500713.db2.gz QKDIJKMFEMUAJO-BDAKNGLRSA-N -1 1 326.857 3.747 20 0 EHADMM CC(C)(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000735665067 598576678 /nfs/dbraw/zinc/57/66/78/598576678.db2.gz BMGMTJHJGXVQOT-UHFFFAOYSA-N -1 1 342.834 3.695 20 0 EHADMM CC(C)(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000735665067 598576679 /nfs/dbraw/zinc/57/66/79/598576679.db2.gz BMGMTJHJGXVQOT-UHFFFAOYSA-N -1 1 342.834 3.695 20 0 EHADMM Fc1ccc([C@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)cc1 ZINC000737652948 599411035 /nfs/dbraw/zinc/41/10/35/599411035.db2.gz XWAYXJUXJGLYKY-GOSISDBHSA-N -1 1 346.369 3.602 20 0 EHADMM Fc1ccc([C@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC000737652948 599411037 /nfs/dbraw/zinc/41/10/37/599411037.db2.gz XWAYXJUXJGLYKY-GOSISDBHSA-N -1 1 346.369 3.602 20 0 EHADMM c1ccc(Oc2ccccc2CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000738433382 599421854 /nfs/dbraw/zinc/42/18/54/599421854.db2.gz RSAPWQWDFFMTEE-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM c1ccc(Oc2ccccc2CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000738433382 599421855 /nfs/dbraw/zinc/42/18/55/599421855.db2.gz RSAPWQWDFFMTEE-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM Cc1cccc(-c2cccc(CNc3cccc(-c4nnn[n-]4)n3)c2)c1 ZINC000737380024 599424847 /nfs/dbraw/zinc/42/48/47/599424847.db2.gz KFMIFBUFCPFCJK-UHFFFAOYSA-N -1 1 342.406 3.849 20 0 EHADMM Cc1cccc(-c2cccc(CNc3cccc(-c4nn[n-]n4)n3)c2)c1 ZINC000737380024 599424851 /nfs/dbraw/zinc/42/48/51/599424851.db2.gz KFMIFBUFCPFCJK-UHFFFAOYSA-N -1 1 342.406 3.849 20 0 EHADMM Cc1ccc([C@H](C)CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000737321269 599531080 /nfs/dbraw/zinc/53/10/80/599531080.db2.gz SDNNGYLWDUNGCY-SECBINFHSA-N -1 1 334.836 3.501 20 0 EHADMM Cc1ccc([C@H](C)CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000737321269 599531082 /nfs/dbraw/zinc/53/10/82/599531082.db2.gz SDNNGYLWDUNGCY-SECBINFHSA-N -1 1 334.836 3.501 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(Br)cc1F)c1ccccc1 ZINC000050509489 599758123 /nfs/dbraw/zinc/75/81/23/599758123.db2.gz CVBITMNGLMTEGK-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(Br)ccc1F)c1ccccc1 ZINC000050507895 599786271 /nfs/dbraw/zinc/78/62/71/599786271.db2.gz JAQCKXKEYFFAPT-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F ZINC000683174637 599787966 /nfs/dbraw/zinc/78/79/66/599787966.db2.gz VRESZOOAFIIMAX-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM COc1ccc([C@@H](NCc2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000737970775 599857100 /nfs/dbraw/zinc/85/71/00/599857100.db2.gz OUQAWOBCGMSFAN-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM C[C@@H](CN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CC1)C(=O)[O-] ZINC000571767669 599950441 /nfs/dbraw/zinc/95/04/41/599950441.db2.gz DHCBYGPLPHSEES-NSHDSACASA-N -1 1 334.803 3.680 20 0 EHADMM Cc1c(Cl)c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)nc2ccccc12 ZINC000405358836 600299081 /nfs/dbraw/zinc/29/90/81/600299081.db2.gz MMWPQLCPMLYGBG-CQSZACIVSA-N -1 1 344.842 3.883 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1csc(-c3ccsc3)n1)CC2 ZINC000405366669 600301966 /nfs/dbraw/zinc/30/19/66/600301966.db2.gz VGDGXBKCIYUMSF-CYBMUJFWSA-N -1 1 334.466 3.558 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1Br)c1ccc(F)cc1 ZINC000426777836 600430820 /nfs/dbraw/zinc/43/08/20/600430820.db2.gz RADSUTIJBGLZLL-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM COc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000832554885 600732344 /nfs/dbraw/zinc/73/23/44/600732344.db2.gz YLBQCHJLRYZDLL-HNNXBMFYSA-N -1 1 340.206 3.918 20 0 EHADMM O=C([O-])[C@@H](c1ccccc1F)N1CCC(C(=O)c2ccccc2)CC1 ZINC000565102471 600984208 /nfs/dbraw/zinc/98/42/08/600984208.db2.gz IRJJWCXIFWQUSL-GOSISDBHSA-N -1 1 341.382 3.546 20 0 EHADMM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000578199338 601804240 /nfs/dbraw/zinc/80/42/40/601804240.db2.gz CDHYIROVDADTPP-UHFFFAOYSA-N -1 1 327.352 3.680 20 0 EHADMM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(C(=O)[O-])s1 ZINC000652408401 601948891 /nfs/dbraw/zinc/94/88/91/601948891.db2.gz HYVGELVSWBAAET-OAHLLOKOSA-N -1 1 331.437 3.798 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(Cl)nc1)c1cc(Cl)cc(Cl)c1 ZINC000833165467 601973816 /nfs/dbraw/zinc/97/38/16/601973816.db2.gz JZDPJJTZWHYNCK-ZDUSSCGKSA-N -1 1 345.613 3.957 20 0 EHADMM CCOC1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000652394288 602035678 /nfs/dbraw/zinc/03/56/78/602035678.db2.gz VQCWPRFTFGSXPO-AWEZNQCLSA-N -1 1 332.227 3.620 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000826051207 602046758 /nfs/dbraw/zinc/04/67/58/602046758.db2.gz BJRHNOLBNOYYCD-KDOFPFPSSA-N -1 1 327.428 3.550 20 0 EHADMM O=C([O-])CN(Cc1cc(-c2ccc(Cl)cc2)no1)C1CCCC1 ZINC000565252727 602331397 /nfs/dbraw/zinc/33/13/97/602331397.db2.gz CSOQEHIRWXFOKQ-UHFFFAOYSA-N -1 1 334.803 3.824 20 0 EHADMM Cc1ccc(Cl)c(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826288952 608171020 /nfs/dbraw/zinc/17/10/20/608171020.db2.gz CWNHJWAQCRNOBP-UHFFFAOYSA-N -1 1 328.184 3.731 20 0 EHADMM CC(C)Oc1cccc(CNCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000824426056 603851868 /nfs/dbraw/zinc/85/18/68/603851868.db2.gz YEGANZVGANFOND-UHFFFAOYSA-N -1 1 340.423 3.804 20 0 EHADMM O=C([O-])N1CCc2cccc(CNCc3ccc(F)c(Cl)c3)c21 ZINC000832086260 603858145 /nfs/dbraw/zinc/85/81/45/603858145.db2.gz CWIDLBPNXJIGJO-UHFFFAOYSA-N -1 1 334.778 3.809 20 0 EHADMM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cnc(C2CCCC2)s1 ZINC000833193628 604468311 /nfs/dbraw/zinc/46/83/11/604468311.db2.gz FMKQUYCTSZDXMU-QGZVFWFLSA-N -1 1 342.464 3.812 20 0 EHADMM O=C([O-])[C@@H]1CCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000261835418 604529457 /nfs/dbraw/zinc/52/94/57/604529457.db2.gz XYDARVNMVHNNHV-NSHDSACASA-N -1 1 341.251 3.773 20 0 EHADMM C[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc(Cl)s1 ZINC000833410587 605057750 /nfs/dbraw/zinc/05/77/50/605057750.db2.gz DATVCCZKOUQUFI-SSDOTTSWSA-N -1 1 349.799 3.718 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccccc1OC(F)F ZINC000833680601 605068117 /nfs/dbraw/zinc/06/81/17/605068117.db2.gz LDTOCKIHRMOGAJ-JTQLQIEISA-N -1 1 339.338 3.992 20 0 EHADMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548037 605104146 /nfs/dbraw/zinc/10/41/46/605104146.db2.gz KLYXSMCGKDVCGA-SNVBAGLBSA-N -1 1 326.318 3.925 20 0 EHADMM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2cccnc2Cl)cc1 ZINC000825398670 605117886 /nfs/dbraw/zinc/11/78/86/605117886.db2.gz ZMWIVNQCWIHMBX-NEPJUHHUSA-N -1 1 333.819 3.914 20 0 EHADMM CCc1noc(C)c1[C@H](C)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827662957 605181527 /nfs/dbraw/zinc/18/15/27/605181527.db2.gz JBQFIEUVDHXWAC-NEPJUHHUSA-N -1 1 331.416 3.725 20 0 EHADMM O=C([O-])N1CCc2cccc(CN3CCC(C(F)(F)F)CC3)c21 ZINC000834123252 605473422 /nfs/dbraw/zinc/47/34/22/605473422.db2.gz QHFMCVUFONDFMK-UHFFFAOYSA-N -1 1 328.334 3.501 20 0 EHADMM O=C([O-])Nc1cccc(CN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000834268096 605787621 /nfs/dbraw/zinc/78/76/21/605787621.db2.gz DFWFJCDLXOKAEV-UHFFFAOYSA-N -1 1 338.407 3.871 20 0 EHADMM CN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H](CCO)c1ccccc1 ZINC000833694861 605836933 /nfs/dbraw/zinc/83/69/33/605836933.db2.gz SZIUBLVDMCVPRF-QGZVFWFLSA-N -1 1 333.815 3.594 20 0 EHADMM CC(C)(C)OC1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833446325 605837670 /nfs/dbraw/zinc/83/76/70/605837670.db2.gz WATSETUOOUOBBY-UHFFFAOYSA-N -1 1 325.836 3.818 20 0 EHADMM Cc1ccncc1CN[C@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833911197 605973807 /nfs/dbraw/zinc/97/38/07/605973807.db2.gz QOVXLSDVCCJODD-LJQANCHMSA-N -1 1 335.407 3.642 20 0 EHADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC2(C1)CCCCCC2 ZINC000823483712 606578548 /nfs/dbraw/zinc/57/85/48/606578548.db2.gz KUELCOJDUUXBAL-UHFFFAOYSA-N -1 1 345.472 3.505 20 0 EHADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC2(C1)CCCCCC2 ZINC000823483712 606578549 /nfs/dbraw/zinc/57/85/49/606578549.db2.gz KUELCOJDUUXBAL-UHFFFAOYSA-N -1 1 345.472 3.505 20 0 EHADMM FC(F)(F)c1cc(Oc2cccc(-c3nnn[n-]3)n2)ccc1Cl ZINC000826368546 607895058 /nfs/dbraw/zinc/89/50/58/607895058.db2.gz UKGOJBATJYLPQO-UHFFFAOYSA-N -1 1 341.680 3.726 20 0 EHADMM FC(F)(F)c1cc(Oc2cccc(-c3nn[n-]n3)n2)ccc1Cl ZINC000826368546 607895059 /nfs/dbraw/zinc/89/50/59/607895059.db2.gz UKGOJBATJYLPQO-UHFFFAOYSA-N -1 1 341.680 3.726 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000322308021 970870876 /nfs/dbraw/zinc/87/08/76/970870876.db2.gz XDRSAHYPLFXMKW-UHFFFAOYSA-N -1 1 331.799 3.605 20 0 EHADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)Cc2ccccc21 ZINC000736289443 944786069 /nfs/dbraw/zinc/78/60/69/944786069.db2.gz LVVLVFJJHWUNQQ-CYBMUJFWSA-N -1 1 342.406 3.539 20 0 EHADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)Cc2ccccc21 ZINC000736289443 944786075 /nfs/dbraw/zinc/78/60/75/944786075.db2.gz LVVLVFJJHWUNQQ-CYBMUJFWSA-N -1 1 342.406 3.539 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1cscc1Br ZINC000306104481 950594139 /nfs/dbraw/zinc/59/41/39/950594139.db2.gz QVQFZPXKRJIQCW-LLVKDONJSA-N -1 1 332.263 3.730 20 0 EHADMM CC(=O)Nc1cccc([C@H](C)NCc2cccc(C(=O)[O-])c2Cl)c1 ZINC000381506447 971762457 /nfs/dbraw/zinc/76/24/57/971762457.db2.gz KANFIXJQNZCXHH-NSHDSACASA-N -1 1 346.814 3.847 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000629488393 953823668 /nfs/dbraw/zinc/82/36/68/953823668.db2.gz LLVFBWSYRJXZFE-CYBMUJFWSA-N -1 1 332.375 3.558 20 0 EHADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000054069330 957520885 /nfs/dbraw/zinc/52/08/85/957520885.db2.gz GFYFQIGGVDFDIQ-JTQLQIEISA-N -1 1 338.201 3.614 20 0 EHADMM CCOc1ccc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)cc1OC ZINC001327322361 961153569 /nfs/dbraw/zinc/15/35/69/961153569.db2.gz BLTDTKVMIOVAGJ-GFCCVEGCSA-N -1 1 333.384 3.578 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H](NCc2cnc(-c3ccccc3)nc2)c2ccccc21 ZINC001574648641 962406625 /nfs/dbraw/zinc/40/66/25/962406625.db2.gz DJRZWBKLSBXGFD-RTBURBONSA-N -1 1 345.402 3.546 20 0 EHADMM Cc1nc(C(F)(F)F)c(CN2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000582363034 968477596 /nfs/dbraw/zinc/47/75/96/968477596.db2.gz FQJMFLXOGCOYDS-JTQLQIEISA-N -1 1 336.379 3.690 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)cc21 ZINC000460837393 1032075193 /nfs/dbraw/zinc/07/51/93/1032075193.db2.gz SZERBQGXQWRWEK-UHFFFAOYSA-N -1 1 347.415 3.613 20 0 EHADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1C ZINC000460841532 1032077936 /nfs/dbraw/zinc/07/79/36/1032077936.db2.gz VBWDKMFJZYZIDE-UHFFFAOYSA-N -1 1 344.436 3.605 20 0 EHADMM Cc1cccc(-c2nnc([C@H](C)N3CCC[C@@H](CCC(=O)[O-])C3)o2)c1 ZINC001605318961 973151594 /nfs/dbraw/zinc/15/15/94/973151594.db2.gz RRUPSYWUPGMGKH-GJZGRUSLSA-N -1 1 343.427 3.683 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CC1 ZINC000417600342 973963470 /nfs/dbraw/zinc/96/34/70/973963470.db2.gz FZHZVQPNUFVJBZ-OAHLLOKOSA-N -1 1 339.313 3.918 20 0 EHADMM Cc1cc(CN2CCC(Oc3ccccc3Cl)CC2)oc1C(=O)[O-] ZINC000517241017 974316172 /nfs/dbraw/zinc/31/61/72/974316172.db2.gz OYPFGDKXLMLDOU-UHFFFAOYSA-N -1 1 349.814 3.983 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000530165301 974359717 /nfs/dbraw/zinc/35/97/17/974359717.db2.gz WQZSUNABZKNFIT-GFCCVEGCSA-N -1 1 333.359 3.721 20 0 EHADMM O=C([O-])c1cccc(CN2CCC(OC3CCCC3)CC2)c1Cl ZINC000568990433 974681776 /nfs/dbraw/zinc/68/17/76/974681776.db2.gz IXVSNJQTFUMLRX-UHFFFAOYSA-N -1 1 337.847 3.962 20 0 EHADMM Cc1ccc(Nc2nc(CN3CCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000572049745 974740861 /nfs/dbraw/zinc/74/08/61/974740861.db2.gz XGVKZUARLWMKSU-HNNXBMFYSA-N -1 1 331.441 3.634 20 0 EHADMM O=C([O-])c1coc(CN2CCC(Cc3cccc(F)c3F)CC2)c1 ZINC000573140738 974761046 /nfs/dbraw/zinc/76/10/46/974761046.db2.gz COULMJKPPGPQGB-UHFFFAOYSA-N -1 1 335.350 3.711 20 0 EHADMM C[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC[C@@H]1C ZINC000583269096 974938527 /nfs/dbraw/zinc/93/85/27/974938527.db2.gz XFRGKDNATBSFAC-STQMWFEESA-N -1 1 330.453 3.986 20 0 EHADMM Cc1ccc(-c2nc(CN3CC[C@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000579711672 1014248030 /nfs/dbraw/zinc/24/80/30/1014248030.db2.gz HMDJYJGLGZKUME-XJKSGUPXSA-N -1 1 330.453 3.661 20 0 EHADMM COc1ccc2c(c1)C1(CC1)CN([C@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC000652449173 975536322 /nfs/dbraw/zinc/53/63/22/975536322.db2.gz SRXPHUHLTAZJPD-SFHVURJKSA-N -1 1 341.382 3.507 20 0 EHADMM Cc1cc(C)cc([C@H](NCc2cccc(OC3CC3)c2F)C(=O)[O-])c1 ZINC000656574773 975664255 /nfs/dbraw/zinc/66/42/55/975664255.db2.gz YQRVDTDJVXJXCA-IBGZPJMESA-N -1 1 343.398 3.899 20 0 EHADMM Cc1ccc2c(c1)CN(CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC000656759243 975687026 /nfs/dbraw/zinc/68/70/26/975687026.db2.gz ZJPMXYPEVGHXQV-UHFFFAOYSA-N -1 1 345.826 3.784 20 0 EHADMM COc1c(Cl)cc(Cl)cc1CNCc1cccc(C(=O)[O-])c1 ZINC000683176929 976081862 /nfs/dbraw/zinc/08/18/62/976081862.db2.gz XKNTXCXVESZQDW-UHFFFAOYSA-N -1 1 340.206 3.990 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(Nc2ccccc2)c1 ZINC000605299448 1014521418 /nfs/dbraw/zinc/52/14/18/1014521418.db2.gz OAYIMNHXFHKGBO-UHFFFAOYSA-N -1 1 347.300 3.819 20 0 EHADMM C[C@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)Oc1ccc(Cl)cc1 ZINC001592705389 979169138 /nfs/dbraw/zinc/16/91/38/979169138.db2.gz DQRBLJBKCBRWFX-NXEZZACHSA-N -1 1 340.832 3.613 20 0 EHADMM CC[C@H](CC1CCCC1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595125702 979509371 /nfs/dbraw/zinc/50/93/71/979509371.db2.gz GPARKSAPKXUPBD-GFCCVEGCSA-N -1 1 329.400 3.806 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(C[C@H](C)c1ccc(F)cc1)CC2 ZINC000871620817 979959355 /nfs/dbraw/zinc/95/93/55/979959355.db2.gz MGUZLOUOOWUWDW-ZDUSSCGKSA-N -1 1 343.398 3.694 20 0 EHADMM COc1cc(C[N@@H+](C)Cc2cc(C(=O)[O-])cs2)ccc1SC ZINC000872157143 980039218 /nfs/dbraw/zinc/03/92/18/980039218.db2.gz LRXOMUZFQQDWPB-UHFFFAOYSA-N -1 1 337.466 3.809 20 0 EHADMM COc1cc(CN(C)Cc2cc(C(=O)[O-])cs2)ccc1SC ZINC000872157143 980039226 /nfs/dbraw/zinc/03/92/26/980039226.db2.gz LRXOMUZFQQDWPB-UHFFFAOYSA-N -1 1 337.466 3.809 20 0 EHADMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc(Cl)ccc2[O-])s1 ZINC000123589377 1014642598 /nfs/dbraw/zinc/64/25/98/1014642598.db2.gz UTMRMQZYBABDQN-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM CC[C@H](N[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccc2c(c1)OCCO2 ZINC001595278695 980312275 /nfs/dbraw/zinc/31/22/75/980312275.db2.gz HQFCQSAWNHAUSF-OCCSQVGLSA-N -1 1 345.395 3.859 20 0 EHADMM C[C@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000901622479 980410639 /nfs/dbraw/zinc/41/06/39/980410639.db2.gz NZERFQKOPHPWPD-KZULUSFZSA-N -1 1 331.362 3.752 20 0 EHADMM CC[C@H](NCc1c2ccccc2[nH]c1C(=O)[O-])c1nc(C)cs1 ZINC001595298256 980414962 /nfs/dbraw/zinc/41/49/62/980414962.db2.gz DTIJCMFEYNBLHN-ZDUSSCGKSA-N -1 1 329.425 3.872 20 0 EHADMM CC[C@@](C)(NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1nc(C)cs1 ZINC000902293844 980820815 /nfs/dbraw/zinc/82/08/15/980820815.db2.gz RGGJEPJHVLICMG-SCLBCKFNSA-N -1 1 348.468 3.718 20 0 EHADMM Cc1ccc(N2CCN(Cc3ccc(C(=O)[O-])s3)[C@H](C)C2)cc1C ZINC000903672540 981011337 /nfs/dbraw/zinc/01/13/37/981011337.db2.gz HWALHNHQRPKLJP-OAHLLOKOSA-N -1 1 344.480 3.774 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(Cl)ccc1OCC1CC1 ZINC000903938757 981058519 /nfs/dbraw/zinc/05/85/19/981058519.db2.gz GMJRWBANXFSDLJ-TZMCWYRMSA-N -1 1 337.847 3.814 20 0 EHADMM C[C@H]1CSCCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000903958301 981074466 /nfs/dbraw/zinc/07/44/66/981074466.db2.gz YTVXMIXYSOHCRV-LBPRGKRZSA-N -1 1 348.493 3.836 20 0 EHADMM Cc1cc(C)cc([C@H](NCc2ccc(C(F)(F)F)cn2)C(=O)[O-])c1 ZINC000905386253 981104948 /nfs/dbraw/zinc/10/49/48/981104948.db2.gz AHWACFQBGJDMQU-HNNXBMFYSA-N -1 1 338.329 3.633 20 0 EHADMM CC[C@@H]1CN(Cc2ncc(C(=O)[O-])s2)CC[C@@H]1c1ccccc1 ZINC001595491049 981245183 /nfs/dbraw/zinc/24/51/83/981245183.db2.gz LELQHHHSDLKXKJ-HIFRSBDPSA-N -1 1 330.453 3.857 20 0 EHADMM CCCC(=O)Nc1cccc(CNCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001595531108 981365777 /nfs/dbraw/zinc/36/57/77/981365777.db2.gz CMIMLGKNUSYVAZ-UHFFFAOYSA-N -1 1 344.386 3.552 20 0 EHADMM CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001596362714 983840808 /nfs/dbraw/zinc/84/08/08/983840808.db2.gz KICSTVUFWFTXBW-LBPRGKRZSA-N -1 1 333.384 3.578 20 0 EHADMM CCN(Cc1ccc(OC)cc1OC)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001596362714 983840816 /nfs/dbraw/zinc/84/08/16/983840816.db2.gz KICSTVUFWFTXBW-LBPRGKRZSA-N -1 1 333.384 3.578 20 0 EHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157530747 1015010981 /nfs/dbraw/zinc/01/09/81/1015010981.db2.gz NVMXSZWHTZYXBO-UHFFFAOYSA-N -1 1 329.343 3.776 20 0 EHADMM CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001589205864 985672147 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O=C(Nc1ccc(F)cc1[O-])c1ccc(OCc2ccccn2)cc1 ZINC000340330688 1016952096 /nfs/dbraw/zinc/95/20/96/1016952096.db2.gz VATZDSVPYIZWEP-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM CCOc1cc(-c2noc(CCCSC)n2)cc(Cl)c1[O-] ZINC000445412449 1032289393 /nfs/dbraw/zinc/28/93/93/1032289393.db2.gz SKEGGMUXZXPOIC-UHFFFAOYSA-N -1 1 328.821 3.790 20 0 EHADMM Cc1cccc2nc(-c3cccc(Sc4cnccn4)n3)[n-]c(=O)c12 ZINC000345776209 1032320003 /nfs/dbraw/zinc/32/00/03/1032320003.db2.gz UEJNSBAKECLMIS-UHFFFAOYSA-N -1 1 347.403 3.647 20 0 EHADMM CCCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1OC ZINC000905076925 1032346036 /nfs/dbraw/zinc/34/60/36/1032346036.db2.gz NXTLYMSKBFHIPQ-VQHVLOKHSA-N -1 1 330.384 3.549 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000081956623 1032377053 /nfs/dbraw/zinc/37/70/53/1032377053.db2.gz MNCNTVMUWWFLAI-UHFFFAOYSA-N -1 1 349.500 3.789 20 0 EHADMM CC(C)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000395765881 1032414933 /nfs/dbraw/zinc/41/49/33/1032414933.db2.gz PGRBKERDOUEGRN-CYBMUJFWSA-N -1 1 326.234 3.805 20 0 EHADMM Cc1ccc(C(=O)C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000414635496 1017083291 /nfs/dbraw/zinc/08/32/91/1017083291.db2.gz HCDWEXPOTUJCEP-UHFFFAOYSA-N -1 1 337.419 3.788 20 0 EHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccc(OC(F)F)c1 ZINC000537212943 1032563792 /nfs/dbraw/zinc/56/37/92/1032563792.db2.gz ZZDPARKXZYLEQI-QMMMGPOBSA-N -1 1 343.276 3.763 20 0 EHADMM Cc1nc([C@H]2CCCN2C(=O)c2ncc3ccccc3c2[O-])cs1 ZINC000613617528 1017220159 /nfs/dbraw/zinc/22/01/59/1017220159.db2.gz LJVFJHWXBSASRZ-OAHLLOKOSA-N -1 1 339.420 3.683 20 0 EHADMM CCOc1cc(-c2noc(C3(C)CCOCC3)n2)cc(Cl)c1[O-] ZINC000683589446 1017552846 /nfs/dbraw/zinc/55/28/46/1017552846.db2.gz SHIHYCMPQVZXKJ-UHFFFAOYSA-N -1 1 338.791 3.562 20 0 EHADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1-c1ncco1 ZINC000377723733 1018269320 /nfs/dbraw/zinc/26/93/20/1018269320.db2.gz XEKWRYUNTBMWOR-UHFFFAOYSA-N -1 1 330.290 3.886 20 0 EHADMM CC[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000729082677 1019185280 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O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000891336751 1020166576 /nfs/dbraw/zinc/16/65/76/1020166576.db2.gz OHTSQFYKHGQNCA-MSOLQXFVSA-N -1 1 339.435 3.824 20 0 EHADMM Cc1cc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)ccc1F ZINC000580917450 1020232960 /nfs/dbraw/zinc/23/29/60/1020232960.db2.gz CZRNETQTJSNKDA-UHFFFAOYSA-N -1 1 348.337 3.805 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CC(C)(C)C1 ZINC000345433314 1020274542 /nfs/dbraw/zinc/27/45/42/1020274542.db2.gz VOFAHGFYZJMLEK-JTQLQIEISA-N -1 1 326.234 3.663 20 0 EHADMM O=C(NNc1cccc(Cl)c1)c1ccc(Br)cc1[O-] ZINC000066044132 1020523466 /nfs/dbraw/zinc/52/34/66/1020523466.db2.gz ZCZWWMCRIFSLND-UHFFFAOYSA-N -1 1 341.592 3.565 20 0 EHADMM COc1ccc(-c2ocnc2C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000581337481 1020707109 /nfs/dbraw/zinc/70/71/09/1020707109.db2.gz LXLJXQOPEJDNQB-UHFFFAOYSA-N -1 1 344.754 3.962 20 0 EHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000341037027 1020902151 /nfs/dbraw/zinc/90/21/51/1020902151.db2.gz GSPPIYRILWNABD-SNAWJCMRSA-N -1 1 333.409 3.538 20 0 EHADMM Cc1cccc([C@H](NCc2cccc(OC3CC3)c2F)C(=O)[O-])c1C ZINC000656572307 1020942165 /nfs/dbraw/zinc/94/21/65/1020942165.db2.gz GVZVPGADCNDYBH-IBGZPJMESA-N -1 1 343.398 3.899 20 0 EHADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccccc1 ZINC000171013124 1032949261 /nfs/dbraw/zinc/94/92/61/1032949261.db2.gz QNDUYNSIUMZGLH-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc1 ZINC000656636096 1021065337 /nfs/dbraw/zinc/06/53/37/1021065337.db2.gz SAUFAQIIFVJYIB-UHFFFAOYSA-N -1 1 345.464 3.858 20 0 EHADMM CC(C)COC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436763309 1021212031 /nfs/dbraw/zinc/21/20/31/1021212031.db2.gz JWAWWSWJHYHFBR-UHFFFAOYSA-N -1 1 345.361 3.688 20 0 EHADMM O=C(Nc1scnc1C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764662 1021212799 /nfs/dbraw/zinc/21/27/99/1021212799.db2.gz SECMXERCTZXTHT-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM CCc1cnccc1[C@H](C)NC(=O)c1cc(Br)ccc1[O-] ZINC000436791912 1021235580 /nfs/dbraw/zinc/23/55/80/1021235580.db2.gz LZLITCYYMURUOD-JTQLQIEISA-N -1 1 349.228 3.603 20 0 EHADMM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000656741594 1021241863 /nfs/dbraw/zinc/24/18/63/1021241863.db2.gz JRPAZHVGTJUFHY-UHFFFAOYSA-N -1 1 343.370 3.998 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])nn1-c1c(F)cccc1F ZINC000436833281 1021264199 /nfs/dbraw/zinc/26/41/99/1021264199.db2.gz VKYLEHXMGLCPAX-UHFFFAOYSA-N -1 1 347.296 3.556 20 0 EHADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1OCCc2sccc21 ZINC000436826027 1021278403 /nfs/dbraw/zinc/27/84/03/1021278403.db2.gz NDGGZRUMZIQZSA-RFAUZJTJSA-N -1 1 337.828 3.539 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c1 ZINC000439262455 1021285648 /nfs/dbraw/zinc/28/56/48/1021285648.db2.gz USQPROOPUAGKGX-UHFFFAOYSA-N -1 1 345.449 3.623 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2csc(C(=O)[O-])c2)cc1F ZINC000656762526 1021291748 /nfs/dbraw/zinc/29/17/48/1021291748.db2.gz DVIKEGJSLJOPIH-CQSZACIVSA-N -1 1 335.400 3.931 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2ccccc2OC2CC2)[C@H]2CCCC[C@@H]12 ZINC000656768721 1021307934 /nfs/dbraw/zinc/30/79/34/1021307934.db2.gz WLOHHSGTWPCYMK-KSZLIROESA-N -1 1 329.440 3.693 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cncc(C(F)(F)F)c3)n2)c(F)c1 ZINC000436880944 1021331706 /nfs/dbraw/zinc/33/17/06/1021331706.db2.gz UMLOTKRMKAAPTD-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cccc(F)c2)cccc1-c1ncco1 ZINC000427346792 1021333143 /nfs/dbraw/zinc/33/31/43/1021333143.db2.gz XOXDYNRARVLTLD-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(O)cc1[O-] ZINC000436884553 1021337064 /nfs/dbraw/zinc/33/70/64/1021337064.db2.gz AUUBBCQZFTTZFP-UHFFFAOYSA-N -1 1 344.367 3.537 20 0 EHADMM COc1ccc2nc(-c3noc(-c4cc(F)ccc4[O-])n3)ccc2c1 ZINC000436888914 1021341380 /nfs/dbraw/zinc/34/13/80/1021341380.db2.gz VCVFFXYOTLONBX-UHFFFAOYSA-N -1 1 337.310 3.805 20 0 EHADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CCC(C)(C)C1 ZINC000436910317 1021353406 /nfs/dbraw/zinc/35/34/06/1021353406.db2.gz CGMMTIXSYBHEEZ-NSHDSACASA-N -1 1 326.234 3.805 20 0 EHADMM C[C@H]1CCC[C@H](C)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436922400 1021382296 /nfs/dbraw/zinc/38/22/96/1021382296.db2.gz NDHSYPHXUSIXNM-QWRGUYRKSA-N -1 1 326.234 3.805 20 0 EHADMM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cc(F)ccc1[O-] ZINC000436924731 1021383254 /nfs/dbraw/zinc/38/32/54/1021383254.db2.gz DWTLFSKPXSRBOW-UHFFFAOYSA-N -1 1 330.340 3.613 20 0 EHADMM O=C(Nc1ccc2[nH]ccc2c1)c1cc(Br)ccc1[O-] ZINC000436932745 1021395153 /nfs/dbraw/zinc/39/51/53/1021395153.db2.gz DQRQHDRZFCORKG-UHFFFAOYSA-N -1 1 331.169 3.888 20 0 EHADMM O=c1nc(-c2ccc([O-])cn2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000427449039 1021408464 /nfs/dbraw/zinc/40/84/64/1021408464.db2.gz DYOOGNXAJHPDFQ-UHFFFAOYSA-N -1 1 339.351 3.971 20 0 EHADMM CC[C@H]1CCc2c(sc3[nH]c(-c4ccc([O-])cn4)nc(=O)c23)C1 ZINC000427471107 1021415796 /nfs/dbraw/zinc/41/57/96/1021415796.db2.gz XALFOGVWPIJSFL-VIFPVBQESA-N -1 1 327.409 3.679 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccnc(OC3CCC3)c2)no1 ZINC000436950927 1021417251 /nfs/dbraw/zinc/41/72/51/1021417251.db2.gz XHLZTLMSDNISSO-UHFFFAOYSA-N -1 1 327.315 3.575 20 0 EHADMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)CCC2 ZINC000436977239 1021432921 /nfs/dbraw/zinc/43/29/21/1021432921.db2.gz DIDVTGYQOCUQJS-IBGZPJMESA-N -1 1 337.419 3.892 20 0 EHADMM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc([O-])cc1F ZINC000436986692 1021442429 /nfs/dbraw/zinc/44/24/29/1021442429.db2.gz HMDRREZZNJGPKS-UHFFFAOYSA-N -1 1 346.255 3.897 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2ccc3c(c2)COC3)c([O-])c1 ZINC000436987556 1021444673 /nfs/dbraw/zinc/44/46/73/1021444673.db2.gz MPSMHCILABTSLM-UHFFFAOYSA-N -1 1 327.380 3.854 20 0 EHADMM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1c([O-])cccc1F ZINC000436992456 1021445614 /nfs/dbraw/zinc/44/56/14/1021445614.db2.gz YWDZORCYYNBNTN-AWEZNQCLSA-N -1 1 341.304 3.825 20 0 EHADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000437458651 1021852858 /nfs/dbraw/zinc/85/28/58/1021852858.db2.gz ADJBUNBOWPHVEE-HDJSIYSDSA-N -1 1 346.224 3.831 20 0 EHADMM CCN(c1ccccc1)c1ccc(CNC(=O)c2cncc([O-])c2)cc1 ZINC000440122420 1021962392 /nfs/dbraw/zinc/96/23/92/1021962392.db2.gz DCTWCOWDQXUDOW-UHFFFAOYSA-N -1 1 347.418 3.875 20 0 EHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000007056352 1022620453 /nfs/dbraw/zinc/62/04/53/1022620453.db2.gz FPJRJWVUYQNRIG-UHFFFAOYSA-N -1 1 340.788 3.666 20 0 EHADMM CCCCc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)[nH]n1 ZINC000473758921 1022693806 /nfs/dbraw/zinc/69/38/06/1022693806.db2.gz DGGCXCSBSDTELD-UHFFFAOYSA-N -1 1 333.866 3.576 20 0 EHADMM CO[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCCCC1 ZINC001167980496 1022773769 /nfs/dbraw/zinc/77/37/69/1022773769.db2.gz PAHVRXCMRJLCHX-OAHLLOKOSA-N -1 1 345.361 3.736 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000112193236 1022824030 /nfs/dbraw/zinc/82/40/30/1022824030.db2.gz PJPURRSAUDRNQQ-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1 ZINC000112193250 1022825071 /nfs/dbraw/zinc/82/50/71/1022825071.db2.gz PKSJGKRYLGBPPG-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM CN(C)C(=O)c1cc(Nc2cc([O-])c(Cl)cc2F)ccc1F ZINC001211855688 1022854052 /nfs/dbraw/zinc/85/40/52/1022854052.db2.gz DFLTYCFAVFMFSE-UHFFFAOYSA-N -1 1 326.730 3.769 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000438726773 1022957962 /nfs/dbraw/zinc/95/79/62/1022957962.db2.gz VTEDOIZEHGMLEO-UHFFFAOYSA-N -1 1 342.420 3.572 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1F ZINC000438788112 1022998845 /nfs/dbraw/zinc/99/88/45/1022998845.db2.gz AYBXUQWHUNGVHX-UHFFFAOYSA-N -1 1 335.400 3.774 20 0 EHADMM CC(C)Cc1ccc([C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000429609108 1023035537 /nfs/dbraw/zinc/03/55/37/1023035537.db2.gz ZFAXGMWHTUQWKD-JTQLQIEISA-N -1 1 340.349 3.764 20 0 EHADMM CCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000426810463 1023061581 /nfs/dbraw/zinc/06/15/81/1023061581.db2.gz ZRZOMMVGAQMVKB-SFHVURJKSA-N -1 1 342.439 3.909 20 0 EHADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000028975989 1023064005 /nfs/dbraw/zinc/06/40/05/1023064005.db2.gz KOSOFEQDMQCUBP-UHFFFAOYSA-N -1 1 344.371 3.770 20 0 EHADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000426837470 1023074136 /nfs/dbraw/zinc/07/41/36/1023074136.db2.gz OLQXELMRTAURAV-ZBEGNZNMSA-N -1 1 345.443 3.502 20 0 EHADMM COc1ccc([C@@H](NCc2cc(Cl)ccc2F)C(=O)[O-])cc1F ZINC000426833545 1023080963 /nfs/dbraw/zinc/08/09/63/1023080963.db2.gz MIDOUBGMJDWDPM-OAHLLOKOSA-N -1 1 341.741 3.542 20 0 EHADMM Cc1cnc(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2)c([O-])c1 ZINC000426995341 1023150098 /nfs/dbraw/zinc/15/00/98/1023150098.db2.gz PBWGDKHXFQHETA-OAQYLSRUSA-N -1 1 344.414 3.884 20 0 EHADMM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000198883561 1033121816 /nfs/dbraw/zinc/12/18/16/1033121816.db2.gz PRTNGTIGWRHUJK-UHFFFAOYSA-N -1 1 341.382 3.575 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431167931 1023372084 /nfs/dbraw/zinc/37/20/84/1023372084.db2.gz GGDYLKLEKXZYCL-UHFFFAOYSA-N -1 1 333.356 3.627 20 0 EHADMM C[C@@H](N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1(C)CC1 ZINC000092427045 1023413993 /nfs/dbraw/zinc/41/39/93/1023413993.db2.gz GGIPAQKEXMXPNC-GFCCVEGCSA-N -1 1 348.443 4.000 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000535684827 1023564432 /nfs/dbraw/zinc/56/44/32/1023564432.db2.gz BGZRMIHRQNENKR-UHFFFAOYSA-N -1 1 337.400 3.764 20 0 EHADMM CSC1(C(=O)Nc2cc(C)cc(Br)c2[O-])CCC1 ZINC000427093475 1023642377 /nfs/dbraw/zinc/64/23/77/1023642377.db2.gz NDVOMFLXYIIZNS-UHFFFAOYSA-N -1 1 330.247 3.687 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1csc(-c2ccoc2)n1 ZINC000342052033 1023804518 /nfs/dbraw/zinc/80/45/18/1023804518.db2.gz CHDBAVSQOKGBHX-UHFFFAOYSA-N -1 1 342.405 3.529 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1Cl ZINC000342055177 1023807108 /nfs/dbraw/zinc/80/71/08/1023807108.db2.gz DPVIRWDZJMEABI-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccco1)Cc1ccccc1 ZINC000093923391 1024112258 /nfs/dbraw/zinc/11/22/58/1024112258.db2.gz GZTIZFIIFDJNMH-UHFFFAOYSA-N -1 1 325.339 3.967 20 0 EHADMM CC[C@@H](CSc1nc([O-])cc(=O)n1C1CCCC1)CC(F)F ZINC000657243198 1024275177 /nfs/dbraw/zinc/27/51/77/1024275177.db2.gz MNQPPECYRFVCHL-SNVBAGLBSA-N -1 1 332.416 3.838 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)ccc1C(F)(F)F ZINC000579537897 1024306466 /nfs/dbraw/zinc/30/64/66/1024306466.db2.gz KBCJXYAEJMSRJP-UHFFFAOYSA-N -1 1 349.305 3.659 20 0 EHADMM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ncccc1[O-] ZINC000346114977 1024412912 /nfs/dbraw/zinc/41/29/12/1024412912.db2.gz WDFNHKRRGUIXIW-LLVKDONJSA-N -1 1 338.329 3.509 20 0 EHADMM CCc1nc(SCC(=O)c2cc(F)c(C)cc2F)[n-]c(=O)c1C ZINC000657263770 1024425756 /nfs/dbraw/zinc/42/57/56/1024425756.db2.gz GPKZGFAEICTRPF-UHFFFAOYSA-N -1 1 338.379 3.615 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000434969589 1024531459 /nfs/dbraw/zinc/53/14/59/1024531459.db2.gz RTXVCTSTYYICJH-UHFFFAOYSA-N -1 1 345.449 3.599 20 0 EHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccc(N2CCCC2)c1 ZINC000281073717 1024630002 /nfs/dbraw/zinc/63/00/02/1024630002.db2.gz TXVNBVSHHOZCIA-GFCCVEGCSA-N -1 1 346.377 3.762 20 0 EHADMM C[C@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCS1 ZINC000283140010 1024726684 /nfs/dbraw/zinc/72/66/84/1024726684.db2.gz XSTGTOLFSYNPLV-JTQLQIEISA-N -1 1 336.844 3.561 20 0 EHADMM Cc1cnc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c([O-])c1 ZINC000427739925 1024771779 /nfs/dbraw/zinc/77/17/79/1024771779.db2.gz HXWQHYAVEHJWOJ-UHFFFAOYSA-N -1 1 337.206 3.601 20 0 EHADMM O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cncc([O-])c1 ZINC000346581860 1024919582 /nfs/dbraw/zinc/91/95/82/1024919582.db2.gz BVWHSRULGUMSPP-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM CC(C)CCC[C@@H](C)NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000515018467 1024972053 /nfs/dbraw/zinc/97/20/53/1024972053.db2.gz HYWHMCGAHAKIJN-SNVBAGLBSA-N -1 1 347.431 3.543 20 0 EHADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000511278447 1033260961 /nfs/dbraw/zinc/26/09/61/1033260961.db2.gz XVGBKGLGIBSEJW-UHFFFAOYSA-N -1 1 341.379 3.945 20 0 EHADMM COc1cnc([C@@H]2CCCN2C/C=C/c2ccc(Cl)cc2)[n-]c1=O ZINC000934269924 1025183612 /nfs/dbraw/zinc/18/36/12/1025183612.db2.gz COUGZHHLNXIFRQ-OMDKTOEGSA-N -1 1 345.830 3.695 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)c1 ZINC000442255724 1025240884 /nfs/dbraw/zinc/24/08/84/1025240884.db2.gz VYASHKILFZDJIR-UHFFFAOYSA-N -1 1 339.844 3.904 20 0 EHADMM COC(=O)c1sc2[n-]c(-c3ccc(Cl)s3)nc(=O)c2c1C ZINC000521182834 1025256390 /nfs/dbraw/zinc/25/63/90/1025256390.db2.gz UUZDTDHMNPAVCO-UHFFFAOYSA-N -1 1 340.813 3.874 20 0 EHADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000442596466 1025385076 /nfs/dbraw/zinc/38/50/76/1025385076.db2.gz JDBXOCJHYIXXMI-UHFFFAOYSA-N -1 1 348.468 3.967 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c(F)c1 ZINC000521530765 1025444005 /nfs/dbraw/zinc/44/40/05/1025444005.db2.gz MLRGXWMARYFXJT-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 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VHJOHGHCHPWMOH-UHFFFAOYSA-N -1 1 343.810 3.902 20 0 EHADMM CN(CCN(C)c1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436481827 1025758210 /nfs/dbraw/zinc/75/82/10/1025758210.db2.gz BEOVCORFLHSOJY-UHFFFAOYSA-N -1 1 334.419 3.754 20 0 EHADMM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000436548933 1025852027 /nfs/dbraw/zinc/85/20/27/1025852027.db2.gz ODEKMUVRWOBBSM-UHFFFAOYSA-N -1 1 347.239 3.864 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000436555723 1025863620 /nfs/dbraw/zinc/86/36/20/1025863620.db2.gz NLYFNCILBKRESM-SZVBFZGTSA-N -1 1 325.383 3.940 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])[C@@H]1c1ccccc1 ZINC000436571773 1025902467 /nfs/dbraw/zinc/90/24/67/1025902467.db2.gz DUDXYGSJMWXZEB-BZNIZROVSA-N -1 1 346.224 3.988 20 0 EHADMM CC[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1c(C)nn(C)c1C ZINC000436572536 1025905276 /nfs/dbraw/zinc/90/52/76/1025905276.db2.gz GXZHXNGPHVLGJF-QGZVFWFLSA-N -1 1 337.423 3.777 20 0 EHADMM O=C(N[C@@H](CCCO)c1ccccc1)c1ccc2ccccc2c1[O-] 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CCOc1cc(-c2noc(-c3n[nH]c(C)c3C)n2)cc(Cl)c1[O-] ZINC000277850707 1027317948 /nfs/dbraw/zinc/31/79/48/1027317948.db2.gz JLBQDLNILPEULS-UHFFFAOYSA-N -1 1 334.763 3.501 20 0 EHADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000078234482 1027530952 /nfs/dbraw/zinc/53/09/52/1027530952.db2.gz IENUSXNLUPGWRX-UHFFFAOYSA-N -1 1 346.452 3.743 20 0 EHADMM Cc1ccc(C)c(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000261413431 1027690361 /nfs/dbraw/zinc/69/03/61/1027690361.db2.gz VSRXHUHUXMEAJT-UHFFFAOYSA-N -1 1 342.342 3.793 20 0 EHADMM O=S(=O)([N-]CCCCl)c1cc(Cl)c(Cl)cc1Cl ZINC000039968013 1027760781 /nfs/dbraw/zinc/76/07/81/1027760781.db2.gz JCXOUXGLTIZVCL-UHFFFAOYSA-N -1 1 337.055 3.554 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@]4(CC=CCC4)C3)cnc2n1 ZINC000114557915 1027973976 /nfs/dbraw/zinc/97/39/76/1027973976.db2.gz QDRQCJJIUSRNNR-FQEVSTJZSA-N -1 1 337.423 3.606 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@]3(CC=CCC3)C1)c2=O ZINC000114557915 1027973985 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/nfs/dbraw/zinc/96/13/54/1037961354.db2.gz QWYSNXLXKHQIPB-NOZJJQNGSA-N -1 1 346.652 3.788 20 0 EHADMM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000538506748 1038348011 /nfs/dbraw/zinc/34/80/11/1038348011.db2.gz WDNKZSKLKSKTDR-UHFFFAOYSA-N -1 1 349.312 3.560 20 0 EHADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc(C(C)C)c3)ccc12 ZINC000461337039 1038351428 /nfs/dbraw/zinc/35/14/28/1038351428.db2.gz YTSSUEMQOSYFSB-UHFFFAOYSA-N -1 1 343.452 3.806 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CCCS1 ZINC000552022424 1038457758 /nfs/dbraw/zinc/45/77/58/1038457758.db2.gz WGLMEUGQVOBKIA-VIFPVBQESA-N -1 1 336.638 3.642 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccccc2)sc1C ZINC000539113067 1038690663 /nfs/dbraw/zinc/69/06/63/1038690663.db2.gz WPCBQJLKCRYWQH-UHFFFAOYSA-N -1 1 347.465 3.864 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2cc(C)c3ncccc3c2)[n-]c1=O ZINC000432692830 1038783732 /nfs/dbraw/zinc/78/37/32/1038783732.db2.gz GCVVBBCAIWTPPA-LCYFTJDESA-N -1 1 349.390 3.776 20 0 EHADMM Cc1nsc(C)c1CN[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905402287 1038859201 /nfs/dbraw/zinc/85/92/01/1038859201.db2.gz HCRDHFIAOWKSGD-CYBMUJFWSA-N -1 1 344.358 3.694 20 0 EHADMM Cc1nc(N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000910374308 1038871496 /nfs/dbraw/zinc/87/14/96/1038871496.db2.gz LMCXNWZLWDOCJC-WBVHZDCISA-N -1 1 345.830 3.599 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccccc2N2CCCCC2)c(F)c1 ZINC000905721844 1039058546 /nfs/dbraw/zinc/05/85/46/1039058546.db2.gz ZBOYADRQYREKSG-UHFFFAOYSA-N -1 1 342.414 3.804 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000552209223 1039088078 /nfs/dbraw/zinc/08/80/78/1039088078.db2.gz UCLDHQYHTPJDGN-UHFFFAOYSA-N -1 1 348.472 3.794 20 0 EHADMM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(CN(CC)CC)o1 ZINC000910963459 1039162288 /nfs/dbraw/zinc/16/22/88/1039162288.db2.gz ZXXBTWMLTIFVAH-UHFFFAOYSA-N -1 1 344.411 3.634 20 0 EHADMM CCCOc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000431907171 1039185842 /nfs/dbraw/zinc/18/58/42/1039185842.db2.gz MUPJESZCENAEQL-UHFFFAOYSA-N -1 1 349.390 3.682 20 0 EHADMM Cc1cccc(Cl)c1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000488470937 1039212427 /nfs/dbraw/zinc/21/24/27/1039212427.db2.gz SHPCKWITUPRRIH-UHFFFAOYSA-N -1 1 341.798 3.925 20 0 EHADMM CCOC1(C(=O)Nc2cc(C)cc(Br)c2[O-])CCCC1 ZINC000552432781 1039280755 /nfs/dbraw/zinc/28/07/55/1039280755.db2.gz BIRCVYCLEKXSHR-UHFFFAOYSA-N -1 1 342.233 3.751 20 0 EHADMM CC1(c2cccc(Cl)c2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000478425735 1039444842 /nfs/dbraw/zinc/44/48/42/1039444842.db2.gz CGRWWIABIWSIBM-UHFFFAOYSA-N -1 1 330.815 3.635 20 0 EHADMM CCN(CC)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)o1 ZINC000911684356 1039458238 /nfs/dbraw/zinc/45/82/38/1039458238.db2.gz QHTWYIFYIZWHQO-UHFFFAOYSA-N -1 1 348.374 3.519 20 0 EHADMM Cc1cnc(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000478490386 1039481597 /nfs/dbraw/zinc/48/15/97/1039481597.db2.gz JYAGSFOHIBIIHH-UHFFFAOYSA-N -1 1 344.842 3.943 20 0 EHADMM O=S(=O)([N-]c1cc(F)cc(F)c1)C1=Cc2ccccc2OCC1 ZINC000186925366 1039492317 /nfs/dbraw/zinc/49/23/17/1039492317.db2.gz MZOOMFARSGWDRQ-UHFFFAOYSA-N -1 1 337.347 3.530 20 0 EHADMM CCCCCC[C@@](C)(CC)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000912246918 1039774702 /nfs/dbraw/zinc/77/47/02/1039774702.db2.gz GZIYVEFHRLHYDJ-QGZVFWFLSA-N -1 1 339.505 3.907 20 0 EHADMM C[C@H](c1ccccc1)N1CC[C@@H](N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000489359497 1039896762 /nfs/dbraw/zinc/89/67/62/1039896762.db2.gz HWSITHGOQBDHNE-UKRRQHHQSA-N -1 1 330.501 3.505 20 0 EHADMM COc1ccc(F)c2[nH]c(C(=O)Nc3cc([O-])c(F)cc3F)cc21 ZINC001625896580 1039927597 /nfs/dbraw/zinc/92/75/97/1039927597.db2.gz ODSDIIAMYGBOEF-UHFFFAOYSA-N -1 1 336.269 3.552 20 0 EHADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(F)ccc2OC)cc1 ZINC000417572045 1040004713 /nfs/dbraw/zinc/00/47/13/1040004713.db2.gz GANYYYHAIRRCEI-QGZVFWFLSA-N -1 1 347.386 3.539 20 0 EHADMM Cc1nc(C2CCC2)sc1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000907367076 1040027944 /nfs/dbraw/zinc/02/79/44/1040027944.db2.gz 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1040316817 /nfs/dbraw/zinc/31/68/17/1040316817.db2.gz ZLUJSNYXYSSGQM-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM O=S(=O)([N-]c1cc(F)ccc1Cl)C1=Cc2ccccc2OC1 ZINC000190283360 1040376063 /nfs/dbraw/zinc/37/60/63/1040376063.db2.gz RLICXAFMGCIVLG-UHFFFAOYSA-N -1 1 339.775 3.654 20 0 EHADMM CC(C)C1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000555414115 1040548166 /nfs/dbraw/zinc/54/81/66/1040548166.db2.gz ZJDVMUNBNHPORA-UHFFFAOYSA-N -1 1 341.782 3.826 20 0 EHADMM Oc1cccc(C[NH+]2CCC(OC3CCC3)CC2)c1Br ZINC000418092613 1040571983 /nfs/dbraw/zinc/57/19/83/1040571983.db2.gz PGBZIZFEBZFCKN-UHFFFAOYSA-N -1 1 340.261 3.688 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(F)c1Br ZINC000490648517 1040648295 /nfs/dbraw/zinc/64/82/95/1040648295.db2.gz MBWGNPXXQDQLMH-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM CC(C)Cc1nsc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000364285288 1040685088 /nfs/dbraw/zinc/68/50/88/1040685088.db2.gz AUVCESXKTYUEAY-UHFFFAOYSA-N -1 1 345.468 3.542 20 0 EHADMM Cc1ccc(-c2nnc([N-]C(=O)c3ncoc3C3CC3)s2)c(C)c1 ZINC000555515531 1040724622 /nfs/dbraw/zinc/72/46/22/1040724622.db2.gz FJLSMCDWVUXVKO-UHFFFAOYSA-N -1 1 340.408 3.940 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H](O)CC(C)(C)C)c1 ZINC000487239846 1040842276 /nfs/dbraw/zinc/84/22/76/1040842276.db2.gz NLPVLKGAOXYEEY-SNVBAGLBSA-N -1 1 344.249 3.589 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H](O)CC(C)(C)C)c1 ZINC000487239845 1040842414 /nfs/dbraw/zinc/84/24/14/1040842414.db2.gz NLPVLKGAOXYEEY-JTQLQIEISA-N -1 1 344.249 3.589 20 0 EHADMM Cc1[nH]nc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)c1[O-] ZINC001142642485 1040983189 /nfs/dbraw/zinc/98/31/89/1040983189.db2.gz DIMCBTMUOPWMLS-UHFFFAOYSA-N -1 1 329.400 3.635 20 0 EHADMM CCCCN1Cc2cccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c2C1 ZINC000899765276 1041093046 /nfs/dbraw/zinc/09/30/46/1041093046.db2.gz CITPPFYRZCPFMQ-MRXNPFEDSA-N -1 1 346.471 3.878 20 0 EHADMM CCCc1nc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)co1 ZINC000759852177 1041155205 /nfs/dbraw/zinc/15/52/05/1041155205.db2.gz ZRILLZGNLTTXCM-UHFFFAOYSA-N -1 1 332.360 3.537 20 0 EHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000432210994 1041834222 /nfs/dbraw/zinc/83/42/22/1041834222.db2.gz SYPYYSYBZRQNBE-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)[nH]c(C3CC3)n2)cc1F ZINC000661658982 1042238054 /nfs/dbraw/zinc/23/80/54/1042238054.db2.gz ICZZQIROAYCQID-INIZCTEOSA-N -1 1 343.402 3.544 20 0 EHADMM O=C([N-]NC(=O)c1ccc(Cl)cc1)c1cc2ccc(F)cc2s1 ZINC000027771792 1042614871 /nfs/dbraw/zinc/61/48/71/1042614871.db2.gz WTQJLAPJNLMQFJ-UHFFFAOYSA-N -1 1 348.786 3.769 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](CCc2ccccc2)C1 ZINC000185571802 1042636119 /nfs/dbraw/zinc/63/61/19/1042636119.db2.gz YDYWWXDVPUGYIP-MRXNPFEDSA-N -1 1 345.826 3.519 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1F ZINC000185338137 1042714542 /nfs/dbraw/zinc/71/45/42/1042714542.db2.gz UQBXHVJLNRHEGD-UHFFFAOYSA-N -1 1 341.429 3.665 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c(Br)c1 ZINC000028195843 1043052412 /nfs/dbraw/zinc/05/24/12/1043052412.db2.gz UKDZTRSAGWTGMA-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM CNC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000051033729 1044065405 /nfs/dbraw/zinc/06/54/05/1044065405.db2.gz HICFXHHJJOEGSZ-UHFFFAOYSA-N -1 1 327.384 3.519 20 0 EHADMM CCn1nccc1C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000279593813 1044279747 /nfs/dbraw/zinc/27/97/47/1044279747.db2.gz VJSUFRDVMQMEAN-UHFFFAOYSA-N -1 1 349.434 3.782 20 0 EHADMM COc1cc(C(=O)N[C@@H](c2ncccc2C)C(C)C)cc(Cl)c1[O-] ZINC000153829690 1125665560 /nfs/dbraw/zinc/66/55/60/1125665560.db2.gz HQTRALOFRSNVIS-OAHLLOKOSA-N -1 1 348.830 3.885 20 0 EHADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(C4CC4)on3)s2)c1 ZINC000172241540 1126786126 /nfs/dbraw/zinc/78/61/26/1126786126.db2.gz BRANOKDFQJZOKQ-UHFFFAOYSA-N -1 1 340.408 3.940 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4ncccc4c3)no2)c1 ZINC000350567599 1127087025 /nfs/dbraw/zinc/08/70/25/1127087025.db2.gz IEOPXSWSFITNDA-UHFFFAOYSA-N -1 1 346.346 3.616 20 0 EHADMM COc1cc(F)cc(C[C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC001299247942 1127093661 /nfs/dbraw/zinc/09/36/61/1127093661.db2.gz VQUYWXSJHHKQNY-SNVBAGLBSA-N -1 1 337.778 3.554 20 0 EHADMM CCO[C@@H](C)c1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000350841835 1127107431 /nfs/dbraw/zinc/10/74/31/1127107431.db2.gz XAEKJCBKNDPLFF-QMMMGPOBSA-N -1 1 335.360 3.802 20 0 EHADMM CCOCc1nc(C)c(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000351095129 1127140882 /nfs/dbraw/zinc/14/08/82/1127140882.db2.gz NGYYIYHZABXONU-UHFFFAOYSA-N -1 1 335.360 3.550 20 0 EHADMM CO[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1Cl ZINC000764341841 1127483248 /nfs/dbraw/zinc/48/32/48/1127483248.db2.gz LNYPKSYMERTEKY-CQSZACIVSA-N -1 1 340.206 3.817 20 0 EHADMM CN(CCCOCc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000384290347 1127574526 /nfs/dbraw/zinc/57/45/26/1127574526.db2.gz UESNOSWOQJLJIT-UHFFFAOYSA-N -1 1 333.815 3.725 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)c1 ZINC000671662538 1127768507 /nfs/dbraw/zinc/76/85/07/1127768507.db2.gz OXIKFDSROINOOT-UHFFFAOYSA-N -1 1 345.420 3.540 20 0 EHADMM CC[C@H](c1ccccc1OC)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000347551002 1128068937 /nfs/dbraw/zinc/06/89/37/1128068937.db2.gz DHCQFYQTXXOSJC-CQSZACIVSA-N -1 1 343.452 3.989 20 0 EHADMM CCc1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3CC)CC2)cc1 ZINC000068453903 1128267401 /nfs/dbraw/zinc/26/74/01/1128267401.db2.gz JOOKNJGJNZUVOX-UHFFFAOYSA-N -1 1 344.484 3.543 20 0 EHADMM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1c([O-])cccc1Cl ZINC000765843961 1128546934 /nfs/dbraw/zinc/54/69/34/1128546934.db2.gz UQCQMYRLPKMAEZ-CZUORRHYSA-N -1 1 331.799 3.696 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1(c2cccc(F)c2)CC1 ZINC001687489492 1128780555 /nfs/dbraw/zinc/78/05/55/1128780555.db2.gz FXAXZGXNOAPIDW-UHFFFAOYSA-N -1 1 334.778 3.673 20 0 EHADMM CC(C)OCCCNc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001168682458 1128816054 /nfs/dbraw/zinc/81/60/54/1128816054.db2.gz REZXOOKHLYCASD-LBPRGKRZSA-N -1 1 332.366 3.653 20 0 EHADMM CCOc1cc(C)ccc1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001670439111 1120073608 /nfs/dbraw/zinc/07/36/08/1120073608.db2.gz AVMWCJTWFYGEIP-UHFFFAOYSA-N -1 1 348.830 3.752 20 0 EHADMM CCc1ccc(CNC(=O)c2cc(Br)ccc2[O-])s1 ZINC000225339562 1120316839 /nfs/dbraw/zinc/31/68/39/1120316839.db2.gz GGKCPUGQNQURNF-UHFFFAOYSA-N -1 1 340.242 3.709 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1OC ZINC000188902949 1120515930 /nfs/dbraw/zinc/51/59/30/1120515930.db2.gz KZYGYMCCQYKBJY-UHFFFAOYSA-N -1 1 335.425 3.628 20 0 EHADMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000494378367 1120546355 /nfs/dbraw/zinc/54/63/55/1120546355.db2.gz QKCWOSACWZATND-ZETCQYMHSA-N -1 1 349.296 3.503 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000494641233 1120711927 /nfs/dbraw/zinc/71/19/27/1120711927.db2.gz PKJLKMQDFXHEMU-UHFFFAOYSA-N -1 1 347.346 3.526 20 0 EHADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1C(=O)N(C)C ZINC000192220738 1120725693 /nfs/dbraw/zinc/72/56/93/1120725693.db2.gz SJCIJAQKWKUZRR-UHFFFAOYSA-N -1 1 347.802 3.700 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(F)c1 ZINC000195439045 1120784344 /nfs/dbraw/zinc/78/43/44/1120784344.db2.gz ZZFJQBABVKABHQ-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000195448730 1120784831 /nfs/dbraw/zinc/78/48/31/1120784831.db2.gz JLBJQNXFSPTXJJ-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)c2csc3ccccc23)n1 ZINC000194561858 1120848936 /nfs/dbraw/zinc/84/89/36/1120848936.db2.gz SMRNYIFEMMJALH-UHFFFAOYSA-N -1 1 330.434 3.522 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1 ZINC000194863458 1120866003 /nfs/dbraw/zinc/86/60/03/1120866003.db2.gz RYRSEKHBOADCPE-UHFFFAOYSA-N -1 1 336.463 3.819 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000615227039 1120896795 /nfs/dbraw/zinc/89/67/95/1120896795.db2.gz OIDUXGONQBMGCN-UHFFFAOYSA-N -1 1 333.819 3.918 20 0 EHADMM Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000495021127 1120934265 /nfs/dbraw/zinc/93/42/65/1120934265.db2.gz XKYDWZMVIYEDRK-UHFFFAOYSA-N -1 1 347.418 3.815 20 0 EHADMM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000230144136 1120997756 /nfs/dbraw/zinc/99/77/56/1120997756.db2.gz RTZIZKXEJNVARK-SNVBAGLBSA-N -1 1 326.234 3.663 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C(C)C)n2)c1 ZINC000762046033 1121073154 /nfs/dbraw/zinc/07/31/54/1121073154.db2.gz OKXNFOIDILFNKZ-UHFFFAOYSA-N -1 1 327.380 3.513 20 0 EHADMM CCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000915175399 1121231230 /nfs/dbraw/zinc/23/12/30/1121231230.db2.gz GOKKEUBCEDEFDF-UHFFFAOYSA-N -1 1 334.375 3.547 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1F ZINC000055678465 1121855359 /nfs/dbraw/zinc/85/53/59/1121855359.db2.gz KMELTGNMXYFHFS-UHFFFAOYSA-N -1 1 329.418 3.704 20 0 EHADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000326469788 1121950447 /nfs/dbraw/zinc/95/04/47/1121950447.db2.gz CUIJSFYCJYKRIT-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000128300607 1122553754 /nfs/dbraw/zinc/55/37/54/1122553754.db2.gz BNBZWRUWBQHMEC-UHFFFAOYSA-N -1 1 338.338 3.895 20 0 EHADMM Cc1c(=O)[n-]c(SC[C@H]2C[C@@]23CCOC3)nc1-c1ccccc1 ZINC000917468499 1122615698 /nfs/dbraw/zinc/61/56/98/1122615698.db2.gz NEPIRRBXQOFKAU-RDTXWAMCSA-N -1 1 328.437 3.676 20 0 EHADMM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1cscc1C(F)F ZINC000917719077 1122667528 /nfs/dbraw/zinc/66/75/28/1122667528.db2.gz NDNRVMIWTAEEHE-UHFFFAOYSA-N -1 1 333.372 3.645 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCc2c1cccc2C(F)(F)F ZINC000128957439 1122704280 /nfs/dbraw/zinc/70/42/80/1122704280.db2.gz JROQHPOWILAZML-UHFFFAOYSA-N -1 1 325.261 3.753 20 0 EHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000075082527 1123361027 /nfs/dbraw/zinc/36/10/27/1123361027.db2.gz PCMQIOQSNBMSTP-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1Cl ZINC000135915276 1123653496 /nfs/dbraw/zinc/65/34/96/1123653496.db2.gz XJLZRMUFDSZGOY-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM CCC1(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)CCC1 ZINC000175459232 1123685720 /nfs/dbraw/zinc/68/57/20/1123685720.db2.gz HDGOOXRQHIYRBW-UHFFFAOYSA-N -1 1 344.484 3.755 20 0 EHADMM C/C=C(\C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000175650472 1123730524 /nfs/dbraw/zinc/73/05/24/1123730524.db2.gz LGTQWHWONZBYDQ-YIXHJXPBSA-N -1 1 344.436 3.701 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1 ZINC000080326506 1123751846 /nfs/dbraw/zinc/75/18/46/1123751846.db2.gz KLXKGILSIYYGAG-UHFFFAOYSA-N -1 1 328.393 3.814 20 0 EHADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000616333072 1123985273 /nfs/dbraw/zinc/98/52/73/1123985273.db2.gz SPPAHGUEVCDDLK-IUODEOHRSA-N -1 1 337.395 3.714 20 0 EHADMM Cc1cc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc(C)c1F ZINC000564391830 1124736418 /nfs/dbraw/zinc/73/64/18/1124736418.db2.gz MGSHQGJITZYQDZ-UHFFFAOYSA-N -1 1 342.342 3.851 20 0 EHADMM CCOC(=O)c1nc(NC(=O)c2oc3ccc(Cl)cc3c2C)c[n-]1 ZINC000617873625 1124816823 /nfs/dbraw/zinc/81/68/23/1124816823.db2.gz GNTPSWVWWJCSSK-UHFFFAOYSA-N -1 1 347.758 3.547 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000618185157 1125020024 /nfs/dbraw/zinc/02/00/24/1125020024.db2.gz MTMPBRGEROEYPO-HNNXBMFYSA-N -1 1 345.487 3.831 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000069790495 1125058533 /nfs/dbraw/zinc/05/85/33/1125058533.db2.gz LNWRMNRZKKILHH-QGZVFWFLSA-N -1 1 346.500 3.715 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC([C@@H]2CCCCO2)CC1 ZINC000619168827 1125299937 /nfs/dbraw/zinc/29/99/37/1125299937.db2.gz GAQZLPSNTPRNKU-IBGZPJMESA-N -1 1 339.435 3.967 20 0 EHADMM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CC1(Cl)Cl ZINC000182766529 1125363775 /nfs/dbraw/zinc/36/37/75/1125363775.db2.gz QRJJXKVXSGAODL-CDUCUWFYSA-N -1 1 348.098 3.878 20 0 EHADMM CCOc1cc(C(=O)N2CCOc3cc(C)ccc32)cc(Cl)c1[O-] ZINC000186833615 1129851822 /nfs/dbraw/zinc/85/18/22/1129851822.db2.gz RMVJHFWSYGGBGZ-UHFFFAOYSA-N -1 1 347.798 3.792 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000509203386 1129970247 /nfs/dbraw/zinc/97/02/47/1129970247.db2.gz PZUGRXNPLBETEH-UHFFFAOYSA-N -1 1 347.362 3.661 20 0 EHADMM Cc1conc1[N-]C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001128827330 1130195145 /nfs/dbraw/zinc/19/51/45/1130195145.db2.gz SMFHQXPLXSQKMB-UHFFFAOYSA-N -1 1 348.156 3.653 20 0 EHADMM CC(C)(C)c1nnc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000730360598 1130703197 /nfs/dbraw/zinc/70/31/97/1130703197.db2.gz YNBCXBHOYWBEQS-UHFFFAOYSA-N -1 1 345.182 3.737 20 0 EHADMM O=C([N-]c1nc2ccccc2c(=O)[nH]1)C(F)(F)c1cccc(Cl)c1 ZINC000731414111 1130797431 /nfs/dbraw/zinc/79/74/31/1130797431.db2.gz PSLIFDFHSQXATA-UHFFFAOYSA-N -1 1 349.724 3.719 20 0 EHADMM CSCc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000731596441 1130820079 /nfs/dbraw/zinc/82/00/79/1130820079.db2.gz JMDSVRLQEUFDAU-UHFFFAOYSA-N -1 1 344.461 3.899 20 0 EHADMM Cc1ccnc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])c1 ZINC000740921554 1131558752 /nfs/dbraw/zinc/55/87/52/1131558752.db2.gz UEEOWQGGSXVMCS-UHFFFAOYSA-N -1 1 343.383 3.695 20 0 EHADMM CCC/C=C\C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000741664436 1131633248 /nfs/dbraw/zinc/63/32/48/1131633248.db2.gz FYRSOTMAILZMKY-YHYXMXQVSA-N -1 1 344.436 3.782 20 0 EHADMM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000742329472 1131706647 /nfs/dbraw/zinc/70/66/47/1131706647.db2.gz PHHMGUPSISRRNM-BQBZGAKWSA-N -1 1 346.326 3.617 20 0 EHADMM Fc1ccc(Cl)cc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212688757 1131894282 /nfs/dbraw/zinc/89/42/82/1131894282.db2.gz SLTMXPLXZLSFSS-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Fc1ccc(Cl)cc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212688757 1131894290 /nfs/dbraw/zinc/89/42/90/1131894290.db2.gz SLTMXPLXZLSFSS-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Cc1cccc(-c2noc(-c3ccncc3[O-])n2)c1Br ZINC001212721217 1132055547 /nfs/dbraw/zinc/05/55/47/1132055547.db2.gz DPFDSABNVIZPOT-UHFFFAOYSA-N -1 1 332.157 3.575 20 0 EHADMM COc1cc(C(F)(F)F)ccc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721437 1132057575 /nfs/dbraw/zinc/05/75/75/1132057575.db2.gz QMVUWKGVBSHDOZ-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000744532920 1132118115 /nfs/dbraw/zinc/11/81/15/1132118115.db2.gz FHETXGZEGPBERB-MSOLQXFVSA-N -1 1 342.366 3.623 20 0 EHADMM CSc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1 ZINC000744575830 1132125061 /nfs/dbraw/zinc/12/50/61/1132125061.db2.gz CQQJEAVWZVKPOP-UHFFFAOYSA-N -1 1 330.405 3.716 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2cc3ccccc3o2)c1 ZINC000744856456 1132157568 /nfs/dbraw/zinc/15/75/68/1132157568.db2.gz LAUSICJMVNUECU-UHFFFAOYSA-N -1 1 338.359 3.669 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C(C)c2cccc(F)c2)c1 ZINC000745003334 1132178983 /nfs/dbraw/zinc/17/89/83/1132178983.db2.gz FLDQCLYNIIWBIO-RAXLEYEMSA-N -1 1 342.366 3.923 20 0 EHADMM COc1ccc2cc([N-]S(=O)(=O)c3cc(N)ccc3C)ccc2c1 ZINC001174032246 1132220233 /nfs/dbraw/zinc/22/02/33/1132220233.db2.gz OBKYCPYEYWBHFD-UHFFFAOYSA-N -1 1 342.420 3.540 20 0 EHADMM CCN(CC)C(=O)c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001174165362 1132262486 /nfs/dbraw/zinc/26/24/86/1132262486.db2.gz ZXZUHOHAOFNTQK-UHFFFAOYSA-N -1 1 326.356 3.555 20 0 EHADMM CCOc1c(F)cccc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000745688687 1132300821 /nfs/dbraw/zinc/30/08/21/1132300821.db2.gz MKMDJSYTONZDFT-UHFFFAOYSA-N -1 1 346.354 3.532 20 0 EHADMM Nc1ccc2c(c1)c(Br)nn2-c1ccc(Cl)c([O-])c1 ZINC001212593120 1132807305 /nfs/dbraw/zinc/80/73/05/1132807305.db2.gz DMJGFMFBKWEXIR-UHFFFAOYSA-N -1 1 338.592 3.729 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1N ZINC001176205867 1132872481 /nfs/dbraw/zinc/87/24/81/1132872481.db2.gz LMNNSMIFNCVHDW-UHFFFAOYSA-N -1 1 348.321 3.536 20 0 EHADMM O=C(OCc1coc(-c2c(F)cccc2F)n1)c1ccc([O-])cc1F ZINC000773569245 1132921607 /nfs/dbraw/zinc/92/16/07/1132921607.db2.gz KVKAIIFKBIHXAN-UHFFFAOYSA-N -1 1 349.264 3.822 20 0 EHADMM CCOC(=O)Cc1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673500 1132979537 /nfs/dbraw/zinc/97/95/37/1132979537.db2.gz IKFVLXMLJRXCRF-UHFFFAOYSA-N -1 1 325.286 3.659 20 0 EHADMM COC(=O)c1ccc(F)c(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176671632 1132979859 /nfs/dbraw/zinc/97/98/59/1132979859.db2.gz KPUHBIRKJPCXGM-UHFFFAOYSA-N -1 1 333.212 3.618 20 0 EHADMM CC1(C)CNC(=O)c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc21 ZINC001176674182 1132980271 /nfs/dbraw/zinc/98/02/71/1132980271.db2.gz RRSDMUAGPAHSMR-UHFFFAOYSA-N -1 1 336.313 3.574 20 0 EHADMM CCOC(=O)Cc1ccc(F)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176674136 1132980718 /nfs/dbraw/zinc/98/07/18/1132980718.db2.gz RCMULOVUNVIUHC-UHFFFAOYSA-N -1 1 343.276 3.798 20 0 EHADMM COc1nscc1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC001176768975 1133000082 /nfs/dbraw/zinc/00/00/82/1133000082.db2.gz UBOYCOABNWXKQF-UHFFFAOYSA-N -1 1 338.257 3.701 20 0 EHADMM O=C(NCCc1ccc(Cl)c(Cl)c1)c1cccc([O-])c1F ZINC001177471077 1133065667 /nfs/dbraw/zinc/06/56/67/1133065667.db2.gz MADXGSGYTXOJCN-UHFFFAOYSA-N -1 1 328.170 3.811 20 0 EHADMM O=C(CCCCc1cccs1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001177484476 1133068877 /nfs/dbraw/zinc/06/88/77/1133068877.db2.gz MQYKJDGESCGJKY-UHFFFAOYSA-N -1 1 341.436 3.991 20 0 EHADMM C/C(=C\c1c(Cl)cccc1Cl)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000767930981 1133072386 /nfs/dbraw/zinc/07/23/86/1133072386.db2.gz HYQRBOGVNZYPCT-ATWMFIQVSA-N -1 1 330.211 3.971 20 0 EHADMM C/C(=C/c1c(Cl)cccc1Cl)C(=O)[N-]O[C@H]1CCCCO1 ZINC000767930984 1133072785 /nfs/dbraw/zinc/07/27/85/1133072785.db2.gz HYQRBOGVNZYPCT-CMUBDUJZSA-N -1 1 330.211 3.971 20 0 EHADMM C[C@H](CCCc1ccccc1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784714 1133198208 /nfs/dbraw/zinc/19/82/08/1133198208.db2.gz CQLSXFHCXDLDPW-CQSZACIVSA-N -1 1 347.405 3.988 20 0 EHADMM CC1(C)CCC[C@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000149999955 1133238842 /nfs/dbraw/zinc/23/88/42/1133238842.db2.gz FNSMXDNASBACKN-NSHDSACASA-N -1 1 326.234 3.853 20 0 EHADMM O=C(/C=C\C1CCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000769283464 1133254087 /nfs/dbraw/zinc/25/40/87/1133254087.db2.gz WHWDJEXYLIFHBF-WDZFZDKYSA-N -1 1 341.451 3.950 20 0 EHADMM O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1cc(F)c([O-])cc1Cl ZINC001179660366 1133268542 /nfs/dbraw/zinc/26/85/42/1133268542.db2.gz RDLGASOOYKQGEK-ZDUSSCGKSA-N -1 1 344.169 3.900 20 0 EHADMM CCOc1cc(C(=O)NC2(C)C(C)(C)C2(C)C)cc(Cl)c1[O-] ZINC001179990878 1133311217 /nfs/dbraw/zinc/31/12/17/1133311217.db2.gz LHURIGWMHWPWPU-UHFFFAOYSA-N -1 1 325.836 3.999 20 0 EHADMM O=C(C[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl)c1ccco1 ZINC000769982349 1133372630 /nfs/dbraw/zinc/37/26/30/1133372630.db2.gz FCPKJDSHQUNFQP-NSHDSACASA-N -1 1 333.771 3.516 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)C1(C(F)(F)F)CCCC1 ZINC001180476237 1133374229 /nfs/dbraw/zinc/37/42/29/1133374229.db2.gz RVCXTDLICIOVRG-UHFFFAOYSA-N -1 1 339.317 3.639 20 0 EHADMM Cc1ccsc1-c1nsc([N-]C(=O)c2ncoc2C(C)C)n1 ZINC000770106878 1133387259 /nfs/dbraw/zinc/38/72/59/1133387259.db2.gz WMEAWWOGYPMUGL-UHFFFAOYSA-N -1 1 334.426 3.939 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N(Cc1ccco1)Cc1cccnc1 ZINC000770122803 1133390330 /nfs/dbraw/zinc/39/03/30/1133390330.db2.gz XBTBQSJRXFEAFP-UHFFFAOYSA-N -1 1 342.782 3.876 20 0 EHADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1cc(F)ccc1N(C)C ZINC001181680812 1133513461 /nfs/dbraw/zinc/51/34/61/1133513461.db2.gz UEDAAKHWDJAWEB-SNVBAGLBSA-N -1 1 336.794 3.742 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2c(Cl)nc3sccn32)no1 ZINC000771306444 1133537735 /nfs/dbraw/zinc/53/77/35/1133537735.db2.gz LCKMXFZHFDYABE-UHFFFAOYSA-N -1 1 336.735 3.611 20 0 EHADMM COc1cc2c(cc1Cl)CN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001182088560 1133574822 /nfs/dbraw/zinc/57/48/22/1133574822.db2.gz VBJWSJJXKMGESY-UHFFFAOYSA-N -1 1 339.769 3.891 20 0 EHADMM COCc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000774096564 1133608151 /nfs/dbraw/zinc/60/81/51/1133608151.db2.gz OLQHDASDOPTFPO-UHFFFAOYSA-N -1 1 325.286 3.810 20 0 EHADMM CC(C)(C)OC(=O)C1(C)CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001182544678 1133699763 /nfs/dbraw/zinc/69/97/63/1133699763.db2.gz SVDPOQLZOFYPEX-UHFFFAOYSA-N -1 1 341.398 3.614 20 0 EHADMM Cc1c(Br)csc1C(=O)Nc1ccc(F)cc1[O-] ZINC001183054085 1133764234 /nfs/dbraw/zinc/76/42/34/1133764234.db2.gz FAVFVBKRVKZISR-UHFFFAOYSA-N -1 1 330.178 3.916 20 0 EHADMM O=C(Cc1coc2c1ccc(F)c2F)Nc1nc(Cl)ccc1[O-] ZINC001183218827 1133779917 /nfs/dbraw/zinc/77/99/17/1133779917.db2.gz ONCVFNHXJRCQBB-UHFFFAOYSA-N -1 1 338.697 3.646 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000786098682 1133800336 /nfs/dbraw/zinc/80/03/36/1133800336.db2.gz CLPNMLQAGIYOCM-UHFFFAOYSA-N -1 1 345.464 3.555 20 0 EHADMM Cc1cccc(C2(CC(=O)Nc3n[n-]c(C(F)(F)F)n3)CCC2)c1 ZINC001185079344 1134032925 /nfs/dbraw/zinc/03/29/25/1134032925.db2.gz KZXDJAQMZDGVET-UHFFFAOYSA-N -1 1 338.333 3.582 20 0 EHADMM O=S(=O)([N-]c1ccc(C(F)(F)F)c(F)c1F)c1ccsc1 ZINC001185390111 1134077526 /nfs/dbraw/zinc/07/75/26/1134077526.db2.gz CPQHPVZTXWDIPQ-UHFFFAOYSA-N -1 1 343.298 3.846 20 0 EHADMM COC(=O)C(=Cc1ccc([O-])c(Cl)c1)c1ccc2cc[nH]c2n1 ZINC000788096946 1134080160 /nfs/dbraw/zinc/08/01/60/1134080160.db2.gz DGZMGJVWLINZGI-XYOKQWHBSA-N -1 1 328.755 3.636 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)c1Cl ZINC000788204380 1134094413 /nfs/dbraw/zinc/09/44/13/1134094413.db2.gz AWOSTUCTTDCYLV-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM COC(=O)c1c[n-]c(SCCCc2ccc(C(F)(F)F)cc2)n1 ZINC000788504367 1134133719 /nfs/dbraw/zinc/13/37/19/1134133719.db2.gz FDQOZYPOQIRSSB-UHFFFAOYSA-N -1 1 344.358 3.940 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1-c1cccnc1 ZINC001185836170 1134139201 /nfs/dbraw/zinc/13/92/01/1134139201.db2.gz FQPGQJADOYIJOO-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2cccnc2)c1 ZINC001185824663 1134142160 /nfs/dbraw/zinc/14/21/60/1134142160.db2.gz BPRCSDSDQSVDHX-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1cc2cc(F)ccc2o1 ZINC001185855360 1134144390 /nfs/dbraw/zinc/14/43/90/1134144390.db2.gz TZJLWMGVPXNSLT-HNNXBMFYSA-N -1 1 349.358 3.677 20 0 EHADMM O=S(=O)([N-]c1ccc2cc(F)ccc2c1)c1ccc2n[nH]cc2c1 ZINC001185991685 1134153942 /nfs/dbraw/zinc/15/39/42/1134153942.db2.gz WTENHDKHSKNZRE-UHFFFAOYSA-N -1 1 341.367 3.656 20 0 EHADMM COC(=O)c1c(Cl)nccc1Nc1c(F)ccc([O-])c1Cl ZINC001250228433 1134171010 /nfs/dbraw/zinc/17/10/10/1134171010.db2.gz AUGVAEQLUASDML-UHFFFAOYSA-N -1 1 331.130 3.763 20 0 EHADMM COc1cc(C(F)(F)F)ccc1NC(=O)c1ccc([O-])cc1F ZINC001186328797 1134195553 /nfs/dbraw/zinc/19/55/53/1134195553.db2.gz KCFCVGDZLCNYNO-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001187130893 1134301741 /nfs/dbraw/zinc/30/17/41/1134301741.db2.gz WAPFQDNFTANUHE-HTQZYQBOSA-N -1 1 328.236 3.845 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(F)c1 ZINC001187173613 1134311101 /nfs/dbraw/zinc/31/11/01/1134311101.db2.gz HKHHRNIMILAPGP-UHFFFAOYSA-N -1 1 341.429 3.575 20 0 EHADMM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC001187242104 1134312940 /nfs/dbraw/zinc/31/29/40/1134312940.db2.gz UOVAWFASKQRDNK-CYBMUJFWSA-N -1 1 339.407 3.664 20 0 EHADMM Cc1cc(Br)ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930318 1134345156 /nfs/dbraw/zinc/34/51/56/1134345156.db2.gz UOCFILJIXVSNSL-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)CCc2cccc3ccccc32)nc1 ZINC001187607694 1134355656 /nfs/dbraw/zinc/35/56/56/1134355656.db2.gz FHDPOUZQTUAYHJ-UHFFFAOYSA-N -1 1 326.421 3.528 20 0 EHADMM Cc1ccc(Br)cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790056926 1134366537 /nfs/dbraw/zinc/36/65/37/1134366537.db2.gz QEHQCLKAZMNCNM-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(C(=S)Nc2ccsc2)CC1 ZINC000790304365 1134399743 /nfs/dbraw/zinc/39/97/43/1134399743.db2.gz DYIOCHVSJABROJ-UHFFFAOYSA-N -1 1 346.477 3.745 20 0 EHADMM CC(C)=CCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000791003793 1134491792 /nfs/dbraw/zinc/49/17/92/1134491792.db2.gz IGOXURBDFJBFSB-UHFFFAOYSA-N -1 1 334.416 3.825 20 0 EHADMM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ccccc1C(F)F ZINC001189454123 1134590100 /nfs/dbraw/zinc/59/01/00/1134590100.db2.gz ITOWCASKPXQRCS-UHFFFAOYSA-N -1 1 333.306 3.844 20 0 EHADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)nc2Cl)c1 ZINC001189577117 1134602555 /nfs/dbraw/zinc/60/25/55/1134602555.db2.gz LVYUTWJSDFXPLN-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(C)cc2F)c1 ZINC001189609784 1134606392 /nfs/dbraw/zinc/60/63/92/1134606392.db2.gz RJDXJODGHQNYOH-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM CC(=O)c1cccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)c1C ZINC001190268998 1134675158 /nfs/dbraw/zinc/67/51/58/1134675158.db2.gz AGCVHSYFJRWZQQ-UHFFFAOYSA-N -1 1 347.374 3.613 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1F ZINC001190411515 1134696103 /nfs/dbraw/zinc/69/61/03/1134696103.db2.gz WSLPWPXVYRUXKA-ZDUSSCGKSA-N -1 1 347.333 3.673 20 0 EHADMM O=S(=O)([N-]c1ccccc1-n1cccn1)c1ccc(C2CC2)cc1 ZINC001190497466 1134714263 /nfs/dbraw/zinc/71/42/63/1134714263.db2.gz KCIPQCWGFCESRK-UHFFFAOYSA-N -1 1 339.420 3.551 20 0 EHADMM Cc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)nc2c1cccc2C(C)C ZINC001170227467 1134723713 /nfs/dbraw/zinc/72/37/13/1134723713.db2.gz NYPMQGYUDWRVGX-UHFFFAOYSA-N -1 1 334.383 3.782 20 0 EHADMM COc1cc(C(=O)Nc2cnc3ccc(O)cc3c2)cc(Cl)c1[O-] ZINC001191129918 1134795581 /nfs/dbraw/zinc/79/55/81/1134795581.db2.gz ZTABOGMVKIAALJ-UHFFFAOYSA-N -1 1 344.754 3.560 20 0 EHADMM COc1cc(C(=O)Nc2cccc3c(=O)[nH]ccc23)cc(Cl)c1[O-] ZINC001191146183 1134812616 /nfs/dbraw/zinc/81/26/16/1134812616.db2.gz BZPSIYAZIZVPIF-UHFFFAOYSA-N -1 1 344.754 3.560 20 0 EHADMM Cc1nc(C(=O)[N-]c2sc(C)c(C)c2C(=O)c2ccccc2)no1 ZINC001191990549 1134949117 /nfs/dbraw/zinc/94/91/17/1134949117.db2.gz QVSRAIOFFNDHAP-UHFFFAOYSA-N -1 1 341.392 3.540 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC001192286634 1134993847 /nfs/dbraw/zinc/99/38/47/1134993847.db2.gz SOPQQOBVHJERJU-UHFFFAOYSA-N -1 1 341.835 3.735 20 0 EHADMM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC001192355994 1135004469 /nfs/dbraw/zinc/00/44/69/1135004469.db2.gz MQSAKQKWYBUZJW-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)n(-c2ccccc2F)n1 ZINC001192523578 1135026993 /nfs/dbraw/zinc/02/69/93/1135026993.db2.gz CUOQDXGZFRHZOO-UHFFFAOYSA-N -1 1 347.296 3.556 20 0 EHADMM COc1cc(OC)c(NC(=O)c2cc([O-])cc(F)c2F)cc1Cl ZINC001192652289 1135040271 /nfs/dbraw/zinc/04/02/71/1135040271.db2.gz YNBSFOFDTVKENZ-UHFFFAOYSA-N -1 1 343.713 3.593 20 0 EHADMM CSc1cccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1C ZINC000775587725 1135120844 /nfs/dbraw/zinc/12/08/44/1135120844.db2.gz DSNGTUVUAYEXNQ-UHFFFAOYSA-N -1 1 331.441 3.897 20 0 EHADMM CCCc1sc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1CC ZINC001129757625 1135151389 /nfs/dbraw/zinc/15/13/89/1135151389.db2.gz ISKQMRSZGMLAPQ-UHFFFAOYSA-N -1 1 345.468 3.890 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c1 ZINC001193757188 1135182703 /nfs/dbraw/zinc/18/27/03/1135182703.db2.gz QBBXQRRBXZRJOY-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM C[C@@H](O)c1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1F ZINC000804798202 1135194090 /nfs/dbraw/zinc/19/40/90/1135194090.db2.gz ROOYEYXOARGKMU-LLVKDONJSA-N -1 1 325.339 3.990 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC001194638710 1135295459 /nfs/dbraw/zinc/29/54/59/1135295459.db2.gz MDQGBQHAUAOTNV-UHFFFAOYSA-N -1 1 327.405 3.963 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3nnsc3c2)c1 ZINC001195159930 1135384716 /nfs/dbraw/zinc/38/47/16/1135384716.db2.gz XFEGJEDFVIYYLO-UHFFFAOYSA-N -1 1 333.438 3.616 20 0 EHADMM O=C([N-]c1nnc(-c2ccco2)o1)c1sccc1C(F)(F)F ZINC001195206223 1135392389 /nfs/dbraw/zinc/39/23/89/1135392389.db2.gz JFRHHDZIHDTVDK-UHFFFAOYSA-N -1 1 329.259 3.662 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCC(C)(C)c1ccccc1 ZINC000747366135 1135507978 /nfs/dbraw/zinc/50/79/78/1135507978.db2.gz URPPQTDELBNCHQ-UHFFFAOYSA-N -1 1 341.455 3.712 20 0 EHADMM O=S(=O)([N-]c1cnccc1F)c1ccc2cc(Cl)ccc2c1 ZINC001196421044 1135561450 /nfs/dbraw/zinc/56/14/50/1135561450.db2.gz YXIGPQDKINDEFH-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cnc3ccsc3c2)c(C)c1 ZINC001196857612 1135623704 /nfs/dbraw/zinc/62/37/04/1135623704.db2.gz JHFXPPOORVKHSZ-UHFFFAOYSA-N -1 1 348.449 3.723 20 0 EHADMM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]C1(C(F)F)CCCC1 ZINC000808346477 1135652134 /nfs/dbraw/zinc/65/21/34/1135652134.db2.gz BDZAKDDWJDVYBP-TWGQIWQCSA-N -1 1 335.803 3.808 20 0 EHADMM COc1cccc(CS(=O)(=O)[N-]c2cc3ccccc3s2)c1 ZINC001197347110 1135676196 /nfs/dbraw/zinc/67/61/96/1135676196.db2.gz IYRXLFZKYKPDQK-UHFFFAOYSA-N -1 1 333.434 3.852 20 0 EHADMM CCC(CC)Oc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC001198320818 1135800462 /nfs/dbraw/zinc/80/04/62/1135800462.db2.gz CUBNHBBMTSLRFN-UHFFFAOYSA-N -1 1 334.441 3.758 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3cncc(C)c32)c(C)c1 ZINC001198943772 1135871736 /nfs/dbraw/zinc/87/17/36/1135871736.db2.gz PQVVMJUGEJBJOW-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM CC(C)(CO)[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000747617614 1135984086 /nfs/dbraw/zinc/98/40/86/1135984086.db2.gz SEYZISZSIDXLMG-CQSZACIVSA-N -1 1 347.842 3.578 20 0 EHADMM CON(Cc1ccccc1Cl)C(=O)c1cc(Cl)ccc1[O-] ZINC000812423301 1136205978 /nfs/dbraw/zinc/20/59/78/1136205978.db2.gz PWWPSMCOXAFTBI-UHFFFAOYSA-N -1 1 326.179 3.903 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000747859610 1136345563 /nfs/dbraw/zinc/34/55/63/1136345563.db2.gz VBAQSYLTTYLKEX-ZHACJKMWSA-N -1 1 338.816 3.546 20 0 EHADMM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111668710 1136569841 /nfs/dbraw/zinc/56/98/41/1136569841.db2.gz XHLVAAZXDBQYHS-IINYFYTJSA-N -1 1 344.798 3.892 20 0 EHADMM CC(C)CCc1nnc([N-]C(=O)c2nc(Cl)ccc2F)s1 ZINC000855190517 1136675634 /nfs/dbraw/zinc/67/56/34/1136675634.db2.gz YFTAAENXGJDCKW-UHFFFAOYSA-N -1 1 328.800 3.567 20 0 EHADMM O=c1cc(CSc2nc3ccccc3o2)c2ccc([O-])cc2o1 ZINC000010963185 1136783518 /nfs/dbraw/zinc/78/35/18/1136783518.db2.gz LXUBGMOUWWXQJS-UHFFFAOYSA-N -1 1 325.345 3.932 20 0 EHADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cn(C)nc2Cl)cc1 ZINC000856722577 1136802823 /nfs/dbraw/zinc/80/28/23/1136802823.db2.gz NPMQCZWNUFMALR-OAHLLOKOSA-N -1 1 335.835 3.503 20 0 EHADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C2CC2)n1 ZINC001136190525 1136916880 /nfs/dbraw/zinc/91/68/80/1136916880.db2.gz HWKVMXQSFNKMEA-UHFFFAOYSA-N -1 1 334.379 3.615 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2cc(NC(C)=O)ccc2C)c1 ZINC001136237827 1136952734 /nfs/dbraw/zinc/95/27/34/1136952734.db2.gz QCWKMQBGCDMKGD-UHFFFAOYSA-N -1 1 330.409 3.633 20 0 EHADMM O=c1nc(NCCCO[C@@H]2CCCc3ccccc32)cc(Cl)[n-]1 ZINC000858411581 1136965427 /nfs/dbraw/zinc/96/54/27/1136965427.db2.gz OQIPXAULXWJEJI-CQSZACIVSA-N -1 1 333.819 3.732 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cnc1Cl ZINC000117227494 1137045343 /nfs/dbraw/zinc/04/53/43/1137045343.db2.gz DRTVYCPJYDFKJY-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000860315621 1137054652 /nfs/dbraw/zinc/05/46/52/1137054652.db2.gz PNTRVUQHOMZHKX-JTQLQIEISA-N -1 1 342.823 3.630 20 0 EHADMM CC(=O)N(Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1)C(C)C ZINC001136751335 1137106894 /nfs/dbraw/zinc/10/68/94/1137106894.db2.gz DGSMYIQJAHBMAR-UHFFFAOYSA-N -1 1 344.386 3.541 20 0 EHADMM CSc1ncc(C(=O)N[C@@H](CC(C)C)c2ccccc2C)c(=O)[n-]1 ZINC001136769781 1137112104 /nfs/dbraw/zinc/11/21/04/1137112104.db2.gz ZHPMIKUUJUXMOG-HNNXBMFYSA-N -1 1 345.468 3.730 20 0 EHADMM C[C@@H]1SCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)[C@H]1C ZINC000118383660 1137113237 /nfs/dbraw/zinc/11/32/37/1137113237.db2.gz RIUOWLHUZYDUMM-STQMWFEESA-N -1 1 340.562 3.847 20 0 EHADMM O=C(NC[C@@]1(Cc2ccccc2)C=CCCC1)C(=O)c1ccc([O-])cc1 ZINC001171034087 1137115584 /nfs/dbraw/zinc/11/55/84/1137115584.db2.gz KMWOVWRNPIQPCY-QFIPXVFZSA-N -1 1 349.430 3.660 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1CC(C)C ZINC000862369467 1137141061 /nfs/dbraw/zinc/14/10/61/1137141061.db2.gz UQJNRCYYWUFEDK-UHFFFAOYSA-N -1 1 341.455 3.743 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000825011854 1137159733 /nfs/dbraw/zinc/15/97/33/1137159733.db2.gz ZZFCWGNUVCALQM-CFVMTHIKSA-N -1 1 326.362 3.774 20 0 EHADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ncc3ccccc3c2[O-])c1 ZINC001137035147 1137177553 /nfs/dbraw/zinc/17/75/53/1137177553.db2.gz LWBSANDDOFMZBE-OAHLLOKOSA-N -1 1 334.419 3.918 20 0 EHADMM Cc1ccc([C@H](C)C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC001144442656 1137294342 /nfs/dbraw/zinc/29/43/42/1137294342.db2.gz MFBHAEFJFCNUOH-JTQLQIEISA-N -1 1 335.201 3.600 20 0 EHADMM Cc1ccc([C@@]2(C)CN(Cc3cc(F)c([O-])cc3F)CCO2)cc1 ZINC001144657706 1137323597 /nfs/dbraw/zinc/32/35/97/1137323597.db2.gz FFLSGAIHMOFIHF-LJQANCHMSA-N -1 1 333.378 3.726 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@](C)(O)c1ccccc1 ZINC001144682947 1137329175 /nfs/dbraw/zinc/32/91/75/1137329175.db2.gz LCTMLQIBJIYHDB-SZNDQCEHSA-N -1 1 335.403 3.571 20 0 EHADMM CCCN(C(=O)c1ncc(C)cc1[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001147204352 1137402237 /nfs/dbraw/zinc/40/22/37/1137402237.db2.gz MROHCRZRAASYNF-DLBZAZTESA-N -1 1 346.471 3.686 20 0 EHADMM Cc1ccccc1-c1cccc(NC(=O)c2c(CO)cnc(C)c2[O-])c1 ZINC001147841005 1137413593 /nfs/dbraw/zinc/41/35/93/1137413593.db2.gz MSJZNZQMITVHSJ-UHFFFAOYSA-N -1 1 348.402 3.816 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)[n-]1 ZINC001148339670 1137422718 /nfs/dbraw/zinc/42/27/18/1137422718.db2.gz FGPFKSWCNGFGTC-OAHLLOKOSA-N -1 1 349.434 3.550 20 0 EHADMM O=C(Nc1cc(-c2ccncc2)no1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148795073 1137435136 /nfs/dbraw/zinc/43/51/36/1137435136.db2.gz SBAYMHUAQUAPFM-UHFFFAOYSA-N -1 1 349.268 3.713 20 0 EHADMM O=C(Nc1cccc2nccnc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001148801119 1137435249 /nfs/dbraw/zinc/43/52/49/1137435249.db2.gz SQLLSDGXNURAOI-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM O=C(N[C@@H]1CCCc2cnccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001148805537 1137435283 /nfs/dbraw/zinc/43/52/83/1137435283.db2.gz BFUOJEXNZVIZEM-CQSZACIVSA-N -1 1 336.313 3.613 20 0 EHADMM O=C(Nc1ccc2ncncc2c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800935 1137435394 /nfs/dbraw/zinc/43/53/94/1137435394.db2.gz OMKLZJAPACFFCV-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM C[C@]1(CO)CCCN(C(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148867239 1137436773 /nfs/dbraw/zinc/43/67/73/1137436773.db2.gz MUCDFOYOIZLZFR-NRFANRHFSA-N -1 1 339.435 3.684 20 0 EHADMM CCC1(NC(=O)c2cc([O-])c(Br)c(O)c2)CCCCC1 ZINC001148995290 1137438884 /nfs/dbraw/zinc/43/88/84/1137438884.db2.gz CRPSQWWCFBBQQP-UHFFFAOYSA-N -1 1 342.233 3.703 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCC[C@@H]1CC1(Cl)Cl ZINC000869162128 1137439332 /nfs/dbraw/zinc/43/93/32/1137439332.db2.gz FOPRTGZQYISUHC-SNVBAGLBSA-N -1 1 336.646 3.678 20 0 EHADMM CCc1nc(SCc2noc3c2CC(C)(C)CC3)[n-]c(=O)c1C ZINC000871675926 1137552678 /nfs/dbraw/zinc/55/26/78/1137552678.db2.gz LAEZCJOJMFTRGT-UHFFFAOYSA-N -1 1 333.457 3.848 20 0 EHADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000872004852 1137564435 /nfs/dbraw/zinc/56/44/35/1137564435.db2.gz WAOBEGWDABWVTP-UHFFFAOYSA-N -1 1 342.823 3.939 20 0 EHADMM Cc1ccc(C(=O)C2CCN(Cc3cc(C(=O)[O-])cs3)CC2)cc1 ZINC000872157593 1137574350 /nfs/dbraw/zinc/57/43/50/1137574350.db2.gz UARNXBOXPVRGIZ-UHFFFAOYSA-N -1 1 343.448 3.850 20 0 EHADMM O=C([O-])c1csc(CN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000872156805 1137574384 /nfs/dbraw/zinc/57/43/84/1137574384.db2.gz FMQQZEZZHHKOFV-UHFFFAOYSA-N -1 1 329.421 3.541 20 0 EHADMM C/C(=C\CN(C)Cc1ccccc1OCc1ccccc1)C(=O)[O-] ZINC000872160318 1137574469 /nfs/dbraw/zinc/57/44/69/1137574469.db2.gz DHWWUMQLMOUBSI-FOWTUZBSSA-N -1 1 325.408 3.728 20 0 EHADMM CC1(C)CN(Cn2[n-]c(-c3ccccn3)nc2=S)[C@@H]1c1ccco1 ZINC000872634312 1137582212 /nfs/dbraw/zinc/58/22/12/1137582212.db2.gz NYFBSAHUJYNVSC-CQSZACIVSA-N -1 1 341.440 3.636 20 0 EHADMM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000874188836 1137611433 /nfs/dbraw/zinc/61/14/33/1137611433.db2.gz OVYWOKZYXOVMAW-UHFFFAOYSA-N -1 1 327.234 3.648 20 0 EHADMM CCSCC[C@H](C)N(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394183 1137650670 /nfs/dbraw/zinc/65/06/70/1137650670.db2.gz RHPFAWQHOAFJFS-NSHDSACASA-N -1 1 330.881 3.719 20 0 EHADMM CN(C(=O)NCc1ccc([O-])c(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000876395249 1137650750 /nfs/dbraw/zinc/65/07/50/1137650750.db2.gz YJUBVEVUMXDNMP-MRXNPFEDSA-N -1 1 330.815 3.875 20 0 EHADMM Cc1ccc(CN(C(=O)NCc2ccc([O-])c(Cl)c2)C2CC2)o1 ZINC000876394919 1137650773 /nfs/dbraw/zinc/65/07/73/1137650773.db2.gz RBFZYTIZYURWFV-UHFFFAOYSA-N -1 1 334.803 3.821 20 0 EHADMM CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000129593008 1137825511 /nfs/dbraw/zinc/82/55/11/1137825511.db2.gz LFLVJQUKAXJVEJ-UHFFFAOYSA-N -1 1 347.802 3.828 20 0 EHADMM CCc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)[nH]c(C)c1C(C)=O ZINC000885674972 1138017737 /nfs/dbraw/zinc/01/77/37/1138017737.db2.gz XNQXLTWIVZZZQU-UHFFFAOYSA-N -1 1 338.766 3.839 20 0 EHADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)nn1C(C)(C)C ZINC000885674969 1138017908 /nfs/dbraw/zinc/01/79/08/1138017908.db2.gz XKKWUAKKKBSYQX-UHFFFAOYSA-N -1 1 325.771 3.697 20 0 EHADMM O=C(C[C@H]1CC[C@@H](C(F)(F)F)O1)Nc1cc(F)c([O-])cc1Cl ZINC000885682556 1138018293 /nfs/dbraw/zinc/01/82/93/1138018293.db2.gz RTOVSJPRNJTINE-KBUNVGBDSA-N -1 1 341.688 3.623 20 0 EHADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)NCCc1c(F)cc([O-])cc1F ZINC000886269788 1138063349 /nfs/dbraw/zinc/06/33/49/1138063349.db2.gz HKINAPJPLIHGFX-GDBMZVCRSA-N -1 1 345.336 3.545 20 0 EHADMM CC(C)n1c(CNC(=O)c2cccc(Cl)c2Cl)n[n-]c1=S ZINC000066640110 1138076886 /nfs/dbraw/zinc/07/68/86/1138076886.db2.gz HHJUAAOLVHTWND-UHFFFAOYSA-N -1 1 345.255 3.758 20 0 EHADMM CC(C)n1c(CNC(=O)Nc2ccc(F)c(Cl)c2)n[n-]c1=S ZINC000085547069 1138184488 /nfs/dbraw/zinc/18/44/88/1138184488.db2.gz SUZMPNDNHMQWHI-UHFFFAOYSA-N -1 1 343.815 3.636 20 0 EHADMM CSc1cccc(F)c1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000336943413 1138432067 /nfs/dbraw/zinc/43/20/67/1138432067.db2.gz LIABMGJYEXMQDV-UHFFFAOYSA-N -1 1 333.413 3.673 20 0 EHADMM CCSc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])c1 ZINC000337583458 1138613437 /nfs/dbraw/zinc/61/34/37/1138613437.db2.gz PWFAYXMJDWWJDX-UHFFFAOYSA-N -1 1 331.393 3.543 20 0 EHADMM CN(Cc1ccccc1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338359121 1138853697 /nfs/dbraw/zinc/85/36/97/1138853697.db2.gz OTHIPVFZBRQWTL-UHFFFAOYSA-N -1 1 326.783 3.866 20 0 EHADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137246512 1138873641 /nfs/dbraw/zinc/87/36/41/1138873641.db2.gz FKGCDLQJBVSIIE-JKSUJKDBSA-N -1 1 331.437 3.655 20 0 EHADMM CCOc1cc(C(=O)NC[C@H]2CCCC(C)(C)O2)cc(Cl)c1[O-] ZINC000890140052 1139315599 /nfs/dbraw/zinc/31/55/99/1139315599.db2.gz PUIIDTGWNRYLQH-GFCCVEGCSA-N -1 1 341.835 3.522 20 0 EHADMM COc1ccc(C(C)(C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000182875437 1139998543 /nfs/dbraw/zinc/99/85/43/1139998543.db2.gz GVTFPGQCMPQXAG-UHFFFAOYSA-N -1 1 349.814 3.979 20 0 EHADMM CCC[C@H](N[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000185035135 1140132651 /nfs/dbraw/zinc/13/26/51/1140132651.db2.gz QTSZLEKGHXIJIE-KSSFIOAISA-N -1 1 340.423 3.524 20 0 EHADMM CCOc1cc(C(=O)N(CC)c2nc(C)cs2)cc(Cl)c1[O-] ZINC000186836292 1140223996 /nfs/dbraw/zinc/22/39/96/1140223996.db2.gz DZBMEFJAEVFMNG-UHFFFAOYSA-N -1 1 340.832 3.876 20 0 EHADMM CN(C)Cc1cnc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)s1 ZINC000349104400 1141639543 /nfs/dbraw/zinc/63/95/43/1141639543.db2.gz DLZPJRORAHDGPN-SOFGYWHQSA-N -1 1 339.420 3.622 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000055619455 214333693 /nfs/dbraw/zinc/33/36/93/214333693.db2.gz FYTBPRJVNOLNQE-UHFFFAOYSA-N -1 1 327.352 3.553 20 0 EHADMM CC(C)COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1Cl ZINC000820103399 607313133 /nfs/dbraw/zinc/31/31/33/607313133.db2.gz XWMCCHUTNVKJSC-UHFFFAOYSA-N -1 1 347.806 3.760 20 0 EHADMM CC(C)COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1Cl ZINC000820103399 607313134 /nfs/dbraw/zinc/31/31/34/607313134.db2.gz XWMCCHUTNVKJSC-UHFFFAOYSA-N -1 1 347.806 3.760 20 0 EHADMM c1c2ccccc2[nH]c1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823792502 599505525 /nfs/dbraw/zinc/50/55/25/599505525.db2.gz VREIZPWYPFTJHQ-UHFFFAOYSA-N -1 1 341.378 3.508 20 0 EHADMM c1c2ccccc2[nH]c1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823792502 599505528 /nfs/dbraw/zinc/50/55/28/599505528.db2.gz VREIZPWYPFTJHQ-UHFFFAOYSA-N -1 1 341.378 3.508 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1F)c1ccccc1C(F)(F)F ZINC000739505518 599792783 /nfs/dbraw/zinc/79/27/83/599792783.db2.gz QZKVBCSPBRJSQW-AWEZNQCLSA-N -1 1 327.277 3.760 20 0 EHADMM Cc1oc(CNC2(c3ccc(Cl)cc3)CCOCC2)cc1C(=O)[O-] ZINC000738985094 599803733 /nfs/dbraw/zinc/80/37/33/599803733.db2.gz ZHKYOZBXUSBFCX-UHFFFAOYSA-N -1 1 349.814 3.735 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000737086047 600019026 /nfs/dbraw/zinc/01/90/26/600019026.db2.gz SVALMMPUVMNMDD-GOSISDBHSA-N -1 1 340.423 3.715 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000740079744 600083183 /nfs/dbraw/zinc/08/31/83/600083183.db2.gz SQYQFHXYPGSKLQ-UHFFFAOYSA-N -1 1 329.346 3.952 20 0 EHADMM CCOc1ccc(-c2nc(CN3CCC[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000164562661 600131813 /nfs/dbraw/zinc/13/18/13/600131813.db2.gz AHBJBXCRIKCNAU-CQSZACIVSA-N -1 1 346.452 3.505 20 0 EHADMM CCCCOc1ncccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737000338 600428757 /nfs/dbraw/zinc/42/87/57/600428757.db2.gz ZSAQGWJDWDSXBB-MRXNPFEDSA-N -1 1 348.830 3.829 20 0 EHADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c(C)o1 ZINC000738388066 600438159 /nfs/dbraw/zinc/43/81/59/600438159.db2.gz HQWUGKOKGWFVIK-CQSZACIVSA-N -1 1 338.201 3.574 20 0 EHADMM Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(C)s1 ZINC000166570102 600636127 /nfs/dbraw/zinc/63/61/27/600636127.db2.gz FIDKLCCCHRNVKF-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM COc1ccccc1-c1nc(CN2CCCC[C@H]2CC(=O)[O-])cs1 ZINC000650506409 600712057 /nfs/dbraw/zinc/71/20/57/600712057.db2.gz KUQYQUPQVAQMJZ-AWEZNQCLSA-N -1 1 346.452 3.648 20 0 EHADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000832342567 600731453 /nfs/dbraw/zinc/73/14/53/600731453.db2.gz VKMUILGIUWFQAR-HNNXBMFYSA-N -1 1 340.206 3.918 20 0 EHADMM Cc1ccccc1[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)[C@H](C)CO1 ZINC000263508786 600832866 /nfs/dbraw/zinc/83/28/66/600832866.db2.gz YBMLYYXQBSOJQH-BEFAXECRSA-N -1 1 325.408 3.655 20 0 EHADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)C1 ZINC000179990842 600836755 /nfs/dbraw/zinc/83/67/55/600836755.db2.gz VSFBRIKEKNWCTQ-CHWSQXEVSA-N -1 1 341.411 3.660 20 0 EHADMM O=C([O-])c1ccc(CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)o1 ZINC000740135981 600992433 /nfs/dbraw/zinc/99/24/33/600992433.db2.gz LUZWQTLFKPNCCA-UHFFFAOYSA-N -1 1 341.392 3.544 20 0 EHADMM O=C([O-])c1sccc1CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000576761682 601821550 /nfs/dbraw/zinc/82/15/50/601821550.db2.gz SXSMPFHWDODJOX-CQSZACIVSA-N -1 1 345.420 3.555 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824757621 607533613 /nfs/dbraw/zinc/53/36/13/607533613.db2.gz YNBZGEJVYNJROQ-SECBINFHSA-N -1 1 333.367 3.534 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824757621 607533614 /nfs/dbraw/zinc/53/36/14/607533614.db2.gz YNBZGEJVYNJROQ-SECBINFHSA-N -1 1 333.367 3.534 20 0 EHADMM C[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000824757192 607533644 /nfs/dbraw/zinc/53/36/44/607533644.db2.gz UGZFXPHPLUXDLK-VIFPVBQESA-N -1 1 333.367 3.534 20 0 EHADMM C[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000824757192 607533646 /nfs/dbraw/zinc/53/36/46/607533646.db2.gz UGZFXPHPLUXDLK-VIFPVBQESA-N -1 1 333.367 3.534 20 0 EHADMM O=C([O-])[C@H](N[C@@H]1COc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000833167042 601974946 /nfs/dbraw/zinc/97/49/46/601974946.db2.gz LFBHLIMAVFTZML-UKRRQHHQSA-N -1 1 338.190 3.842 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000826051209 602046784 /nfs/dbraw/zinc/04/67/84/602046784.db2.gz BJRHNOLBNOYYCD-KSSFIOAISA-N -1 1 327.428 3.550 20 0 EHADMM Cc1nc(CN2CCC(C(=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC000262614795 602232822 /nfs/dbraw/zinc/23/28/22/602232822.db2.gz CLSCYAQXMXVWMQ-UHFFFAOYSA-N -1 1 334.803 3.600 20 0 EHADMM CCCN(Cc1nc(-c2ccsc2)oc1C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359965 602547993 /nfs/dbraw/zinc/54/79/93/602547993.db2.gz QXAIFALMVLIIHE-AWEZNQCLSA-N -1 1 349.456 3.676 20 0 EHADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccc(NC(=O)[O-])nc1 ZINC000830143666 603539116 /nfs/dbraw/zinc/53/91/16/603539116.db2.gz LGPMIEUPJKWVGK-AWEZNQCLSA-N -1 1 329.400 3.876 20 0 EHADMM Cc1sc([C@@H](C)NCCNC(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000830957296 603577130 /nfs/dbraw/zinc/57/71/30/603577130.db2.gz OMDJSLNBRZOZFO-SECBINFHSA-N -1 1 339.848 3.690 20 0 EHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256522 604195535 /nfs/dbraw/zinc/19/55/35/604195535.db2.gz YONXMCQCBFELII-SQWLQELKSA-N -1 1 343.427 3.771 20 0 EHADMM CCOc1ccc(C2=CCN(Cc3occc3C(=O)[O-])CC2)cc1 ZINC000833663409 604574366 /nfs/dbraw/zinc/57/43/66/604574366.db2.gz IOQDYELAJGMMJO-UHFFFAOYSA-N -1 1 327.380 3.666 20 0 EHADMM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)s1 ZINC000833754977 604636918 /nfs/dbraw/zinc/63/69/18/604636918.db2.gz SCYRNJSOGYVAHF-STQMWFEESA-N -1 1 348.468 3.805 20 0 EHADMM O=C([O-])c1cccc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000422590913 604653715 /nfs/dbraw/zinc/65/37/15/604653715.db2.gz NMZHJACCUNHEEQ-QGZVFWFLSA-N -1 1 348.406 3.507 20 0 EHADMM CC(C)CN1Cc2cccc(NC(=O)c3ccc(C(=O)[O-])cc3)c2C1 ZINC000833489184 604868653 /nfs/dbraw/zinc/86/86/53/604868653.db2.gz XHSKSQMHAKZEFW-UHFFFAOYSA-N -1 1 338.407 3.609 20 0 EHADMM CC(C)CN1Cc2cccc(NC(=O)c3ccc(C(=O)[O-])s3)c2C1 ZINC000833488706 604868669 /nfs/dbraw/zinc/86/86/69/604868669.db2.gz UMBMZHRLJILPLU-UHFFFAOYSA-N -1 1 344.436 3.670 20 0 EHADMM COc1ccc2c(c1)CN([C@H](C(=O)[O-])c1cccc(Cl)c1)CC2 ZINC000832493590 604968700 /nfs/dbraw/zinc/96/87/00/604968700.db2.gz KMJHYDYOMLCLAN-KRWDZBQOSA-N -1 1 331.799 3.533 20 0 EHADMM COc1ccc([C@@H](N[C@H](C(=O)[O-])c2cccnc2)c2ccccc2)cc1 ZINC000832244181 604973268 /nfs/dbraw/zinc/97/32/68/604973268.db2.gz AEGRQMWRONYESQ-PMACEKPBSA-N -1 1 348.402 3.595 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC(c2nc3ccccc3s2)C1 ZINC000833547814 605056610 /nfs/dbraw/zinc/05/66/10/605056610.db2.gz XNFCTPAKPIJALQ-SNVBAGLBSA-N -1 1 328.393 3.748 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000833420374 605244382 /nfs/dbraw/zinc/24/43/82/605244382.db2.gz QURFTRWGSNOYEW-SNVBAGLBSA-N -1 1 331.243 3.711 20 0 EHADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@@H]2c2nc3ccccc3o2)O1 ZINC000833585443 605371570 /nfs/dbraw/zinc/37/15/70/605371570.db2.gz SHOJFMDLNCGPFJ-XJKSGUPXSA-N -1 1 342.395 3.502 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(CN(C)C)c(F)c2)ccc1NC(=O)[O-] ZINC000829966074 605442369 /nfs/dbraw/zinc/44/23/69/605442369.db2.gz RPALREUAAHTXKH-UHFFFAOYSA-N -1 1 345.374 3.538 20 0 EHADMM Clc1nsc(N2CCC[C@H]2C2CCCCC2)c1-c1nnn[n-]1 ZINC000822590689 606400082 /nfs/dbraw/zinc/40/00/82/606400082.db2.gz MPRLMSOLAPXAND-JTQLQIEISA-N -1 1 338.868 3.526 20 0 EHADMM Clc1nsc(N2CCC[C@H]2C2CCCCC2)c1-c1nn[n-]n1 ZINC000822590689 606400084 /nfs/dbraw/zinc/40/00/84/606400084.db2.gz MPRLMSOLAPXAND-JTQLQIEISA-N -1 1 338.868 3.526 20 0 EHADMM c1ccc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000823772781 606447937 /nfs/dbraw/zinc/44/79/37/606447937.db2.gz NSCQIQUVXNYGKJ-SFHVURJKSA-N -1 1 342.406 3.756 20 0 EHADMM c1ccc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000823772781 606447939 /nfs/dbraw/zinc/44/79/39/606447939.db2.gz NSCQIQUVXNYGKJ-SFHVURJKSA-N -1 1 342.406 3.756 20 0 EHADMM Clc1cccc2c1CC[C@@H]2SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826353671 607785728 /nfs/dbraw/zinc/78/57/28/607785728.db2.gz ZFIBXMRRMBWSQG-HNNXBMFYSA-N -1 1 343.843 3.836 20 0 EHADMM Clc1cccc2c1CC[C@@H]2SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826353671 607785729 /nfs/dbraw/zinc/78/57/29/607785729.db2.gz ZFIBXMRRMBWSQG-HNNXBMFYSA-N -1 1 343.843 3.836 20 0 EHADMM Fc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1Cl ZINC000826375897 608168838 /nfs/dbraw/zinc/16/88/38/608168838.db2.gz GKDDOFRTYGMSDC-UHFFFAOYSA-N -1 1 332.147 3.561 20 0 EHADMM Clc1nsc(N[C@@H](c2ccccc2)C2CCC2)c1-c1nnn[n-]1 ZINC000826353955 608182217 /nfs/dbraw/zinc/18/22/17/608182217.db2.gz KRCBPFOGGDNYEL-LBPRGKRZSA-N -1 1 346.847 3.930 20 0 EHADMM Clc1nsc(N[C@@H](c2ccccc2)C2CCC2)c1-c1nn[n-]n1 ZINC000826353955 608182219 /nfs/dbraw/zinc/18/22/19/608182219.db2.gz KRCBPFOGGDNYEL-LBPRGKRZSA-N -1 1 346.847 3.930 20 0 EHADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc2ccccc21 ZINC000323144553 970970855 /nfs/dbraw/zinc/97/08/55/970970855.db2.gz GDVXDLARUMTLOG-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000263122722 950277251 /nfs/dbraw/zinc/27/72/51/950277251.db2.gz CKJHCCKTVYLKAM-WCQYABFASA-N -1 1 334.416 3.634 20 0 EHADMM C[C@@H]1CN(Cc2cc(Cl)ccc2Br)CC[C@H]1C(=O)[O-] ZINC000311349230 950733040 /nfs/dbraw/zinc/73/30/40/950733040.db2.gz DJZCPCYLMAOIFI-BXKDBHETSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@H]1CN(C/C=C/c2ccc(F)c(F)c2)Cc2ccccc21 ZINC001594953939 954971909 /nfs/dbraw/zinc/97/19/09/954971909.db2.gz QYTKDQUOTTVBMD-CWDCEQMOSA-N -1 1 329.346 3.662 20 0 EHADMM O=C([O-])c1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000903690629 956870223 /nfs/dbraw/zinc/87/02/23/956870223.db2.gz LKKJPJUXJNUEFM-JTQLQIEISA-N -1 1 327.327 3.641 20 0 EHADMM C[C@@H]1CCN(Cc2ccc(Br)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000129351621 958700362 /nfs/dbraw/zinc/70/03/62/958700362.db2.gz AJEVJSHBASDCFW-RNCFNFMXSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@]1(C(=O)[O-])CCCN1Cc1cc2cc(Br)ccc2o1 ZINC001573646125 959643851 /nfs/dbraw/zinc/64/38/51/959643851.db2.gz QAGKKVGCQLJLAC-OAHLLOKOSA-N -1 1 338.201 3.634 20 0 EHADMM CC[C@@H](CSC)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226736878 959899798 /nfs/dbraw/zinc/89/97/98/959899798.db2.gz RQWUEDCDCJWEJZ-LBPRGKRZSA-N -1 1 346.290 3.721 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C/C=C/c2ccc(F)cc2F)C1 ZINC001262158826 960794188 /nfs/dbraw/zinc/79/41/88/960794188.db2.gz YUXPNIVADZCOPQ-HHDBNCKJSA-N -1 1 349.299 3.563 20 0 EHADMM O=C([O-])[C@@H](CC1CCCCC1)NCc1csc(C(F)(F)F)n1 ZINC001336929119 961973220 /nfs/dbraw/zinc/97/32/20/961973220.db2.gz SVIBYVZZZXAZES-LLVKDONJSA-N -1 1 336.379 3.675 20 0 EHADMM COc1cc(Cl)c(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263308483 967868604 /nfs/dbraw/zinc/86/86/04/967868604.db2.gz HQQADHQFVNOMIJ-UWVGGRQHSA-N -1 1 332.227 3.687 20 0 EHADMM C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000302485786 967915535 /nfs/dbraw/zinc/91/55/35/967915535.db2.gz IDDAYFBXBDAAJA-ONGXEEELSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@H]1CN(Cc2ccc(Cl)c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000302485786 967915541 /nfs/dbraw/zinc/91/55/41/967915541.db2.gz IDDAYFBXBDAAJA-ONGXEEELSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2ccccc2F)n1 ZINC000570718762 968445476 /nfs/dbraw/zinc/44/54/76/968445476.db2.gz CKKSQBSZDGDFPM-RYUDHWBXSA-N -1 1 334.416 3.634 20 0 EHADMM O=C([C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1)C1CC1 ZINC000584290890 1032076728 /nfs/dbraw/zinc/07/67/28/1032076728.db2.gz NLMAMZUKYVVLAZ-AWEZNQCLSA-N -1 1 336.363 3.932 20 0 EHADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436589027 1025928395 /nfs/dbraw/zinc/92/83/95/1025928395.db2.gz JKKLOGMWAXDBGT-GHMZBOCLSA-N -1 1 326.234 3.805 20 0 EHADMM O=C([O-])c1ccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC001606478688 973958313 /nfs/dbraw/zinc/95/83/13/973958313.db2.gz OSDXRFVSQGLCFU-UHFFFAOYSA-N -1 1 349.268 3.532 20 0 EHADMM CCOC(=O)[C@@H](CC(C)C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001603779563 974234915 /nfs/dbraw/zinc/23/49/15/974234915.db2.gz FEZZINIBYVBQGP-GOSISDBHSA-N -1 1 347.455 3.542 20 0 EHADMM C[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)cc(Br)c2)C1 ZINC000516976031 974312827 /nfs/dbraw/zinc/31/28/27/974312827.db2.gz RPQURJVUDAOINW-AWEZNQCLSA-N -1 1 346.652 3.789 20 0 EHADMM CO[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000520430876 974339686 /nfs/dbraw/zinc/33/96/86/974339686.db2.gz POILNJDZCYALNM-KBPBESRZSA-N -1 1 346.254 3.866 20 0 EHADMM Cc1oc(CN(C)C[C@H](OC(C)C)c2ccccc2)cc1C(=O)[O-] ZINC000568758161 974677585 /nfs/dbraw/zinc/67/75/85/974677585.db2.gz ISYBRDYOVYRNKD-SFHVURJKSA-N -1 1 331.412 3.884 20 0 EHADMM COCc1ccc([C@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2C)o1 ZINC000576046263 974806967 /nfs/dbraw/zinc/80/69/67/974806967.db2.gz GGEXVHJSEHLVKL-SJLPKXTDSA-N -1 1 329.396 3.697 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(CCc2ccccc2)n1 ZINC000579717703 1014251479 /nfs/dbraw/zinc/25/14/79/1014251479.db2.gz HIRDLJPLSGSKKG-ZBFHGGJFSA-N -1 1 344.480 3.613 20 0 EHADMM COc1cc(OC)c(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000649507334 975422334 /nfs/dbraw/zinc/42/23/34/975422334.db2.gz QOEDMWKXDNIMBJ-MRXNPFEDSA-N -1 1 347.386 3.539 20 0 EHADMM COc1ccc(Cl)cc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656766094 975699517 /nfs/dbraw/zinc/69/95/17/975699517.db2.gz QAZUVDFFJGDUFB-OWCLPIDISA-N -1 1 337.847 3.814 20 0 EHADMM O=C([O-])[C@@H]1CN(Cc2ncc(C3CC3)o2)C[C@H]1c1ccc(Cl)cc1 ZINC000659798227 975888520 /nfs/dbraw/zinc/88/85/20/975888520.db2.gz ZPEVHKVZWTWOHK-LSDHHAIUSA-N -1 1 346.814 3.506 20 0 EHADMM Cc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000683174717 976079325 /nfs/dbraw/zinc/07/93/25/976079325.db2.gz WYBBENDRAVDKDL-HNNXBMFYSA-N -1 1 325.742 3.842 20 0 EHADMM CC(C)c1[nH]c(CN2CCC(c3cccnc3)CC2)cc1C(=O)[O-] ZINC001591912655 976347808 /nfs/dbraw/zinc/34/78/08/976347808.db2.gz PWIMYBBTOKIJKX-UHFFFAOYSA-N -1 1 327.428 3.611 20 0 EHADMM Cc1csc(C(=O)Nc2c([O-])cccc2F)c1Br ZINC000683115020 1014364001 /nfs/dbraw/zinc/36/40/01/1014364001.db2.gz YHEWJELZJCCURM-UHFFFAOYSA-N -1 1 330.178 3.916 20 0 EHADMM C[C@@](CC(=O)[O-])(NCc1ccc(Cl)cc1Cl)c1cccnc1 ZINC001592327880 977743011 /nfs/dbraw/zinc/74/30/11/977743011.db2.gz GOWBCTVOYZFQAX-INIZCTEOSA-N -1 1 339.222 3.868 20 0 EHADMM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1cc2ccccc2o1 ZINC000547643564 1014625855 /nfs/dbraw/zinc/62/58/55/1014625855.db2.gz UAXLJCXGLZCJSC-UHFFFAOYSA-N -1 1 339.775 3.704 20 0 EHADMM COc1ccccc1[C@@H]1CSCCCN1Cc1cc(C(=O)[O-])co1 ZINC000872167984 980068289 /nfs/dbraw/zinc/06/82/89/980068289.db2.gz MYCHGBLKRBDWBR-INIZCTEOSA-N -1 1 347.436 3.667 20 0 EHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cc(F)ccc1OC ZINC001595277438 980306466 /nfs/dbraw/zinc/30/64/66/980306466.db2.gz UKAMVVCMHYPROT-NVXWUHKLSA-N -1 1 335.350 3.840 20 0 EHADMM O=C([O-])c1cnc(C2CCN(Cc3cnc(C4CC4)s3)CC2)s1 ZINC000901935329 980639598 /nfs/dbraw/zinc/63/95/98/980639598.db2.gz ZNMCURYARFPFLG-UHFFFAOYSA-N -1 1 349.481 3.555 20 0 EHADMM Cc1cc(CNCc2sc3nc(C)nc(C)c3c2C)oc1C(=O)[O-] ZINC000901942217 980642141 /nfs/dbraw/zinc/64/21/41/980642141.db2.gz GVGUBCPUPPRIOE-UHFFFAOYSA-N -1 1 345.424 3.506 20 0 EHADMM CCOc1cccc2cc([C@H](C)NCc3ccoc3C(=O)[O-])oc21 ZINC000902080755 980723614 /nfs/dbraw/zinc/72/36/14/980723614.db2.gz LVJYZJXYEKIMHD-NSHDSACASA-N -1 1 329.352 3.974 20 0 EHADMM C[C@H](Oc1ccc(CNCc2ccc(C(C)(C)C)o2)cc1)C(=O)[O-] ZINC000902329753 980835687 /nfs/dbraw/zinc/83/56/87/980835687.db2.gz MGIZBQBVCFGFDQ-ZDUSSCGKSA-N -1 1 331.412 3.719 20 0 EHADMM Cc1ccc(N2CCN(Cc3ccc(C(=O)[O-])s3)[C@@H](C)C2)cc1C ZINC000903672539 981011013 /nfs/dbraw/zinc/01/10/13/981011013.db2.gz HWALHNHQRPKLJP-HNNXBMFYSA-N -1 1 344.480 3.774 20 0 EHADMM CCc1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)nc1 ZINC000905401737 981117163 /nfs/dbraw/zinc/11/71/63/981117163.db2.gz DHSJDLAIJYMVTE-HNNXBMFYSA-N -1 1 338.329 3.578 20 0 EHADMM CCOc1ccccc1C(F)(F)C(=O)Nc1c([O-])cccc1F ZINC000092551594 1014862580 /nfs/dbraw/zinc/86/25/80/1014862580.db2.gz SYJWWHASTDMONV-UHFFFAOYSA-N -1 1 325.286 3.661 20 0 EHADMM CCCN(Cc1snc(OC)c1C(=O)[O-])Cc1ccc(C)cc1 ZINC001595889025 982920266 /nfs/dbraw/zinc/92/02/66/982920266.db2.gz WLAQJYVUNRNNJO-UHFFFAOYSA-N -1 1 334.441 3.571 20 0 EHADMM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCC(CC(=O)[O-])CC1 ZINC001595013240 982944966 /nfs/dbraw/zinc/94/49/66/982944966.db2.gz CSSVQOBSIOUCNF-HUUCEWRRSA-N -1 1 346.471 3.714 20 0 EHADMM Cc1ccc(CN2CCC(C(=O)c3cccs3)CC2)cc1C(=O)[O-] ZINC001119002798 982974170 /nfs/dbraw/zinc/97/41/70/982974170.db2.gz WNDCPVOFKQMOCL-UHFFFAOYSA-N -1 1 343.448 3.850 20 0 EHADMM CCCOc1ccc(C(C)(C)NCc2cccc(C(=O)[O-])n2)cc1 ZINC001595954507 983138663 /nfs/dbraw/zinc/13/86/63/983138663.db2.gz JWSYNTXINOLQRW-UHFFFAOYSA-N -1 1 328.412 3.594 20 0 EHADMM Cc1[nH]c(CN2CC=C(c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC001599960965 985780587 /nfs/dbraw/zinc/78/05/87/985780587.db2.gz ATZBHJXZSFYJLR-UHFFFAOYSA-N -1 1 330.815 3.964 20 0 EHADMM CC(C)(C(=O)NOCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001589574920 987349342 /nfs/dbraw/zinc/34/93/42/987349342.db2.gz NWUFEACJMPQAEW-UHFFFAOYSA-N -1 1 341.407 3.544 20 0 EHADMM CCc1[nH]c(CN(Cc2ccccc2F)CC2CC2)cc1C(=O)[O-] ZINC001597385680 987596641 /nfs/dbraw/zinc/59/66/41/987596641.db2.gz WQLUZROQQRYIEO-UHFFFAOYSA-N -1 1 330.403 3.827 20 0 EHADMM CCc1[nH]c(CN[C@H](Cc2ccccc2)c2ccccn2)cc1C(=O)[O-] ZINC001597390315 987615265 /nfs/dbraw/zinc/61/52/65/987615265.db2.gz BYAGCPPTNULVOC-HXUWFJFHSA-N -1 1 349.434 3.744 20 0 EHADMM CCc1oc(CN[C@H](C)c2cccc(N3CCCC3)c2)cc1C(=O)[O-] ZINC001597799673 989384526 /nfs/dbraw/zinc/38/45/26/989384526.db2.gz RPHFSHMDGCGAGD-CQSZACIVSA-N -1 1 342.439 3.991 20 0 EHADMM CC(C)(C)c1coc(CNC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)n1 ZINC001590527065 990139595 /nfs/dbraw/zinc/13/95/95/990139595.db2.gz PZJPRNKIHWEWLJ-HNNXBMFYSA-N -1 1 342.439 3.880 20 0 EHADMM CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001590545758 990184511 /nfs/dbraw/zinc/18/45/11/990184511.db2.gz MQWVXLIDTPOUKN-UHFFFAOYSA-N -1 1 337.379 3.811 20 0 EHADMM COc1ccccc1[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1F ZINC001599703586 991258701 /nfs/dbraw/zinc/25/87/01/991258701.db2.gz HOHHUHMMJITAAY-KRWDZBQOSA-N -1 1 329.371 3.870 20 0 EHADMM COc1ccccc1[C@@H]1C[C@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001599719005 991504319 /nfs/dbraw/zinc/50/43/19/991504319.db2.gz QAZDKGIOODAIAZ-KHIZAZIESA-N -1 1 349.789 3.759 20 0 EHADMM O=C(COc1cc(Cl)cc(Cl)c1)Nc1c([O-])cccc1F ZINC000608367497 1033643168 /nfs/dbraw/zinc/64/31/68/1033643168.db2.gz SJRMZHGDBZJHSV-UHFFFAOYSA-N -1 1 330.142 3.856 20 0 EHADMM CN(Cc1ccc(Cl)c(F)c1)[C@H](C(=O)[O-])c1ccccc1F ZINC001598517534 992635839 /nfs/dbraw/zinc/63/58/39/992635839.db2.gz BFGNJPRFULMNGH-HNNXBMFYSA-N -1 1 325.742 3.876 20 0 EHADMM CN(Cc1cscc1Br)C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001598536095 992840948 /nfs/dbraw/zinc/84/09/48/992840948.db2.gz LGFJLKHNQGSZPD-ZYHUDNBSSA-N -1 1 346.290 3.833 20 0 EHADMM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1cc(F)ccc1F ZINC001593197375 994162784 /nfs/dbraw/zinc/16/27/84/994162784.db2.gz JRXGDTWAHILQGW-NWDGAFQWSA-N -1 1 335.350 3.840 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000467991934 1015869759 /nfs/dbraw/zinc/86/97/59/1015869759.db2.gz BHTFJOTYZLUNSF-UWVGGRQHSA-N -1 1 325.261 3.691 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1 ZINC000180210444 1015881702 /nfs/dbraw/zinc/88/17/02/1015881702.db2.gz KKGZFZLDDPTFFD-UHFFFAOYSA-N -1 1 349.214 3.945 20 0 EHADMM COc1cccc(CNCc2ccc(-c3ccccc3C(=O)[O-])o2)c1 ZINC001599672991 994846534 /nfs/dbraw/zinc/84/65/34/994846534.db2.gz DDTOZAUZQPQFTP-UHFFFAOYSA-N -1 1 337.375 3.943 20 0 EHADMM C[C@H](Oc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1)C(=O)[O-] ZINC001593616331 995846889 /nfs/dbraw/zinc/84/68/89/995846889.db2.gz XHFFOECXCDMEFA-LBPRGKRZSA-N -1 1 345.361 3.703 20 0 EHADMM C[C@H](c1ccc(F)c(F)c1)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593693542 996145196 /nfs/dbraw/zinc/14/51/96/996145196.db2.gz NSCOJULFSQBHGS-DVVUODLYSA-N -1 1 337.288 3.611 20 0 EHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC001593726073 996286824 /nfs/dbraw/zinc/28/68/24/996286824.db2.gz YTXXVXKNKBVVHW-IFXJQAMLSA-N -1 1 328.412 3.779 20 0 EHADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001593732800 996315835 /nfs/dbraw/zinc/31/58/35/996315835.db2.gz ZPHCGESVIVCYMD-AAEUAGOBSA-N -1 1 334.416 3.606 20 0 EHADMM COC[C@@H](NCc1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001599177182 996870568 /nfs/dbraw/zinc/87/05/68/996870568.db2.gz MXNLGMKAKJFASG-QGZVFWFLSA-N -1 1 333.815 3.824 20 0 EHADMM COc1ccc(C(C)C)cc1CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001599506883 997225039 /nfs/dbraw/zinc/22/50/39/997225039.db2.gz NOFIWTNLIKCFHR-FQEVSTJZSA-N -1 1 342.439 3.693 20 0 EHADMM COc1ccc([C@H](NCc2cscc2Cl)C(=O)[O-])cc1Cl ZINC001599530594 997644107 /nfs/dbraw/zinc/64/41/07/997644107.db2.gz FFRCICSPWQIGJG-ZDUSSCGKSA-N -1 1 346.235 3.979 20 0 EHADMM Cc1[nH]c(CN2CCC3(CC2)c2ccccc2N=C3C)cc1C(=O)[O-] ZINC001594120772 998274965 /nfs/dbraw/zinc/27/49/65/998274965.db2.gz WFLSPUIQIDOFTB-UHFFFAOYSA-N -1 1 337.423 3.661 20 0 EHADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1sccc1F ZINC000340068593 1016204433 /nfs/dbraw/zinc/20/44/33/1016204433.db2.gz BGRCOELXZVHRGR-UHFFFAOYSA-N -1 1 337.376 3.721 20 0 EHADMM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@H](C)C1 ZINC000091729363 1016325577 /nfs/dbraw/zinc/32/55/77/1016325577.db2.gz FSVOHQLPLSTIBI-CHWSQXEVSA-N -1 1 348.443 4.000 20 0 EHADMM CC(C)=CC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000021978054 1016382539 /nfs/dbraw/zinc/38/25/39/1016382539.db2.gz IGLINQKWDVVXNJ-UHFFFAOYSA-N -1 1 340.404 3.661 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2CC[C@H](C)c3cccc(O)c32)c1 ZINC000613577753 1016711116 /nfs/dbraw/zinc/71/11/16/1016711116.db2.gz WJERUIOWHKNXIT-NSHDSACASA-N -1 1 329.421 3.974 20 0 EHADMM CCc1c([N-]C(=O)c2c(C)noc2C(F)F)onc1C(F)(F)F ZINC000653812555 1016777928 /nfs/dbraw/zinc/77/79/28/1016777928.db2.gz LZDBXGAKZQCLGR-UHFFFAOYSA-N -1 1 339.220 3.742 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000179374157 1016868083 /nfs/dbraw/zinc/86/80/83/1016868083.db2.gz KCYXSNMQNUYTCD-SMDDNHRTSA-N -1 1 338.245 3.950 20 0 EHADMM CN(Cc1cc(Cl)cn1C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180706634 1016904474 /nfs/dbraw/zinc/90/44/74/1016904474.db2.gz FRIIGRCWNDXOSZ-UHFFFAOYSA-N -1 1 346.736 3.675 20 0 EHADMM CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1nccs1 ZINC000180574328 1016907831 /nfs/dbraw/zinc/90/78/31/1016907831.db2.gz CRGDUXVINFXKMN-JTQLQIEISA-N -1 1 330.331 3.749 20 0 EHADMM COc1ccc2cc(CNC(=O)c3ccc([O-])cc3F)ccc2c1 ZINC000181084093 1016914203 /nfs/dbraw/zinc/91/42/03/1016914203.db2.gz ZXOGLAVMGJAZBF-UHFFFAOYSA-N -1 1 325.339 3.623 20 0 EHADMM Cc1ccc(-c2nc(CC(=O)Nc3ccc(F)cc3[O-])cs2)o1 ZINC000340330051 1016952285 /nfs/dbraw/zinc/95/22/85/1016952285.db2.gz MXBNTMRBXTWPGM-UHFFFAOYSA-N -1 1 332.356 3.737 20 0 EHADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnn1-c1cccc(C)c1 ZINC000340330036 1016954365 /nfs/dbraw/zinc/95/43/65/1016954365.db2.gz MJHRGMKIOSAFGZ-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)[n-]1 ZINC001625887991 1016993402 /nfs/dbraw/zinc/99/34/02/1016993402.db2.gz PVAYXKAAHLFSSN-BFHYXJOUSA-N -1 1 346.427 3.549 20 0 EHADMM CC(C)Oc1ccnc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000659793673 1017025826 /nfs/dbraw/zinc/02/58/26/1017025826.db2.gz KSECNQLMASWCBB-VQIMIIECSA-N -1 1 346.471 3.724 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2nc(-c3ccc(F)cc3)no2)[n-]1 ZINC000188142634 1017060498 /nfs/dbraw/zinc/06/04/98/1017060498.db2.gz BZLOKWXLHQSZTH-UHFFFAOYSA-N -1 1 344.371 3.541 20 0 EHADMM CCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159335882 1032261423 /nfs/dbraw/zinc/26/14/23/1032261423.db2.gz SLEWOYFOGHGOIU-AWEZNQCLSA-N -1 1 346.452 3.862 20 0 EHADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc2c(cn1)CCCC2 ZINC000461219586 1032337702 /nfs/dbraw/zinc/33/77/02/1032337702.db2.gz QPTSNMKPVYIWHL-UHFFFAOYSA-N -1 1 336.844 3.556 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)[nH]n2)o1 ZINC000536894833 1032404064 /nfs/dbraw/zinc/40/40/64/1032404064.db2.gz XMSNNKCVSTVBPN-UHFFFAOYSA-N -1 1 345.424 3.704 20 0 EHADMM O=S(=O)([N-]Cc1cc2ccccc2o1)c1cc2ccccc2o1 ZINC000084936734 1032468880 /nfs/dbraw/zinc/46/88/80/1032468880.db2.gz ZNBUYHJGNLOMHI-UHFFFAOYSA-N -1 1 327.361 3.658 20 0 EHADMM O=C(NCc1ccc(-c2ccco2)cc1F)c1c(F)ccc([O-])c1F ZINC000584522425 1017134320 /nfs/dbraw/zinc/13/43/20/1017134320.db2.gz IQKKNNJVURSNGN-UHFFFAOYSA-N -1 1 347.292 4.000 20 0 EHADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)c(F)cc1Br ZINC000312440322 1017787340 /nfs/dbraw/zinc/78/73/40/1017787340.db2.gz WUPAXIJSWCOJNH-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000172806211 1032725956 /nfs/dbraw/zinc/72/59/56/1032725956.db2.gz MBZNEPCKLSFNEQ-OAHLLOKOSA-N -1 1 345.826 3.725 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H]3CCN(c4ccccc4F)C3)n2)cc1F ZINC000377795394 1018389849 /nfs/dbraw/zinc/38/98/49/1018389849.db2.gz CHDILJUEPNPEFU-GFCCVEGCSA-N -1 1 343.333 3.714 20 0 EHADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cccc(C(F)(F)F)n1 ZINC000255166025 1018500513 /nfs/dbraw/zinc/50/05/13/1018500513.db2.gz WKWDPOWRJLMMHD-HJWRWDBZSA-N -1 1 346.305 3.652 20 0 EHADMM O=C(NC1CCC(C(F)F)CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000655314033 1018741411 /nfs/dbraw/zinc/74/14/11/1018741411.db2.gz QSCFVLUVXSPRFZ-UHFFFAOYSA-N -1 1 337.288 3.965 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000433503664 1019024166 /nfs/dbraw/zinc/02/41/66/1019024166.db2.gz WIRVRATVEACJMX-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM CCN(Cc1cccc(Br)c1)Cc1ccc(C(=O)[O-])cn1 ZINC000580336155 1019079526 /nfs/dbraw/zinc/07/95/26/1019079526.db2.gz ALZGHLUYGLHLQT-UHFFFAOYSA-N -1 1 349.228 3.564 20 0 EHADMM COc1ccc(C(=O)CCCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000089541621 1019193770 /nfs/dbraw/zinc/19/37/70/1019193770.db2.gz QIQYMSJLYTZOFI-UHFFFAOYSA-N -1 1 331.343 3.532 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1F ZINC000513381199 1019586225 /nfs/dbraw/zinc/58/62/25/1019586225.db2.gz ACMQWRMPNYNLRP-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM CC(C)(C)C1CCC(c2cc(=NC(=O)c3cncc([O-])c3)[nH][nH]2)CC1 ZINC000345167992 1020002777 /nfs/dbraw/zinc/00/27/77/1020002777.db2.gz QSOUZYBBLGGICX-UHFFFAOYSA-N -1 1 342.443 3.504 20 0 EHADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000055652266 1020098543 /nfs/dbraw/zinc/09/85/43/1020098543.db2.gz MSTODLYUHCABKU-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1Cl ZINC000345579571 1020372687 /nfs/dbraw/zinc/37/26/87/1020372687.db2.gz BXRNZZHQJSMOEC-UHFFFAOYSA-N -1 1 327.771 3.996 20 0 EHADMM CCOC(=O)c1c([N-]c2cc(F)nc(F)c2)onc1-c1ccccc1 ZINC001213079978 1020377495 /nfs/dbraw/zinc/37/74/95/1020377495.db2.gz HVVPDBQSIMCYHF-UHFFFAOYSA-N -1 1 345.305 3.935 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cn2c(n1)CCC2 ZINC001167445476 1020420220 /nfs/dbraw/zinc/42/02/20/1020420220.db2.gz YMAWAAPNYYUXNB-UHFFFAOYSA-N -1 1 327.771 3.594 20 0 EHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000345680567 1020448376 /nfs/dbraw/zinc/44/83/76/1020448376.db2.gz HEWAPIVCHNITQN-UHFFFAOYSA-N -1 1 341.436 3.797 20 0 EHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(O)c(F)cc2F)s1 ZINC000414397976 1020504174 /nfs/dbraw/zinc/50/41/74/1020504174.db2.gz SMXKZYMLOJBWKX-UHFFFAOYSA-N -1 1 347.408 3.830 20 0 EHADMM CC(C)(C)CCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000606927326 1032914904 /nfs/dbraw/zinc/91/49/04/1032914904.db2.gz DFZFLHJMFXLEEF-UHFFFAOYSA-N -1 1 346.471 3.823 20 0 EHADMM O=C(N[C@H]1CCc2c1cccc2O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436776897 1021205375 /nfs/dbraw/zinc/20/53/75/1021205375.db2.gz MLEHUENPMFWLGH-ZDUSSCGKSA-N -1 1 337.297 3.534 20 0 EHADMM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436778821 1021207309 /nfs/dbraw/zinc/20/73/09/1021207309.db2.gz TWMRYASRCLNQLS-ZDUSSCGKSA-N -1 1 345.361 3.832 20 0 EHADMM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ncc(C)cc1[O-] ZINC000427238662 1021244202 /nfs/dbraw/zinc/24/42/02/1021244202.db2.gz WXUPVCLTQLNGEL-KRWDZBQOSA-N -1 1 326.440 3.887 20 0 EHADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c(C)c1O ZINC000436800349 1021247183 /nfs/dbraw/zinc/24/71/83/1021247183.db2.gz UUACRISMFORWBT-UHFFFAOYSA-N -1 1 325.286 3.986 20 0 EHADMM CCN(C)C(=O)c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436809746 1021255722 /nfs/dbraw/zinc/25/57/22/1021255722.db2.gz PUVBXXSOEVEFQR-UHFFFAOYSA-N -1 1 348.402 3.890 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3[O-])n[nH]2)c(C)c1 ZINC000436809348 1021256260 /nfs/dbraw/zinc/25/62/60/1021256260.db2.gz SOCLIALGGAQDED-UHFFFAOYSA-N -1 1 325.343 3.791 20 0 EHADMM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccc([O-])cc2F)c1 ZINC000436840519 1021284197 /nfs/dbraw/zinc/28/41/97/1021284197.db2.gz XCWXCMVEKQOYGJ-KPZWWZAWSA-N -1 1 329.371 3.763 20 0 EHADMM O=C(N[C@H]1CCCc2occc21)c1cc(Br)ccc1[O-] ZINC000436840906 1021284334 /nfs/dbraw/zinc/28/43/34/1021284334.db2.gz XWBJIPBBKUZEAW-LBPRGKRZSA-N -1 1 336.185 3.555 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2ccccc2OC(F)F)[C@@H]2CCCC[C@@H]12 ZINC000656765242 1021297165 /nfs/dbraw/zinc/29/71/65/1021297165.db2.gz MZCFHWMBSLWNFI-RRFJBIMHSA-N -1 1 339.382 3.753 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCC(Cc2cccc(F)c2)CC1 ZINC000436867488 1021309387 /nfs/dbraw/zinc/30/93/87/1021309387.db2.gz BYJFANGDQYSDET-UHFFFAOYSA-N -1 1 331.362 3.765 20 0 EHADMM CC(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1F ZINC000436872368 1021315374 /nfs/dbraw/zinc/31/53/74/1021315374.db2.gz MMMCXCROFYKYLF-UHFFFAOYSA-N -1 1 347.733 3.860 20 0 EHADMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000436893071 1021346060 /nfs/dbraw/zinc/34/60/60/1021346060.db2.gz MJPRDQWKWLZJJO-CJNGLKHVSA-N -1 1 325.836 3.759 20 0 EHADMM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000516358562 1021346407 /nfs/dbraw/zinc/34/64/07/1021346407.db2.gz PBAFWTLMOJSNBH-UHFFFAOYSA-N -1 1 339.482 3.910 20 0 EHADMM Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1F ZINC000436916411 1021373076 /nfs/dbraw/zinc/37/30/76/1021373076.db2.gz WFXQIIBNJWQNAG-UHFFFAOYSA-N -1 1 346.749 3.531 20 0 EHADMM Cc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1F ZINC000436916411 1021373090 /nfs/dbraw/zinc/37/30/90/1021373090.db2.gz WFXQIIBNJWQNAG-UHFFFAOYSA-N -1 1 346.749 3.531 20 0 EHADMM COc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1OC(C)C ZINC000518619376 1021374284 /nfs/dbraw/zinc/37/42/84/1021374284.db2.gz SCSQIPBIXQOWSL-UHFFFAOYSA-N -1 1 337.322 3.719 20 0 EHADMM COC1CCC(CCNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436936310 1021395983 /nfs/dbraw/zinc/39/59/83/1021395983.db2.gz AYPQPFWDPVXLRX-UHFFFAOYSA-N -1 1 327.424 3.871 20 0 EHADMM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000436934306 1021396412 /nfs/dbraw/zinc/39/64/12/1021396412.db2.gz XEUXYCOEANIYCS-LBPRGKRZSA-N -1 1 341.304 3.682 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1F ZINC000507612793 1021400426 /nfs/dbraw/zinc/40/04/26/1021400426.db2.gz IWHYGJGNCIOUQN-UHFFFAOYSA-N -1 1 335.400 3.953 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1nc2ccccc2n1C(F)F ZINC000436946956 1021408295 /nfs/dbraw/zinc/40/82/95/1021408295.db2.gz CSKFLXRIWCCENQ-VIFPVBQESA-N -1 1 349.312 3.767 20 0 EHADMM COc1ccc(C(=O)Nc2ccc3cn(C(C)C)nc3c2)c([O-])c1 ZINC000436957105 1021421240 /nfs/dbraw/zinc/42/12/40/1021421240.db2.gz VTFWPJTTYKJZTA-UHFFFAOYSA-N -1 1 325.368 3.584 20 0 EHADMM COc1cccc(C[C@H](C)NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436974548 1021430615 /nfs/dbraw/zinc/43/06/15/1021430615.db2.gz ZONSWCSVAURBNM-AWEZNQCLSA-N -1 1 335.403 3.915 20 0 EHADMM O=C(NCC1(CCOCc2ccccc2)CC1)c1c([O-])cccc1F ZINC000436976750 1021432161 /nfs/dbraw/zinc/43/21/61/1021432161.db2.gz AOMSTWACAHXFIU-UHFFFAOYSA-N -1 1 343.398 3.648 20 0 EHADMM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000436988296 1021440983 /nfs/dbraw/zinc/44/09/83/1021440983.db2.gz LHVHTBODSWJZJE-MGPLVRAMSA-N -1 1 337.778 3.691 20 0 EHADMM CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436987756 1021444396 /nfs/dbraw/zinc/44/43/96/1021444396.db2.gz JSPUAJRZKGDWPI-CYBMUJFWSA-N -1 1 343.448 3.953 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2cccc([S@](C)=O)c2)c([O-])c1 ZINC000436989634 1021446259 /nfs/dbraw/zinc/44/62/59/1021446259.db2.gz OIKCBYZTZGVCFP-DEOSSOPVSA-N -1 1 347.436 3.561 20 0 EHADMM CC1(C)CC[C@H](CNC(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436993833 1021451083 /nfs/dbraw/zinc/45/10/83/1021451083.db2.gz HTCHRIFNUPSTHZ-OAHLLOKOSA-N -1 1 337.419 3.546 20 0 EHADMM CC(C)Oc1ccc(CN2CCC(CC(=O)[O-])CC2)cc1Cl ZINC000516575960 1021563404 /nfs/dbraw/zinc/56/34/04/1021563404.db2.gz IMAALNWAKWODCW-UHFFFAOYSA-N -1 1 325.836 3.814 20 0 EHADMM CCn1c2ccc(C(=O)[O-])cc2nc1C[N@@H+](C)CC1CCCCC1 ZINC000519644741 1021594257 /nfs/dbraw/zinc/59/42/57/1021594257.db2.gz RYQWCMRKPPICFL-UHFFFAOYSA-N -1 1 329.444 3.767 20 0 EHADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCC(C)(C)C)CC2 ZINC000519700750 1021617897 /nfs/dbraw/zinc/61/78/97/1021617897.db2.gz AKMKXRXZYOITNY-MRXNPFEDSA-N -1 1 349.471 3.904 20 0 EHADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)c1cc(F)ccc1F ZINC000518840880 1021619232 /nfs/dbraw/zinc/61/92/32/1021619232.db2.gz AMHYFZLXNUHCEV-LURJTMIESA-N -1 1 346.305 3.762 20 0 EHADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(CC1CCCCC1)C1CC1 ZINC000079415398 1021668276 /nfs/dbraw/zinc/66/82/76/1021668276.db2.gz RRHIIKKPRAZOCH-UHFFFAOYSA-N -1 1 325.412 3.520 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2ccsc2)cc1Cl ZINC000506711785 1021810818 /nfs/dbraw/zinc/81/08/18/1021810818.db2.gz UJOONLDSZBBAFB-UHFFFAOYSA-N -1 1 331.846 3.991 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1 ZINC000520018080 1021865675 /nfs/dbraw/zinc/86/56/75/1021865675.db2.gz GXEPJYGMNGDDCH-UHFFFAOYSA-N -1 1 348.449 3.886 20 0 EHADMM COc1cc(OC)cc(N(C)C(=O)c2cc3ccccc3cc2[O-])c1 ZINC000188235692 1021955466 /nfs/dbraw/zinc/95/54/66/1021955466.db2.gz KSIGIFDLRLXYJI-UHFFFAOYSA-N -1 1 337.375 3.839 20 0 EHADMM CCCCOCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000517046430 1021977919 /nfs/dbraw/zinc/97/79/19/1021977919.db2.gz RQNXWATYIMAYPJ-UHFFFAOYSA-N -1 1 336.613 3.563 20 0 EHADMM CO[C@H](CNC(=O)c1cc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000440340870 1022113987 /nfs/dbraw/zinc/11/39/87/1022113987.db2.gz LIOQDTWEIYLNOS-OAHLLOKOSA-N -1 1 340.206 3.817 20 0 EHADMM CSc1ccc(Cl)c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891632638 1022173463 /nfs/dbraw/zinc/17/34/63/1022173463.db2.gz USISUJMUYSEEEM-UHFFFAOYSA-N -1 1 349.843 3.689 20 0 EHADMM C[C@H]1CNc2c([N-]c3nc4cc(Br)ccc4o3)cnn2C1 ZINC000894947619 1022269754 /nfs/dbraw/zinc/26/97/54/1022269754.db2.gz FWLYZSOJLHGWST-QMMMGPOBSA-N -1 1 348.204 3.592 20 0 EHADMM C[C@@H]1CNc2c([N-]c3nc4cc(Br)ccc4o3)cnn2C1 ZINC000894947617 1022270819 /nfs/dbraw/zinc/27/08/19/1022270819.db2.gz FWLYZSOJLHGWST-MRVPVSSYSA-N -1 1 348.204 3.592 20 0 EHADMM O=S(=O)([N-]CC1CCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000048666208 1022380197 /nfs/dbraw/zinc/38/01/97/1022380197.db2.gz NCDHNVKTZQCJKV-UHFFFAOYSA-N -1 1 328.648 3.725 20 0 EHADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C ZINC000438236154 1022480785 /nfs/dbraw/zinc/48/07/85/1022480785.db2.gz XSKZACFXBAQFKL-UHFFFAOYSA-N -1 1 341.436 3.748 20 0 EHADMM CCCCC1CCC(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000510570378 1022681325 /nfs/dbraw/zinc/68/13/25/1022681325.db2.gz MEVZHRSCGIIWOL-UHFFFAOYSA-N -1 1 341.455 3.650 20 0 EHADMM CCOc1cc(-c2noc([C@H]3CC[C@@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000664846588 1022919079 /nfs/dbraw/zinc/91/90/79/1022919079.db2.gz RGNCRARTTLZYGM-GXSJLCMTSA-N -1 1 338.791 3.777 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000438726285 1022958145 /nfs/dbraw/zinc/95/81/45/1022958145.db2.gz UCKKZIAZINOLOV-UHFFFAOYSA-N -1 1 337.466 3.746 20 0 EHADMM COc1c(Cl)cc(Cl)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000426772098 1023033990 /nfs/dbraw/zinc/03/39/90/1023033990.db2.gz IFLBUIAVPDSSRY-AWEZNQCLSA-N -1 1 340.206 3.918 20 0 EHADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000073743482 1023038675 /nfs/dbraw/zinc/03/86/75/1023038675.db2.gz UNODZBYSFGMJQD-UHFFFAOYSA-N -1 1 333.453 3.800 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(OCC(C)C)c2)o1 ZINC000426797930 1023054514 /nfs/dbraw/zinc/05/45/14/1023054514.db2.gz CNWZURIOGOFMQJ-QGZVFWFLSA-N -1 1 331.412 3.928 20 0 EHADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cnc2ccccc2c1 ZINC000430979902 1023077911 /nfs/dbraw/zinc/07/79/11/1023077911.db2.gz BZZCFRQWVCQRDN-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM COC(=O)c1cc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)oc1C ZINC000430988643 1023095667 /nfs/dbraw/zinc/09/56/67/1023095667.db2.gz MOBSLBCOPSHJHH-VIFPVBQESA-N -1 1 334.397 3.601 20 0 EHADMM O=C([O-])CCN(Cc1ccc(Cl)cc1Br)C1CC1 ZINC000126803479 1023222076 /nfs/dbraw/zinc/22/20/76/1023222076.db2.gz LWXJVHPLOBNHHO-UHFFFAOYSA-N -1 1 332.625 3.542 20 0 EHADMM CCOc1cc(-c2nc(CCCOC(C)C)no2)cc(Cl)c1[O-] ZINC000276861707 1023239917 /nfs/dbraw/zinc/23/99/17/1023239917.db2.gz CQWOLYASKSVMRN-UHFFFAOYSA-N -1 1 340.807 3.852 20 0 EHADMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C)cc1Cl)C(F)(F)F ZINC000548474090 1023423994 /nfs/dbraw/zinc/42/39/94/1023423994.db2.gz WABAORPFRWYEBF-LLVKDONJSA-N -1 1 329.771 3.658 20 0 EHADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)c(Cl)c1OC ZINC000276969467 1023505536 /nfs/dbraw/zinc/50/55/36/1023505536.db2.gz GUFBPZCPPWYTKR-INIZCTEOSA-N -1 1 349.814 3.581 20 0 EHADMM [O-]c1ccc(-c2noc([C@H](C[C@H]3CCCO3)C(F)(F)F)n2)cc1F ZINC000650590753 1024017099 /nfs/dbraw/zinc/01/70/99/1024017099.db2.gz IXBBNDPDNVXWRP-ZJUUUORDSA-N -1 1 346.280 3.796 20 0 EHADMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000093908195 1024099444 /nfs/dbraw/zinc/09/94/44/1024099444.db2.gz HEMVSNXZBXLZDV-LLVKDONJSA-N -1 1 334.213 3.988 20 0 EHADMM COc1ccc(N(C(=O)c2cc(F)ccc2[O-])[C@H](C)C2CC2)cc1 ZINC000094076748 1024202115 /nfs/dbraw/zinc/20/21/15/1024202115.db2.gz QZIRBLNBIVRJAX-GFCCVEGCSA-N -1 1 329.371 3.985 20 0 EHADMM Cc1cc(Br)cc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000062192810 1024269625 /nfs/dbraw/zinc/26/96/25/1024269625.db2.gz RHXAVDBARBFSRS-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000029046444 1024333040 /nfs/dbraw/zinc/33/30/40/1024333040.db2.gz IYPHSDHCFGSAMQ-UHFFFAOYSA-N -1 1 341.379 3.800 20 0 EHADMM Cc1nc(C)c(-c2csc(NC(=O)c3ccccc3[O-])n2)s1 ZINC000192562450 1024449424 /nfs/dbraw/zinc/44/94/24/1024449424.db2.gz YWSHJBYSOFRQKZ-UHFFFAOYSA-N -1 1 331.422 3.841 20 0 EHADMM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccccc2C)c1 ZINC000435145283 1024659473 /nfs/dbraw/zinc/65/94/73/1024659473.db2.gz QAKJVQQFVGXPSN-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM Cc1nc(SCC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[n-]c(=O)c1C ZINC000629169493 1024663296 /nfs/dbraw/zinc/66/32/96/1024663296.db2.gz MRGFKJYTFUIICV-MNOVXSKESA-N -1 1 348.390 3.829 20 0 EHADMM C[C@H](C1CC1)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000514702967 1024683582 /nfs/dbraw/zinc/68/35/82/1024683582.db2.gz LAJVTCUZAPPLET-SECBINFHSA-N -1 1 349.228 3.573 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1-c1ccncc1 ZINC000427659809 1024720536 /nfs/dbraw/zinc/72/05/36/1024720536.db2.gz MCBQBAFVXBVEJC-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c(C)c1 ZINC000474420545 1024931718 /nfs/dbraw/zinc/93/17/18/1024931718.db2.gz GZMCKQXLEWKBBJ-UHFFFAOYSA-N -1 1 349.456 3.575 20 0 EHADMM COC(=O)CC1(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)CC1 ZINC000281392113 1024994187 /nfs/dbraw/zinc/99/41/87/1024994187.db2.gz DNYACNKOBBYKDV-UHFFFAOYSA-N -1 1 344.436 3.593 20 0 EHADMM Cc1noc(C)c1C(C)(C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897951736 1033259732 /nfs/dbraw/zinc/25/97/32/1033259732.db2.gz WZWSVRLCEBXCAJ-UHFFFAOYSA-N -1 1 340.379 3.521 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCS[C@H]2CCCC[C@H]21 ZINC000896892788 1025161976 /nfs/dbraw/zinc/16/19/76/1025161976.db2.gz DPJYRTHHMOJBRR-SJORKVTESA-N -1 1 343.448 3.751 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc(F)cc1F ZINC000442222662 1025220342 /nfs/dbraw/zinc/22/03/42/1025220342.db2.gz OBDXCZQLCSYNRV-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM Cc1cnc(C(=O)N(C)CCOc2ccccc2C(C)(C)C)c([O-])c1 ZINC000435951098 1025247616 /nfs/dbraw/zinc/24/76/16/1025247616.db2.gz 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Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)c(C)c1O ZINC000084460709 1031630035 /nfs/dbraw/zinc/63/00/35/1031630035.db2.gz YGGAXPOCCYVHRO-UHFFFAOYSA-N -1 1 327.405 3.963 20 0 EHADMM O=C([O-])C[C@@H](NCc1cnc(C2CCC2)s1)c1ccccc1F ZINC000904045128 1031665229 /nfs/dbraw/zinc/66/52/29/1031665229.db2.gz HICQCVSSRPTUKA-OAHLLOKOSA-N -1 1 334.416 3.855 20 0 EHADMM CCn1nc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)c2ccccc21 ZINC000904046238 1031667757 /nfs/dbraw/zinc/66/77/57/1031667757.db2.gz XWYQTDQGHGNSSJ-KRWDZBQOSA-N -1 1 337.423 3.670 20 0 EHADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1nccc2c1CCCC2 ZINC000904026757 1031670362 /nfs/dbraw/zinc/67/03/62/1031670362.db2.gz JXEGYUYWTNGOAD-LJQANCHMSA-N -1 1 338.451 3.828 20 0 EHADMM CC(C)COC[C@H](NCc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC000904066965 1031692605 /nfs/dbraw/zinc/69/26/05/1031692605.db2.gz JSPGMDJQJWRXNZ-INIZCTEOSA-N -1 1 333.453 3.631 20 0 EHADMM C[C@H](Oc1ccc(F)c(F)c1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445454885 1031869581 /nfs/dbraw/zinc/86/95/81/1031869581.db2.gz MZIKUDNSZGHTBS-QMMMGPOBSA-N -1 1 336.269 4.000 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)c2cc(C)c(C)c(C)c2C)n1 ZINC000195071361 1032003561 /nfs/dbraw/zinc/00/35/61/1032003561.db2.gz HWFIMYCXPXHGNT-UHFFFAOYSA-N -1 1 330.453 3.541 20 0 EHADMM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1)c1cc(F)ccc1F ZINC000608036603 1033447403 /nfs/dbraw/zinc/44/74/03/1033447403.db2.gz SOXNCUVLKUCFSZ-MRXNPFEDSA-N -1 1 337.391 3.785 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cc(F)c(F)cc1F ZINC000105589562 1033485121 /nfs/dbraw/zinc/48/51/21/1033485121.db2.gz ZUFLMGIXUDCBJE-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM COc1ccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)nc1 ZINC000445447669 1033941363 /nfs/dbraw/zinc/94/13/63/1033941363.db2.gz IRVADDGJVLSJQZ-XVNBXDOJSA-N -1 1 329.743 3.670 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)s1 ZINC000476486264 1033944600 /nfs/dbraw/zinc/94/46/00/1033944600.db2.gz QCGUZIKWGWKAJF-UHFFFAOYSA-N -1 1 343.857 3.967 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 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Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000064621333 1034995259 /nfs/dbraw/zinc/99/52/59/1034995259.db2.gz MFMGXPOQYIVTPF-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM Cc1ccc(-c2nc(CN3[C@H](C)CC(C(=O)[O-])C[C@H]3C)cs2)o1 ZINC000530172475 1035045042 /nfs/dbraw/zinc/04/50/42/1035045042.db2.gz HWNJBBJUSQGAJB-GHMZBOCLSA-N -1 1 334.441 3.785 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(SC)s2)[n-]c1=O ZINC000414083610 1035462927 /nfs/dbraw/zinc/46/29/27/1035462927.db2.gz WKEWXVZMKUULTM-CLFYSBASSA-N -1 1 336.438 3.703 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1c1ccccn1 ZINC000540709869 1035614684 /nfs/dbraw/zinc/61/46/84/1035614684.db2.gz GMIJUNKYCQJNSC-AWEZNQCLSA-N -1 1 336.313 3.783 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc3c[nH]nc3c2)cc(Cl)c1[O-] ZINC000186446975 1035637181 /nfs/dbraw/zinc/63/71/81/1035637181.db2.gz QTEFQSRTYVAMHO-UHFFFAOYSA-N -1 1 331.759 3.573 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCCCCC2CCOCC2)[n-]1 ZINC000540807915 1035700142 /nfs/dbraw/zinc/70/01/42/1035700142.db2.gz NWZLQOLOOZCQOC-UHFFFAOYSA-N -1 1 336.379 3.890 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](C)c2nc(C)cs2)cc(Cl)c1[O-] ZINC000186774973 1035713372 /nfs/dbraw/zinc/71/33/72/1035713372.db2.gz IIRVALDKRDFBBF-VIFPVBQESA-N -1 1 340.832 3.700 20 0 EHADMM Cc1nc(CNC(=O)c2cc3ccccc3cc2[O-])nc2ccccc12 ZINC000588060808 1035715707 /nfs/dbraw/zinc/71/57/07/1035715707.db2.gz IVUNFCQVYYTPQR-UHFFFAOYSA-N -1 1 343.386 3.727 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000188124569 1035901107 /nfs/dbraw/zinc/90/11/07/1035901107.db2.gz BTAYPUVWORILPP-NSHDSACASA-N -1 1 327.409 3.841 20 0 EHADMM C[C@H](Oc1ccccc1Cl)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000588925122 1036186624 /nfs/dbraw/zinc/18/66/24/1036186624.db2.gz DATWRJIGWSGRCX-JTQLQIEISA-N -1 1 347.827 3.620 20 0 EHADMM O=S(=O)(Cc1csc(-c2ccsc2)n1)c1ccc([O-])cc1 ZINC000063927057 1036248248 /nfs/dbraw/zinc/24/82/48/1036248248.db2.gz SPXUCBKQSKNIMZ-UHFFFAOYSA-N -1 1 337.447 3.551 20 0 EHADMM CC(C)C[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000307767951 1036262789 /nfs/dbraw/zinc/26/27/89/1036262789.db2.gz ALHZYCQJJXQYRO-LLVKDONJSA-N -1 1 326.234 3.663 20 0 EHADMM O=C(Nc1ccc(N2CCOC2=O)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000492817778 1036336197 /nfs/dbraw/zinc/33/61/97/1036336197.db2.gz GDRWOVNONIUZKQ-UHFFFAOYSA-N -1 1 347.758 3.646 20 0 EHADMM C[S@](=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000175530372 1036402584 /nfs/dbraw/zinc/40/25/84/1036402584.db2.gz DLHFGDWWJXONOE-QHCPKHFHSA-N -1 1 325.389 3.535 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000589430210 1036426352 /nfs/dbraw/zinc/42/63/52/1036426352.db2.gz PPFANANMGXYWEF-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM CC[C@H](C)c1n[n-]c(=N[C@H](C)[C@@H](OC)c2ccccc2Cl)n1C ZINC000572889030 1036529929 /nfs/dbraw/zinc/52/99/29/1036529929.db2.gz VXHRWAFTSIEFMF-YWPYICTPSA-N -1 1 336.867 3.592 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1OCC1CC1 ZINC000589690825 1036594843 /nfs/dbraw/zinc/59/48/43/1036594843.db2.gz VGWOMYNOYJRAME-UHFFFAOYSA-N -1 1 339.420 3.601 20 0 EHADMM C[C@H]1CCCN(Cc2ccc(Br)cc2Cl)[C@@H]1C(=O)[O-] ZINC000235664220 1036686190 /nfs/dbraw/zinc/68/61/90/1036686190.db2.gz YJRURSAZMSWJQE-ZANVPECISA-N -1 1 346.652 3.788 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000057119919 1036700018 /nfs/dbraw/zinc/70/00/18/1036700018.db2.gz SWMZQYBNPYIXEM-UHFFFAOYSA-N -1 1 349.795 3.556 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(CC)c3)c2C1 ZINC000541933622 1036856620 /nfs/dbraw/zinc/85/66/20/1036856620.db2.gz WMXKBYJPQLJRIT-UHFFFAOYSA-N -1 1 344.480 3.775 20 0 EHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(OCC(F)F)cc1 ZINC000542237244 1037187503 /nfs/dbraw/zinc/18/75/03/1037187503.db2.gz ZRDHQYUBPMBPLV-UHFFFAOYSA-N -1 1 347.770 3.785 20 0 EHADMM O=C(Nc1ccc(SC(F)(F)F)nc1)c1ccc([O-])cc1F ZINC001299194622 1037198211 /nfs/dbraw/zinc/19/82/11/1037198211.db2.gz DRZJKCISNBSTJO-UHFFFAOYSA-N -1 1 332.278 3.791 20 0 EHADMM O=C(N[C@@H]1CCCN(Cc2ccc([S-])cc2)C1)c1ccccc1F ZINC001233262346 1037226062 /nfs/dbraw/zinc/22/60/62/1037226062.db2.gz BYRBUMBOYPOZME-OAHLLOKOSA-N -1 1 344.455 3.509 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000493498148 1037418207 /nfs/dbraw/zinc/41/82/07/1037418207.db2.gz DNNWFOROLGRZNO-OAHLLOKOSA-N -1 1 347.871 3.770 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@@H]3CCC[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000462836664 1037461612 /nfs/dbraw/zinc/46/16/12/1037461612.db2.gz FTLAITAKBHKEFD-BBRMVZONSA-N -1 1 340.471 3.911 20 0 EHADMM CC(C)=CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058149701 1037540214 /nfs/dbraw/zinc/54/02/14/1037540214.db2.gz PNQONJKAJJGGIC-UHFFFAOYSA-N -1 1 344.436 3.701 20 0 EHADMM COc1cc(C(=O)N2CCC(C(C)(C)C)CC2)cc(Cl)c1[O-] ZINC000472924757 1037603070 /nfs/dbraw/zinc/60/30/70/1037603070.db2.gz LHNWDTYHLWHQEG-UHFFFAOYSA-N -1 1 325.836 3.953 20 0 EHADMM CCCCCc1n[n-]c(=NCc2cnc(-c3ccccc3)[nH]2)s1 ZINC000538608383 1038433709 /nfs/dbraw/zinc/43/37/09/1038433709.db2.gz PHVKVFPMYOYGRU-UHFFFAOYSA-N -1 1 327.457 3.695 20 0 EHADMM C[C@H](O)CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000538742285 1038505553 /nfs/dbraw/zinc/50/55/53/1038505553.db2.gz DBSPBOAUMUCDQE-HNNXBMFYSA-N -1 1 335.403 3.569 20 0 EHADMM O=C([N-]c1nc(C2CC2)no1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000780521860 1038712559 /nfs/dbraw/zinc/71/25/59/1038712559.db2.gz IZGLQHAWDJFKLE-UHFFFAOYSA-N -1 1 348.334 3.601 20 0 EHADMM COc1ccc([O-])c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000539366782 1038830591 /nfs/dbraw/zinc/83/05/91/1038830591.db2.gz GJAWBKNQCFFMRW-UHFFFAOYSA-N -1 1 348.207 3.508 20 0 EHADMM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccccc1[O-] ZINC000195623297 1039055194 /nfs/dbraw/zinc/05/51/94/1039055194.db2.gz RRYNWWNXQHAYSC-UHFFFAOYSA-N -1 1 333.391 3.844 20 0 EHADMM CC(C)(NC(=O)c1ccc(Br)c([O-])c1)c1cccs1 ZINC000500614315 1039068170 /nfs/dbraw/zinc/06/81/70/1039068170.db2.gz XHDWSWCXGOTDDU-UHFFFAOYSA-N -1 1 340.242 3.881 20 0 EHADMM O=C(NC1(c2ccccc2)CC1)c1ccc(Br)c([O-])c1 ZINC000488308866 1039073593 /nfs/dbraw/zinc/07/35/93/1039073593.db2.gz CDSNVDILPHFKSI-UHFFFAOYSA-N -1 1 332.197 3.574 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CC=C(c2ccccc2)C1 ZINC000436860474 1039108113 /nfs/dbraw/zinc/10/81/13/1039108113.db2.gz GWRTZDHKLHWXFU-UHFFFAOYSA-N -1 1 344.208 3.694 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC000911073668 1039223859 /nfs/dbraw/zinc/22/38/59/1039223859.db2.gz SRBNBBZHJWYDOP-SFHVURJKSA-N -1 1 340.423 3.715 20 0 EHADMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000485621283 1039319485 /nfs/dbraw/zinc/31/94/85/1039319485.db2.gz PBETYOHHMWTNGX-SFYZADRCSA-N -1 1 328.286 3.912 20 0 EHADMM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000911316020 1039329529 /nfs/dbraw/zinc/32/95/29/1039329529.db2.gz DMLQWAAPUHOAON-MRXNPFEDSA-N -1 1 337.423 3.673 20 0 EHADMM Cc1cc(F)c(NC(=O)[C@@H]2CCCCN2C2CCCC2)cc1C(=O)[O-] ZINC000911687112 1039459579 /nfs/dbraw/zinc/45/95/79/1039459579.db2.gz RPZYJJMBQSCFEA-KRWDZBQOSA-N -1 1 348.418 3.568 20 0 EHADMM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2ccccc2F)n1 ZINC000552852618 1039566365 /nfs/dbraw/zinc/56/63/65/1039566365.db2.gz KTCKHWRAIZICTM-UHFFFAOYSA-N -1 1 346.412 3.930 20 0 EHADMM COc1ccccc1Oc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000109042832 1039605606 /nfs/dbraw/zinc/60/56/06/1039605606.db2.gz SYTIRHVWIRFVQZ-UHFFFAOYSA-N -1 1 336.347 3.840 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)COc3ccccc3Cl)[nH][n-]2)s1 ZINC000500861663 1039613626 /nfs/dbraw/zinc/61/36/26/1039613626.db2.gz UHYYVCAJZKXGLL-UHFFFAOYSA-N -1 1 347.827 3.539 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C)cc1C ZINC000478708324 1039647000 /nfs/dbraw/zinc/64/70/00/1039647000.db2.gz AOFGESQVDGOPFS-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)CSc3ccc(F)cc3)[nH][n-]2)s1 ZINC000500863305 1039767125 /nfs/dbraw/zinc/76/71/25/1039767125.db2.gz RGYMHGXXZHRZQB-UHFFFAOYSA-N -1 1 347.440 3.738 20 0 EHADMM COc1cc(Cl)c(CN2CCC[C@H](CC(=O)[O-])C2)cc1Cl ZINC000570421691 1039828848 /nfs/dbraw/zinc/82/88/48/1039828848.db2.gz QHYFNCXBOYOYTM-SNVBAGLBSA-N -1 1 332.227 3.689 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2)cc1Br ZINC000486123838 1039907571 /nfs/dbraw/zinc/90/75/71/1039907571.db2.gz FHKQAFRZRUNBAX-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM CC(C)(C)n1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000417582055 1040029316 /nfs/dbraw/zinc/02/93/16/1040029316.db2.gz IVZUDXJGYHBSGS-OAHLLOKOSA-N -1 1 335.835 3.597 20 0 EHADMM C[C@@H](OC(C)(C)C)[C@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417591642 1040045471 /nfs/dbraw/zinc/04/54/71/1040045471.db2.gz XJFDKXSCLRECAS-XCBNKYQSSA-N -1 1 340.272 3.801 20 0 EHADMM CCO[C@H]1C[C@H](N=c2nc(C(F)(F)F)[n-]s2)C12CCCCC2 ZINC000553410709 1040050816 /nfs/dbraw/zinc/05/08/16/1040050816.db2.gz NWGUKJCLHVZVIN-UWVGGRQHSA-N -1 1 335.395 3.519 20 0 EHADMM Cc1ccc([C@@H](C)CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000489534812 1040057315 /nfs/dbraw/zinc/05/73/15/1040057315.db2.gz DICGEYOQGFSTBU-LBPRGKRZSA-N -1 1 348.240 3.997 20 0 EHADMM Cc1coc2ccc([N-]S(=O)(=O)c3cc4c(cc3C)OCO4)cc12 ZINC000479232751 1040069127 /nfs/dbraw/zinc/06/91/27/1040069127.db2.gz WQQXNRPGABLIEP-UHFFFAOYSA-N -1 1 345.376 3.579 20 0 EHADMM Cc1nncn1-c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000156769688 1040263643 /nfs/dbraw/zinc/26/36/43/1040263643.db2.gz CRDJIRPOZXPKEH-UHFFFAOYSA-N -1 1 344.374 3.687 20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000512611385 1040285178 /nfs/dbraw/zinc/28/51/78/1040285178.db2.gz KOAZWCYHVPWVNF-UHFFFAOYSA-N -1 1 349.452 3.902 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1c1nccs1 ZINC000364243429 1040558130 /nfs/dbraw/zinc/55/81/30/1040558130.db2.gz XBSMXDHNIBIZLS-LLVKDONJSA-N -1 1 342.342 3.845 20 0 EHADMM CSc1ccc(-c2nsc([N-]C(=O)c3ncccc3F)n2)cc1 ZINC001126364304 1040621875 /nfs/dbraw/zinc/62/18/75/1040621875.db2.gz DVKVHCZVPZPBFO-UHFFFAOYSA-N -1 1 346.412 3.713 20 0 EHADMM O=C(Nc1nc(C2CCCCC2)cs1)c1cnc(C2CC2)[n-]c1=O ZINC000913425465 1040815708 /nfs/dbraw/zinc/81/57/08/1040815708.db2.gz VRRKCGVXCGBVQV-UHFFFAOYSA-N -1 1 344.440 3.816 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000651498149 1040856896 /nfs/dbraw/zinc/85/68/96/1040856896.db2.gz OSZQTSZJSZQBPE-OALUTQOASA-N -1 1 341.451 3.640 20 0 EHADMM CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000481450915 1040921201 /nfs/dbraw/zinc/92/12/01/1040921201.db2.gz JMHKSQUKFSBKHY-UHFFFAOYSA-N -1 1 325.352 3.763 20 0 EHADMM CCC(CC)n1nccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000433184907 1041018895 /nfs/dbraw/zinc/01/88/95/1041018895.db2.gz YRCXEJOUCTXJKK-UHFFFAOYSA-N -1 1 339.399 3.592 20 0 EHADMM CCCOc1ccc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc1 ZINC000555774012 1041129707 /nfs/dbraw/zinc/12/97/07/1041129707.db2.gz ZGLUGAJGHHCOCE-ACCUITESSA-N -1 1 342.395 3.708 20 0 EHADMM CCOC(=O)[C@@H](Sc1ncc(C)c(=O)[n-]1)c1cccc(Cl)c1 ZINC000571344698 1041272353 /nfs/dbraw/zinc/27/23/53/1041272353.db2.gz JBSHFQICXJDTMS-LBPRGKRZSA-N -1 1 338.816 3.541 20 0 EHADMM CC(C)(C)c1nc(CCNCc2c(F)ccc(O)c2F)cs1 ZINC000511844791 1041692052 /nfs/dbraw/zinc/69/20/52/1041692052.db2.gz NIONREYQXYOMCB-UHFFFAOYSA-N -1 1 326.412 3.757 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000652496317 1042505924 /nfs/dbraw/zinc/50/59/24/1042505924.db2.gz RTXMURJEBUTNFO-ZDUSSCGKSA-N -1 1 332.375 3.558 20 0 EHADMM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1c([O-])cccc1F ZINC000185867303 1042643665 /nfs/dbraw/zinc/64/36/65/1042643665.db2.gz ZJVBGRPNZWCJGP-GOSISDBHSA-N -1 1 340.329 3.585 20 0 EHADMM CCc1oc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000162006175 1042703588 /nfs/dbraw/zinc/70/35/88/1042703588.db2.gz WCFWPBHSDGEXOX-UHFFFAOYSA-N -1 1 341.407 3.591 20 0 EHADMM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667304 1042994319 /nfs/dbraw/zinc/99/43/19/1042994319.db2.gz UAHLAFMSUKSMSR-UHFFFAOYSA-N -1 1 327.771 3.792 20 0 EHADMM O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc([O-])c(Cl)c1 ZINC000111668233 1042994781 /nfs/dbraw/zinc/99/47/81/1042994781.db2.gz LKVTYHSLJMLWGW-UHFFFAOYSA-N -1 1 349.799 3.728 20 0 EHADMM O=C(NC[C@@H]1CCCCC1(F)F)c1ccc(Br)c([O-])c1 ZINC000391112801 1043831532 /nfs/dbraw/zinc/83/15/32/1043831532.db2.gz ZWBYRFCWKBZUPP-JTQLQIEISA-N -1 1 348.187 3.710 20 0 EHADMM COC(=O)c1c[n-]c(SCCCOc2cccc3ccccc32)n1 ZINC000432680994 1044778995 /nfs/dbraw/zinc/77/89/95/1044778995.db2.gz ZSVFQKGZMCNMEM-UHFFFAOYSA-N -1 1 342.420 3.911 20 0 EHADMM COc1cc(C(=O)N(C)C[C@H]2CCc3ccccc32)cc(Cl)c1[O-] ZINC000620682972 1125641760 /nfs/dbraw/zinc/64/17/60/1125641760.db2.gz LLYTXDUBBCOGHU-CYBMUJFWSA-N -1 1 345.826 3.856 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000153939591 1125677132 /nfs/dbraw/zinc/67/71/32/1125677132.db2.gz FJXGLULRDONNDC-RYUDHWBXSA-N -1 1 333.815 3.976 20 0 EHADMM CCC[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000154054799 1125688183 /nfs/dbraw/zinc/68/81/83/1125688183.db2.gz DXEMZDIYPXFRTN-LLVKDONJSA-N -1 1 326.234 3.807 20 0 EHADMM Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc([O-])cc1F ZINC000154858013 1125761218 /nfs/dbraw/zinc/76/12/18/1125761218.db2.gz OOEJGGSYTRNWAD-UHFFFAOYSA-N -1 1 342.395 3.893 20 0 EHADMM Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622478759 1126705380 /nfs/dbraw/zinc/70/53/80/1126705380.db2.gz SGIOWZVWVWJEFQ-UHFFFAOYSA-N -1 1 335.232 3.632 20 0 EHADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)no1 ZINC000343873745 1126892076 /nfs/dbraw/zinc/89/20/76/1126892076.db2.gz NIIVNSRXXKTCGO-SREVYHEPSA-N -1 1 344.396 3.839 20 0 EHADMM [O-]c1ccc(Br)c(CN2CCC[C@H]2C(F)(F)F)c1F ZINC001238304110 1126960134 /nfs/dbraw/zinc/96/01/34/1126960134.db2.gz ACBNKPWOBGVPRO-JTQLQIEISA-N -1 1 342.130 3.821 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000179533889 1127069677 /nfs/dbraw/zinc/06/96/77/1127069677.db2.gz FFMXKJVUHMFXEB-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM COc1cc(-c2nc(CC3CC(F)(F)C3)no2)cc(Cl)c1[O-] ZINC000351174808 1127150153 /nfs/dbraw/zinc/15/01/53/1127150153.db2.gz ZIYLVFGKCFLINB-UHFFFAOYSA-N -1 1 330.718 3.692 20 0 EHADMM COc1cc(C(=O)[N-]c2nc3c(ccc4ccccc34)s2)on1 ZINC000183324149 1127372085 /nfs/dbraw/zinc/37/20/85/1127372085.db2.gz XYPQBTYRSKAGIV-UHFFFAOYSA-N -1 1 325.349 3.698 20 0 EHADMM CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000031306372 1127832362 /nfs/dbraw/zinc/83/23/62/1127832362.db2.gz MUNXFLKRRWSTAC-ZDUSSCGKSA-N -1 1 348.402 3.995 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000073420916 1128323148 /nfs/dbraw/zinc/32/31/48/1128323148.db2.gz VTKFXYGSLASYGF-UHFFFAOYSA-N -1 1 331.799 3.771 20 0 EHADMM O=C(CSc1nc2ccccc2o1)Nc1ccc([O-])c(Cl)c1 ZINC000111665913 1128345739 /nfs/dbraw/zinc/34/57/39/1128345739.db2.gz YYJWKCVDEKCTRU-UHFFFAOYSA-N -1 1 334.784 3.918 20 0 EHADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)s1 ZINC000350484076 1128460384 /nfs/dbraw/zinc/46/03/84/1128460384.db2.gz VXYIEJSWDZPVKI-UHFFFAOYSA-N -1 1 334.825 3.662 20 0 EHADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2)o1 ZINC000055582445 1128524268 /nfs/dbraw/zinc/52/42/68/1128524268.db2.gz CBFZWGKZSOIFOK-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000107211233 1128528422 /nfs/dbraw/zinc/52/84/22/1128528422.db2.gz QRLRMGDONGUNAX-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc(N(C)C)cc2)cc(Cl)c1[O-] ZINC000186445891 1128640714 /nfs/dbraw/zinc/64/07/14/1128640714.db2.gz GTJJBWKXFSSBRO-UHFFFAOYSA-N -1 1 334.803 3.763 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC=C(c2ccco2)C1 ZINC000672066661 1128652144 /nfs/dbraw/zinc/65/21/44/1128652144.db2.gz OCOKZKHOMYPCTA-UHFFFAOYSA-N -1 1 337.297 3.934 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1(Cc2ccc(F)cc2)CC1 ZINC001687491019 1128830528 /nfs/dbraw/zinc/83/05/28/1128830528.db2.gz QXYBONWEHMUXDW-UHFFFAOYSA-N -1 1 348.805 3.759 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000006919620 1128832895 /nfs/dbraw/zinc/83/28/95/1128832895.db2.gz LLJYSSGPNIBZAF-UHFFFAOYSA-N -1 1 332.208 3.803 20 0 EHADMM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672214179 1128851864 /nfs/dbraw/zinc/85/18/64/1128851864.db2.gz PHIQEZXSCCHZSE-WCQYABFASA-N -1 1 345.361 3.567 20 0 EHADMM Cc1cc(C)cc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC001670550120 1120085292 /nfs/dbraw/zinc/08/52/92/1120085292.db2.gz FHVCCWUZUPYNSN-UHFFFAOYSA-N -1 1 345.798 3.714 20 0 EHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)sc1Br ZINC000081781729 1120221794 /nfs/dbraw/zinc/22/17/94/1120221794.db2.gz IDTMVODFIZTSBE-UHFFFAOYSA-N -1 1 330.178 3.916 20 0 EHADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000186971229 1120481726 /nfs/dbraw/zinc/48/17/26/1120481726.db2.gz XSAOMGXPJOODKP-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COC(=O)c1c[n-]c(SCc2nc3ccccc3c(C)c2Cl)n1 ZINC000187589883 1120504505 /nfs/dbraw/zinc/50/45/05/1120504505.db2.gz LPZPLRSHXGFFIG-UHFFFAOYSA-N -1 1 347.827 3.999 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccccc1O[C@@H]1CCOC1 ZINC000190977472 1120656978 /nfs/dbraw/zinc/65/69/78/1120656978.db2.gz ABXSBPYLPRWAQR-GFCCVEGCSA-N -1 1 348.786 3.857 20 0 EHADMM [O-]c1ccc(-c2nc(Cc3cccc(Br)c3)no2)c(F)c1 ZINC000230225931 1120999210 /nfs/dbraw/zinc/99/92/10/1120999210.db2.gz REXFBRLNNMFOSF-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM CC(=O)c1cc(F)c([N-]C(=O)c2nncc3ccccc32)c(F)c1F ZINC001127321547 1121000564 /nfs/dbraw/zinc/00/05/64/1121000564.db2.gz OHZIJJMKHPQEAZ-UHFFFAOYSA-N -1 1 345.280 3.502 20 0 EHADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000231328891 1121028170 /nfs/dbraw/zinc/02/81/70/1121028170.db2.gz GDIIOKYBBOKIEZ-CMPLNLGQSA-N -1 1 326.234 3.711 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1O ZINC000762456669 1121310520 /nfs/dbraw/zinc/31/05/20/1121310520.db2.gz UNWUEAQVTLPMGJ-UHFFFAOYSA-N -1 1 331.437 3.689 20 0 EHADMM O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc2c(c1)CCCC2 ZINC000470451260 1121344111 /nfs/dbraw/zinc/34/41/11/1121344111.db2.gz GWCZVZIRTZXIFW-UHFFFAOYSA-N -1 1 349.427 3.715 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000315737217 1121515613 /nfs/dbraw/zinc/51/56/13/1121515613.db2.gz GKPBJBLNNYIZFT-SNVBAGLBSA-N -1 1 333.762 3.628 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c1 ZINC000074983912 1121714185 /nfs/dbraw/zinc/71/41/85/1121714185.db2.gz MUUGYVSAAIYNTB-UHFFFAOYSA-N -1 1 347.436 3.786 20 0 EHADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)oc1C ZINC000054294050 1121751741 /nfs/dbraw/zinc/75/17/41/1121751741.db2.gz UMYAAICDPJCKLB-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000496659361 1122144118 /nfs/dbraw/zinc/14/41/18/1122144118.db2.gz KXYISXIKMFMILZ-UHFFFAOYSA-N -1 1 348.424 3.591 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000126047770 1122383615 /nfs/dbraw/zinc/38/36/15/1122383615.db2.gz IKJPFFWNOAUEMO-HNNXBMFYSA-N -1 1 330.815 3.762 20 0 EHADMM Cc1c(=O)[n-]c(SCOC(=O)CC(C)C)nc1-c1ccccc1 ZINC000917468198 1122615816 /nfs/dbraw/zinc/61/58/16/1122615816.db2.gz LKYLWUKGHHFSIO-UHFFFAOYSA-N -1 1 332.425 3.797 20 0 EHADMM CC(C)c1noc(-c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])n1 ZINC000130810855 1123004127 /nfs/dbraw/zinc/00/41/27/1123004127.db2.gz QXOHPWYQVMSWBF-UHFFFAOYSA-N -1 1 345.277 3.676 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1 ZINC000194862039 1123013579 /nfs/dbraw/zinc/01/35/79/1123013579.db2.gz VBXNVAQQFKGJRI-UHFFFAOYSA-N -1 1 334.422 3.659 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c(C)c1 ZINC000072576987 1123121942 /nfs/dbraw/zinc/12/19/42/1123121942.db2.gz KKRQWXLFXLFYOC-UHFFFAOYSA-N -1 1 330.453 3.704 20 0 EHADMM O=S(=O)([N-]C12CC3CC(CC(C3)C1)C2)c1cc2ccccc2o1 ZINC000556802771 1123125854 /nfs/dbraw/zinc/12/58/54/1123125854.db2.gz GDRPNBOEIQWFFD-UHFFFAOYSA-N -1 1 331.437 3.680 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1F)c1cc(Cl)sc1Cl ZINC000131509515 1123126558 /nfs/dbraw/zinc/12/65/58/1123126558.db2.gz AEKBIKGHVNJTKY-UHFFFAOYSA-N -1 1 342.200 3.700 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCC12CCCCC2)c1cc(F)c(F)cc1F ZINC001212488213 1129121815 /nfs/dbraw/zinc/12/18/15/1129121815.db2.gz WDFLKVSIMLQXLB-OAHLLOKOSA-N -1 1 347.402 3.885 20 0 EHADMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1c([O-])cccc1Cl ZINC000920463531 1123371705 /nfs/dbraw/zinc/37/17/05/1123371705.db2.gz RBJSGHYMHVNOBR-VIFPVBQESA-N -1 1 341.741 3.521 20 0 EHADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1c([O-])cccc1Cl ZINC000920464693 1123371761 /nfs/dbraw/zinc/37/17/61/1123371761.db2.gz QTMHAOATYKZXOS-KBXCAEBGSA-N -1 1 345.826 3.943 20 0 EHADMM C[C@H]1CCCC[C@H]1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000920727760 1123416351 /nfs/dbraw/zinc/41/63/51/1123416351.db2.gz LVNCCSCKEGTTFA-STQMWFEESA-N -1 1 330.380 3.758 20 0 EHADMM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1F)c1cc2ccccc2o1 ZINC000134207444 1123500709 /nfs/dbraw/zinc/50/07/09/1123500709.db2.gz QYFGZYLSJJGNBJ-RISCZKNCSA-N -1 1 349.358 3.545 20 0 EHADMM Cc1cc([C@@H]2CN(C(=O)c3ccc(Cl)cc3[O-])CCO2)ccc1F ZINC000135264923 1123595968 /nfs/dbraw/zinc/59/59/68/1123595968.db2.gz HVJKPKNKNYTAKV-KRWDZBQOSA-N -1 1 349.789 3.707 20 0 EHADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C)cc3F)c2C)o1 ZINC000135405022 1123609551 /nfs/dbraw/zinc/60/95/51/1123609551.db2.gz UOXLWLYMOAERJE-UHFFFAOYSA-N -1 1 349.387 3.535 20 0 EHADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328424 1123983875 /nfs/dbraw/zinc/98/38/75/1123983875.db2.gz LDRGLHHMFLSHPJ-MOPGFXCFSA-N -1 1 337.419 3.760 20 0 EHADMM CC(C)CCc1nnc([N-]C(=O)c2cc(F)c(F)cc2F)s1 ZINC000617095348 1124083344 /nfs/dbraw/zinc/08/33/44/1124083344.db2.gz LPJXMDONOKSFLZ-UHFFFAOYSA-N -1 1 329.347 3.796 20 0 EHADMM C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)c1ncccc1[O-] ZINC000617516104 1124620837 /nfs/dbraw/zinc/62/08/37/1124620837.db2.gz SORSQCVARBZLPU-GOSISDBHSA-N -1 1 330.815 3.678 20 0 EHADMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582509 1125367823 /nfs/dbraw/zinc/36/78/23/1125367823.db2.gz WKHAVBFZWBOPLE-YPMHNXCESA-N -1 1 333.375 3.815 20 0 EHADMM COc1ccc2c(c1)N(C(=O)c1cc(SC)ccc1[O-])CCC2 ZINC000619940124 1125435289 /nfs/dbraw/zinc/43/52/89/1125435289.db2.gz RIYCORZDVWIVKE-UHFFFAOYSA-N -1 1 329.421 3.716 20 0 EHADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCC(F)CC1 ZINC000619956773 1125435787 /nfs/dbraw/zinc/43/57/87/1125435787.db2.gz DYQGFFAGYPAATE-BMQDGWLCSA-N -1 1 344.224 3.801 20 0 EHADMM CSCc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000066588295 1129190002 /nfs/dbraw/zinc/19/00/02/1129190002.db2.gz BFOHVTVMDLNACT-UHFFFAOYSA-N -1 1 335.450 3.553 20 0 EHADMM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000673150866 1129213177 /nfs/dbraw/zinc/21/31/77/1129213177.db2.gz FOZFBQQTQXSQKO-GTNSWQLSSA-N -1 1 349.789 3.787 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)C(F)(F)F ZINC000673576130 1129578770 /nfs/dbraw/zinc/57/87/70/1129578770.db2.gz CDMIHSOERSLZLP-QMMMGPOBSA-N -1 1 337.750 3.722 20 0 EHADMM CCc1cc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)no1 ZINC000888448460 1129606518 /nfs/dbraw/zinc/60/65/18/1129606518.db2.gz RUAJTARYDPAIAP-UHFFFAOYSA-N -1 1 328.397 3.625 20 0 EHADMM O=S(=O)(c1ccc([O-])cc1)c1ccc(OC2CCCCC2)cc1 ZINC000225694731 1129717315 /nfs/dbraw/zinc/71/73/15/1129717315.db2.gz PXGKTTGSUKNOFL-UHFFFAOYSA-N -1 1 332.421 3.937 20 0 EHADMM CC[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(C)cc1 ZINC000156890560 1129742006 /nfs/dbraw/zinc/74/20/06/1129742006.db2.gz HBRIAPZZKCOALA-SNVBAGLBSA-N -1 1 326.322 3.654 20 0 EHADMM CCC[C@H](CC1CCCCC1)C(=O)NCCn1c(C)n[n-]c1=S ZINC000073942340 1129858942 /nfs/dbraw/zinc/85/89/42/1129858942.db2.gz VNSDHRTXJYPXQR-OAHLLOKOSA-N -1 1 338.521 3.752 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)c1 ZINC000673885843 1129895692 /nfs/dbraw/zinc/89/56/92/1129895692.db2.gz ZLQVVPOTNXNFMM-UHFFFAOYSA-N -1 1 343.857 3.871 20 0 EHADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000674324529 1130065435 /nfs/dbraw/zinc/06/54/35/1130065435.db2.gz OBTMYWUSMBEAHM-KXBFYZLASA-N -1 1 343.398 3.771 20 0 EHADMM O=C(c1ncccc1[O-])N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000428172551 1130143800 /nfs/dbraw/zinc/14/38/00/1130143800.db2.gz FIEGHWDVPCJWTM-CMUBDUJZSA-N -1 1 328.437 3.947 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c1Cl ZINC000675637138 1130442474 /nfs/dbraw/zinc/44/24/74/1130442474.db2.gz IRRHIRQFLNGVHK-MRVPVSSYSA-N -1 1 344.210 3.768 20 0 EHADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000727798147 1130595422 /nfs/dbraw/zinc/59/54/22/1130595422.db2.gz XBYDMFPQXAEFME-UHFFFAOYSA-N -1 1 347.436 3.671 20 0 EHADMM CCC(CC)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360060 1130703066 /nfs/dbraw/zinc/70/30/66/1130703066.db2.gz CUZCQKGGVPYCPL-MRVPVSSYSA-N -1 1 348.226 3.549 20 0 EHADMM Cc1c(CNC(=O)c2c(F)ccc([O-])c2F)oc2ccc(F)cc12 ZINC000348080576 1131142808 /nfs/dbraw/zinc/14/28/08/1131142808.db2.gz TWTGEGXEUIANRI-UHFFFAOYSA-N -1 1 335.281 3.794 20 0 EHADMM Cc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])nc1 ZINC000740921353 1131558705 /nfs/dbraw/zinc/55/87/05/1131558705.db2.gz KEKIUWMSOVYJGS-UHFFFAOYSA-N -1 1 343.383 3.695 20 0 EHADMM CCc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000743784523 1131975821 /nfs/dbraw/zinc/97/58/21/1131975821.db2.gz LCHKMAGXWGKYEI-UHFFFAOYSA-N -1 1 344.842 3.570 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2csc3c2CCCC3)c1 ZINC000744566331 1132119546 /nfs/dbraw/zinc/11/95/46/1132119546.db2.gz DBXFCPICZPYFKI-UHFFFAOYSA-N -1 1 344.432 3.935 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000744872326 1132160346 /nfs/dbraw/zinc/16/03/46/1132160346.db2.gz IKCRKKOLPHMUHT-CYBMUJFWSA-N -1 1 344.382 3.698 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000744954268 1132171715 /nfs/dbraw/zinc/17/17/15/1132171715.db2.gz LBDLWCWOOUWPPO-UHFFFAOYSA-N -1 1 332.783 3.956 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)c2cccc(C)c2)c1 ZINC000745070448 1132187241 /nfs/dbraw/zinc/18/72/41/1132187241.db2.gz AFWNBQGEHQBZHU-AWEZNQCLSA-N -1 1 326.392 3.793 20 0 EHADMM O=C(c1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1)N1CCCC1 ZINC001174173124 1132267734 /nfs/dbraw/zinc/26/77/34/1132267734.db2.gz LYUZGENLIWCUER-UHFFFAOYSA-N -1 1 348.406 3.558 20 0 EHADMM Cn1ncc2ccc(Nc3ccc(F)c(Br)c3[O-])cc21 ZINC001174341380 1132323953 /nfs/dbraw/zinc/32/39/53/1132323953.db2.gz FBORYHOSZUCSKE-UHFFFAOYSA-N -1 1 336.164 3.924 20 0 EHADMM [O-]c1cc(Nc2ccc(CN3CCOCC3)cc2)c(F)cc1Cl ZINC001174445354 1132361290 /nfs/dbraw/zinc/36/12/90/1132361290.db2.gz FKWBPTBBCZFJFO-UHFFFAOYSA-N -1 1 336.794 3.761 20 0 EHADMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)c(OC)c1OC ZINC001174901451 1132498031 /nfs/dbraw/zinc/49/80/31/1132498031.db2.gz PNMKOXBTNCWYQK-UHFFFAOYSA-N -1 1 327.739 3.954 20 0 EHADMM C[S@@](=O)c1ccc(Nc2ccc(F)c(Br)c2[O-])cc1 ZINC001175479845 1132679573 /nfs/dbraw/zinc/67/95/73/1132679573.db2.gz TXSUZRAXFWWKKR-LJQANCHMSA-N -1 1 344.205 3.775 20 0 EHADMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1coc(C2CCC2)n1 ZINC000766667232 1132726743 /nfs/dbraw/zinc/72/67/43/1132726743.db2.gz SFRNMJVNZIPTOK-UHFFFAOYSA-N -1 1 344.371 3.852 20 0 EHADMM Nc1cc2cnn(-c3ccc(Cl)c([O-])c3)c2c(Br)c1 ZINC001212592599 1132812337 /nfs/dbraw/zinc/81/23/37/1132812337.db2.gz XVWDAWPGIHGQCJ-UHFFFAOYSA-N -1 1 338.592 3.729 20 0 EHADMM CC[C@H]1CCCC[C@H]1OCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000766815714 1132854647 /nfs/dbraw/zinc/85/46/47/1132854647.db2.gz OCUZLXHNDUBZHZ-HNAYVOBHSA-N -1 1 348.439 3.666 20 0 EHADMM CN(C)C(=O)c1cc(Nc2ccnc(Cl)c2[O-])ccc1Cl ZINC001176152307 1132865077 /nfs/dbraw/zinc/86/50/77/1132865077.db2.gz XTJOAANLSVFFGU-UHFFFAOYSA-N -1 1 326.183 3.539 20 0 EHADMM COc1ccc(Nc2ccc(F)c(Br)c2[O-])cc1O ZINC001176261263 1132898478 /nfs/dbraw/zinc/89/84/78/1132898478.db2.gz YYTJXTPGYYKRNX-UHFFFAOYSA-N -1 1 328.137 3.752 20 0 EHADMM CNC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1Cl ZINC001176672416 1132979515 /nfs/dbraw/zinc/97/95/15/1132979515.db2.gz KAYUAQIHBPMFKI-UHFFFAOYSA-N -1 1 330.693 3.566 20 0 EHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(OC)c1OC ZINC001176672340 1132979849 /nfs/dbraw/zinc/97/98/49/1132979849.db2.gz GPLBETVCUKRLCW-UHFFFAOYSA-N -1 1 329.274 3.579 20 0 EHADMM Cc1ccc2c(c1)S[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)C2 ZINC001176988921 1133017492 /nfs/dbraw/zinc/01/74/92/1133017492.db2.gz VBZNQRDFDGPZCN-INIZCTEOSA-N -1 1 333.840 3.687 20 0 EHADMM O=C(CCc1cnc2ccccc2c1)NCc1ccc([O-])c(Cl)c1 ZINC001176993614 1133019995 /nfs/dbraw/zinc/01/99/95/1133019995.db2.gz GPJORBZHAMHWHI-UHFFFAOYSA-N -1 1 340.810 3.843 20 0 EHADMM Cc1c([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[nH]c1C1CC1 ZINC000768861788 1133199680 /nfs/dbraw/zinc/19/96/80/1133199680.db2.gz KAGAYMVVCHRWBI-BQYQJAHWSA-N -1 1 337.832 3.662 20 0 EHADMM O=C(N[C@@H]1CCSC2(CCC2)C1)c1ccc2ccc(O)cc2c1[O-] ZINC001179797009 1133284471 /nfs/dbraw/zinc/28/44/71/1133284471.db2.gz ZTYBJRHKLDNZLL-CYBMUJFWSA-N -1 1 343.448 3.799 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000769721495 1133335584 /nfs/dbraw/zinc/33/55/84/1133335584.db2.gz AJYLSDXZFRWYDH-HNNXBMFYSA-N -1 1 345.826 3.867 20 0 EHADMM Cc1ccccc1[C@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@H](C)CO1 ZINC000769919745 1133359436 /nfs/dbraw/zinc/35/94/36/1133359436.db2.gz FVTOUTWORVABNW-CXAGYDPISA-N -1 1 345.826 3.956 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(-n2cccn2)c1 ZINC000769934583 1133369027 /nfs/dbraw/zinc/36/90/27/1133369027.db2.gz XLWRUMVQVWWAQX-LBPRGKRZSA-N -1 1 341.798 3.722 20 0 EHADMM O=C(Nc1c[n-][nH]c1=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001183561493 1133823611 /nfs/dbraw/zinc/82/36/11/1133823611.db2.gz DCJHMILNFANQRY-HNNXBMFYSA-N -1 1 343.383 3.727 20 0 EHADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1OC(C)C ZINC000787630841 1134022134 /nfs/dbraw/zinc/02/21/34/1134022134.db2.gz TZBSPVBMWCDJRP-UHFFFAOYSA-N -1 1 343.427 3.962 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185524209 1134103370 /nfs/dbraw/zinc/10/33/70/1134103370.db2.gz DPBFGEYLTKVEOX-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COC(=O)c1cnc(SCSCc2ccc(Cl)cc2)[n-]1 ZINC000788504135 1134133469 /nfs/dbraw/zinc/13/34/69/1134133469.db2.gz CIPKSFOEWCJDAC-UHFFFAOYSA-N -1 1 328.846 3.833 20 0 EHADMM COC(=O)c1c[n-]c(SCSCc2ccc(Cl)cc2)n1 ZINC000788504135 1134133471 /nfs/dbraw/zinc/13/34/71/1134133471.db2.gz CIPKSFOEWCJDAC-UHFFFAOYSA-N -1 1 328.846 3.833 20 0 EHADMM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185942809 1134149916 /nfs/dbraw/zinc/14/99/16/1134149916.db2.gz CWAHFOVWLICPFS-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c2ccccc12 ZINC001185991480 1134154293 /nfs/dbraw/zinc/15/42/93/1134154293.db2.gz RDIVPFUWHAMRFJ-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CN(C)C)sc1Cl ZINC000788842968 1134181840 /nfs/dbraw/zinc/18/18/40/1134181840.db2.gz KXANAYIUXMWLMJ-UHFFFAOYSA-N -1 1 344.889 3.572 20 0 EHADMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccc([O-])c(F)c1 ZINC001186234110 1134184043 /nfs/dbraw/zinc/18/40/43/1134184043.db2.gz QLXIKPUXARLASR-QABNGEJJSA-N -1 1 325.383 3.843 20 0 EHADMM O=C(Nc1ncccc1OCc1ccccc1)c1ccc([O-])cc1F ZINC001186311020 1134198937 /nfs/dbraw/zinc/19/89/37/1134198937.db2.gz KPGOJOBQXYTJIO-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM CN1CCc2cc([N-]S(=O)(=O)c3csc4ccccc43)ccc21 ZINC001186508382 1134226565 /nfs/dbraw/zinc/22/65/65/1134226565.db2.gz GRLUJBWUUXBPEZ-UHFFFAOYSA-N -1 1 344.461 3.694 20 0 EHADMM O=C(Nc1ccc(Br)cc1Cl)Nc1ncccc1[O-] ZINC001187309642 1134325092 /nfs/dbraw/zinc/32/50/92/1134325092.db2.gz FAWRKCOCGXGJIY-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1c([O-])cccc1Cl ZINC000789870825 1134339463 /nfs/dbraw/zinc/33/94/63/1134339463.db2.gz VLALNPRKYUFILL-LBPRGKRZSA-N -1 1 348.805 3.536 20 0 EHADMM Cc1cccnc1[N-]S(=O)(=O)CCc1cccc2ccccc21 ZINC001187608355 1134355998 /nfs/dbraw/zinc/35/59/98/1134355998.db2.gz QQLDPIOPOOXJEP-UHFFFAOYSA-N -1 1 326.421 3.528 20 0 EHADMM COc1ccc(CCC(=O)Nc2nc(Cl)ccc2[O-])cc1Cl ZINC000790050843 1134365794 /nfs/dbraw/zinc/36/57/94/1134365794.db2.gz LJECZTRSNBIZSD-UHFFFAOYSA-N -1 1 341.194 3.674 20 0 EHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccnc2Cl)c1C ZINC000775144036 1134386657 /nfs/dbraw/zinc/38/66/57/1134386657.db2.gz DHJBIFOYCNPUBM-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1c(F)cccc1Cl ZINC001187829537 1134392310 /nfs/dbraw/zinc/39/23/10/1134392310.db2.gz QNXHJYQMXMMZOO-MRVPVSSYSA-N -1 1 349.761 3.797 20 0 EHADMM Cc1cc(O)cc(C)c1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588693 1134485230 /nfs/dbraw/zinc/48/52/30/1134485230.db2.gz GNAIKGSUAIMGJP-UHFFFAOYSA-N -1 1 325.286 3.986 20 0 EHADMM CC(C)(C)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])n[nH]1 ZINC001189248614 1134557428 /nfs/dbraw/zinc/55/74/28/1134557428.db2.gz KNETYSOCPNRNDN-UHFFFAOYSA-N -1 1 327.306 3.684 20 0 EHADMM CCCCOc1ccc(NC(=O)NCC(=O)c2ccc([O-])cc2)cc1 ZINC001189335240 1134573204 /nfs/dbraw/zinc/57/32/04/1134573204.db2.gz VXHWUKQFWZDNSX-UHFFFAOYSA-N -1 1 342.395 3.576 20 0 EHADMM CC(C)C(C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C(C)C ZINC001189392690 1134578966 /nfs/dbraw/zinc/57/89/66/1134578966.db2.gz IXVQDMXCGJOCNJ-UHFFFAOYSA-N -1 1 339.288 3.595 20 0 EHADMM CCOc1ccc2c(c1)[C@H](NC(=O)c1c([O-])cccc1Cl)CCO2 ZINC000775348440 1134658273 /nfs/dbraw/zinc/65/82/73/1134658273.db2.gz KDSKWZSMVCSUPK-CQSZACIVSA-N -1 1 347.798 3.698 20 0 EHADMM CN(C(=O)c1cnc(-c2ccccc2)[n-]c1=O)[C@H]1CCc2ccccc21 ZINC001190270431 1134675282 /nfs/dbraw/zinc/67/52/82/1134675282.db2.gz MKVJKSUYKCMSPY-SFHVURJKSA-N -1 1 345.402 3.609 20 0 EHADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc21 ZINC001190506107 1134707779 /nfs/dbraw/zinc/70/77/79/1134707779.db2.gz HHMWZKLYOGVFCW-UHFFFAOYSA-N -1 1 326.421 3.857 20 0 EHADMM CCc1cccc(CC)c1NC(=O)c1cnc(-c2ccccn2)[nH]c1=O ZINC001190631633 1134729702 /nfs/dbraw/zinc/72/97/02/1134729702.db2.gz BJYAJHQPOWGVHU-UHFFFAOYSA-N -1 1 348.406 3.621 20 0 EHADMM CCc1cccc(CC)c1NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190631633 1134729705 /nfs/dbraw/zinc/72/97/05/1134729705.db2.gz BJYAJHQPOWGVHU-UHFFFAOYSA-N -1 1 348.406 3.621 20 0 EHADMM Cc1cnc(C(=O)N2CC=C(c3ccc(Cl)cc3C)CC2)c([O-])c1 ZINC001170335390 1134752229 /nfs/dbraw/zinc/75/22/29/1134752229.db2.gz LLTFPYROKMPLDU-UHFFFAOYSA-N -1 1 342.826 3.987 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@@H]2C=CCCCCC2)c(=O)[n-]1 ZINC000793401347 1134925873 /nfs/dbraw/zinc/92/58/73/1134925873.db2.gz LNFLLVLDRGUFOK-CYBMUJFWSA-N -1 1 336.457 3.577 20 0 EHADMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC001192552682 1135028927 /nfs/dbraw/zinc/02/89/27/1135028927.db2.gz QVLGXZLLEXJPAA-AODNKKSCSA-N -1 1 343.373 3.983 20 0 EHADMM COc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)c2ccccc12 ZINC001192555818 1135030016 /nfs/dbraw/zinc/03/00/16/1135030016.db2.gz FPCOXKDCWSUEOL-UHFFFAOYSA-N -1 1 343.329 3.762 20 0 EHADMM CC(C)(C)CCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)F ZINC001192582590 1135034592 /nfs/dbraw/zinc/03/45/92/1135034592.db2.gz UEQSPUPLWZCNDZ-AWEZNQCLSA-N -1 1 333.444 3.609 20 0 EHADMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N(C)CC)cc2)c1 ZINC001192817714 1135059115 /nfs/dbraw/zinc/05/91/15/1135059115.db2.gz IYONUOAHWTZHBM-UHFFFAOYSA-N -1 1 348.468 3.515 20 0 EHADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000804490488 1135098173 /nfs/dbraw/zinc/09/81/73/1135098173.db2.gz RBDONVMJBOFRRK-AUUYWEPGSA-N -1 1 335.403 3.706 20 0 EHADMM C[C@H](CCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1 ZINC001129638935 1135125707 /nfs/dbraw/zinc/12/57/07/1135125707.db2.gz FRHGTJLKYAPCFO-CYBMUJFWSA-N -1 1 325.412 3.583 20 0 EHADMM O=S(=O)([N-]c1cccc(CO)c1)c1ccc2c(Cl)cccc2c1 ZINC001194243471 1135250302 /nfs/dbraw/zinc/25/03/02/1135250302.db2.gz TYKIRGBKYFQNBD-UHFFFAOYSA-N -1 1 347.823 3.786 20 0 EHADMM O=S(=O)([N-]c1ccc(CO)cc1)c1cccc2c(Cl)cccc21 ZINC001194429324 1135271886 /nfs/dbraw/zinc/27/18/86/1135271886.db2.gz WZGYTHBPCWHHJN-UHFFFAOYSA-N -1 1 347.823 3.786 20 0 EHADMM COc1ncccc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1Cl ZINC001194726136 1135313183 /nfs/dbraw/zinc/31/31/83/1135313183.db2.gz BXMRIRDUMVKLQF-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM O=S(=O)([N-]C[C@@]12C[C@@H]1CCCC2)c1cc(Cl)sc1Cl ZINC001194820295 1135325652 /nfs/dbraw/zinc/32/56/52/1135325652.db2.gz BJZBYHZSVGESNR-QPUJVOFHSA-N -1 1 340.297 3.914 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)OCCC(C)C)c1 ZINC001194871817 1135333153 /nfs/dbraw/zinc/33/31/53/1135333153.db2.gz OOACGVIJHHSCLY-UHFFFAOYSA-N -1 1 332.194 3.758 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC001195040660 1135357962 /nfs/dbraw/zinc/35/79/62/1135357962.db2.gz IUNLRLZPOXXFJL-UHFFFAOYSA-N -1 1 334.517 3.829 20 0 EHADMM Cc1nc2cc(Cl)c(NC(=O)c3cc([O-])cnc3Cl)cc2o1 ZINC001195309268 1135411058 /nfs/dbraw/zinc/41/10/58/1135411058.db2.gz PWKUQWOKGGLYLJ-UHFFFAOYSA-N -1 1 338.150 3.796 20 0 EHADMM Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cc([O-])cnc1Cl ZINC001195312376 1135411591 /nfs/dbraw/zinc/41/15/91/1135411591.db2.gz FNMIFJWQQSWGTN-UHFFFAOYSA-N -1 1 345.613 3.986 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC001195449190 1135424641 /nfs/dbraw/zinc/42/46/41/1135424641.db2.gz JRBVUODCOSCDGZ-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(CCc2ccccc2)cc1 ZINC001195484476 1135431932 /nfs/dbraw/zinc/43/19/32/1135431932.db2.gz NDUOOUUMDFWPJB-UHFFFAOYSA-N -1 1 328.437 3.915 20 0 EHADMM O=C(Nc1ccc(N2CCCCCC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000806355592 1135434545 /nfs/dbraw/zinc/43/45/45/1135434545.db2.gz UVZFFSBQZTYIIW-UHFFFAOYSA-N -1 1 338.407 3.594 20 0 EHADMM CCOC(=O)c1csc(/C=C/c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000806563698 1135460835 /nfs/dbraw/zinc/46/08/35/1135460835.db2.gz XKLBKDKYAMHMDS-SNAWJCMRSA-N -1 1 339.800 3.858 20 0 EHADMM O=c1ccn(-c2ccc(NC(=S)Nc3ccccc3F)cc2)[n-]1 ZINC001195784869 1135468946 /nfs/dbraw/zinc/46/89/46/1135468946.db2.gz VOJJAPXJXVDTQC-UHFFFAOYSA-N -1 1 328.372 3.526 20 0 EHADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(C2CCCC2)no1 ZINC001197585722 1135710883 /nfs/dbraw/zinc/71/08/83/1135710883.db2.gz KOTXMUHJGKTAJX-UHFFFAOYSA-N -1 1 329.278 3.900 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc3occc3c2)cc1F ZINC001198858744 1135861790 /nfs/dbraw/zinc/86/17/90/1135861790.db2.gz HXZWMHWZEWXCCJ-UHFFFAOYSA-N -1 1 339.319 3.520 20 0 EHADMM Cc1cc(C)c(Cl)c([N-]c2nonc2-c2cn3ccncc3n2)c1 ZINC001201596912 1136039271 /nfs/dbraw/zinc/03/92/71/1136039271.db2.gz NEMXTWGUOBAHAW-UHFFFAOYSA-N -1 1 340.774 3.793 20 0 EHADMM COc1cc(F)c(F)cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000811712528 1136123929 /nfs/dbraw/zinc/12/39/29/1136123929.db2.gz BAMGMGDVKXRHOX-FPLPWBNLSA-N -1 1 339.363 3.694 20 0 EHADMM CCC(=O)c1ccc(O)c(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000812708007 1136238936 /nfs/dbraw/zinc/23/89/36/1136238936.db2.gz QHVCJFHNXMOKAY-UHFFFAOYSA-N -1 1 342.376 3.667 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H](O)c1ccc(Cl)cc1F ZINC000813494313 1136337569 /nfs/dbraw/zinc/33/75/69/1136337569.db2.gz HLSVKHOPOMMPPA-CYBMUJFWSA-N -1 1 330.142 3.510 20 0 EHADMM CCCC[C@H](CC)CC(=O)Nc1nc(C(=O)OCC)c(Cl)[n-]1 ZINC001134100801 1136406742 /nfs/dbraw/zinc/40/67/42/1136406742.db2.gz JMPFYGGGBOPHRJ-JTQLQIEISA-N -1 1 329.828 3.785 20 0 EHADMM Cc1nc(SCC(C)C)sc1CC(=O)[N-]OC/C=C/Cl ZINC000854535041 1136625106 /nfs/dbraw/zinc/62/51/06/1136625106.db2.gz QLBIGKQTCNTFIT-SNAWJCMRSA-N -1 1 334.894 3.542 20 0 EHADMM COc1ccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c(OC)c1 ZINC001135315733 1136661076 /nfs/dbraw/zinc/66/10/76/1136661076.db2.gz IEXTURMZFACEHJ-UHFFFAOYSA-N -1 1 339.347 3.521 20 0 EHADMM COc1ccccc1[C@H](C)N(OC)C(=O)c1cc(SC)ccc1[O-] ZINC000855127713 1136670339 /nfs/dbraw/zinc/67/03/39/1136670339.db2.gz VHJXWRNZMLXVFQ-LBPRGKRZSA-N -1 1 347.436 3.888 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc(C3OCCO3)c2)c([O-])c1 ZINC000816366912 1136705780 /nfs/dbraw/zinc/70/57/80/1136705780.db2.gz WFXKLZDGJAKFJG-UHFFFAOYSA-N -1 1 327.380 3.813 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)c1ccn(C)n1 ZINC000817456185 1136808100 /nfs/dbraw/zinc/80/81/00/1136808100.db2.gz SVMUZWLGIXOQQX-QMMMGPOBSA-N -1 1 348.180 3.696 20 0 EHADMM O=C(Nc1ncccc1[O-])C(F)(F)c1cc(Cl)ccc1Cl ZINC000857486495 1136876375 /nfs/dbraw/zinc/87/63/75/1136876375.db2.gz MQPYJQITCSYKFH-UHFFFAOYSA-N -1 1 333.121 3.825 20 0 EHADMM CCCO[N-]C(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000857544286 1136881678 /nfs/dbraw/zinc/88/16/78/1136881678.db2.gz OLWFHJDQOKWGRJ-CQSZACIVSA-N -1 1 332.366 3.546 20 0 EHADMM C[C@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCc2ccccc21 ZINC001136191058 1136916814 /nfs/dbraw/zinc/91/68/14/1136916814.db2.gz XVRXRJHWYNBACR-FQEVSTJZSA-N -1 1 333.391 3.625 20 0 EHADMM Cc1ccc(CCC2CCN(c3cc(Cl)[n-]c(=O)n3)CC2)cc1 ZINC000858331691 1136959210 /nfs/dbraw/zinc/95/92/10/1136959210.db2.gz AJXVPJJZYXQFDF-UHFFFAOYSA-N -1 1 331.847 3.993 20 0 EHADMM COc1cccc(S([O-])=CC(=O)Oc2ccc(C(C)C)cc2)c1 ZINC000819942897 1136968574 /nfs/dbraw/zinc/96/85/74/1136968574.db2.gz GLGDCPVWFJLGLM-QHCPKHFHSA-N -1 1 332.421 3.532 20 0 EHADMM CC(C)(C)c1cc(C(=O)[N-]c2nc(-c3ccccc3)ns2)no1 ZINC000266014302 1136983981 /nfs/dbraw/zinc/98/39/81/1136983981.db2.gz IVEOBZSVWLIDRL-UHFFFAOYSA-N -1 1 328.397 3.743 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)c1 ZINC000821111759 1137017302 /nfs/dbraw/zinc/01/73/02/1137017302.db2.gz UTBIDLLDQHHULK-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cccc([O-])c1F ZINC001136843514 1137130497 /nfs/dbraw/zinc/13/04/97/1137130497.db2.gz TVSDUYBGLIHJNW-UHFFFAOYSA-N -1 1 345.370 3.589 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC(c2ccc(F)cn2)CC1 ZINC000824766387 1137150839 /nfs/dbraw/zinc/15/08/39/1137150839.db2.gz HXYXCTLESMKCPR-UHFFFAOYSA-N -1 1 334.778 3.600 20 0 EHADMM CC(C)Cc1nsc([N-]C(=O)c2cc(C=O)sc2Cl)n1 ZINC000825237302 1137170180 /nfs/dbraw/zinc/17/01/80/1137170180.db2.gz JOFUKOGLNIZRRY-UHFFFAOYSA-N -1 1 329.834 3.516 20 0 EHADMM Cc1ncc([C@H](C)[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)s1 ZINC000825250677 1137170647 /nfs/dbraw/zinc/17/06/47/1137170647.db2.gz ODCVCHBMGJFZIA-ZETCQYMHSA-N -1 1 332.322 3.699 20 0 EHADMM O=C([N-]c1cc(F)c(F)cc1F)c1nc(Br)cs1 ZINC000119359036 1137175638 /nfs/dbraw/zinc/17/56/38/1137175638.db2.gz WGHGNAQKFXRQMF-UHFFFAOYSA-N -1 1 337.120 3.575 20 0 EHADMM Cc1ccc2sc(CSCCC[N-]C(=O)C(F)(F)F)nc2c1 ZINC000863403466 1137185275 /nfs/dbraw/zinc/18/52/75/1137185275.db2.gz IROOWTSVVZQCRP-UHFFFAOYSA-N -1 1 348.415 3.907 20 0 EHADMM CC1(OCC(=O)Nc2c([O-])cc(Br)cc2Cl)CCC1 ZINC000843886400 1137186619 /nfs/dbraw/zinc/18/66/19/1137186619.db2.gz QDRNZLVUXNZRRY-UHFFFAOYSA-N -1 1 348.624 3.706 20 0 EHADMM O=C([O-])CCc1cccc(CNCc2cc(Cl)cc3c2OCC3)c1 ZINC000864518303 1137231633 /nfs/dbraw/zinc/23/16/33/1137231633.db2.gz GSVVSLIJRPNJSQ-UHFFFAOYSA-N -1 1 345.826 3.582 20 0 EHADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1nc2c(s1)CCCC2 ZINC000864527281 1137232557 /nfs/dbraw/zinc/23/25/57/1137232557.db2.gz CPFCMZFESFIYRK-MRXNPFEDSA-N -1 1 344.480 3.890 20 0 EHADMM O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1ccccc1[O-] ZINC001144162735 1137246967 /nfs/dbraw/zinc/24/69/67/1137246967.db2.gz WCANJVZHINIALY-UHFFFAOYSA-N -1 1 329.306 3.768 20 0 EHADMM CCc1nc(SCc2ncccc2Br)[n-]c(=O)c1C ZINC000865371388 1137278207 /nfs/dbraw/zinc/27/82/07/1137278207.db2.gz XUWSGMZYHUIFFK-UHFFFAOYSA-N -1 1 340.246 3.503 20 0 EHADMM Cc1nc(SCC(=O)NC2CCCCCCC2)[n-]c(=O)c1C1CC1 ZINC000865373504 1137278228 /nfs/dbraw/zinc/27/82/28/1137278228.db2.gz XHURSKZOZDIAHL-UHFFFAOYSA-N -1 1 349.500 3.689 20 0 EHADMM CC(C)c1noc([C@@H]2CCCN(Cc3c(F)cc([O-])cc3F)C2)n1 ZINC001144558787 1137309646 /nfs/dbraw/zinc/30/96/46/1137309646.db2.gz DNONOFWJCUSYKF-LLVKDONJSA-N -1 1 337.370 3.556 20 0 EHADMM COC(=O)c1ccc([C@@H]2CCCN2Cc2cc(F)c([O-])cc2F)cc1 ZINC001144663777 1137324579 /nfs/dbraw/zinc/32/45/79/1137324579.db2.gz ISISKMGWOWSOHO-KRWDZBQOSA-N -1 1 347.361 3.794 20 0 EHADMM O=C([N-][C@@H]1CC=CC[C@H]1C(F)(F)F)C(F)(F)c1ccccc1F ZINC000866165457 1137332764 /nfs/dbraw/zinc/33/27/64/1137332764.db2.gz OJCYQJYWRSLXPY-ZYHUDNBSSA-N -1 1 337.263 3.931 20 0 EHADMM CCC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000867918869 1137389671 /nfs/dbraw/zinc/38/96/71/1137389671.db2.gz RZYRIKNSEVVIOJ-LPHOPBHVSA-N -1 1 347.842 3.607 20 0 EHADMM O=C(Nc1ccc2c(c1)CCOC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC001147571880 1137409351 /nfs/dbraw/zinc/40/93/51/1137409351.db2.gz NOUULUIJDRUPIJ-UHFFFAOYSA-N -1 1 337.297 3.736 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)cc2)[n-]1 ZINC001148337028 1137422635 /nfs/dbraw/zinc/42/26/35/1137422635.db2.gz VLGILTKSILCCET-BBRMVZONSA-N -1 1 341.455 3.744 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NC2CCCCCC2)c1 ZINC000017298022 1137431307 /nfs/dbraw/zinc/43/13/07/1137431307.db2.gz ADXDJJLDWYUQTD-UHFFFAOYSA-N -1 1 344.484 3.755 20 0 EHADMM Cn1cc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])c2n1 ZINC001148800331 1137435385 /nfs/dbraw/zinc/43/53/85/1137435385.db2.gz DNRLLYQPVDXIKV-UHFFFAOYSA-N -1 1 335.285 3.550 20 0 EHADMM C[C@]1(F)CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])C[C@H]1F ZINC001148866660 1137436805 /nfs/dbraw/zinc/43/68/05/1137436805.db2.gz DEWGYVUMXZMCMW-APWZRJJASA-N -1 1 331.362 3.971 20 0 EHADMM O=C(NCc1cc2ccncc2[nH]1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872976 1137437013 /nfs/dbraw/zinc/43/70/13/1137437013.db2.gz OGURTQJQMUJHMY-UHFFFAOYSA-N -1 1 343.386 3.866 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC001171632952 1137499995 /nfs/dbraw/zinc/49/99/95/1137499995.db2.gz YMUIZWIWURGSOI-QGZVFWFLSA-N -1 1 346.377 3.664 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@H](OC2CCC2)CC1 ZINC000871324849 1137536314 /nfs/dbraw/zinc/53/63/14/1137536314.db2.gz TVBWSSMHRUORCF-INIZCTEOSA-N -1 1 340.423 3.504 20 0 EHADMM C[C@]1(CCNC(=O)NCc2ccc([O-])c(Cl)c2)C[C@]1(F)Cl ZINC000873055514 1137589076 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QDTJETDODDNVKN-UHFFFAOYSA-N -1 1 337.847 3.962 20 0 EHADMM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCCO1 ZINC000578910359 974865248 /nfs/dbraw/zinc/86/52/48/974865248.db2.gz NSXFIGRSGYFQQR-HIFRSBDPSA-N -1 1 346.254 3.866 20 0 EHADMM Cc1cc(-c2noc([C@@H]3NCC[C@@H]4CCCC[C@H]34)n2)ccc1C(=O)[O-] ZINC000904512041 1032088086 /nfs/dbraw/zinc/08/80/86/1032088086.db2.gz XFDDZZHWDIQDAY-VBNZEHGJSA-N -1 1 341.411 3.584 20 0 EHADMM C[C@H](CC1CCCCC1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001592465806 978209576 /nfs/dbraw/zinc/20/95/76/978209576.db2.gz NHDVUSZKTMJIAY-LLVKDONJSA-N -1 1 329.400 3.806 20 0 EHADMM C[C@H](CN(Cc1cccc(Cl)c1Br)C1CC1)C(=O)[O-] ZINC001592598827 978532887 /nfs/dbraw/zinc/53/28/87/978532887.db2.gz KQCPBEVJNQNTKV-SECBINFHSA-N -1 1 346.652 3.788 20 0 EHADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Cl)c(C)c1OC ZINC000864514604 979941371 /nfs/dbraw/zinc/94/13/71/979941371.db2.gz SESPETHQSSGKOW-INIZCTEOSA-N -1 1 349.814 3.581 20 0 EHADMM CC[C@H](N[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccc2c(c1)OCCO2 ZINC001595278694 980312240 /nfs/dbraw/zinc/31/22/40/980312240.db2.gz HQFCQSAWNHAUSF-JSGCOSHPSA-N -1 1 345.395 3.859 20 0 EHADMM O=C([O-])C[C@H]1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CCO1 ZINC000901500749 980319509 /nfs/dbraw/zinc/31/95/09/980319509.db2.gz DZBBTDGYKDDQAK-SFHVURJKSA-N -1 1 345.826 3.683 20 0 EHADMM CC[C@](NCc1cccc(OC(C)(C)C)n1)(C(=O)[O-])c1ccccc1 ZINC001595299688 980429982 /nfs/dbraw/zinc/42/99/82/980429982.db2.gz CBXGKPCMUGHESU-HXUWFJFHSA-N -1 1 342.439 3.739 20 0 EHADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000901790637 980522905 /nfs/dbraw/zinc/52/29/05/980522905.db2.gz YQBVMPGFEZTUCR-CQSZACIVSA-N -1 1 348.390 3.640 20 0 EHADMM CO[C@@H]1CCN(Cc2ccc(-c3ccc(C)cc3)s2)[C@H](C(=O)[O-])C1 ZINC000902032340 980704223 /nfs/dbraw/zinc/70/42/23/980704223.db2.gz LQZWXAKRKBHGJX-WBVHZDCISA-N -1 1 345.464 3.788 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccnc(OC2CCCCC2)c1 ZINC000902204806 980782819 /nfs/dbraw/zinc/78/28/19/980782819.db2.gz YBZXVUIQZFSXDP-UHFFFAOYSA-N -1 1 344.411 3.683 20 0 EHADMM CC[C@@H](c1ccccc1)N(CC)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595364683 980796864 /nfs/dbraw/zinc/79/68/64/980796864.db2.gz VTPVRCPNWLZRBT-SFHVURJKSA-N -1 1 340.423 3.797 20 0 EHADMM CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCS1 ZINC000902282350 980816217 /nfs/dbraw/zinc/81/62/17/980816217.db2.gz QIKMOJQALRVWPR-INIZCTEOSA-N -1 1 331.437 3.972 20 0 EHADMM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ccc(F)cc2[O-])c(C)n1 ZINC000654966039 1014688707 /nfs/dbraw/zinc/68/87/07/1014688707.db2.gz CYZIFGZEEZYSOB-SNVBAGLBSA-N -1 1 331.391 3.633 20 0 EHADMM CC(C)CO[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902403454 980872248 /nfs/dbraw/zinc/87/22/48/980872248.db2.gz DKGDWFQIPKIROS-AWEZNQCLSA-N -1 1 345.361 3.651 20 0 EHADMM CCCC[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(OC)cc1 ZINC001595638312 981943166 /nfs/dbraw/zinc/94/31/66/981943166.db2.gz OADIWJMGJVGKLM-SFHVURJKSA-N -1 1 328.412 3.810 20 0 EHADMM CSCc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000610194014 1014830982 /nfs/dbraw/zinc/83/09/82/1014830982.db2.gz FKHPNEXBKJTZJZ-UHFFFAOYSA-N -1 1 347.383 3.768 20 0 EHADMM CC[C@@H](C)N(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC001594967796 982730112 /nfs/dbraw/zinc/73/01/12/982730112.db2.gz BRESSYPPWGUDRK-CYBMUJFWSA-N -1 1 346.452 3.686 20 0 EHADMM CCCc1nc(C)c(CN[C@@](C)(CC(=O)[O-])c2cccc(F)c2)o1 ZINC001596083355 983404914 /nfs/dbraw/zinc/40/49/14/983404914.db2.gz NKDPEXSHWHTPQH-SFHVURJKSA-N -1 1 334.391 3.554 20 0 EHADMM COc1cccc(COCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000579823289 1015033225 /nfs/dbraw/zinc/03/32/25/1015033225.db2.gz PDDHSSCJDNUUDI-UHFFFAOYSA-N -1 1 346.770 3.821 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@H](CC(C)C)C2)c(C)c1C(=O)[O-] ZINC001599946026 985528786 /nfs/dbraw/zinc/52/87/86/985528786.db2.gz RQKWRBZZFKSPJI-LSDHHAIUSA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1C(=O)[O-] ZINC001599964561 985875232 /nfs/dbraw/zinc/87/52/32/985875232.db2.gz NHBZJXQLGOGBHI-UHFFFAOYSA-N -1 1 338.329 3.819 20 0 EHADMM CCOc1cccc2cc([C@@H](C)NCc3ccc(C(=O)[O-])n3C)oc21 ZINC001597165393 986984625 /nfs/dbraw/zinc/98/46/25/986984625.db2.gz RWDHHSIYMUDPJC-GFCCVEGCSA-N -1 1 342.395 3.719 20 0 EHADMM CC(C)(C)C[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)[O-] ZINC001589762115 988097146 /nfs/dbraw/zinc/09/71/46/988097146.db2.gz YAINDZPVVMUFIK-GFCCVEGCSA-N -1 1 325.478 3.909 20 0 EHADMM CC(C)(C)C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)[O-] ZINC001589762115 988097159 /nfs/dbraw/zinc/09/71/59/988097159.db2.gz YAINDZPVVMUFIK-GFCCVEGCSA-N -1 1 325.478 3.909 20 0 EHADMM CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C(=O)[O-])n2C)o1 ZINC001597518258 988136848 /nfs/dbraw/zinc/13/68/48/988136848.db2.gz RXXUDEKHVWEZCG-DYVFJYSZSA-N -1 1 330.428 3.852 20 0 EHADMM CCc1ccc([C@H](C)N[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597563435 988314712 /nfs/dbraw/zinc/31/47/12/988314712.db2.gz KJTGDVRHYSGEGN-GXTWGEPZSA-N -1 1 342.439 3.814 20 0 EHADMM CC(C)(NCCc1cc(Cl)ccc1Cl)c1nocc1C(=O)[O-] ZINC001590870524 990773118 /nfs/dbraw/zinc/77/31/18/990773118.db2.gz OZIDHZLRHNWQJG-UHFFFAOYSA-N -1 1 343.210 3.747 20 0 EHADMM COc1cccc2c1CN([C@@H](C(=O)[O-])c1ccccc1Cl)CC2 ZINC001599691446 991075426 /nfs/dbraw/zinc/07/54/26/991075426.db2.gz FMIBJXBVPHJXPW-QGZVFWFLSA-N -1 1 331.799 3.533 20 0 EHADMM Cn1c2ccccc2nc1-c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000339815056 1015698695 /nfs/dbraw/zinc/69/86/95/1015698695.db2.gz PQOUAPNYYJJLFN-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM CN(CCOc1cccc(Cl)c1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001598499197 992407378 /nfs/dbraw/zinc/40/73/78/992407378.db2.gz DJCWTKQJOKGFHW-BQYQJAHWSA-N -1 1 335.787 3.542 20 0 EHADMM CN(C)c1cccc(CN(C)Cc2cccc(C(=O)[O-])c2Cl)c1 ZINC001598526631 992727844 /nfs/dbraw/zinc/72/78/44/992727844.db2.gz MPFLJIAXABNTBD-UHFFFAOYSA-N -1 1 332.831 3.736 20 0 EHADMM CN(Cc1cccc(C(=O)[O-])c1Cl)[C@H](CCO)c1ccccc1 ZINC001598526709 992728293 /nfs/dbraw/zinc/72/82/93/992728293.db2.gz BIGWPCRULWDCAB-MRXNPFEDSA-N -1 1 333.815 3.594 20 0 EHADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)c(OC[C@@H]2CCCO2)c1 ZINC000154822374 1015819103 /nfs/dbraw/zinc/81/91/03/1015819103.db2.gz DQXSQZZRSVOLOO-AWEZNQCLSA-N -1 1 345.370 3.650 20 0 EHADMM C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1ccc(C(=O)[O-])o1 ZINC001593194885 994142771 /nfs/dbraw/zinc/14/27/71/994142771.db2.gz ARDCYQPFLIANHC-UWVGGRQHSA-N -1 1 325.311 3.991 20 0 EHADMM C[C@@H](NC1(Cc2cccc(Cl)c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593209815 994239921 /nfs/dbraw/zinc/23/99/21/994239921.db2.gz LEWSREVJJXUFRN-SNVBAGLBSA-N -1 1 336.844 3.921 20 0 EHADMM C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1ncc(C(=O)[O-])s1 ZINC001593219168 994296709 /nfs/dbraw/zinc/29/67/09/994296709.db2.gz KPVQUSKZXQGGSA-WCFLWFBJSA-N -1 1 338.473 3.618 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc2c(c1)CCCO2 ZINC001593296245 994695042 /nfs/dbraw/zinc/69/50/42/994695042.db2.gz KMJRECGDGPJSEE-GFCCVEGCSA-N -1 1 329.371 3.700 20 0 EHADMM C[C@H](NCc1ccccc1OC1CCC1)c1cncc(C(=O)[O-])c1 ZINC001593305639 994766686 /nfs/dbraw/zinc/76/66/86/994766686.db2.gz ZDXYVPNVBFRXDS-ZDUSSCGKSA-N -1 1 326.396 3.562 20 0 EHADMM C[C@H](NCc1cnc(C(=O)[O-])cn1)c1ccc(Cl)c2ccccc21 ZINC001593311425 994782728 /nfs/dbraw/zinc/78/27/28/994782728.db2.gz PRHGALXKOIPDFO-NSHDSACASA-N -1 1 341.798 3.832 20 0 EHADMM COc1cccc(CN[C@H](C)c2ccc(C(=O)[O-])cc2C)c1OC ZINC001599674638 994876664 /nfs/dbraw/zinc/87/66/64/994876664.db2.gz URJQWMIRYHJDQD-CYBMUJFWSA-N -1 1 329.396 3.561 20 0 EHADMM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cncc([O-])c1 ZINC000339916722 1015915460 /nfs/dbraw/zinc/91/54/60/1015915460.db2.gz WBUACXSIYYWCMY-VIFPVBQESA-N -1 1 337.206 3.854 20 0 EHADMM Cc1cc(O)cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000705587767 1015961353 /nfs/dbraw/zinc/96/13/53/1015961353.db2.gz VEMZQCPFBJMGSB-UHFFFAOYSA-N -1 1 332.208 3.808 20 0 EHADMM C[C@@H](Oc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1)C(=O)[O-] ZINC001593616330 995846530 /nfs/dbraw/zinc/84/65/30/995846530.db2.gz XHFFOECXCDMEFA-GFCCVEGCSA-N -1 1 345.361 3.703 20 0 EHADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001593732802 996316420 /nfs/dbraw/zinc/31/64/20/996316420.db2.gz ZPHCGESVIVCYMD-WCQYABFASA-N -1 1 334.416 3.606 20 0 EHADMM C[C@@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001593815876 996552090 /nfs/dbraw/zinc/55/20/90/996552090.db2.gz FZMGMZGBVPFVBY-DGCLKSJQSA-N -1 1 339.716 3.879 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN(Cc1ccccc1F)CC1CC1 ZINC001599498522 997063452 /nfs/dbraw/zinc/06/34/52/997063452.db2.gz CUNXMNXNZHUZEJ-UHFFFAOYSA-N -1 1 343.398 3.945 20 0 EHADMM C[C@@H](NC(=O)c1cncc([O-])c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000340002217 1016113593 /nfs/dbraw/zinc/11/35/93/1016113593.db2.gz DUOCKCQYAQFRLX-GHMZBOCLSA-N -1 1 338.329 3.728 20 0 EHADMM C[C@@H]1CC[C@@](NCc2cc(F)ccc2F)(C(=O)[O-])c2ccccc21 ZINC001594320349 999230614 /nfs/dbraw/zinc/23/06/14/999230614.db2.gz KJMSFNGFWPJLQT-BLVKFPJESA-N -1 1 331.362 3.932 20 0 EHADMM C[C@@H]1CC[C@](NCc2cc(F)ccc2F)(C(=O)[O-])c2ccccc21 ZINC001594320353 999230769 /nfs/dbraw/zinc/23/07/69/999230769.db2.gz KJMSFNGFWPJLQT-CWTRNNRKSA-N -1 1 331.362 3.932 20 0 EHADMM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000084461098 1016502180 /nfs/dbraw/zinc/50/21/80/1016502180.db2.gz PVMNUUPDLIQTOQ-UHFFFAOYSA-N -1 1 337.416 3.942 20 0 EHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(OC(F)F)c1 ZINC000181138105 1016909185 /nfs/dbraw/zinc/90/91/85/1016909185.db2.gz ZNINSZBOFNLJTM-VIFPVBQESA-N -1 1 325.286 3.624 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)CC[C@@H]2CC[C@H](C)O2)c1 ZINC000182931559 1032152540 /nfs/dbraw/zinc/15/25/40/1032152540.db2.gz JSIVOJVSQMUSJE-QWRGUYRKSA-N -1 1 342.233 3.749 20 0 EHADMM O=C([O-])CCN(Cc1ccccc1)Cc1ncccc1C(F)(F)F ZINC000659789659 1017018627 /nfs/dbraw/zinc/01/86/27/1017018627.db2.gz HEONWTVSTQTBCW-UHFFFAOYSA-N -1 1 338.329 3.577 20 0 EHADMM COc1ccc(OC)c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000182004727 1017043408 /nfs/dbraw/zinc/04/34/08/1017043408.db2.gz 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1032329816 /nfs/dbraw/zinc/32/98/16/1032329816.db2.gz WKDBBPLZLBWITH-CLFYSBASSA-N -1 1 330.384 3.549 20 0 EHADMM CCCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1OC ZINC000905076924 1032345910 /nfs/dbraw/zinc/34/59/10/1032345910.db2.gz NXTLYMSKBFHIPQ-CLFYSBASSA-N -1 1 330.384 3.549 20 0 EHADMM Cc1cc(F)ccc1-c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000685293641 1032360454 /nfs/dbraw/zinc/36/04/54/1032360454.db2.gz XXANJEHXUQLIMT-UHFFFAOYSA-N -1 1 348.337 3.805 20 0 EHADMM Cc1nc(-c2ccc(CNC(=O)c3c([O-])cccc3F)s2)cs1 ZINC000547853001 1017090285 /nfs/dbraw/zinc/09/02/85/1017090285.db2.gz LFGZABDCVSBUFT-UHFFFAOYSA-N -1 1 348.424 3.955 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3c[nH]c4ccc(F)cc34)n2)c(F)c1 ZINC000683592145 1017558700 /nfs/dbraw/zinc/55/87/00/1017558700.db2.gz NZNNFNJQGKWQBJ-UHFFFAOYSA-N -1 1 327.290 3.793 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3c[nH]c4ccc(F)cc34)n2)cc1F ZINC000683594508 1017576190 /nfs/dbraw/zinc/57/61/90/1017576190.db2.gz YAHGNPUYJYORAY-UHFFFAOYSA-N -1 1 327.290 3.793 20 0 EHADMM 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CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000440027138 1021908362 /nfs/dbraw/zinc/90/83/62/1021908362.db2.gz JTTKKYMMFHLFRM-IBGZPJMESA-N -1 1 347.842 3.849 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000188304690 1021997068 /nfs/dbraw/zinc/99/70/68/1021997068.db2.gz HBKQVQXCOJTEBI-UHFFFAOYSA-N -1 1 325.480 3.931 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)sc1Cl ZINC000473943406 1022372862 /nfs/dbraw/zinc/37/28/62/1022372862.db2.gz HKGWXMJREMLCFG-UHFFFAOYSA-N -1 1 329.821 3.566 20 0 EHADMM Cc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1F ZINC000629125147 1022517207 /nfs/dbraw/zinc/51/72/07/1022517207.db2.gz QISDSPQXKUEZNS-UHFFFAOYSA-N -1 1 334.416 3.804 20 0 EHADMM CCCOc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(C)c1 ZINC000843772499 1022588324 /nfs/dbraw/zinc/58/83/24/1022588324.db2.gz SXPNJEKAQFMJCU-UHFFFAOYSA-N -1 1 343.427 3.964 20 0 EHADMM Cc1ccsc1CN(C)C(=O)c1ccc(Br)cc1[O-] ZINC000049446641 1022593927 /nfs/dbraw/zinc/59/39/27/1022593927.db2.gz PJSDIVDQZWXMAX-UHFFFAOYSA-N -1 1 340.242 3.797 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(-c2ccccc2F)n1 ZINC000111667994 1022698292 /nfs/dbraw/zinc/69/82/92/1022698292.db2.gz MYPXEHROHVBBGB-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM Cc1ccc(C)c(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000331200106 1022767630 /nfs/dbraw/zinc/76/76/30/1022767630.db2.gz WIAQJPMIXYLSEJ-UHFFFAOYSA-N -1 1 341.455 3.677 20 0 EHADMM Cc1ccc(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c(F)c1 ZINC000039549016 1033086071 /nfs/dbraw/zinc/08/60/71/1033086071.db2.gz GSWSVJZHXJLPQB-UHFFFAOYSA-N -1 1 348.428 3.755 20 0 EHADMM CC1(C)Cc2cccc(CN[C@H](CC(=O)[O-])c3ccsc3)c2O1 ZINC000426671354 1022890194 /nfs/dbraw/zinc/89/01/94/1022890194.db2.gz LTQZKDNDHFCKEM-OAHLLOKOSA-N -1 1 331.437 3.767 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000438718933 1022937689 /nfs/dbraw/zinc/93/76/89/1022937689.db2.gz BJNPHQPHTXFFOO-UHFFFAOYSA-N -1 1 325.455 3.702 20 0 EHADMM CCc1ccc(-c2ccc(CN[C@@H](CCSC)C(=O)[O-])o2)cc1 ZINC000426676568 1022964889 /nfs/dbraw/zinc/96/48/89/1022964889.db2.gz DODUPLCOHAEUCI-INIZCTEOSA-N -1 1 333.453 3.805 20 0 EHADMM O=C([O-])C[C@H](NCc1cnc(-c2ccccn2)s1)c1ccsc1 ZINC000426695535 1022969161 /nfs/dbraw/zinc/96/91/61/1022969161.db2.gz JYSLOIBLKRZIGX-AWEZNQCLSA-N -1 1 345.449 3.572 20 0 EHADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000438800915 1023004742 /nfs/dbraw/zinc/00/47/42/1023004742.db2.gz OUNJYVDNJSORSZ-UHFFFAOYSA-N -1 1 343.448 3.815 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(C)c1O ZINC000438794042 1023007937 /nfs/dbraw/zinc/00/79/37/1023007937.db2.gz MGGAZSHRSBPFGV-UHFFFAOYSA-N -1 1 347.436 3.649 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC000438792073 1023008724 /nfs/dbraw/zinc/00/87/24/1023008724.db2.gz OKNHOWVMVSSLEQ-UHFFFAOYSA-N -1 1 331.437 3.889 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(C)c1 ZINC000438813535 1023012685 /nfs/dbraw/zinc/01/26/85/1023012685.db2.gz UGFUUDWJZYUZJE-UHFFFAOYSA-N -1 1 331.437 3.943 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc(C)c1F ZINC000438815490 1023014279 /nfs/dbraw/zinc/01/42/79/1023014279.db2.gz SEUIURGRQHPHHK-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM COc1ccc([C@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])cc1F ZINC000426775826 1023036812 /nfs/dbraw/zinc/03/68/12/1023036812.db2.gz CVFWXZOAIQMNDM-HNNXBMFYSA-N -1 1 341.741 3.542 20 0 EHADMM COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000189502477 1023040007 /nfs/dbraw/zinc/04/00/07/1023040007.db2.gz KAARSQNRWOTQGR-IBGZPJMESA-N -1 1 349.430 3.875 20 0 EHADMM Cc1cc(F)c(Br)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000189639013 1023061917 /nfs/dbraw/zinc/06/19/17/1023061917.db2.gz QTXAUIGDTQIFJJ-UHFFFAOYSA-N -1 1 340.148 3.560 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc2ncccc2c1 ZINC000353659784 1023134726 /nfs/dbraw/zinc/13/47/26/1023134726.db2.gz QVUJADARQTWWFM-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM O=S(=O)([N-][C@H](C1CCCC1)C(F)(F)F)c1ccccc1Cl ZINC000510799527 1023178872 /nfs/dbraw/zinc/17/88/72/1023178872.db2.gz SRRJOVOWHZZYEE-GFCCVEGCSA-N -1 1 341.782 3.739 20 0 EHADMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000190384438 1023183230 /nfs/dbraw/zinc/18/32/30/1023183230.db2.gz JIEGCKYHWDPDLG-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000091991418 1023201159 /nfs/dbraw/zinc/20/11/59/1023201159.db2.gz BWIRZSMQSWMANM-VIFPVBQESA-N -1 1 348.321 3.888 20 0 EHADMM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000439055762 1023245049 /nfs/dbraw/zinc/24/50/49/1023245049.db2.gz IKXWGLIKOLHHLE-CXAGYDPISA-N -1 1 345.826 3.943 20 0 EHADMM CCOCc1nc(Cl)cc(NCc2ccc([O-])c(Cl)c2)n1 ZINC000895074689 1023293469 /nfs/dbraw/zinc/29/34/69/1023293469.db2.gz MYGMCIXXSGJURV-UHFFFAOYSA-N -1 1 328.199 3.638 20 0 EHADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(F)cc1Cl ZINC000431153590 1023345934 /nfs/dbraw/zinc/34/59/34/1023345934.db2.gz ZGQSTUKDTXUMKV-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000933921692 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CCCc1nc(C)c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)s1 ZINC000342272627 1024679248 /nfs/dbraw/zinc/67/92/48/1024679248.db2.gz NQOIMWINBVPDMZ-UHFFFAOYSA-N -1 1 332.454 3.530 20 0 EHADMM Cc1cnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)[n-]c1=O ZINC000514734516 1024706854 /nfs/dbraw/zinc/70/68/54/1024706854.db2.gz FLWFMNVJPCNLPC-SNVBAGLBSA-N -1 1 337.832 3.572 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3C)[nH]c2c1 ZINC000427655202 1024710065 /nfs/dbraw/zinc/71/00/65/1024710065.db2.gz GBGBHGZQSZHXCT-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM Cc1nc2c(F)cccc2cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001141834067 1024742428 /nfs/dbraw/zinc/74/24/28/1024742428.db2.gz RMRKKPNHXUYBFF-UHFFFAOYSA-N -1 1 332.281 3.918 20 0 EHADMM Cc1cnc(C(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c([O-])c1 ZINC000427838670 1024837658 /nfs/dbraw/zinc/83/76/58/1024837658.db2.gz JLTRSNMHDXUCEC-QGZVFWFLSA-N -1 1 338.451 3.924 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H](c3ccccn3)C3CC3)nc2)[n-]c(=O)c1C ZINC000895792992 1024840767 /nfs/dbraw/zinc/84/07/67/1024840767.db2.gz HPPOBKLHQBVWIF-GOSISDBHSA-N -1 1 347.422 3.819 20 0 EHADMM O=S(=O)([N-]Cc1ccccc1)c1c(Cl)cc(F)cc1Cl ZINC000435421084 1024911197 /nfs/dbraw/zinc/91/11/97/1024911197.db2.gz HJQFGSRSUCHOBJ-UHFFFAOYSA-N -1 1 334.199 3.611 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2C[C@H](C)Oc3ccc(C)cc32)c1 ZINC000611910894 1033245409 /nfs/dbraw/zinc/24/54/09/1033245409.db2.gz MOZBFNKMIJVYDM-LBPRGKRZSA-N -1 1 329.421 3.850 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474418493 1024923046 /nfs/dbraw/zinc/92/30/46/1024923046.db2.gz VSZRRVLOCJPJIJ-UHFFFAOYSA-N -1 1 337.420 3.706 20 0 EHADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000428043514 1024956342 /nfs/dbraw/zinc/95/63/42/1024956342.db2.gz HDRFVCCHKQSJQX-SDNWHVSQSA-N -1 1 347.418 3.819 20 0 EHADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000428043514 1024956354 /nfs/dbraw/zinc/95/63/54/1024956354.db2.gz HDRFVCCHKQSJQX-SDNWHVSQSA-N -1 1 347.418 3.819 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)sc2C)cc1C ZINC000435719813 1025104544 /nfs/dbraw/zinc/10/45/44/1025104544.db2.gz QSVIUEHVKHWWSZ-UHFFFAOYSA-N -1 1 325.455 3.791 20 0 EHADMM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000277466469 1025213489 /nfs/dbraw/zinc/21/34/89/1025213489.db2.gz VUTNJWBZOIATOV-KRWDZBQOSA-N -1 1 335.350 3.669 20 0 EHADMM CCC[C@@H](C)NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000027461895 1025220949 /nfs/dbraw/zinc/22/09/49/1025220949.db2.gz YJAPJXMKXQCGFC-CYBMUJFWSA-N -1 1 332.473 3.611 20 0 EHADMM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cncc([O-])c1 ZINC000346831132 1025221555 /nfs/dbraw/zinc/22/15/55/1025221555.db2.gz RAVJDHXUXAWAEU-UHFFFAOYSA-N -1 1 332.359 3.641 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000435929056 1025224712 /nfs/dbraw/zinc/22/47/12/1025224712.db2.gz HYIHYUPHYXUSDA-DYEKYZERSA-N -1 1 333.476 3.590 20 0 EHADMM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2sccc2Cl)o1 ZINC000451260878 1025718501 /nfs/dbraw/zinc/71/85/01/1025718501.db2.gz VDFCROOTZOVSGX-VIFPVBQESA-N -1 1 333.862 3.603 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)CCSc2ccc(C)cc2)c1 ZINC000436512641 1025807368 /nfs/dbraw/zinc/80/73/68/1025807368.db2.gz YSANWMPFXNRSKG-UHFFFAOYSA-N -1 1 345.420 3.608 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc(OC(F)F)c(F)c3)n2)cc1F ZINC000436520524 1025820455 /nfs/dbraw/zinc/82/04/55/1025820455.db2.gz HAJOUQMMENLKIH-UHFFFAOYSA-N -1 1 340.232 3.989 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC(Cc2cccc(F)c2)CC1 ZINC000436549349 1025854241 /nfs/dbraw/zinc/85/42/41/1025854241.db2.gz PDMKVCTVIRKZHW-UHFFFAOYSA-N -1 1 331.362 3.765 20 0 EHADMM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000436537913 1025866662 /nfs/dbraw/zinc/86/66/62/1025866662.db2.gz PSUGJLZYRYLSNF-LBPRGKRZSA-N -1 1 341.386 3.953 20 0 EHADMM O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cc(F)ccc1[O-] ZINC000436540116 1025871023 /nfs/dbraw/zinc/87/10/23/1025871023.db2.gz NOMACVLSRPCWEQ-MRXNPFEDSA-N -1 1 341.342 3.511 20 0 EHADMM O=C(N[C@H](c1nccs1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000436562106 1025890494 /nfs/dbraw/zinc/89/04/94/1025890494.db2.gz JPNWBFVJWIBYEB-SECBINFHSA-N -1 1 336.722 3.536 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC(OCCCc2ccccc2)C1 ZINC000436569123 1025900766 /nfs/dbraw/zinc/90/07/66/1025900766.db2.gz ACBNMXIWYKJLBI-UHFFFAOYSA-N -1 1 345.826 3.519 20 0 EHADMM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000436597108 1025915470 /nfs/dbraw/zinc/91/54/70/1025915470.db2.gz PAQYZOFJWFRRRB-MRXNPFEDSA-N -1 1 349.434 3.610 20 0 EHADMM C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436611028 1025944313 /nfs/dbraw/zinc/94/43/13/1025944313.db2.gz UJTIGJWXQCTRAH-LBPRGKRZSA-N -1 1 339.416 3.998 20 0 EHADMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451415639 1025948138 /nfs/dbraw/zinc/94/81/38/1025948138.db2.gz WHXMNCCRPVDDHL-VIFPVBQESA-N -1 1 335.322 3.598 20 0 EHADMM O=c1[nH]c(-c2ccc([O-])c(F)c2)nc2cc(Cl)c(Cl)cc12 ZINC000436671508 1026010611 /nfs/dbraw/zinc/01/06/11/1026010611.db2.gz KDNLVEOEFRPMHD-UHFFFAOYSA-N -1 1 325.126 3.742 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(OCC)c2)c(C)c1 ZINC000443413068 1026013608 /nfs/dbraw/zinc/01/36/08/1026013608.db2.gz KRGHNDYGURIGTC-UHFFFAOYSA-N -1 1 349.452 3.983 20 0 EHADMM O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436674896 1026018441 /nfs/dbraw/zinc/01/84/41/1026018441.db2.gz UGHXBDWGBUBLGE-UHFFFAOYSA-N -1 1 325.364 3.535 20 0 EHADMM COc1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)c([O-])c1 ZINC000436682237 1026036330 /nfs/dbraw/zinc/03/63/30/1026036330.db2.gz USAGFDUQGJJCEG-UHFFFAOYSA-N -1 1 327.355 3.622 20 0 EHADMM CCc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1Cl ZINC000436676137 1026049077 /nfs/dbraw/zinc/04/90/77/1026049077.db2.gz NICSDMMNCQHTTC-UHFFFAOYSA-N -1 1 332.787 3.819 20 0 EHADMM CCc1nc(CCNC(=O)c2ccc3ccccc3c2[O-])sc1C ZINC000436692613 1026050512 /nfs/dbraw/zinc/05/05/12/1026050512.db2.gz XQVLAWGZIDRDEP-UHFFFAOYSA-N -1 1 340.448 3.845 20 0 EHADMM O=C(Nc1ccc(OCCCO)cc1)c1cc2ccccc2cc1[O-] ZINC000436698603 1026057161 /nfs/dbraw/zinc/05/71/61/1026057161.db2.gz QPSSVTHHCYNUPR-UHFFFAOYSA-N -1 1 337.375 3.559 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000436702357 1026065539 /nfs/dbraw/zinc/06/55/39/1026065539.db2.gz CRKGODYQRLJQTE-LJQANCHMSA-N -1 1 337.419 3.577 20 0 EHADMM COc1ccc2c(c1)OCCN(C(=O)c1cc3ccccc3cc1[O-])C2 ZINC000436715983 1026085344 /nfs/dbraw/zinc/08/53/44/1026085344.db2.gz NJROGIQYMLIBHE-UHFFFAOYSA-N -1 1 349.386 3.589 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(Cl)cc1[O-] ZINC000436720315 1026093109 /nfs/dbraw/zinc/09/31/09/1026093109.db2.gz STTZTHCYLHBZPT-SFHVURJKSA-N -1 1 338.794 3.960 20 0 EHADMM COc1nc(C(=O)Nc2ccc(Cl)cc2[O-])cc2ccccc21 ZINC000436735521 1026101202 /nfs/dbraw/zinc/10/12/02/1026101202.db2.gz CSNYUHZKRBGWIB-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM Cn1ccnc1Sc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436759456 1026129817 /nfs/dbraw/zinc/12/98/17/1026129817.db2.gz XWXVDJOILGKJNZ-UHFFFAOYSA-N -1 1 343.383 3.668 20 0 EHADMM CC(C)c1ccc(O[C@H](C)CNC(=O)c2ccc([O-])cc2F)cc1 ZINC000436774014 1026148496 /nfs/dbraw/zinc/14/84/96/1026148496.db2.gz UXUSTPFZPSWOBJ-CYBMUJFWSA-N -1 1 331.387 3.852 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1ccccn1)C1CC1 ZINC000684870067 1026245159 /nfs/dbraw/zinc/24/51/59/1026245159.db2.gz KBLILYLNCGTZCX-UHFFFAOYSA-N -1 1 336.313 3.611 20 0 EHADMM O=C(CCCSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000582598207 1026704541 /nfs/dbraw/zinc/70/45/41/1026704541.db2.gz QWXMORAAGDEHPA-UHFFFAOYSA-N -1 1 342.342 3.956 20 0 EHADMM Cc1nc(-c2ccc(N(C)CCCc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301362523 1026777878 /nfs/dbraw/zinc/77/78/78/1026777878.db2.gz MIIXXBZWWZNMNK-UHFFFAOYSA-N -1 1 348.450 3.930 20 0 EHADMM Cc1nc(-c2ccc(NC[C@@]3(C)CCCS3)nc2)[n-]c(=O)c1C ZINC000301636273 1026885562 /nfs/dbraw/zinc/88/55/62/1026885562.db2.gz LOKCVZSTYLYDMX-QGZVFWFLSA-N -1 1 330.457 3.559 20 0 EHADMM C[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccco1 ZINC000626102741 1026995768 /nfs/dbraw/zinc/99/57/68/1026995768.db2.gz WIFYLZUEXQQRMZ-CQSZACIVSA-N -1 1 341.407 3.600 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(C)n1 ZINC000414457397 1027574119 /nfs/dbraw/zinc/57/41/19/1027574119.db2.gz KTFUTLJBISIZCR-UHFFFAOYSA-N -1 1 326.368 3.745 20 0 EHADMM COc1cc(C(=O)N[C@H](c2ccccn2)C(C)C)cc(Cl)c1[O-] ZINC000785415590 1027600239 /nfs/dbraw/zinc/60/02/39/1027600239.db2.gz JVFGDAIFVAVEST-HNNXBMFYSA-N -1 1 334.803 3.576 20 0 EHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cnc(N2CCCC2)nc1 ZINC001211936508 1027638589 /nfs/dbraw/zinc/63/85/89/1027638589.db2.gz VBALMMYUVGHWRD-UHFFFAOYSA-N -1 1 325.199 3.833 20 0 EHADMM Cc1nc(-c2ccc(N[C@H](C)C3CCCCC3)nc2)[n-]c(=O)c1C ZINC000078334726 1027677937 /nfs/dbraw/zinc/67/79/37/1027677937.db2.gz WREHWLLHGZYHMH-CQSZACIVSA-N -1 1 326.444 3.829 20 0 EHADMM Cc1ccc(OCCN(C)Cc2cccc(C(=O)[O-])c2Cl)cc1 ZINC000566357885 1027742779 /nfs/dbraw/zinc/74/27/79/1027742779.db2.gz OVPTXFQYSZDRDS-UHFFFAOYSA-N -1 1 333.815 3.857 20 0 EHADMM Cc1cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)sc1Br ZINC000422633166 1027830495 /nfs/dbraw/zinc/83/04/95/1027830495.db2.gz ILDNKDIFAUPYEK-ZJUUUORDSA-N -1 1 332.263 3.504 20 0 EHADMM CC[C@@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000414688255 1027922640 /nfs/dbraw/zinc/92/26/40/1027922640.db2.gz YCOYCZVBGVWCKQ-CYBMUJFWSA-N -1 1 338.201 3.662 20 0 EHADMM CSC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1ccccc1 ZINC000610041178 1027988437 /nfs/dbraw/zinc/98/84/37/1027988437.db2.gz YYENPIHYNXJDBH-AWEZNQCLSA-N -1 1 341.461 3.670 20 0 EHADMM Cc1ccc([O-])c(C(=O)c2cnn(CCOc3ccccc3C)c2)c1 ZINC000549963652 1028110353 /nfs/dbraw/zinc/11/03/53/1028110353.db2.gz GZFLFEVZUDPVSA-UHFFFAOYSA-N -1 1 336.391 3.516 20 0 EHADMM CC[C@H](CS(=O)(=O)[N-]c1ccccc1-c1cccs1)OC ZINC000421155295 1028135731 /nfs/dbraw/zinc/13/57/31/1028135731.db2.gz OCMLLFUOSRBOAG-GFCCVEGCSA-N -1 1 325.455 3.582 20 0 EHADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000502463888 1028242017 /nfs/dbraw/zinc/24/20/17/1028242017.db2.gz 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Cc1ccc(-c2ncc(CN3CCC[C@H](C)[C@H]3C(=O)[O-])s2)cc1 ZINC000424424741 1029046951 /nfs/dbraw/zinc/04/69/51/1029046951.db2.gz XAZWELWDJLTNDV-BBRMVZONSA-N -1 1 330.453 3.804 20 0 EHADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000445696145 1029060133 /nfs/dbraw/zinc/06/01/33/1029060133.db2.gz DCFZBIVKPAGZFI-SECBINFHSA-N -1 1 347.761 3.734 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC=C(c2ccc(O)cc2)CC1 ZINC000078228894 1029242939 /nfs/dbraw/zinc/24/29/39/1029242939.db2.gz PNPJAFLTPOBCLA-UHFFFAOYSA-N -1 1 329.783 3.681 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@H](C)c2noc(-c3ccccc3)n2)n1 ZINC000446075066 1029391917 /nfs/dbraw/zinc/39/19/17/1029391917.db2.gz VPRFWLNUMVOLDG-SNVBAGLBSA-N -1 1 328.397 3.648 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)CCC(F)(F)F)c1 ZINC000272530020 1029499940 /nfs/dbraw/zinc/49/99/40/1029499940.db2.gz TUIKWPLUDXZWMQ-UHFFFAOYSA-N -1 1 326.112 3.744 20 0 EHADMM C/C=C(/CC)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000588574721 1029591451 /nfs/dbraw/zinc/59/14/51/1029591451.db2.gz 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3.895 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)(C)C)cc2)c1 ZINC000525768402 1030106862 /nfs/dbraw/zinc/10/68/62/1030106862.db2.gz WOTBYAAKHAQXRS-UHFFFAOYSA-N -1 1 342.395 3.780 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000192584833 1030213923 /nfs/dbraw/zinc/21/39/23/1030213923.db2.gz FAARQLZVLZPUBW-UHFFFAOYSA-N -1 1 327.714 3.975 20 0 EHADMM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(F)cc1[O-] ZINC000532012790 1030271813 /nfs/dbraw/zinc/27/18/13/1030271813.db2.gz DYRFOUQMIGZKHG-CYBMUJFWSA-N -1 1 329.371 3.989 20 0 EHADMM O=C(Nc1cc(-c2cccc(F)c2)on1)Nc1ccc([O-])c(Cl)c1 ZINC000448091778 1030332754 /nfs/dbraw/zinc/33/27/54/1030332754.db2.gz CANZLAJBXAEPPB-UHFFFAOYSA-N -1 1 347.733 3.906 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1C ZINC000532291962 1030525088 /nfs/dbraw/zinc/52/50/88/1030525088.db2.gz NIUADBXOTBSJAN-UHFFFAOYSA-N -1 1 342.420 3.743 20 0 EHADMM CC1(C)CCN(C(=O)c2ccc(Br)c([O-])c2)CCS1 ZINC000228671789 1030584948 /nfs/dbraw/zinc/58/49/48/1030584948.db2.gz VJKKGAIFHQPBIP-UHFFFAOYSA-N -1 1 344.274 3.512 20 0 EHADMM Cc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1Oc1ccncc1 ZINC000193695737 1030602778 /nfs/dbraw/zinc/60/27/78/1030602778.db2.gz CSOSCGKUPPMBIY-UHFFFAOYSA-N -1 1 336.347 3.846 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1C ZINC000536118391 1030617449 /nfs/dbraw/zinc/61/74/49/1030617449.db2.gz JMNZGDHLYVZCPL-UHFFFAOYSA-N -1 1 337.828 3.960 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)c2cccnc2)c1 ZINC000482677389 1030633333 /nfs/dbraw/zinc/63/33/33/1030633333.db2.gz UCFJEMRPYLVDGW-UHFFFAOYSA-N -1 1 349.228 3.774 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCCC2(CCCC2)C1 ZINC000527120744 1030667009 /nfs/dbraw/zinc/66/70/09/1030667009.db2.gz SIKPPGSRRFRVMO-UHFFFAOYSA-N -1 1 331.460 3.585 20 0 EHADMM C[C@@H]1C[C@H](C)N1C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000527208192 1030707759 /nfs/dbraw/zinc/70/77/59/1030707759.db2.gz SPZOZQNXINWXKV-OKILXGFUSA-N -1 1 348.402 3.943 20 0 EHADMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])c(OCC(F)(F)F)c1 ZINC000194258224 1030787808 /nfs/dbraw/zinc/78/78/08/1030787808.db2.gz HBPRVVVUJPHQLV-UHFFFAOYSA-N -1 1 341.285 3.600 20 0 EHADMM Cc1ccccc1S(=O)(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000343496489 1031132184 /nfs/dbraw/zinc/13/21/84/1031132184.db2.gz GDPAWJUSPCXWPT-UHFFFAOYSA-N -1 1 341.436 3.940 20 0 EHADMM O=C(Nc1ccccc1O[C@H]1CCOC1)c1cc2ccccc2cc1[O-] ZINC000151232632 1031228145 /nfs/dbraw/zinc/22/81/45/1031228145.db2.gz ITUYRKVCXSWPKJ-INIZCTEOSA-N -1 1 349.386 3.965 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cc(Cl)ccc1F ZINC000551498199 1031388669 /nfs/dbraw/zinc/38/86/69/1031388669.db2.gz QDJZSQFYACYLBK-UHFFFAOYSA-N -1 1 343.782 3.586 20 0 EHADMM O=C([O-])[C@@H]1C=C[C@H](NCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000904015404 1031603124 /nfs/dbraw/zinc/60/31/24/1031603124.db2.gz NEZXEUJPTALILM-YPMHNXCESA-N -1 1 334.828 3.582 20 0 EHADMM O=C([O-])[C@@H](NCc1nccc2c1CCCC2)c1ccc(Cl)c(F)c1 ZINC000904006439 1031623797 /nfs/dbraw/zinc/62/37/97/1031623797.db2.gz YYXMYLIWIFZVJX-KRWDZBQOSA-N -1 1 348.805 3.668 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1F ZINC000180715375 1031901772 /nfs/dbraw/zinc/90/17/72/1031901772.db2.gz UGJPVWSAVFOONN-UHFFFAOYSA-N -1 1 348.443 3.659 20 0 EHADMM COC(=O)c1oc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)cc1C ZINC000195081654 1032025404 /nfs/dbraw/zinc/02/54/04/1032025404.db2.gz YHWBVVSYUUZWBX-VIFPVBQESA-N -1 1 334.397 3.601 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCC(c2cccc(F)c2F)CC1 ZINC000574644405 1033313509 /nfs/dbraw/zinc/31/35/09/1033313509.db2.gz HPUPWIOAAIOHDW-UHFFFAOYSA-N -1 1 335.350 3.944 20 0 EHADMM O=C(NC[C@H]1OCCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000603131931 1033377116 /nfs/dbraw/zinc/37/71/16/1033377116.db2.gz RQLPESGEBCWBDJ-LJQANCHMSA-N -1 1 333.387 3.589 20 0 EHADMM C[C@H]1CCc2ccccc2N1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000158093277 1033570071 /nfs/dbraw/zinc/57/00/71/1033570071.db2.gz MUBWVCFBGVNGIK-ZDUSSCGKSA-N -1 1 337.452 3.801 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1C[C@@H]1C(F)F ZINC000575061533 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CC(C)(C)c1ccc(N2CCC([N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000171270098 1034301189 /nfs/dbraw/zinc/30/11/89/1034301189.db2.gz DWLHGNZYYJJHBF-UHFFFAOYSA-N -1 1 328.378 3.631 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(C)c1 ZINC000534400848 1034495391 /nfs/dbraw/zinc/49/53/91/1034495391.db2.gz BTZZAVOOLUTLSL-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM CC(C)CCC(=O)NCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233198 1034553862 /nfs/dbraw/zinc/55/38/62/1034553862.db2.gz NWIYEXJDFOJTLE-UHFFFAOYSA-N -1 1 348.830 3.690 20 0 EHADMM CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233454 1034562697 /nfs/dbraw/zinc/56/26/97/1034562697.db2.gz CZJQHXCHNQKXNN-YPMLDQLKSA-N -1 1 331.799 3.952 20 0 EHADMM CC(C)(COCc1ccccc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456784725 1034728836 /nfs/dbraw/zinc/72/88/36/1034728836.db2.gz MLFJTIANJDLCQY-UHFFFAOYSA-N -1 1 335.350 3.852 20 0 EHADMM CC(C)(C)CCC1(O)CC(C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456784857 1034730219 /nfs/dbraw/zinc/73/02/19/1034730219.db2.gz 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3.953 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)co1 ZINC001126236668 1042729412 /nfs/dbraw/zinc/72/94/12/1042729412.db2.gz JZYXCJFKBNEHGE-UHFFFAOYSA-N -1 1 346.387 3.882 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2sccc2-c2ccccc2)n1 ZINC000585682232 1042952911 /nfs/dbraw/zinc/95/29/11/1042952911.db2.gz NKZHKZVGEOBBQW-UHFFFAOYSA-N -1 1 341.392 3.567 20 0 EHADMM COc1ccc(CCC(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000111667763 1042993913 /nfs/dbraw/zinc/99/39/13/1042993913.db2.gz KJDIBEDHSXBDFT-UHFFFAOYSA-N -1 1 335.787 3.634 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(-c2ccc(F)cc2)n1 ZINC000111667987 1042994160 /nfs/dbraw/zinc/99/41/60/1042994160.db2.gz LECCJUWAIVICNN-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM Cc1nnc(SCC(=O)c2ccc([O-])cc2)n1-c1ccccc1C ZINC000007189093 1043030977 /nfs/dbraw/zinc/03/09/77/1043030977.db2.gz MXFMPQOLJNDECN-UHFFFAOYSA-N -1 1 339.420 3.565 20 0 EHADMM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000006324185 1043190731 /nfs/dbraw/zinc/19/07/31/1043190731.db2.gz MYTDLPSJRZHDAS-UHFFFAOYSA-N -1 1 347.436 3.671 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)ccc1Cl ZINC000432478953 1043426094 /nfs/dbraw/zinc/42/60/94/1043426094.db2.gz QRWGFDHDGUKOHY-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c([O-])c1 ZINC000391067762 1043801740 /nfs/dbraw/zinc/80/17/40/1043801740.db2.gz TWWBGGGCYRRNPK-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM COc1cccc(-c2nsc([N-]C(=O)c3ccc(SC)o3)n2)c1 ZINC000112245276 1044592801 /nfs/dbraw/zinc/59/28/01/1044592801.db2.gz KGXUIVRUKBCTFP-UHFFFAOYSA-N -1 1 347.421 3.781 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC2(CCc3ccccc3O2)CC1 ZINC000620234296 1125523840 /nfs/dbraw/zinc/52/38/40/1125523840.db2.gz ZXXUZQODXCJPEO-UHFFFAOYSA-N -1 1 341.382 3.531 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N(CCC1CC1)CC1CC1 ZINC000620631138 1125616839 /nfs/dbraw/zinc/61/68/39/1125616839.db2.gz LFBSXALJFYVPBV-UHFFFAOYSA-N -1 1 338.245 3.807 20 0 EHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nc(-c2ccncc2)cs1 ZINC000154399985 1125716393 /nfs/dbraw/zinc/71/63/93/1125716393.db2.gz RWKIUCUNCNIGJD-SNVBAGLBSA-N -1 1 343.383 3.541 20 0 EHADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000622583374 1126724124 /nfs/dbraw/zinc/72/41/24/1126724124.db2.gz UULQVZBPZQYZRQ-SECBINFHSA-N -1 1 337.288 3.966 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2C1 ZINC000171346225 1126762671 /nfs/dbraw/zinc/76/26/71/1126762671.db2.gz YPBMQPAWWPSJPZ-UHFFFAOYSA-N -1 1 344.480 3.830 20 0 EHADMM Cc1noc2ncc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc12 ZINC000350817090 1127105447 /nfs/dbraw/zinc/10/54/47/1127105447.db2.gz RCBRURADJJRQTM-UHFFFAOYSA-N -1 1 328.715 3.607 20 0 EHADMM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000181317332 1127273467 /nfs/dbraw/zinc/27/34/67/1127273467.db2.gz OSEJLRNFYGKRKY-UHFFFAOYSA-N -1 1 341.379 3.943 20 0 EHADMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c(F)c1 ZINC000195080287 1127473213 /nfs/dbraw/zinc/47/32/13/1127473213.db2.gz CHVKILSVKJKKSL-JTQLQIEISA-N -1 1 347.415 3.626 20 0 EHADMM CCOc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)S3)cc(Cl)c1[O-] ZINC000888353605 1127882832 /nfs/dbraw/zinc/88/28/32/1127882832.db2.gz DXTNHOCVXVBBNB-YOGCLGLASA-N -1 1 341.860 3.601 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000351401855 1127934338 /nfs/dbraw/zinc/93/43/38/1127934338.db2.gz MYAFBBJHWKNXMU-MNOVXSKESA-N -1 1 339.317 3.699 20 0 EHADMM C[C@@H]1CCC[C@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000047034583 1127998843 /nfs/dbraw/zinc/99/88/43/1127998843.db2.gz GELDQORZIZICPP-PBHICJAKSA-N -1 1 344.455 3.575 20 0 EHADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccccc1-c1cccs1 ZINC000110096948 1128256816 /nfs/dbraw/zinc/25/68/16/1128256816.db2.gz GVYJGHMKEAKZBL-CYBMUJFWSA-N -1 1 337.466 3.726 20 0 EHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC2(CCCCC2)O1 ZINC000656192487 1128804796 /nfs/dbraw/zinc/80/47/96/1128804796.db2.gz WSXJNJPPERAKJA-CZUORRHYSA-N -1 1 337.847 3.889 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1cccc(F)c1 ZINC000007055656 1128845829 /nfs/dbraw/zinc/84/58/29/1128845829.db2.gz IDGLYPSOQPVHNZ-UHFFFAOYSA-N -1 1 349.383 3.668 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC(c2ccc(Cl)cc2)C1 ZINC001648786539 1120014897 /nfs/dbraw/zinc/01/48/97/1120014897.db2.gz OJYDAWSYBJPHHV-UHFFFAOYSA-N -1 1 336.218 3.868 20 0 EHADMM CCC([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)(C1CC1)C1CC1 ZINC001670369048 1120039698 /nfs/dbraw/zinc/03/96/98/1120039698.db2.gz XBJHKHDTLWKBEX-UHFFFAOYSA-N -1 1 349.283 3.636 20 0 EHADMM Cc1nc(SC(F)F)sc1CC(=O)Nc1cccc(F)c1[O-] ZINC001648851169 1120054518 /nfs/dbraw/zinc/05/45/18/1120054518.db2.gz XBJMOPBSAHHQME-UHFFFAOYSA-N -1 1 348.371 3.792 20 0 EHADMM CC(C)c1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cs1 ZINC000338759517 1128893487 /nfs/dbraw/zinc/89/34/87/1128893487.db2.gz YXTFABSKOGXOLS-UHFFFAOYSA-N -1 1 328.397 3.615 20 0 EHADMM COc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000076195177 1128909965 /nfs/dbraw/zinc/90/99/65/1128909965.db2.gz UIVASOCEFXQDNT-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM CC[C@H](NCc1ccc(OC)c2ccccc12)c1nc(C(=O)[O-])c[nH]1 ZINC000904065916 1120351543 /nfs/dbraw/zinc/35/15/43/1120351543.db2.gz VZEQZRYYOQWLQT-HNNXBMFYSA-N -1 1 339.395 3.511 20 0 EHADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000188945147 1120518833 /nfs/dbraw/zinc/51/88/33/1120518833.db2.gz UYMVQLYGFCVKAC-UHFFFAOYSA-N -1 1 346.452 3.878 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(-n2cccn2)ccc1C ZINC000190403797 1120636252 /nfs/dbraw/zinc/63/62/52/1120636252.db2.gz PUSQHKGCGAZZRM-UHFFFAOYSA-N -1 1 341.436 3.544 20 0 EHADMM COC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(F)c1 ZINC000192214272 1120725983 /nfs/dbraw/zinc/72/59/83/1120725983.db2.gz DSSQRVWKMGOSDB-UHFFFAOYSA-N -1 1 338.722 3.615 20 0 EHADMM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000227384158 1120878724 /nfs/dbraw/zinc/87/87/24/1120878724.db2.gz UBZMYGUVZKKIBT-MNOVXSKESA-N -1 1 344.274 3.559 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(Br)c2C)c([O-])c1 ZINC000227869667 1120920502 /nfs/dbraw/zinc/92/05/02/1120920502.db2.gz IGIWRBXJFJTPQP-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000008697144 1128951991 /nfs/dbraw/zinc/95/19/91/1128951991.db2.gz PCXCUNXKGXWBQB-UHFFFAOYSA-N -1 1 327.409 3.554 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)c1 ZINC000007060360 1121324218 /nfs/dbraw/zinc/32/42/18/1121324218.db2.gz RBHWZUSWWHNFOP-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM O=C(CCCc1ccccc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000915587655 1121550330 /nfs/dbraw/zinc/55/03/30/1121550330.db2.gz SGKMLGVNRPNWQY-UHFFFAOYSA-N -1 1 338.359 3.565 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000054293445 1121751364 /nfs/dbraw/zinc/75/13/64/1121751364.db2.gz GCUGNVKSOMCSQA-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000055595083 1121842701 /nfs/dbraw/zinc/84/27/01/1121842701.db2.gz OWMPGHYVCYDUFO-UHFFFAOYSA-N -1 1 346.452 3.761 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1Cl ZINC000055633028 1121848262 /nfs/dbraw/zinc/84/82/62/1121848262.db2.gz LKELINASFCTTKT-UHFFFAOYSA-N -1 1 329.780 3.679 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(F)(F)c1ccc(F)cc1 ZINC000763226524 1121915149 /nfs/dbraw/zinc/91/51/49/1121915149.db2.gz XYOZAAOFJDUNOF-UHFFFAOYSA-N -1 1 347.296 3.652 20 0 EHADMM CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cc(F)ccc2[O-])n1 ZINC000763349163 1121972135 /nfs/dbraw/zinc/97/21/35/1121972135.db2.gz POEHJTYMFVUGGC-GFCCVEGCSA-N -1 1 349.362 3.653 20 0 EHADMM CC[C@@H]1CCCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000124672524 1122292254 /nfs/dbraw/zinc/29/22/54/1122292254.db2.gz JPLXIUDBCPZTFM-GFCCVEGCSA-N -1 1 326.234 3.950 20 0 EHADMM COc1cc(CN(C)C(=O)c2ccc3ccccc3c2[O-])ccc1O ZINC000125845646 1122347902 /nfs/dbraw/zinc/34/79/02/1122347902.db2.gz FPRMCPMKYHJHCK-UHFFFAOYSA-N -1 1 337.375 3.532 20 0 EHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3ncccc23)c(C)c1 ZINC000556076139 1122803708 /nfs/dbraw/zinc/80/37/08/1122803708.db2.gz OVJRFRMFQAWTIF-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1 ZINC000072602058 1123126944 /nfs/dbraw/zinc/12/69/44/1123126944.db2.gz APLWOKBNZBFRIR-UHFFFAOYSA-N -1 1 330.453 3.650 20 0 EHADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCc2c1cccc2Cl ZINC000131557622 1123137520 /nfs/dbraw/zinc/13/75/20/1123137520.db2.gz WCMGEXJSPODTNA-CQSZACIVSA-N -1 1 345.855 3.757 20 0 EHADMM CSC[C@@H](C)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000556846339 1123148135 /nfs/dbraw/zinc/14/81/35/1123148135.db2.gz LNHFHBUHFDGUKV-ZCFIWIBFSA-N -1 1 338.654 3.746 20 0 EHADMM CN(Cc1ccc(Br)o1)C(=O)c1ccc(Cl)cc1[O-] ZINC000073955159 1123233150 /nfs/dbraw/zinc/23/31/50/1123233150.db2.gz RRETVMCYFPUIBR-UHFFFAOYSA-N -1 1 344.592 3.673 20 0 EHADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2C)o1 ZINC000135406368 1123609367 /nfs/dbraw/zinc/60/93/67/1123609367.db2.gz YTROXZIZZHBPCG-UHFFFAOYSA-N -1 1 345.424 3.704 20 0 EHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1 ZINC000135961430 1123655681 /nfs/dbraw/zinc/65/56/81/1123655681.db2.gz YNRAVLGZMIONEH-UHFFFAOYSA-N -1 1 343.408 3.661 20 0 EHADMM CCc1ocnc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000265814594 1129160894 /nfs/dbraw/zinc/16/08/94/1129160894.db2.gz YXPFKGOUKIDBSR-UHFFFAOYSA-N -1 1 330.331 3.986 20 0 EHADMM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000067124775 1129245800 /nfs/dbraw/zinc/24/58/00/1129245800.db2.gz KWACCAILMMZBAJ-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM COc1ccc2nc(-c3cc(F)ccc3Br)[n-]c(=O)c2c1 ZINC000069579349 1129462670 /nfs/dbraw/zinc/46/26/70/1129462670.db2.gz UVJHDZWUHDDZCE-UHFFFAOYSA-N -1 1 349.159 3.500 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000509068929 1129716824 /nfs/dbraw/zinc/71/68/24/1129716824.db2.gz SCGFVOCVVJEZBL-UHFFFAOYSA-N -1 1 335.450 3.534 20 0 EHADMM CCOc1cc([N-]S(=O)(=O)c2cccc(SC)c2)ccc1C ZINC000509075176 1129724001 /nfs/dbraw/zinc/72/40/01/1129724001.db2.gz OTOUQMHMXXEFDS-UHFFFAOYSA-N -1 1 337.466 3.916 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000509100769 1129749522 /nfs/dbraw/zinc/74/95/22/1129749522.db2.gz TYOOIAYSDSIIEF-UHFFFAOYSA-N -1 1 345.392 3.811 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c1 ZINC000509103543 1129749683 /nfs/dbraw/zinc/74/96/83/1129749683.db2.gz PUOBCFGKUABOFW-UHFFFAOYSA-N -1 1 332.450 3.999 20 0 EHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000171013674 1129997687 /nfs/dbraw/zinc/99/76/87/1129997687.db2.gz RJNUHOQAJVUHAD-LBPRGKRZSA-N -1 1 337.466 3.917 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1CC ZINC000486076560 1130438206 /nfs/dbraw/zinc/43/82/06/1130438206.db2.gz DBWIYEWXUAKORN-UHFFFAOYSA-N -1 1 337.416 3.760 20 0 EHADMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])c1nc(C2CC2)no1 ZINC000730361783 1130703212 /nfs/dbraw/zinc/70/32/12/1130703212.db2.gz HBKKAYDLTGPQMX-LURJTMIESA-N -1 1 343.166 3.877 20 0 EHADMM O=C(NCCCc1c[nH]c2ccccc12)c1c([O-])cccc1Cl ZINC000730841127 1130742181 /nfs/dbraw/zinc/74/21/81/1130742181.db2.gz BRFJJGLXJZBPPO-UHFFFAOYSA-N -1 1 328.799 3.890 20 0 EHADMM Cc1nonc1[N-]C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000731331189 1130787292 /nfs/dbraw/zinc/78/72/92/1130787292.db2.gz OBKZIKGTDOHWJO-UHFFFAOYSA-N -1 1 346.346 3.952 20 0 EHADMM O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(Cl)cc1[O-] ZINC000731828437 1130847255 /nfs/dbraw/zinc/84/72/55/1130847255.db2.gz JRYYTRAFMOARNX-SFHVURJKSA-N -1 1 341.794 3.662 20 0 EHADMM CC(=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(F)c1 ZINC000732268795 1130908198 /nfs/dbraw/zinc/90/81/98/1130908198.db2.gz BUFLNZRSHUFCSY-FMIVXFBMSA-N -1 1 337.354 3.963 20 0 EHADMM CCn1c(CNC(=O)c2ccc3ccccc3c2[O-])nc2ccccc21 ZINC000733366192 1131030997 /nfs/dbraw/zinc/03/09/97/1131030997.db2.gz OAIDZTYXVHOPJE-UHFFFAOYSA-N -1 1 345.402 3.845 20 0 EHADMM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000734353366 1131228347 /nfs/dbraw/zinc/22/83/47/1131228347.db2.gz LLUHJSPAEYYVJK-GOSISDBHSA-N -1 1 345.826 3.943 20 0 EHADMM CCC(CC)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740925148 1131558543 /nfs/dbraw/zinc/55/85/43/1131558543.db2.gz IVUWQTUQNDGENX-UHFFFAOYSA-N -1 1 336.432 3.905 20 0 EHADMM COc1ccc(CC[C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000742824062 1131795245 /nfs/dbraw/zinc/79/52/45/1131795245.db2.gz MSMZXRNLOZNGHT-GFCCVEGCSA-N -1 1 333.815 3.805 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=Cc2ccccc2F)c1 ZINC000744553870 1132121395 /nfs/dbraw/zinc/12/13/95/1132121395.db2.gz VAWPOCGHPVDFEX-VQHVLOKHSA-N -1 1 328.339 3.533 20 0 EHADMM CCCOc1cccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1 ZINC000744795108 1132152935 /nfs/dbraw/zinc/15/29/35/1132152935.db2.gz TYURYLACIOUYSU-UHFFFAOYSA-N -1 1 342.391 3.783 20 0 EHADMM COc1cncc(Nc2c(Cl)ccc(Br)c2[O-])c1 ZINC001174092054 1132225998 /nfs/dbraw/zinc/22/59/98/1132225998.db2.gz OFNZWNOULFJLQK-UHFFFAOYSA-N -1 1 329.581 3.955 20 0 EHADMM Cc1oc(-c2ccccc2)nc1COC(=O)c1c([O-])cc(F)cc1F ZINC000749283966 1132483137 /nfs/dbraw/zinc/48/31/37/1132483137.db2.gz SNQFMDQBLGWPKZ-UHFFFAOYSA-N -1 1 345.301 3.991 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cc(F)cc(C(F)(F)F)c2)c1 ZINC001175064419 1132540279 /nfs/dbraw/zinc/54/02/79/1132540279.db2.gz WECGHDKCLZWOPS-UHFFFAOYSA-N -1 1 349.305 3.697 20 0 EHADMM CCOc1ccc(F)c(Nc2cc3ccc([O-])cc3oc2=O)c1F ZINC001175039802 1132545765 /nfs/dbraw/zinc/54/57/65/1132545765.db2.gz PIHFFYWKWRZFQT-UHFFFAOYSA-N -1 1 333.290 3.919 20 0 EHADMM c1coc(-c2nnc([N-]c3cccc(O[C@@H]4CCCCO4)c3)o2)c1 ZINC001175183934 1132591457 /nfs/dbraw/zinc/59/14/57/1132591457.db2.gz SVBMJGJRVZTQMT-OAHLLOKOSA-N -1 1 327.340 3.979 20 0 EHADMM [O-]c1c(Br)c(F)ccc1Nc1cnc2cccnc2c1 ZINC001175360598 1132649132 /nfs/dbraw/zinc/64/91/32/1132649132.db2.gz JCACXAYXNRPBSD-UHFFFAOYSA-N -1 1 334.148 3.981 20 0 EHADMM O=C(CCCCc1nc2ccccc2s1)[N-]OCC(F)(F)F ZINC000766764961 1132797594 /nfs/dbraw/zinc/79/75/94/1132797594.db2.gz NDVLNQJILQICJH-UHFFFAOYSA-N -1 1 332.347 3.619 20 0 EHADMM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc([O-])c(F)c1 ZINC000767291482 1132978692 /nfs/dbraw/zinc/97/86/92/1132978692.db2.gz QEALETPFQNYVKZ-UHFFFAOYSA-N -1 1 337.734 3.598 20 0 EHADMM COC(=O)c1cc(C)c(Nc2c(F)cc(F)c([O-])c2F)cc1C ZINC001176671064 1132979089 /nfs/dbraw/zinc/97/90/89/1132979089.db2.gz SACAIDMZTNDUFB-UHFFFAOYSA-N -1 1 325.286 3.957 20 0 EHADMM COc1ncc(Nc2c(F)cc(F)c([O-])c2F)cc1Br ZINC001176662333 1132986168 /nfs/dbraw/zinc/98/61/68/1132986168.db2.gz LAOVHKIBNCZSIG-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM CN(C)c1cc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])ccn1 ZINC000767533767 1133015927 /nfs/dbraw/zinc/01/59/27/1133015927.db2.gz DPIZXNASWADFOZ-UHFFFAOYSA-N -1 1 341.194 3.517 20 0 EHADMM Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001176988930 1133017456 /nfs/dbraw/zinc/01/74/56/1133017456.db2.gz VFLQQGXRBXMMAM-UHFFFAOYSA-N -1 1 345.826 3.942 20 0 EHADMM Cc1ccsc1C=CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001177074813 1133028552 /nfs/dbraw/zinc/02/85/52/1133028552.db2.gz FKGUBWUWTPBITP-VOTSOKGWSA-N -1 1 325.393 3.600 20 0 EHADMM CC[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(Cl)cc1 ZINC000773736800 1133155339 /nfs/dbraw/zinc/15/53/39/1133155339.db2.gz NDTBSKAHLOASOE-ZDUSSCGKSA-N -1 1 346.843 3.553 20 0 EHADMM O=C(NC[C@]1(c2ccccc2)CCCO1)c1ccc2ccccc2c1[O-] ZINC001178540242 1133177379 /nfs/dbraw/zinc/17/73/79/1133177379.db2.gz SLBXFWYAWBWWBE-QFIPXVFZSA-N -1 1 347.414 3.981 20 0 EHADMM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)C=Cc1cccc(Cl)c1 ZINC000768867878 1133192855 /nfs/dbraw/zinc/19/28/55/1133192855.db2.gz STZJMFHCHNLRGT-AATRIKPKSA-N -1 1 347.774 3.722 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cnc(-c2ccncc2)s1 ZINC001179659776 1133267764 /nfs/dbraw/zinc/26/77/64/1133267764.db2.gz DMXFCJDPNGLYNL-UHFFFAOYSA-N -1 1 349.774 3.956 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000769634835 1133319412 /nfs/dbraw/zinc/31/94/12/1133319412.db2.gz VDGHNOXTQBMMOW-HUUCEWRRSA-N -1 1 333.476 3.949 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000769750513 1133342833 /nfs/dbraw/zinc/34/28/33/1133342833.db2.gz CGPPUAZSAXTPCR-UHFFFAOYSA-N -1 1 341.798 3.611 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1F ZINC000769888125 1133363373 /nfs/dbraw/zinc/36/33/73/1133363373.db2.gz BCAWRDGBXHENQZ-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM COC(=O)c1ccc2c(c1)N(C(=O)c1ccc3ccccc3c1[O-])CC2 ZINC001180659581 1133403474 /nfs/dbraw/zinc/40/34/74/1133403474.db2.gz MRSRPWNSYKCMJI-UHFFFAOYSA-N -1 1 347.370 3.535 20 0 EHADMM C[C@H]1CCc2ccccc2N1CCNC(=O)c1cc(Cl)ccc1[O-] ZINC001182380082 1133643021 /nfs/dbraw/zinc/64/30/21/1133643021.db2.gz KDGOAWNKUWOLJZ-ZDUSSCGKSA-N -1 1 344.842 3.617 20 0 EHADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccc1OC ZINC000785517457 1133717352 /nfs/dbraw/zinc/71/73/52/1133717352.db2.gz UIZPDDJFVYJUAE-CQSZACIVSA-N -1 1 349.814 3.944 20 0 EHADMM CCC(CC)(CNC(=O)c1cc(Cl)c([O-])c(OC)c1)SC ZINC000785598379 1133724937 /nfs/dbraw/zinc/72/49/37/1133724937.db2.gz SRKPQACSIYXLAF-UHFFFAOYSA-N -1 1 331.865 3.706 20 0 EHADMM CSc1nc(NC(=O)Cc2sc3ccccc3c2C)cc(=O)[n-]1 ZINC001183240867 1133784678 /nfs/dbraw/zinc/78/46/78/1133784678.db2.gz AUKWVFUXCCDVLU-UHFFFAOYSA-N -1 1 345.449 3.608 20 0 EHADMM CCCCSc1ccc(Cl)cc1C(=O)Nc1c[n-][nH]c1=O ZINC001183563027 1133823781 /nfs/dbraw/zinc/82/37/81/1133823781.db2.gz OWXUBWINTTYTHL-UHFFFAOYSA-N -1 1 325.821 3.913 20 0 EHADMM CC(C)(C)c1ccnc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001184550907 1133963076 /nfs/dbraw/zinc/96/30/76/1133963076.db2.gz WWABKHQXNWJWGL-UHFFFAOYSA-N -1 1 336.395 3.523 20 0 EHADMM COC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC000787657462 1134025714 /nfs/dbraw/zinc/02/57/14/1134025714.db2.gz GTUUIWWMGSGDCN-ZDUSSCGKSA-N -1 1 340.206 3.817 20 0 EHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185221666 1134052448 /nfs/dbraw/zinc/05/24/48/1134052448.db2.gz NQKDCWFGCVXGEG-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM O=S(=O)([N-]c1cc(F)cnc1Cl)c1cc2ccccc2s1 ZINC001185429798 1134084854 /nfs/dbraw/zinc/08/48/54/1134084854.db2.gz UITFKEVKANTMIJ-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)c3ccccc32)sn1 ZINC001186059101 1134167524 /nfs/dbraw/zinc/16/75/24/1134167524.db2.gz ZTVQTFRERBVIAN-CQSZACIVSA-N -1 1 336.482 3.543 20 0 EHADMM O=C(Nc1nc(Cl)c(Cl)nc1Cl)c1ccc([O-])c(F)c1 ZINC001186209534 1134188194 /nfs/dbraw/zinc/18/81/94/1134188194.db2.gz WTJSUYNIZXYZQQ-UHFFFAOYSA-N -1 1 336.537 3.534 20 0 EHADMM O=C(Nc1cncc(OCc2ccccc2)c1)c1ccc([O-])cc1F ZINC001186319417 1134194826 /nfs/dbraw/zinc/19/48/26/1134194826.db2.gz VLHPXYFMRSZVGN-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM O=S(=O)([N-][C@H](C1CCC1)C(F)(F)F)c1csc2ccccc21 ZINC001186524263 1134229047 /nfs/dbraw/zinc/22/90/47/1134229047.db2.gz ZFVGYFFAFCDVPH-CYBMUJFWSA-N -1 1 349.399 3.911 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1cc2cc(F)ccc2o1 ZINC001186951389 1134276574 /nfs/dbraw/zinc/27/65/74/1134276574.db2.gz FLDUMBCGJRDCDH-CYBMUJFWSA-N -1 1 345.395 3.580 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000142229361 1134277111 /nfs/dbraw/zinc/27/71/11/1134277111.db2.gz DGUNWFWEAYBSBE-UHFFFAOYSA-N -1 1 342.207 3.671 20 0 EHADMM O=S(=O)([N-]c1cc(F)cnc1Cl)c1cc2c(s1)CCCC2 ZINC001187184376 1134306631 /nfs/dbraw/zinc/30/66/31/1134306631.db2.gz CZKQDJUSKRRNHP-UHFFFAOYSA-N -1 1 346.836 3.615 20 0 EHADMM COc1cc(OC)c(NC(=O)Nc2c([O-])cccc2F)cc1Cl ZINC001187398384 1134331941 /nfs/dbraw/zinc/33/19/41/1134331941.db2.gz LQWIGTQAXGIRNT-UHFFFAOYSA-N -1 1 340.738 3.846 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc(-c2ccc(O)cc2)n1 ZINC000790048797 1134364719 /nfs/dbraw/zinc/36/47/19/1134364719.db2.gz VRFRYQAHOFWDDW-UHFFFAOYSA-N -1 1 347.783 3.522 20 0 EHADMM O=C(CCCCC(=O)c1ccccc1)Nc1nc(Cl)ccc1[O-] ZINC000790050497 1134365760 /nfs/dbraw/zinc/36/57/60/1134365760.db2.gz CGXFGIFYMKYCKL-UHFFFAOYSA-N -1 1 332.787 3.822 20 0 EHADMM Cc1csc(C(=O)Nc2nc(Cl)ccc2[O-])c1Br ZINC000790055149 1134366823 /nfs/dbraw/zinc/36/68/23/1134366823.db2.gz DPDDPIREYGPKBL-UHFFFAOYSA-N -1 1 347.621 3.825 20 0 EHADMM O=C(Nc1ccc(C(F)F)cn1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572340 1134475378 /nfs/dbraw/zinc/47/53/78/1134475378.db2.gz OMFMUFZRXDANGH-UHFFFAOYSA-N -1 1 332.228 3.996 20 0 EHADMM Cc1n[nH]c2cc(NC(=O)c3ccc([O-])c(C(F)(F)F)c3)ccc12 ZINC001188585794 1134484875 /nfs/dbraw/zinc/48/48/75/1134484875.db2.gz JDFARMKDFZJADM-UHFFFAOYSA-N -1 1 335.285 3.848 20 0 EHADMM CCCc1ccc(C(=O)Nc2nc(Br)ccc2[O-])s1 ZINC001189504205 1134592881 /nfs/dbraw/zinc/59/28/81/1134592881.db2.gz AQUWGGHERRPZRP-UHFFFAOYSA-N -1 1 341.230 3.816 20 0 EHADMM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001189756905 1134621873 /nfs/dbraw/zinc/62/18/73/1134621873.db2.gz YVJMUBABUSIRBC-SNVBAGLBSA-N -1 1 335.391 3.741 20 0 EHADMM O=C(Nc1nc2ccccc2s1)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190256998 1134673224 /nfs/dbraw/zinc/67/32/24/1134673224.db2.gz CJHJNOGNQXAKCH-UHFFFAOYSA-N -1 1 348.387 3.711 20 0 EHADMM C[C@H]1c2ccccc2CCN1C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190258210 1134673451 /nfs/dbraw/zinc/67/34/51/1134673451.db2.gz MTVQOACHZAMYQG-AWEZNQCLSA-N -1 1 345.402 3.609 20 0 EHADMM O=S(=O)([N-]c1ccnc(C(F)(F)F)c1)c1ccc(C2CC2)cc1 ZINC001190467617 1134705520 /nfs/dbraw/zinc/70/55/20/1134705520.db2.gz GFDUFBXBYXMALJ-UHFFFAOYSA-N -1 1 342.342 3.779 20 0 EHADMM CC(C)(O)c1ccccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500977 1134707312 /nfs/dbraw/zinc/70/73/12/1134707312.db2.gz SUUWWTWRRHUNRY-UHFFFAOYSA-N -1 1 331.437 3.592 20 0 EHADMM CCOc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190511330 1134709023 /nfs/dbraw/zinc/70/90/23/1134709023.db2.gz DCNPRHHDGOXIFI-UHFFFAOYSA-N -1 1 335.400 3.903 20 0 EHADMM COc1cc(C(=O)NCc2cccc(C(F)F)c2)cc(Cl)c1[O-] ZINC001191148295 1134801661 /nfs/dbraw/zinc/80/16/61/1134801661.db2.gz JZSWFBWNLAQDAB-UHFFFAOYSA-N -1 1 341.741 3.922 20 0 EHADMM COc1cc(C(=O)Nc2ccccc2-c2ncc[nH]2)cc(Cl)c1[O-] ZINC001191149016 1134801796 /nfs/dbraw/zinc/80/17/96/1134801796.db2.gz ZXHWQZWOKJVYOC-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)=O)cc1 ZINC001191249043 1134836784 /nfs/dbraw/zinc/83/67/84/1134836784.db2.gz MFGYYYDOBJCYJD-UHFFFAOYSA-N -1 1 346.452 3.788 20 0 EHADMM COc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191526656 1134880012 /nfs/dbraw/zinc/88/00/12/1134880012.db2.gz JSLXAXBOBIPPNX-UHFFFAOYSA-N -1 1 337.363 3.646 20 0 EHADMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(O)c3C)ccc2c1 ZINC001191969678 1134952892 /nfs/dbraw/zinc/95/28/92/1134952892.db2.gz PTQZHUKQXDCRTC-UHFFFAOYSA-N -1 1 343.404 3.663 20 0 EHADMM O=C([N-]c1cc(Cl)cc(Cl)n1)c1nc(Cc2ccccc2)no1 ZINC001192262988 1134989907 /nfs/dbraw/zinc/98/99/07/1134989907.db2.gz ZZVCUOFVUQUCPE-UHFFFAOYSA-N -1 1 349.177 3.615 20 0 EHADMM O=C([N-]c1cc(F)cc2cccnc21)c1nc(Cc2ccccc2)no1 ZINC001192276901 1134992612 /nfs/dbraw/zinc/99/26/12/1134992612.db2.gz SMBIXLXZTVEDOS-UHFFFAOYSA-N -1 1 348.337 3.600 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cnccc2OC(F)F)c([O-])c1 ZINC001192313668 1134997420 /nfs/dbraw/zinc/99/74/20/1134997420.db2.gz GUVZVNVSAQLUHU-UHFFFAOYSA-N -1 1 336.338 3.938 20 0 EHADMM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1cc([O-])cc(F)c1F ZINC001192664920 1135047371 /nfs/dbraw/zinc/04/73/71/1135047371.db2.gz HVNSGXHHSGEAEC-INIZCTEOSA-N -1 1 347.361 3.794 20 0 EHADMM O=C(Nc1c(Cl)ccc(O)c1Cl)c1c([O-])c(F)ccc1F ZINC001192706903 1135050471 /nfs/dbraw/zinc/05/04/71/1135050471.db2.gz QFSWPQFGBHOUGE-UHFFFAOYSA-N -1 1 334.105 3.935 20 0 EHADMM CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192902684 1135070304 /nfs/dbraw/zinc/07/03/04/1135070304.db2.gz LZUXQKOEVZAISK-UHFFFAOYSA-N -1 1 328.796 3.798 20 0 EHADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Cl)cc(Cl)c1Cl ZINC001193260657 1135119018 /nfs/dbraw/zinc/11/90/18/1135119018.db2.gz DVGGLNZAWJEYMQ-QMMMGPOBSA-N -1 1 344.647 3.568 20 0 EHADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C)c3ccccc32)n1 ZINC001193835053 1135191950 /nfs/dbraw/zinc/19/19/50/1135191950.db2.gz ZUEHODKOFQUGOG-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM O=S(=O)([N-]c1ccc(CO)cc1)c1ccc(-c2cccs2)cc1 ZINC001194161459 1135235532 /nfs/dbraw/zinc/23/55/32/1135235532.db2.gz CQTDEYBTDGHCLT-UHFFFAOYSA-N -1 1 345.445 3.708 20 0 EHADMM O=S(=O)([N-]c1ncccc1F)c1ccc(-c2cccs2)cc1 ZINC001194141358 1135239742 /nfs/dbraw/zinc/23/97/42/1135239742.db2.gz FGWONCBSANWSTK-UHFFFAOYSA-N -1 1 334.397 3.750 20 0 EHADMM O=c1cc(CN2Cc3cccc(Cl)c3C2)c2ccc([O-])cc2o1 ZINC000805804711 1135334588 /nfs/dbraw/zinc/33/45/88/1135334588.db2.gz DCXWQGDWZDRCCW-UHFFFAOYSA-N -1 1 327.767 3.668 20 0 EHADMM O=C(Nc1cc(F)cc(Br)c1)c1cc([O-])cnc1Cl ZINC001195308629 1135410666 /nfs/dbraw/zinc/41/06/66/1135410666.db2.gz IIBRSBKRCBRFJK-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM C[C@H](NC(=O)c1cc([O-])cnc1Cl)c1ccccc1C(F)(F)F ZINC001195313235 1135411809 /nfs/dbraw/zinc/41/18/09/1135411809.db2.gz UOVOCARUXIBPMS-QMMMGPOBSA-N -1 1 344.720 3.950 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@@H]2CCC[C@@H]12)c1c(Cl)cc(F)cc1Cl ZINC001195870439 1135484678 /nfs/dbraw/zinc/48/46/78/1135484678.db2.gz VOSDHECNMKETEU-LPBBDHJYSA-N -1 1 338.231 3.599 20 0 EHADMM [O-]c1cc(F)c(F)cc1NC(=S)NCc1cccc(Cl)c1 ZINC001195981464 1135496161 /nfs/dbraw/zinc/49/61/61/1135496161.db2.gz CHEZRXKKWXMYHB-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM O=C(Nc1c(Cl)ccc(O)c1Cl)c1cc(Cl)ncc1[O-] ZINC001196395681 1135554497 /nfs/dbraw/zinc/55/44/97/1135554497.db2.gz IEIZGFKXISEVLU-UHFFFAOYSA-N -1 1 333.558 3.705 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)ccn1 ZINC001196413675 1135560352 /nfs/dbraw/zinc/56/03/52/1135560352.db2.gz BFOJMSGXDMCYPU-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)n1 ZINC000808569945 1135695745 /nfs/dbraw/zinc/69/57/45/1135695745.db2.gz LDAXKXWYLPIOOH-HJWRWDBZSA-N -1 1 340.857 3.870 20 0 EHADMM CN(Cc1nc2c(s1)CCCC2)C(=O)c1c([O-])cccc1Cl ZINC000747522159 1135710637 /nfs/dbraw/zinc/71/06/37/1135710637.db2.gz CUIPOXTZRACELW-UHFFFAOYSA-N -1 1 336.844 3.653 20 0 EHADMM COc1ccc(C)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197636517 1135721925 /nfs/dbraw/zinc/72/19/25/1135721925.db2.gz LFGAPDSEIXZTLR-UHFFFAOYSA-N -1 1 343.807 3.738 20 0 EHADMM Cc1cccnc1[C@H](C)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001198640369 1135841200 /nfs/dbraw/zinc/84/12/00/1135841200.db2.gz BXZMLRJMBNDISC-NSHDSACASA-N -1 1 344.798 3.706 20 0 EHADMM O=C1CCCc2cc([N-]S(=O)(=O)c3ccc4occc4c3)ccc21 ZINC001198869116 1135864522 /nfs/dbraw/zinc/86/45/22/1135864522.db2.gz QCRDAZZNGZMOHJ-UHFFFAOYSA-N -1 1 341.388 3.753 20 0 EHADMM CC(C)n1cc2c(n1)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)CCC2 ZINC000867301195 1135877610 /nfs/dbraw/zinc/87/76/10/1135877610.db2.gz XIRGHMNGSJQYTQ-OAHLLOKOSA-N -1 1 347.846 3.559 20 0 EHADMM [O-]C(c1cccc(Nc2cnoc2)c1)(C(F)(F)F)C(F)(F)F ZINC001203245693 1135891178 /nfs/dbraw/zinc/89/11/78/1135891178.db2.gz VGQABNMSWPGWBG-UHFFFAOYSA-N -1 1 326.196 3.730 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)Nc1cc(F)cc(Cl)c1 ZINC001201700077 1136054281 /nfs/dbraw/zinc/05/42/81/1136054281.db2.gz IGVLRHISAMABFO-UHFFFAOYSA-N -1 1 344.720 3.827 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccc(C2CC2)cc1)c1ccccc1N ZINC001201683525 1136056428 /nfs/dbraw/zinc/05/64/28/1136056428.db2.gz SMBRZTCTZAJLIO-UHFFFAOYSA-N -1 1 341.436 3.925 20 0 EHADMM Cc1cccc(C(=O)Nc2nc(Br)ccc2[O-])c1Cl ZINC000121598343 1136061096 /nfs/dbraw/zinc/06/10/96/1136061096.db2.gz CVDILUGHHHEUST-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM Cc1cccc(CO)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201799683 1136064036 /nfs/dbraw/zinc/06/40/36/1136064036.db2.gz WEJFMWIYXZHSNL-UHFFFAOYSA-N -1 1 347.480 3.830 20 0 EHADMM O=C(Nc1ccc(Cl)cc1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001202376650 1136135884 /nfs/dbraw/zinc/13/58/84/1136135884.db2.gz ILALWKZKYQHFPQ-UHFFFAOYSA-N -1 1 328.759 3.875 20 0 EHADMM CCc1cc2c(COC(=O)c3ccc(C)s3)cc(=O)oc2cc1[O-] ZINC000005975384 1136152522 /nfs/dbraw/zinc/15/25/22/1136152522.db2.gz ATMRCUWGHWWLIQ-UHFFFAOYSA-N -1 1 344.388 3.788 20 0 EHADMM O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1c([O-])cccc1Cl ZINC000813694735 1136354874 /nfs/dbraw/zinc/35/48/74/1136354874.db2.gz BPDDSSBKCQBNGW-ZDUSSCGKSA-N -1 1 340.206 3.553 20 0 EHADMM COc1cc(Br)ccc1OC(=O)c1ccc([O-])c(F)c1 ZINC000813810432 1136365967 /nfs/dbraw/zinc/36/59/67/1136365967.db2.gz PURGTETWCXRZJV-UHFFFAOYSA-N -1 1 341.132 3.522 20 0 EHADMM O=C(N=c1nc(Sc2ccccc2)[n-]s1)NOCCC1CC1 ZINC000814669792 1136492539 /nfs/dbraw/zinc/49/25/39/1136492539.db2.gz IPKJYAKWCJYGGO-UHFFFAOYSA-N -1 1 336.442 3.543 20 0 EHADMM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c(C)o1 ZINC000853036700 1136500831 /nfs/dbraw/zinc/50/08/31/1136500831.db2.gz NSABSEKDJDMTEV-CQSZACIVSA-N -1 1 327.302 3.831 20 0 EHADMM Cc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)cnn1C(C)(C)C ZINC000885674061 1136601172 /nfs/dbraw/zinc/60/11/72/1136601172.db2.gz FFFLVZHSRPXRLG-UHFFFAOYSA-N -1 1 325.771 3.697 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCSC[C@@H]1C1CC1 ZINC000888496965 1136767802 /nfs/dbraw/zinc/76/78/02/1136767802.db2.gz LNJVFYHKIOEHSG-QGZVFWFLSA-N -1 1 327.449 3.903 20 0 EHADMM CC(C)C[C@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000857439755 1136871100 /nfs/dbraw/zinc/87/11/00/1136871100.db2.gz DSOGCRJONWCOLW-LBPRGKRZSA-N -1 1 336.432 3.904 20 0 EHADMM CC(Cl)(Cl)C(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000776964742 1136907064 /nfs/dbraw/zinc/90/70/64/1136907064.db2.gz NYWRLFMHBFYYIZ-ZETCQYMHSA-N -1 1 329.010 3.737 20 0 EHADMM COc1ccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])cc1F ZINC001136275574 1136964633 /nfs/dbraw/zinc/96/46/33/1136964633.db2.gz MDRSHALHNYNCLZ-UHFFFAOYSA-N -1 1 327.311 3.651 20 0 EHADMM Cc1nnc(Sc2cc(Cl)nc(=O)[n-]2)n1[C@H]1CCC[C@@H](C)C1 ZINC000858459950 1136969896 /nfs/dbraw/zinc/96/98/96/1136969896.db2.gz OYHVHSJZUXKBPG-SCZZXKLOSA-N -1 1 339.852 3.638 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC001136329487 1136988268 /nfs/dbraw/zinc/98/82/68/1136988268.db2.gz DXZMMYHNSBKIMY-QGZVFWFLSA-N -1 1 327.355 3.630 20 0 EHADMM O=C(OCc1ncc(Cl)cc1Cl)c1cc(-c2ccco2)n[nH]1 ZINC000777059485 1136993204 /nfs/dbraw/zinc/99/32/04/1136993204.db2.gz PYVROBFNEZMSMJ-UHFFFAOYSA-N -1 1 338.150 3.729 20 0 EHADMM Cc1cnc([C@H](C)[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)s1 ZINC000820647205 1137001488 /nfs/dbraw/zinc/00/14/88/1137001488.db2.gz HLGKCSQEYRLSAH-QMMMGPOBSA-N -1 1 332.322 3.699 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)c1 ZINC000821123499 1137017726 /nfs/dbraw/zinc/01/77/26/1137017726.db2.gz AYNWHJIINIRQDC-UHFFFAOYSA-N -1 1 336.800 3.844 20 0 EHADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2cccc([O-])c2Br)CCO1 ZINC000821374816 1137023394 /nfs/dbraw/zinc/02/33/94/1137023394.db2.gz IVNORYXLTVGXGR-GWCFXTLKSA-N -1 1 342.233 3.544 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC001136776034 1137113192 /nfs/dbraw/zinc/11/31/92/1137113192.db2.gz SCZQRQMVWAEONL-KRWDZBQOSA-N -1 1 329.827 3.726 20 0 EHADMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000772887155 1137163238 /nfs/dbraw/zinc/16/32/38/1137163238.db2.gz ZMUBRWUJYZRDDR-DIFFPNOSSA-N -1 1 349.814 3.560 20 0 EHADMM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1cccc(F)c1[O-] ZINC000863009525 1137167133 /nfs/dbraw/zinc/16/71/33/1137167133.db2.gz GVWQGSZRJSTLIQ-UHFFFAOYSA-N -1 1 340.395 3.553 20 0 EHADMM COC(C)(C)c1nsc([N-]C(=O)c2c(C)occ2C(F)(F)F)n1 ZINC000825267555 1137171018 /nfs/dbraw/zinc/17/10/18/1137171018.db2.gz KKXZZAVKVQAVAT-UHFFFAOYSA-N -1 1 349.334 3.592 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000843994858 1137191692 /nfs/dbraw/zinc/19/16/92/1137191692.db2.gz VTEIAWZBQSBVOJ-MRXNPFEDSA-N -1 1 331.460 3.703 20 0 EHADMM O=C([O-])CCCC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000844252144 1137205107 /nfs/dbraw/zinc/20/51/07/1137205107.db2.gz MZTXVMHEPPTGJP-UHFFFAOYSA-N -1 1 329.400 3.804 20 0 EHADMM CCc1ccncc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000844836306 1137254503 /nfs/dbraw/zinc/25/45/03/1137254503.db2.gz LXAPJZDZOVHEHD-UHFFFAOYSA-N -1 1 346.452 3.766 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(Oc3ccc(F)cc3)CC2)c(F)c1 ZINC001144554576 1137308895 /nfs/dbraw/zinc/30/88/95/1137308895.db2.gz AVZZLXDBQFDKOS-UHFFFAOYSA-N -1 1 337.341 3.853 20 0 EHADMM Cc1ccc([C@]2(C)CN(Cc3c(F)cc([O-])cc3F)CCO2)cc1 ZINC001144560199 1137309972 /nfs/dbraw/zinc/30/99/72/1137309972.db2.gz VFQIGYMVXPLXIP-IBGZPJMESA-N -1 1 333.378 3.726 20 0 EHADMM O=C(c1ccccc1)C1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144646563 1137322157 /nfs/dbraw/zinc/32/21/57/1137322157.db2.gz BULDVJWNWUEYLC-UHFFFAOYSA-N -1 1 331.362 3.765 20 0 EHADMM CC(=O)C1(c2ccccc2)CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144657987 1137322426 /nfs/dbraw/zinc/32/24/26/1137322426.db2.gz QJAQZRPNMSJLBU-UHFFFAOYSA-N -1 1 345.389 3.793 20 0 EHADMM COc1ccccc1O[C@@H]1CCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144666524 1137324669 /nfs/dbraw/zinc/32/46/69/1137324669.db2.gz MDXFWLSWTIIHIX-CQSZACIVSA-N -1 1 349.377 3.722 20 0 EHADMM Cc1ccc([C@@]2(C)CN(Cc3sccc3C(=O)[O-])CCO2)cc1 ZINC001144677649 1137327778 /nfs/dbraw/zinc/32/77/78/1137327778.db2.gz YGCUWOIQGHXLNF-GOSISDBHSA-N -1 1 331.437 3.502 20 0 EHADMM CCOc1cc(C(=O)N2CCC[C@]3(CC3(F)F)C2)cc(Cl)c1[O-] ZINC000846573959 1137357154 /nfs/dbraw/zinc/35/71/54/1137357154.db2.gz UXTVKADBMNBFBC-HNNXBMFYSA-N -1 1 345.773 3.706 20 0 EHADMM COc1ccccc1[C@H](C)N(OC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001146562616 1137391942 /nfs/dbraw/zinc/39/19/42/1137391942.db2.gz DRVPEHLAEPUSNB-LBPRGKRZSA-N -1 1 349.814 3.748 20 0 EHADMM CCc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c([O-])c1 ZINC001146915283 1137397620 /nfs/dbraw/zinc/39/76/20/1137397620.db2.gz NUKRARCLBPUBHV-UHFFFAOYSA-N -1 1 343.383 3.865 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cnn(CCF)c1 ZINC001148251857 1137420619 /nfs/dbraw/zinc/42/06/19/1137420619.db2.gz DIMIRDMHZSFEQE-UHFFFAOYSA-N -1 1 333.750 3.617 20 0 EHADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(Br)cc1[O-] ZINC001148387601 1137423159 /nfs/dbraw/zinc/42/31/59/1137423159.db2.gz FEGZAANJJJIRPJ-KBPBESRZSA-N -1 1 338.245 3.853 20 0 EHADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790071 1137433751 /nfs/dbraw/zinc/43/37/51/1137433751.db2.gz GVECLPTWQJMWNW-UHFFFAOYSA-N -1 1 341.333 3.694 20 0 EHADMM Fc1ccc(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)c2ccccc12 ZINC001212652974 1137548856 /nfs/dbraw/zinc/54/88/56/1137548856.db2.gz RADOXDTUPJTGFN-UHFFFAOYSA-N -1 1 349.247 3.833 20 0 EHADMM Cc1ccc(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1C(=O)[O-] ZINC000872158374 1137574189 /nfs/dbraw/zinc/57/41/89/1137574189.db2.gz CBSSSVFLQJGXEY-JXFKEZNVSA-N -1 1 339.435 3.964 20 0 EHADMM COc1ccccc1[C@@H]1CSCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000872167802 1137574889 /nfs/dbraw/zinc/57/48/89/1137574889.db2.gz JXDVMSDZBQCXCX-HNNXBMFYSA-N -1 1 347.436 3.667 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccs2)c([O-])c1 ZINC000128943288 1137805769 /nfs/dbraw/zinc/80/57/69/1137805769.db2.gz KCATYMYWRBHDNS-UHFFFAOYSA-N -1 1 348.424 3.731 20 0 EHADMM CC(C)(C)OC(=O)c1ccc(F)c(Oc2cc(Cl)nc(=O)[n-]2)c1 ZINC000882566522 1137829397 /nfs/dbraw/zinc/82/93/97/1137829397.db2.gz WSUVRHXVAFVPRI-UHFFFAOYSA-N -1 1 340.738 3.722 20 0 EHADMM CC(C)Cc1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000131740488 1137860048 /nfs/dbraw/zinc/86/00/48/1137860048.db2.gz AYHFKDXRMHYHGY-UHFFFAOYSA-N -1 1 341.480 3.815 20 0 EHADMM O=C(NCC[C@@H]1CCCC1(F)F)NCc1ccc([O-])c(Cl)c1 ZINC000883810983 1137871573 /nfs/dbraw/zinc/87/15/73/1137871573.db2.gz BROWOTHYTAMJDF-NSHDSACASA-N -1 1 332.778 3.670 20 0 EHADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000332649657 1137950116 /nfs/dbraw/zinc/95/01/16/1137950116.db2.gz UDCUCDQIVGRIQH-UHFFFAOYSA-N -1 1 331.437 3.949 20 0 EHADMM O=C(N[C@@H]1CCCC12CCOCC2)c1cc2ccccc2cc1[O-] ZINC000333209641 1137958322 /nfs/dbraw/zinc/95/83/22/1137958322.db2.gz BGGDGPYTOIMLQB-GOSISDBHSA-N -1 1 325.408 3.625 20 0 EHADMM Cc1nc(CC(C)C)oc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678221 1138018288 /nfs/dbraw/zinc/01/82/88/1138018288.db2.gz KEMULNUYTBCLQD-UHFFFAOYSA-N -1 1 326.755 3.932 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)c1cc(C2CC2)[nH]c1C1CC1 ZINC000886269727 1138063201 /nfs/dbraw/zinc/06/32/01/1138063201.db2.gz DZEPMPXARIRZFN-UHFFFAOYSA-N -1 1 346.377 3.726 20 0 EHADMM CC(C)n1c(CNC(=O)Cc2ccc3ccccc3c2)n[n-]c1=S ZINC000066640141 1138077052 /nfs/dbraw/zinc/07/70/52/1138077052.db2.gz OHRHPXABAZTDFH-UHFFFAOYSA-N -1 1 340.452 3.534 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)nc1 ZINC000886444557 1138078730 /nfs/dbraw/zinc/07/87/30/1138078730.db2.gz BTMWEFXBBYJMTL-UHFFFAOYSA-N -1 1 326.368 3.524 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)c1cccc(C(C)C)c1 ZINC000080607007 1138163304 /nfs/dbraw/zinc/16/33/04/1138163304.db2.gz GSJYHNPGBOUWNE-UHFFFAOYSA-N -1 1 341.455 3.776 20 0 EHADMM CC(C)(CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCOCC1 ZINC000887388817 1138298441 /nfs/dbraw/zinc/29/84/41/1138298441.db2.gz WIMHPXQSSYBPFZ-UHFFFAOYSA-N -1 1 345.361 3.594 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](c4ccccc4C)C3)cnc2n1 ZINC000338104082 1138752172 /nfs/dbraw/zinc/75/21/72/1138752172.db2.gz LWQANUUYEACPNF-OAHLLOKOSA-N -1 1 347.418 3.582 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](c3ccccc3C)C1)c2=O ZINC000338104082 1138752175 /nfs/dbraw/zinc/75/21/75/1138752175.db2.gz LWQANUUYEACPNF-OAHLLOKOSA-N -1 1 347.418 3.582 20 0 EHADMM CCCCCC[C@H](CC)C(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889791288 1139268758 /nfs/dbraw/zinc/26/87/58/1139268758.db2.gz FRAHUVMWGHAREN-LSDHHAIUSA-N -1 1 349.475 3.851 20 0 EHADMM CCOc1cc(C(=O)NCC[C@H]2CCC(F)(F)C2)cc(Cl)c1[O-] ZINC000890005594 1139300407 /nfs/dbraw/zinc/30/04/07/1139300407.db2.gz ZZHPQHDCKNIWTI-SNVBAGLBSA-N -1 1 347.789 4.000 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2csc([C@H](C)OC)n2)n1 ZINC000177169886 1139600902 /nfs/dbraw/zinc/60/09/02/1139600902.db2.gz IZVDELUCSVFQKW-VIFPVBQESA-N -1 1 325.459 3.591 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2csc(-c3ccccn3)n2)[n-]1 ZINC000188131154 1140284483 /nfs/dbraw/zinc/28/44/83/1140284483.db2.gz FDLGDOWZFNCVDN-UHFFFAOYSA-N -1 1 342.449 3.870 20 0 EHADMM CCOc1cc(C(=O)N2CCc3ccsc3C2)cc(Cl)c1[O-] ZINC000273858508 1141434206 /nfs/dbraw/zinc/43/42/06/1141434206.db2.gz NJMBKRGIMYCLMX-UHFFFAOYSA-N -1 1 337.828 3.704 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C)c1O ZINC000055616275 214334232 /nfs/dbraw/zinc/33/42/32/214334232.db2.gz KEVOLIGMIXDEPO-UHFFFAOYSA-N -1 1 325.817 3.772 20 0 EHADMM COc1ccccc1[C@@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC000821882851 599068313 /nfs/dbraw/zinc/06/83/13/599068313.db2.gz MDQCYNWWWPNCQR-SNVBAGLBSA-N -1 1 330.388 3.868 20 0 EHADMM O=C([O-])c1cccc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000821551675 597664730 /nfs/dbraw/zinc/66/47/30/597664730.db2.gz SKZZKAKARUKQQW-SFHVURJKSA-N -1 1 339.439 3.864 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1nc2ccc(Cl)cc2n1C ZINC000820142196 598170841 /nfs/dbraw/zinc/17/08/41/598170841.db2.gz PKQSFOVEBTVBNT-LLVKDONJSA-N -1 1 343.814 3.776 20 0 EHADMM Fc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822786545 599494311 /nfs/dbraw/zinc/49/43/11/599494311.db2.gz MIGOBSXBTHPKKM-MRXNPFEDSA-N -1 1 346.369 3.653 20 0 EHADMM Fc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822786545 599494312 /nfs/dbraw/zinc/49/43/12/599494312.db2.gz MIGOBSXBTHPKKM-MRXNPFEDSA-N -1 1 346.369 3.653 20 0 EHADMM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683172965 599787899 /nfs/dbraw/zinc/78/78/99/599787899.db2.gz IUHNXKDPWIQNGE-KRWDZBQOSA-N -1 1 335.350 3.668 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1F)c1ccccc1C(F)(F)F ZINC000739505520 599792624 /nfs/dbraw/zinc/79/26/24/599792624.db2.gz QZKVBCSPBRJSQW-CQSZACIVSA-N -1 1 327.277 3.760 20 0 EHADMM O=C([O-])c1coc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000740269270 599803231 /nfs/dbraw/zinc/80/32/31/599803231.db2.gz MGURYQYPWQJLDN-UHFFFAOYSA-N -1 1 335.772 3.709 20 0 EHADMM COc1ccc(-c2nc(CN(C[C@@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000516304027 599950387 /nfs/dbraw/zinc/95/03/87/599950387.db2.gz PYKVHBBAVVRLGZ-GFCCVEGCSA-N -1 1 346.452 3.504 20 0 EHADMM C[C@@H](CN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC1)C(=O)[O-] ZINC000568072890 599951146 /nfs/dbraw/zinc/95/11/46/599951146.db2.gz PDHANFHRZYGTJD-NSHDSACASA-N -1 1 334.803 3.680 20 0 EHADMM Cc1cc(CN2CCS[C@@H](C)[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000738384689 600490454 /nfs/dbraw/zinc/49/04/54/600490454.db2.gz GRTLTGRGZCVLQB-XJKSGUPXSA-N -1 1 331.437 3.965 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000826051907 601202697 /nfs/dbraw/zinc/20/26/97/601202697.db2.gz DYZPCVVJQBXBBK-BLLLJJGKSA-N -1 1 342.420 3.955 20 0 EHADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1nc2ccccc2o1 ZINC000659794825 601431609 /nfs/dbraw/zinc/43/16/09/601431609.db2.gz YCHWEZZAKMLTSZ-GDBMZVCRSA-N -1 1 328.412 3.683 20 0 EHADMM O=C([O-])c1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1F ZINC000833314177 601640961 /nfs/dbraw/zinc/64/09/61/601640961.db2.gz IIOPHHZYAFNXEG-QGZVFWFLSA-N -1 1 331.412 3.814 20 0 EHADMM Cc1ccc(-c2n[nH]c(SCc3ccc(C(=O)[O-])c(F)c3)n2)cc1 ZINC000832907863 601671927 /nfs/dbraw/zinc/67/19/27/601671927.db2.gz OSCWWZBFBBJURC-UHFFFAOYSA-N -1 1 343.383 3.910 20 0 EHADMM O=C([O-])c1cc(CNCc2ccccc2OCc2ccccc2)c[nH]1 ZINC000833298155 601833102 /nfs/dbraw/zinc/83/31/02/601833102.db2.gz SSGLQWQNZYEXSF-UHFFFAOYSA-N -1 1 336.391 3.582 20 0 EHADMM O=C([O-])[C@H](N[C@H]1COc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000833167040 601974981 /nfs/dbraw/zinc/97/49/81/601974981.db2.gz LFBHLIMAVFTZML-DZGCQCFKSA-N -1 1 338.190 3.842 20 0 EHADMM Cc1ncc(CN(Cc2ccccc2)[C@@H]2CCCN(C(=O)[O-])C2)s1 ZINC000740232491 602480526 /nfs/dbraw/zinc/48/05/26/602480526.db2.gz HASAFOFWLMMJGF-MRXNPFEDSA-N -1 1 345.468 3.596 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000740045065 602652601 /nfs/dbraw/zinc/65/26/01/602652601.db2.gz HXENGVJNYFTQHV-UHFFFAOYSA-N -1 1 340.788 3.539 20 0 EHADMM CC(C)[C@H](NCc1ccc(NC(=O)[O-])nc1)c1nc2ccccc2[nH]1 ZINC000824143777 603534713 /nfs/dbraw/zinc/53/47/13/603534713.db2.gz QAESDIIUCUHXFJ-INIZCTEOSA-N -1 1 339.399 3.535 20 0 EHADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccc(NC(=O)[O-])nc1 ZINC000830143667 603539057 /nfs/dbraw/zinc/53/90/57/603539057.db2.gz LGPMIEUPJKWVGK-CQSZACIVSA-N -1 1 329.400 3.876 20 0 EHADMM O=C([O-])C[C@@H]1CCCN1Cn1c(-c2ccccc2)csc1=S ZINC000833211172 604979434 /nfs/dbraw/zinc/97/94/34/604979434.db2.gz UVCKLOHIRITLMB-ZDUSSCGKSA-N -1 1 334.466 3.843 20 0 EHADMM CCOc1ccc([C@@H](C)NCc2cc(C(=O)[O-])oc2C)cc1OCC ZINC000833663079 605059583 /nfs/dbraw/zinc/05/95/83/605059583.db2.gz HWFFVTSHALCVKD-GFCCVEGCSA-N -1 1 347.411 3.934 20 0 EHADMM CC(C)N(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccccc1F ZINC000833497770 605294660 /nfs/dbraw/zinc/29/46/60/605294660.db2.gz IFIZPBCHHZAHCM-UHFFFAOYSA-N -1 1 331.387 3.700 20 0 EHADMM O=C([O-])N[C@@H]1C[C@H](NCc2ccccc2OC(F)F)c2ccccc21 ZINC000834158213 605789418 /nfs/dbraw/zinc/78/94/18/605789418.db2.gz NEONANVAPHQVAE-LSDHHAIUSA-N -1 1 348.349 3.831 20 0 EHADMM Clc1cccc(Cl)c1CSc1cccc(-c2nnn[n-]2)n1 ZINC000826353404 607898429 /nfs/dbraw/zinc/89/84/29/607898429.db2.gz NPJQOTICRZGJNP-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM Clc1cccc(Cl)c1CSc1cccc(-c2nn[n-]n2)n1 ZINC000826353404 607898430 /nfs/dbraw/zinc/89/84/30/607898430.db2.gz NPJQOTICRZGJNP-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM C[C@H](Sc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824764260 608178915 /nfs/dbraw/zinc/17/89/15/608178915.db2.gz UVLFSHGIOVCJOT-LURJTMIESA-N -1 1 341.824 3.969 20 0 EHADMM C[C@H](Sc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824764260 608178917 /nfs/dbraw/zinc/17/89/17/608178917.db2.gz UVLFSHGIOVCJOT-LURJTMIESA-N -1 1 341.824 3.969 20 0 EHADMM Cc1ccccc1[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000826305787 608184463 /nfs/dbraw/zinc/18/44/63/608184463.db2.gz IJLCGAAUUOALHO-LBPRGKRZSA-N -1 1 346.847 3.848 20 0 EHADMM Cc1ccccc1[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000826305787 608184464 /nfs/dbraw/zinc/18/44/64/608184464.db2.gz IJLCGAAUUOALHO-LBPRGKRZSA-N -1 1 346.847 3.848 20 0 EHADMM C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)C1CCCC1 ZINC000824045307 608349155 /nfs/dbraw/zinc/34/91/55/608349155.db2.gz KZEXLOJJYQATDC-JTQLQIEISA-N -1 1 347.488 3.991 20 0 EHADMM C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)C1CCCC1 ZINC000824045307 608349157 /nfs/dbraw/zinc/34/91/57/608349157.db2.gz KZEXLOJJYQATDC-JTQLQIEISA-N -1 1 347.488 3.991 20 0 EHADMM Clc1nsc(Nc2csc3ccccc23)c1-c1nnn[n-]1 ZINC000826354685 609435669 /nfs/dbraw/zinc/43/56/69/609435669.db2.gz PXCSJEBRCCISMA-UHFFFAOYSA-N -1 1 334.817 3.935 20 0 EHADMM Clc1nsc(Nc2csc3ccccc23)c1-c1nn[n-]n1 ZINC000826354685 609435670 /nfs/dbraw/zinc/43/56/70/609435670.db2.gz PXCSJEBRCCISMA-UHFFFAOYSA-N -1 1 334.817 3.935 20 0 EHADMM O=C([O-])CC1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000322164221 970855272 /nfs/dbraw/zinc/85/52/72/970855272.db2.gz BPVWELCOYCBPSC-UHFFFAOYSA-N -1 1 334.803 3.682 20 0 EHADMM Cc1ccc(-c2cc(CN(C)Cc3ccc(C(=O)[O-])cc3)on2)cc1 ZINC000326601070 971308643 /nfs/dbraw/zinc/30/86/43/971308643.db2.gz AIWROGADZREUJN-UHFFFAOYSA-N -1 1 336.391 3.980 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000263122721 950278143 /nfs/dbraw/zinc/27/81/43/950278143.db2.gz CKJHCCKTVYLKAM-DGCLKSJQSA-N -1 1 334.416 3.634 20 0 EHADMM C[C@H](C(=O)[O-])N(Cc1cc(Cl)ccc1Br)C1CC1 ZINC000382988143 951232740 /nfs/dbraw/zinc/23/27/40/951232740.db2.gz WZGSMEKGFYDKLB-MRVPVSSYSA-N -1 1 332.625 3.540 20 0 EHADMM O=C([O-])[C@@H]1CCCCN1Cc1cc(Cl)cc(Br)c1 ZINC000568055392 953642542 /nfs/dbraw/zinc/64/25/42/953642542.db2.gz YSEIBPVFEKRDEP-LBPRGKRZSA-N -1 1 332.625 3.542 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000629488394 953822998 /nfs/dbraw/zinc/82/29/98/953822998.db2.gz LLVFBWSYRJXZFE-ZDUSSCGKSA-N -1 1 332.375 3.558 20 0 EHADMM O=C([O-])c1cc(NC(=O)c2ccc(O)c(Cl)c2)ccc1Cl ZINC000037641811 957317900 /nfs/dbraw/zinc/31/79/00/957317900.db2.gz POGNWHDULRSCRO-UHFFFAOYSA-N -1 1 326.135 3.650 20 0 EHADMM CCOc1ccc2nc(SCc3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC000390419115 972283103 /nfs/dbraw/zinc/28/31/03/972283103.db2.gz OCBCOCAODMOPLE-UHFFFAOYSA-N -1 1 328.393 3.952 20 0 EHADMM CSCC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226738331 959901410 /nfs/dbraw/zinc/90/14/10/959901410.db2.gz FFYJYSPMUGLZPA-SNVBAGLBSA-N -1 1 346.290 3.721 20 0 EHADMM O=C([O-])c1cccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000238064276 961091656 /nfs/dbraw/zinc/09/16/56/961091656.db2.gz YEMQAIFLSVYQNB-UHFFFAOYSA-N -1 1 335.363 3.781 20 0 EHADMM CCc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)s1 ZINC000133114756 1023465875 /nfs/dbraw/zinc/46/58/75/1023465875.db2.gz QKQSCLLNUNLCHW-UHFFFAOYSA-N -1 1 340.242 3.709 20 0 EHADMM Cc1cccc([C@H](NCc2ccc(OC(F)F)cc2F)C(=O)[O-])c1 ZINC001605332000 973214081 /nfs/dbraw/zinc/21/40/81/973214081.db2.gz ZKYLIRUEBVMQAN-HNNXBMFYSA-N -1 1 339.313 3.651 20 0 EHADMM O=C([O-])c1ccccc1CNCc1ccccc1OCc1cccnc1 ZINC001606522736 974023102 /nfs/dbraw/zinc/02/31/02/974023102.db2.gz JAOKEHGCUVMCGH-UHFFFAOYSA-N -1 1 348.402 3.649 20 0 EHADMM CCCC[C@@H](C(=O)[O-])N1CCc2c(Br)ccc(F)c2C1 ZINC000519831164 974336531 /nfs/dbraw/zinc/33/65/31/974336531.db2.gz XTTXHAONXATSCP-AWEZNQCLSA-N -1 1 344.224 3.590 20 0 EHADMM O=C([O-])c1cnc(CN2CCCCC[C@H]2/C=C/c2ccccc2)cn1 ZINC000530162450 974358135 /nfs/dbraw/zinc/35/81/35/974358135.db2.gz GVXARLDLJRLAPW-ZGKFYVQTSA-N -1 1 337.423 3.633 20 0 EHADMM O=C([O-])C[C@@H]1CCCN1Cc1cc(Cl)cc(Br)c1 ZINC000565103106 974569081 /nfs/dbraw/zinc/56/90/81/974569081.db2.gz JAODXNYLJASLKP-LBPRGKRZSA-N -1 1 332.625 3.542 20 0 EHADMM CCc1ccc([C@@H](C)C(=O)NCCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000067074611 1014208336 /nfs/dbraw/zinc/20/83/36/1014208336.db2.gz BUDQIHFAYCKCGQ-CYBMUJFWSA-N -1 1 346.500 3.546 20 0 EHADMM COCCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC(C)C ZINC000565897046 974591021 /nfs/dbraw/zinc/59/10/21/974591021.db2.gz CXFZYUSHFVBIIQ-UHFFFAOYSA-N -1 1 348.468 3.613 20 0 EHADMM Cc1ccc(Nc2nc(CN3CCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000572049747 974741056 /nfs/dbraw/zinc/74/10/56/974741056.db2.gz XGVKZUARLWMKSU-OAHLLOKOSA-N -1 1 331.441 3.634 20 0 EHADMM CN(Cc1occc1C(=O)[O-])Cc1ccc(OCC(F)(F)F)cc1 ZINC000573626274 974769168 /nfs/dbraw/zinc/76/91/68/974769168.db2.gz UKIKTTIJOXYKOD-UHFFFAOYSA-N -1 1 343.301 3.551 20 0 EHADMM Cc1cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc2cccnc12 ZINC000579332347 974872686 /nfs/dbraw/zinc/87/26/86/974872686.db2.gz BAHZIOFCQLBWCT-UHFFFAOYSA-N -1 1 347.418 3.804 20 0 EHADMM C[C@H]1CN(Cc2c(Cl)cc(Cl)cc2N(C)C)CC[C@H]1C(=O)[O-] ZINC000625970565 975067233 /nfs/dbraw/zinc/06/72/33/975067233.db2.gz URRJLQWZOTUBQB-CMPLNLGQSA-N -1 1 345.270 3.602 20 0 EHADMM CCOc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(C)c1 ZINC000656566150 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O=C([O-])c1csc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000872159103 980041392 /nfs/dbraw/zinc/04/13/92/980041392.db2.gz NDSVIIUVMRMDPN-ZDUSSCGKSA-N -1 1 347.411 3.680 20 0 EHADMM CC[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(OC)cc1 ZINC001595299808 980430572 /nfs/dbraw/zinc/43/05/72/980430572.db2.gz GRJZDDNNEWRYAR-OAHLLOKOSA-N -1 1 334.803 3.683 20 0 EHADMM CC[C@H](c1ccccc1)N(CC)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001595364457 980793647 /nfs/dbraw/zinc/79/36/47/980793647.db2.gz SBJXNRSCBLXJFR-GOSISDBHSA-N -1 1 340.423 3.797 20 0 EHADMM CCc1oc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1C(=O)[O-] ZINC000902351624 980845809 /nfs/dbraw/zinc/84/58/09/980845809.db2.gz UAUJWNHXLFMKRD-KSSFIOAISA-N -1 1 343.423 3.798 20 0 EHADMM C[C@@H](NCc1ccoc1C(=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000902383606 980864812 /nfs/dbraw/zinc/86/48/12/980864812.db2.gz YHRWATWZPQCFKE-LLVKDONJSA-N -1 1 333.359 3.757 20 0 EHADMM O=C([O-])[C@@H]1c2ccccc2OCCN1Cc1cccc(C(F)F)c1 ZINC000903931003 981051559 /nfs/dbraw/zinc/05/15/59/981051559.db2.gz 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1015044824 /nfs/dbraw/zinc/04/48/24/1015044824.db2.gz NSNCMOCSJVXMAT-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCc1ccc([C@H]2CCN(Cc3nc4cc(C(=O)[O-])ccc4[nH]3)C2)cc1 ZINC001597518552 988138474 /nfs/dbraw/zinc/13/84/74/988138474.db2.gz VZSZGSQIWZHSEQ-KRWDZBQOSA-N -1 1 349.434 3.813 20 0 EHADMM CCc1ccc2c(c1)CCN(Cc1cc(C(=O)[O-])c3n1CCCC3)C2 ZINC001597569798 988339088 /nfs/dbraw/zinc/33/90/88/988339088.db2.gz XWRHMPJWJIMVIV-UHFFFAOYSA-N -1 1 338.451 3.643 20 0 EHADMM CSc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC001599817882 988458518 /nfs/dbraw/zinc/45/85/18/988458518.db2.gz TZASSLIEPMZXPO-UHFFFAOYSA-N -1 1 337.784 3.718 20 0 EHADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1ncc(C2CCCCC2)s1 ZINC000274838451 1015464384 /nfs/dbraw/zinc/46/43/84/1015464384.db2.gz CKEXHVZVAVOXMM-CYBMUJFWSA-N -1 1 325.434 3.771 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)Nc1ncc(C2CCCCC2)s1 ZINC000274838451 1015464393 /nfs/dbraw/zinc/46/43/93/1015464393.db2.gz CKEXHVZVAVOXMM-CYBMUJFWSA-N -1 1 325.434 3.771 20 0 EHADMM CCc1oc(CNC[C@H](O)c2cc3ccccc3s2)cc1C(=O)[O-] ZINC001597801418 989394931 /nfs/dbraw/zinc/39/49/31/989394931.db2.gz DHJLHVCKLKTEDE-AWEZNQCLSA-N -1 1 345.420 3.578 20 0 EHADMM CC(C)(C)Oc1cccc(CNCc2ccccc2OCC(=O)[O-])c1 ZINC001590419888 989961894 /nfs/dbraw/zinc/96/18/94/989961894.db2.gz KKQVXCKBIGLYRZ-UHFFFAOYSA-N -1 1 343.423 3.617 20 0 EHADMM COc1cccc2c(CN[C@@H](C)c3ncc(C(=O)[O-])s3)cccc12 ZINC001599689171 991038403 /nfs/dbraw/zinc/03/84/03/991038403.db2.gz DOAGWFVHHNIYTA-NSHDSACASA-N -1 1 342.420 3.854 20 0 EHADMM CC(C)CN(Cc1ccccn1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001591343802 992326034 /nfs/dbraw/zinc/32/60/34/992326034.db2.gz FDKYXZGRRGMDCQ-MRXNPFEDSA-N -1 1 342.439 3.592 20 0 EHADMM CC(C)COc1ccccc1CN1CCc2cc(C(=O)[O-])ccc2C1 ZINC001591409707 992485139 /nfs/dbraw/zinc/48/51/39/992485139.db2.gz LBIZCGWKIXFLNE-UHFFFAOYSA-N -1 1 339.435 3.978 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cccc(F)c1OC(F)F ZINC001598514000 992598472 /nfs/dbraw/zinc/59/84/72/992598472.db2.gz 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346.471 3.562 20 0 EHADMM O=C(Cc1coc2cc3c(cc12)CCC3)Nc1c([O-])cccc1F ZINC000089541276 1019188016 /nfs/dbraw/zinc/18/80/16/1019188016.db2.gz YYXQUEKPZAAHJH-UHFFFAOYSA-N -1 1 325.339 3.947 20 0 EHADMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C)sc3C)cc2)n1 ZINC000340723251 1019611056 /nfs/dbraw/zinc/61/10/56/1019611056.db2.gz AYNVSSVGZJXUAA-UHFFFAOYSA-N -1 1 347.465 3.660 20 0 EHADMM O=S(=O)([N-]c1ccccc1Cl)c1cccnc1C(F)(F)F ZINC000340775054 1019978200 /nfs/dbraw/zinc/97/82/00/1019978200.db2.gz CVISAZPWFJKEMD-UHFFFAOYSA-N -1 1 336.722 3.555 20 0 EHADMM COc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(C)cc1C ZINC000280125418 1020117237 /nfs/dbraw/zinc/11/72/37/1020117237.db2.gz RDFBSXSFUQWYAU-UHFFFAOYSA-N -1 1 343.427 3.666 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000580874475 1020170174 /nfs/dbraw/zinc/17/01/74/1020170174.db2.gz FNRZMZDTYBXWDT-UHFFFAOYSA-N -1 1 331.437 3.901 20 0 EHADMM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccsc1 ZINC000341170835 1021042761 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[O-]c1ccc(-c2noc(C3CCC(OC(F)F)CC3)n2)cc1F ZINC000436877803 1021328480 /nfs/dbraw/zinc/32/84/80/1021328480.db2.gz HRCZGWFVYGQSSB-UHFFFAOYSA-N -1 1 328.290 3.847 20 0 EHADMM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])cc2F)cc1 ZINC000436881397 1021334611 /nfs/dbraw/zinc/33/46/11/1021334611.db2.gz SRNCIZZEUFGNTQ-GOSISDBHSA-N -1 1 329.371 3.907 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3cc(C)ccc3C)no2)c1 ZINC000436891701 1021346600 /nfs/dbraw/zinc/34/66/00/1021346600.db2.gz YKOFFULQHLOPJR-UHFFFAOYSA-N -1 1 337.379 3.608 20 0 EHADMM CN(C)c1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cn1 ZINC000436918812 1021377299 /nfs/dbraw/zinc/37/72/99/1021377299.db2.gz KJEHHNJYZMVTSD-UHFFFAOYSA-N -1 1 332.363 3.723 20 0 EHADMM CC(C)CCOc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436924512 1021383368 /nfs/dbraw/zinc/38/33/68/1021383368.db2.gz GCHZCJOYRBNDRZ-UHFFFAOYSA-N -1 1 327.380 3.639 20 0 EHADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897613813 1032975737 /nfs/dbraw/zinc/97/57/37/1032975737.db2.gz 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3.932 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCc2sccc21)c1ccc(F)c(F)c1F ZINC000341635317 1022727000 /nfs/dbraw/zinc/72/70/00/1022727000.db2.gz RFPYFRCACKDSAO-SNVBAGLBSA-N -1 1 347.383 3.521 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c1 ZINC000438811983 1023022531 /nfs/dbraw/zinc/02/25/31/1023022531.db2.gz RAWIPYVBYSCCDM-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OCC3CC3)cc2)o1 ZINC000426800018 1023055371 /nfs/dbraw/zinc/05/53/71/1023055371.db2.gz NCHGJORYSUZEJF-QGZVFWFLSA-N -1 1 329.396 3.682 20 0 EHADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(Cl)cc2F)no1 ZINC000430975812 1023059498 /nfs/dbraw/zinc/05/94/98/1023059498.db2.gz OJEFYWFFDBVCKN-UHFFFAOYSA-N -1 1 346.811 3.707 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c(Cl)c1 ZINC000509590750 1023096574 /nfs/dbraw/zinc/09/65/74/1023096574.db2.gz NGTSDCWOVCFBTI-UHFFFAOYSA-N -1 1 337.828 3.774 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(F)cc1Cl ZINC000509595982 1023097723 /nfs/dbraw/zinc/09/77/23/1023097723.db2.gz LXYVXZCFVZSPDH-UHFFFAOYSA-N -1 1 341.791 3.605 20 0 EHADMM O=C(Nc1cc(Cc2ccccc2)ccc1O)C(=O)c1ccc([O-])cc1 ZINC000438909711 1023127722 /nfs/dbraw/zinc/12/77/22/1023127722.db2.gz JVYLKYIGNMFQQU-UHFFFAOYSA-N -1 1 347.370 3.510 20 0 EHADMM Cc1ccccc1[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000438921029 1023142266 /nfs/dbraw/zinc/14/22/66/1023142266.db2.gz SWGGRPCLWXYPPP-SFHVURJKSA-N -1 1 325.408 3.787 20 0 EHADMM Cc1ccsc1-c1nsc([N-]C(=O)c2noc3c2CCCC3)n1 ZINC000131407572 1023206413 /nfs/dbraw/zinc/20/64/13/1023206413.db2.gz AUTBSXLCOLZQOV-UHFFFAOYSA-N -1 1 346.437 3.694 20 0 EHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2N(C)C)c1C ZINC000518332318 1023229234 /nfs/dbraw/zinc/22/92/34/1023229234.db2.gz QSFFDFWOGIBNLZ-UHFFFAOYSA-N -1 1 332.469 3.787 20 0 EHADMM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1ncccc1[O-] ZINC000427141816 1023236785 /nfs/dbraw/zinc/23/67/85/1023236785.db2.gz APGRUPOFIRTXSA-VIFPVBQESA-N -1 1 337.206 3.854 20 0 EHADMM CCC[C@H](C)[C@H]1CCCN1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000133126418 1023291996 /nfs/dbraw/zinc/29/19/96/1023291996.db2.gz HZBBVZVFTNQSPX-SUMWQHHRSA-N -1 1 340.471 3.854 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(C)c1C ZINC000548477900 1023443808 /nfs/dbraw/zinc/44/38/08/1023443808.db2.gz IQHMGWMQAXXGPI-UHFFFAOYSA-N -1 1 330.409 3.594 20 0 EHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000471965281 1023462701 /nfs/dbraw/zinc/46/27/01/1023462701.db2.gz QSWHGPNVKPVKEG-GFCCVEGCSA-N -1 1 349.477 3.841 20 0 EHADMM O=C(NC1CCC(C(F)F)CC1)c1ccc(Br)c([O-])c1 ZINC000458180879 1023618206 /nfs/dbraw/zinc/61/82/06/1023618206.db2.gz NGHRMYQVGDVXEF-UHFFFAOYSA-N -1 1 348.187 3.708 20 0 EHADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)sc1C ZINC000342092839 1023890871 /nfs/dbraw/zinc/89/08/71/1023890871.db2.gz JQYDICLFKACZPY-SNVBAGLBSA-N -1 1 336.438 3.546 20 0 EHADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1csc(=NC2CC2)[nH]1 ZINC000434344525 1023969326 /nfs/dbraw/zinc/96/93/26/1023969326.db2.gz MNYQXEPBJISYJW-INIZCTEOSA-N -1 1 343.496 3.623 20 0 EHADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000434344525 1023969348 /nfs/dbraw/zinc/96/93/48/1023969348.db2.gz MNYQXEPBJISYJW-INIZCTEOSA-N -1 1 343.496 3.623 20 0 EHADMM O=C([O-])CCCC(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000657203457 1024085376 /nfs/dbraw/zinc/08/53/76/1024085376.db2.gz ZSHJSCZZPWOAKN-UHFFFAOYSA-N -1 1 326.274 3.533 20 0 EHADMM CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000191482617 1024109358 /nfs/dbraw/zinc/10/93/58/1024109358.db2.gz FOYVWGDZHBAXAQ-FQEVSTJZSA-N -1 1 327.424 3.559 20 0 EHADMM Cc1cc(S(=O)(=O)Nc2cccc3ccsc32)ccc1C(=O)[O-] ZINC000395314962 1024228166 /nfs/dbraw/zinc/22/81/66/1024228166.db2.gz QLRPCWAUADSMDA-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM CC(=O)c1oc2cccnc2c1[N-]c1cnc(Br)s1 ZINC001216264697 1024268030 /nfs/dbraw/zinc/26/80/30/1024268030.db2.gz HCAQCDCACHSOSV-UHFFFAOYSA-N -1 1 338.186 3.993 20 0 EHADMM CCc1cc(OC)ccc1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417697380 1024369638 /nfs/dbraw/zinc/36/96/38/1024369638.db2.gz DQVQGEMAJFCFFD-UHFFFAOYSA-N -1 1 340.423 3.518 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000327121808 1024377250 /nfs/dbraw/zinc/37/72/50/1024377250.db2.gz FAMUJRQJLNCIBJ-UHOSZYNNSA-N -1 1 339.435 3.701 20 0 EHADMM CCc1nc(SCc2nccn2Cc2ccccc2)[n-]c(=O)c1C ZINC000657264934 1024439676 /nfs/dbraw/zinc/43/96/76/1024439676.db2.gz MRDGVGNOPADQIS-UHFFFAOYSA-N -1 1 340.452 3.590 20 0 EHADMM CCn1nc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c2ccccc21 ZINC000277303415 1024526602 /nfs/dbraw/zinc/52/66/02/1024526602.db2.gz MYYOXRKHJGOHRR-KUHUBIRLSA-N -1 1 337.423 3.608 20 0 EHADMM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001211872619 1024586119 /nfs/dbraw/zinc/58/61/19/1024586119.db2.gz OSRTVEZQROMOMH-IUCAKERBSA-N -1 1 340.247 3.703 20 0 EHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H](c1ccncc1)C1CCCC1 ZINC000897931101 1033229933 /nfs/dbraw/zinc/22/99/33/1033229933.db2.gz MNTFRTSKFNOOIQ-OAHLLOKOSA-N -1 1 332.350 3.978 20 0 EHADMM O=S(=O)(CCc1ccccc1)[N-]c1ccc2c(Cl)cccc2n1 ZINC000508072103 1024888611 /nfs/dbraw/zinc/88/86/11/1024888611.db2.gz DLBCMNCSXOIHHD-UHFFFAOYSA-N -1 1 346.839 3.873 20 0 EHADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(Br)c([O-])c1 ZINC000505692207 1024907036 /nfs/dbraw/zinc/90/70/36/1024907036.db2.gz QOYSLPKHFMKMAA-SECBINFHSA-N -1 1 348.187 3.710 20 0 EHADMM O=S(=O)([N-]C1CCCCC1)c1c(Cl)cc(F)cc1Cl ZINC000435420274 1024909269 /nfs/dbraw/zinc/90/92/69/1024909269.db2.gz CHXHHRHWJADAKN-UHFFFAOYSA-N -1 1 326.220 3.744 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1 ZINC000474414976 1024919357 /nfs/dbraw/zinc/91/93/57/1024919357.db2.gz PFPGWLZPINPJKM-UHFFFAOYSA-N -1 1 333.457 3.776 20 0 EHADMM [O-]c1cccc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1Cl ZINC000508171588 1024935199 /nfs/dbraw/zinc/93/51/99/1024935199.db2.gz HWCHTAHKNZJQPE-MRXNPFEDSA-N -1 1 339.769 3.897 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@H](C(=O)NC(C)(C)CC)C(C)C)n1 ZINC000514985026 1024944835 /nfs/dbraw/zinc/94/48/35/1024944835.db2.gz LKICBTGVWWQDKK-AWEZNQCLSA-N -1 1 339.505 3.556 20 0 EHADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1cccc([O-])c1Cl ZINC000508355057 1025052067 /nfs/dbraw/zinc/05/20/67/1025052067.db2.gz OHAVSMZZDOLXFC-INIZCTEOSA-N -1 1 347.842 3.652 20 0 EHADMM CC(=O)N1CCc2cc(NC(=O)c3ccc(C(C)C)cc3[O-])ccc21 ZINC000048679178 1025053970 /nfs/dbraw/zinc/05/39/70/1025053970.db2.gz AVOCFSOEYMJHEI-UHFFFAOYSA-N -1 1 338.407 3.677 20 0 EHADMM Cc1nc(=O)[n-]c(O[C@@H](C)c2c(Cl)cncc2Cl)c1Cl ZINC001227111528 1025186144 /nfs/dbraw/zinc/18/61/44/1025186144.db2.gz MZFHBBJJYOLCQM-LURJTMIESA-N -1 1 334.590 3.986 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000435929055 1025225393 /nfs/dbraw/zinc/22/53/93/1025225393.db2.gz HYIHYUPHYXUSDA-BZPMIXESSA-N -1 1 333.476 3.590 20 0 EHADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(C)c(Cl)c(C)c1 ZINC000442256205 1025240263 /nfs/dbraw/zinc/24/02/63/1025240263.db2.gz WZWDGLQPLYJQKX-UHFFFAOYSA-N -1 1 339.844 3.904 20 0 EHADMM CC[C@@H](CC(=O)Nc1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000505743234 1025300944 /nfs/dbraw/zinc/30/09/44/1025300944.db2.gz DLMIJDCNYVWHEN-ZDUSSCGKSA-N -1 1 327.380 3.701 20 0 EHADMM O=C(NCC[C@H]1CCC(F)(F)C1)NCc1ccc([O-])c(Cl)c1 ZINC000896314348 1025345228 /nfs/dbraw/zinc/34/52/28/1025345228.db2.gz ILXWIKDMGNXBRE-SNVBAGLBSA-N -1 1 332.778 3.670 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3CCCc4cccnc43)nc2)[n-]c(=O)c1C ZINC000896413271 1025417536 /nfs/dbraw/zinc/41/75/36/1025417536.db2.gz OEUHPPDOAJTHAF-MRXNPFEDSA-N -1 1 347.422 3.746 20 0 EHADMM COc1ccc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000442868914 1025541899 /nfs/dbraw/zinc/54/18/99/1025541899.db2.gz OQMQIBOCUPLTJP-SNVBAGLBSA-N -1 1 335.787 3.554 20 0 EHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000436479118 1025756456 /nfs/dbraw/zinc/75/64/56/1025756456.db2.gz UBQRCXADLRGEJA-UHFFFAOYSA-N -1 1 343.433 3.649 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)c1 ZINC000436516887 1025815152 /nfs/dbraw/zinc/81/51/52/1025815152.db2.gz XOBYZLUDWGDTKM-NSHDSACASA-N -1 1 347.798 3.650 20 0 EHADMM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000436533297 1025841191 /nfs/dbraw/zinc/84/11/91/1025841191.db2.gz YDVWXEYZNDNLAM-LJQANCHMSA-N -1 1 349.386 3.532 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000436535909 1025843276 /nfs/dbraw/zinc/84/32/76/1025843276.db2.gz LNYOAAAIMHVQFC-CYBMUJFWSA-N -1 1 333.790 3.890 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC(=Cc2cccc(F)c2)CC1 ZINC000436553492 1025857699 /nfs/dbraw/zinc/85/76/99/1025857699.db2.gz HBHYNGJUSUULBK-UHFFFAOYSA-N -1 1 329.346 3.990 20 0 EHADMM CCCN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCc2ccccc2C1 ZINC000436540192 1025871289 /nfs/dbraw/zinc/87/12/89/1025871289.db2.gz OHSJJJLRLXLQRZ-QGZVFWFLSA-N -1 1 327.399 3.941 20 0 EHADMM COC[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(C)o1 ZINC000436577413 1025882596 /nfs/dbraw/zinc/88/25/96/1025882596.db2.gz UHDJUUFKUVGYLM-INIZCTEOSA-N -1 1 325.364 3.564 20 0 EHADMM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000436566033 1025895636 /nfs/dbraw/zinc/89/56/36/1025895636.db2.gz SYSHUZAOJWWKSZ-UHFFFAOYSA-N -1 1 348.337 3.518 20 0 EHADMM COCCN(C(=O)c1ccc2ccccc2c1[O-])[C@H]1CC[C@@H](C)C1 ZINC000436597879 1025917150 /nfs/dbraw/zinc/91/71/50/1025917150.db2.gz XGRPPFLARBQALG-ZBFHGGJFSA-N -1 1 327.424 3.823 20 0 EHADMM COc1cc(OC)c(NC(=O)c2ccc3ccccc3c2[O-])cc1F ZINC000436584474 1025923801 /nfs/dbraw/zinc/92/38/01/1025923801.db2.gz NARNNZLUVXFPLU-UHFFFAOYSA-N -1 1 341.338 3.954 20 0 EHADMM O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000436589372 1025929554 /nfs/dbraw/zinc/92/95/54/1025929554.db2.gz KIIFGQASXNDVKO-CXAGYDPISA-N -1 1 331.799 3.553 20 0 EHADMM CC1(C2CC2)CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436612365 1025946193 /nfs/dbraw/zinc/94/61/93/1025946193.db2.gz XNJFXCZWBCRBEV-UHFFFAOYSA-N -1 1 338.245 3.807 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000443398789 1025996837 /nfs/dbraw/zinc/99/68/37/1025996837.db2.gz KTHGXLLAPWBDOK-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM Cc1ccc2c(C=C([O-])Nc3nc(-c4ccccc4)ns3)coc2c1 ZINC000614688947 1026009577 /nfs/dbraw/zinc/00/95/77/1026009577.db2.gz LESSKOYIJYDMKH-UHFFFAOYSA-N -1 1 349.415 3.863 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cc2cc(F)ccc2o1 ZINC000451490786 1026033243 /nfs/dbraw/zinc/03/32/43/1026033243.db2.gz AYOQWZNTHUGACF-SNVBAGLBSA-N -1 1 347.358 3.676 20 0 EHADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H](C)CO1 ZINC000436717881 1026088711 /nfs/dbraw/zinc/08/87/11/1026088711.db2.gz HXJOYMWNTTVJAG-SCLBCKFNSA-N -1 1 345.826 3.956 20 0 EHADMM C[C@@H](CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000436735639 1026102876 /nfs/dbraw/zinc/10/28/76/1026102876.db2.gz HCXLRHOTKGKCIP-KBPBESRZSA-N -1 1 347.842 3.672 20 0 EHADMM Cc1ccc(Cl)c2sc(NC(=O)C(=O)c3ccc([O-])cc3)nc21 ZINC000436729943 1026120400 /nfs/dbraw/zinc/12/04/00/1026120400.db2.gz UQJGBPSBYKCSAR-UHFFFAOYSA-N -1 1 346.795 3.785 20 0 EHADMM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)cc2)C1)c1sccc1Cl ZINC000451583575 1026132736 /nfs/dbraw/zinc/13/27/36/1026132736.db2.gz ZEVDFUJMNMKHCV-UMSPYCQHSA-N -1 1 345.848 3.765 20 0 EHADMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000436751656 1026140193 /nfs/dbraw/zinc/14/01/93/1026140193.db2.gz UJKIZTXPRKFWMD-DYVFJYSZSA-N -1 1 331.799 3.553 20 0 EHADMM CN(Cc1cccc(F)c1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870168 1026246465 /nfs/dbraw/zinc/24/64/65/1026246465.db2.gz QFKVRZHVXROVPJ-UHFFFAOYSA-N -1 1 327.277 3.822 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c2cccnc12 ZINC000614731837 1026255966 /nfs/dbraw/zinc/25/59/66/1026255966.db2.gz KQYWIGKRMFHZTO-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871585 1026261606 /nfs/dbraw/zinc/26/16/06/1026261606.db2.gz MZYJPAGAVISVKV-ABAIWWIYSA-N -1 1 345.361 3.736 20 0 EHADMM C[C@H]1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)c2ccccc21 ZINC000158334451 1026321804 /nfs/dbraw/zinc/32/18/04/1026321804.db2.gz DTAUPFHIIFDALJ-ZDUSSCGKSA-N -1 1 337.452 3.974 20 0 EHADMM C[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000531008248 1026480321 /nfs/dbraw/zinc/48/03/21/1026480321.db2.gz GEUYHAKAHNDYIV-LBPRGKRZSA-N -1 1 333.384 3.654 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)cc1C ZINC000563386760 1026546473 /nfs/dbraw/zinc/54/64/73/1026546473.db2.gz SWJQXGJJPITLJI-UHFFFAOYSA-N -1 1 334.441 3.515 20 0 EHADMM C[C@@]12CN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452608843 1026882987 /nfs/dbraw/zinc/88/29/87/1026882987.db2.gz XFRDFFKHYBCIPQ-VYTXNUKWSA-N -1 1 337.341 3.695 20 0 EHADMM CCOc1cc(-c2noc(CO[C@H](C)CC)n2)cc(Cl)c1[O-] ZINC000277783410 1026925125 /nfs/dbraw/zinc/92/51/25/1026925125.db2.gz ABQFFGQHDIUMOT-SECBINFHSA-N -1 1 326.780 3.809 20 0 EHADMM Cc1ccc(SCC[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000531485981 1026980240 /nfs/dbraw/zinc/98/02/40/1026980240.db2.gz HXKYJYJLJVUZMS-UHFFFAOYSA-N -1 1 347.461 3.812 20 0 EHADMM Cc1cc(S(C)(=O)=O)cc(NCc2cccc([O-])c2Cl)c1C ZINC000419760946 1027163938 /nfs/dbraw/zinc/16/39/38/1027163938.db2.gz OUSQSVGTFIUOLG-UHFFFAOYSA-N -1 1 339.844 3.678 20 0 EHADMM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000501354465 1027222857 /nfs/dbraw/zinc/22/28/57/1027222857.db2.gz SOOWXXZIAILZPE-UHFFFAOYSA-N -1 1 341.338 3.970 20 0 EHADMM O=C(CCc1ccc(Br)cc1)Nc1ccc(F)cc1[O-] ZINC000531756363 1027283405 /nfs/dbraw/zinc/28/34/05/1027283405.db2.gz UIMXITMMNNPONN-UHFFFAOYSA-N -1 1 338.176 3.865 20 0 EHADMM Cc1cccc([C@H]2CCN(Cc3nc(=O)c4sccc4[n-]3)C2)c1 ZINC000273158579 1027287672 /nfs/dbraw/zinc/28/76/72/1027287672.db2.gz ZIUOJYMHWMIFPT-AWEZNQCLSA-N -1 1 325.437 3.695 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000430041145 1027444191 /nfs/dbraw/zinc/44/41/91/1027444191.db2.gz LMUHSAINKRZDTB-GZMMTYOYSA-N -1 1 340.659 3.724 20 0 EHADMM CC(C)CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000303195885 1027492122 /nfs/dbraw/zinc/49/21/22/1027492122.db2.gz KQFHPBAAWNKNIS-UHFFFAOYSA-N -1 1 347.436 3.690 20 0 EHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273565428 1027497036 /nfs/dbraw/zinc/49/70/36/1027497036.db2.gz JJRKOQVLRGZVGL-MAUKXSAKSA-N -1 1 347.361 3.663 20 0 EHADMM CC(C)(C)OCc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)no1 ZINC000420490366 1027557680 /nfs/dbraw/zinc/55/76/80/1027557680.db2.gz ABZKLKAYXYGFSJ-UHFFFAOYSA-N -1 1 333.319 3.551 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cccc4cccnc43)[nH][n-]2)c1 ZINC000444808699 1028280579 /nfs/dbraw/zinc/28/05/79/1028280579.db2.gz UYWROTVIMAFCOT-UHFFFAOYSA-N -1 1 346.365 3.747 20 0 EHADMM COc1ccc(-c2nc(CN3CCC[C@@H](CC(=O)[O-])C3)cs2)cc1 ZINC000532711089 1028395337 /nfs/dbraw/zinc/39/53/37/1028395337.db2.gz WIWONLNKTKBPRX-ZDUSSCGKSA-N -1 1 346.452 3.505 20 0 EHADMM Cc1csc2nc(-c3ccc(OC4CCOCC4)cc3)[n-]c(=O)c12 ZINC000504506470 1028695858 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[O-]c1ccc(-c2noc(-c3ccc4nsnc4c3)n2)c(Cl)c1 ZINC000445448316 1028780611 /nfs/dbraw/zinc/78/06/11/1028780611.db2.gz RQZWQIGHPRJPLR-UHFFFAOYSA-N -1 1 330.756 3.767 20 0 EHADMM COc1cc(C)ccc1OCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448932 1028783459 /nfs/dbraw/zinc/78/34/59/1028783459.db2.gz XEMDWEXVEURFMB-UHFFFAOYSA-N -1 1 346.770 3.992 20 0 EHADMM O=S(=O)([N-]c1ccccc1C(F)F)c1ccc2c(c1)CCCO2 ZINC000424088557 1028792106 /nfs/dbraw/zinc/79/21/06/1028792106.db2.gz UHGXXLUVZCABJA-UHFFFAOYSA-N -1 1 339.363 3.750 20 0 EHADMM O=C(CCc1nc(-c2ccc([O-])cc2Cl)no1)c1cccs1 ZINC000445444106 1028803525 /nfs/dbraw/zinc/80/35/25/1028803525.db2.gz IPKJWSPXHVLOAP-UHFFFAOYSA-N -1 1 334.784 3.973 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc(OC4CCCC4)nc3)n2)c(F)c1 ZINC000445458558 1028826524 /nfs/dbraw/zinc/82/65/24/1028826524.db2.gz SZTAZOVPOBUZIF-UHFFFAOYSA-N -1 1 341.342 3.965 20 0 EHADMM COc1ccc([C@H](C)Cc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457339 1028826913 /nfs/dbraw/zinc/82/69/13/1028826913.db2.gz YFOWJBWKIRHSOY-LLVKDONJSA-N -1 1 328.343 3.936 20 0 EHADMM [O-]c1ccc(-c2noc(CCCOc3cccc(F)c3)n2)c(F)c1 ZINC000445459423 1028829741 /nfs/dbraw/zinc/82/97/41/1028829741.db2.gz AUDCCWOFYKIDBQ-UHFFFAOYSA-N -1 1 332.306 3.732 20 0 EHADMM COc1ccc(O[C@@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445483505 1028845195 /nfs/dbraw/zinc/84/51/95/1028845195.db2.gz WNBWJXPVMSOZCC-JTQLQIEISA-N -1 1 330.315 3.730 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)cc1F ZINC000445476361 1028856587 /nfs/dbraw/zinc/85/65/87/1028856587.db2.gz BOFNLQIVRNLOAT-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(C(C)C)cc2)c1 ZINC000123429022 1028909179 /nfs/dbraw/zinc/90/91/79/1028909179.db2.gz HGMNWZPYQVWAMB-UHFFFAOYSA-N -1 1 326.396 3.751 20 0 EHADMM CC(C)(C)c1ccccc1NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424251173 1028910952 /nfs/dbraw/zinc/91/09/52/1028910952.db2.gz CDUNNPXKBAELEA-OAHLLOKOSA-N -1 1 346.471 3.642 20 0 EHADMM COc1ccc(-c2nc(Cc3cn(C)c4cc(C)ccc34)no2)c([O-])c1 ZINC000445631013 1029012048 /nfs/dbraw/zinc/01/20/48/1029012048.db2.gz DIBMUXMYADIXCP-UHFFFAOYSA-N -1 1 349.390 3.842 20 0 EHADMM Cc1nc(-c2ccccc2)sc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000124351601 1029200750 /nfs/dbraw/zinc/20/07/50/1029200750.db2.gz QJELBPVTKGHRHW-CYBMUJFWSA-N -1 1 333.413 3.698 20 0 EHADMM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccnc2cc(F)ccc21 ZINC000357317878 1029238939 /nfs/dbraw/zinc/23/89/39/1029238939.db2.gz RQHGBISCCVSAHB-UHFFFAOYSA-N -1 1 340.383 3.721 20 0 EHADMM Cn1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000078452800 1029318724 /nfs/dbraw/zinc/31/87/24/1029318724.db2.gz DIJDSXOKBGDRQH-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2C)cc1N ZINC001211983295 1029387075 /nfs/dbraw/zinc/38/70/75/1029387075.db2.gz HHWYNVFHXHSPQS-UHFFFAOYSA-N -1 1 345.251 3.993 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1 ZINC000272443132 1029462631 /nfs/dbraw/zinc/46/26/31/1029462631.db2.gz UGCNMWDGSVPLGM-VIFPVBQESA-N -1 1 343.399 3.970 20 0 EHADMM CCc1nc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cs1 ZINC000078796271 1029471599 /nfs/dbraw/zinc/47/15/99/1029471599.db2.gz WOSHEKGURMPQLO-UHFFFAOYSA-N -1 1 330.453 3.506 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](COc2ccccc2)C1 ZINC000272471287 1029472953 /nfs/dbraw/zinc/47/29/53/1029472953.db2.gz DMEQITFYVPOFIB-CYBMUJFWSA-N -1 1 331.799 3.587 20 0 EHADMM Cc1cccc2c1CN(c1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)CC2 ZINC000428661828 1029867214 /nfs/dbraw/zinc/86/72/14/1029867214.db2.gz WCSWUOPGUFFBSN-UHFFFAOYSA-N -1 1 346.434 3.732 20 0 EHADMM CCc1[nH]nc([N-]S(=O)(=O)Cc2ccccc2)c1-c1cccs1 ZINC000446974164 1029876059 /nfs/dbraw/zinc/87/60/59/1029876059.db2.gz XFHCAEWPRXJWRS-UHFFFAOYSA-N -1 1 347.465 3.643 20 0 EHADMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000525528237 1029883188 /nfs/dbraw/zinc/88/31/88/1029883188.db2.gz GQPPKVRBWZPTIF-UHFFFAOYSA-N -1 1 341.379 3.943 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC(F)(C2CC2)CC1 ZINC000724831416 1029949239 /nfs/dbraw/zinc/94/92/39/1029949239.db2.gz HSFLRPWGQZCVIE-UHFFFAOYSA-N -1 1 342.208 3.509 20 0 EHADMM COCC1(c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)CCCC1 ZINC000453299722 1030048809 /nfs/dbraw/zinc/04/88/09/1030048809.db2.gz UXDLDMNBQGGYFS-UHFFFAOYSA-N -1 1 338.791 3.562 20 0 EHADMM CC[C@H](CN(CC)C(=O)c1csc(=NC2CC2)[n-]1)c1ccccc1 ZINC000482258461 1030283336 /nfs/dbraw/zinc/28/33/36/1030283336.db2.gz CJDGQMXVFSSLBB-CQSZACIVSA-N -1 1 343.496 3.795 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1csc(Cc2ccccc2)n1 ZINC000532267537 1030515071 /nfs/dbraw/zinc/51/50/71/1030515071.db2.gz XBVJKWONPBAGII-UHFFFAOYSA-N -1 1 328.368 3.831 20 0 EHADMM COC(=O)c1c[n-]c(S[C@H](C)c2cccc(Br)c2)n1 ZINC000193543717 1030582439 /nfs/dbraw/zinc/58/24/39/1030582439.db2.gz JKIRDGSIGZDYBL-MRVPVSSYSA-N -1 1 341.230 3.812 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccn(C2CCCCC2)n1 ZINC000527497047 1030949506 /nfs/dbraw/zinc/94/95/06/1030949506.db2.gz JVNHPULVMXTFBE-UHFFFAOYSA-N -1 1 341.440 3.514 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc(OCC(F)(F)F)c1 ZINC000173380094 1031085508 /nfs/dbraw/zinc/08/55/08/1031085508.db2.gz VNGABBBFIHIXDI-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM CCO[C@H](CC(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1)C1=CCCC1 ZINC000343503849 1031152045 /nfs/dbraw/zinc/15/20/45/1031152045.db2.gz CMNLHLBOEGBJGX-OAHLLOKOSA-N -1 1 345.468 3.713 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(OCC2CCCC2)CC1 ZINC000175611561 1031353660 /nfs/dbraw/zinc/35/36/60/1031353660.db2.gz ASLAXIZABPFLPS-UHFFFAOYSA-N -1 1 337.847 3.857 20 0 EHADMM O=C([O-])C[C@H](NCc1ccc(C(F)F)nc1)c1cccc(Cl)c1 ZINC000903998304 1031582820 /nfs/dbraw/zinc/58/28/20/1031582820.db2.gz LLIYFZWSLFHCIU-AWEZNQCLSA-N -1 1 340.757 3.978 20 0 EHADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cn(C3CC3)cn2)cc1 ZINC000904001825 1031588284 /nfs/dbraw/zinc/58/82/84/1031588284.db2.gz HLJCXEOEDYQRBR-SFHVURJKSA-N -1 1 327.428 3.647 20 0 EHADMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000904032741 1031641454 /nfs/dbraw/zinc/64/14/54/1031641454.db2.gz XTQPIPUCIXMAPM-GOEBONIOSA-N -1 1 349.814 3.712 20 0 EHADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cc(C)cnc1Cl ZINC000904027008 1031671921 /nfs/dbraw/zinc/67/19/21/1031671921.db2.gz RQXQHSZSVJDJFO-INIZCTEOSA-N -1 1 332.831 3.911 20 0 EHADMM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000484822189 1031995086 /nfs/dbraw/zinc/99/50/86/1031995086.db2.gz QFFQTROEYBUQRH-AWEZNQCLSA-N -1 1 348.240 3.906 20 0 EHADMM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc2ccccc2c1[O-] ZINC000607846844 1033355238 /nfs/dbraw/zinc/35/52/38/1033355238.db2.gz IKSQOPCUKMLDFG-GOSISDBHSA-N -1 1 349.386 3.808 20 0 EHADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000607881264 1033368991 /nfs/dbraw/zinc/36/89/91/1033368991.db2.gz WFDOOIOQWUADSD-UHFFFAOYSA-N -1 1 346.452 3.594 20 0 EHADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cccc2[nH]c(C(F)F)nc21 ZINC001142545676 1033395124 /nfs/dbraw/zinc/39/51/24/1033395124.db2.gz GVRHQWHQJCMFIU-UHFFFAOYSA-N -1 1 339.248 3.737 20 0 EHADMM O=C(OCc1cc(-c2ccccc2)no1)c1c([O-])cc(F)cc1F ZINC000063543331 1033442174 /nfs/dbraw/zinc/44/21/74/1033442174.db2.gz WXHRUDJJLFZSTH-UHFFFAOYSA-N -1 1 331.274 3.682 20 0 EHADMM CC(C)c1ccc(C(=O)COC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000063543452 1033442628 /nfs/dbraw/zinc/44/26/28/1033442628.db2.gz LQRJSTAJIIHBHR-UHFFFAOYSA-N -1 1 334.318 3.834 20 0 EHADMM Cc1c(NCc2ncc(Br)cc2[O-])cccc1N(C)C ZINC000892403271 1033523429 /nfs/dbraw/zinc/52/34/29/1033523429.db2.gz KTQBCJMHLVUZLV-UHFFFAOYSA-N -1 1 336.233 3.536 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2c(s1)CCCCCC2 ZINC000045946937 1033696983 /nfs/dbraw/zinc/69/69/83/1033696983.db2.gz JAKFPTRWJWDNDE-UHFFFAOYSA-N -1 1 344.362 3.796 20 0 EHADMM CSCc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000476425305 1033823739 /nfs/dbraw/zinc/82/37/39/1033823739.db2.gz JCJBOCPFFYDHMZ-UHFFFAOYSA-N -1 1 325.430 3.798 20 0 EHADMM CC[C@H](C)Oc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000055642380 1033991697 /nfs/dbraw/zinc/99/16/97/1033991697.db2.gz JCTOFPZQYFMALZ-LBPRGKRZSA-N -1 1 342.395 3.780 20 0 EHADMM CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539059 1034139027 /nfs/dbraw/zinc/13/90/27/1034139027.db2.gz OOKUUUVEPIVAMG-MRXNPFEDSA-N -1 1 346.814 3.538 20 0 EHADMM CCOc1cc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000456287443 1034278609 /nfs/dbraw/zinc/27/86/09/1034278609.db2.gz SZYCLZNRFWSSDB-CZUORRHYSA-N -1 1 335.831 3.705 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000456343758 1034336759 /nfs/dbraw/zinc/33/67/59/1034336759.db2.gz PYIYWWYEGWGWDB-HIFRSBDPSA-N -1 1 333.476 3.541 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc1Cl ZINC000227942563 1034365216 /nfs/dbraw/zinc/36/52/16/1034365216.db2.gz MZXQBXUUPVJRMV-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM COc1cc(C(=O)Nc2scnc2C(C)C)cc(Cl)c1[O-] ZINC000456457899 1034448002 /nfs/dbraw/zinc/44/80/02/1034448002.db2.gz PRCIQZLYFDOJEZ-UHFFFAOYSA-N -1 1 326.805 3.886 20 0 EHADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597315940 1034683852 /nfs/dbraw/zinc/68/38/52/1034683852.db2.gz OUGLUYGYOOKPSD-KGLIPLIRSA-N -1 1 330.453 3.687 20 0 EHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccccc1COC ZINC000605494830 1034767963 /nfs/dbraw/zinc/76/79/63/1034767963.db2.gz SMKSRNXJUJWFJF-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM Cc1nc(C(C)C)oc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000450789742 1034788944 /nfs/dbraw/zinc/78/89/44/1034788944.db2.gz JJIZQSBARFJFLX-UHFFFAOYSA-N -1 1 349.456 3.776 20 0 EHADMM S=c1[n-]nc(-c2cccs2)n1Cc1nc(-c2ccccc2)no1 ZINC000172040925 1034795957 /nfs/dbraw/zinc/79/59/57/1034795957.db2.gz CVSIUHSRRBTAKO-UHFFFAOYSA-N -1 1 341.421 3.767 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2occc2s1 ZINC000605882213 1034834177 /nfs/dbraw/zinc/83/41/77/1034834177.db2.gz ZJDWYSLWVNEIPA-UHFFFAOYSA-N -1 1 325.349 3.842 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c(Cl)cc1F ZINC000472428293 1034898808 /nfs/dbraw/zinc/89/88/08/1034898808.db2.gz FACOFUZDYQCAAU-UHFFFAOYSA-N -1 1 345.827 3.510 20 0 EHADMM CCc1cccnc1[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000450989062 1035002226 /nfs/dbraw/zinc/00/22/26/1035002226.db2.gz PZCFCMUFQYNTEE-UHFFFAOYSA-N -1 1 326.368 3.524 20 0 EHADMM CC(C)c1cnc(COC(=O)c2cccc3nc(C(F)F)[nH]c32)o1 ZINC000924080175 1035438754 /nfs/dbraw/zinc/43/87/54/1035438754.db2.gz KROWCUFFZOFOFI-UHFFFAOYSA-N -1 1 335.310 3.969 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000669231652 1035618382 /nfs/dbraw/zinc/61/83/82/1035618382.db2.gz QQNCTFHGCOTOHA-MRXNPFEDSA-N -1 1 340.423 3.504 20 0 EHADMM COc1cc(C(=O)N2CC[C@H](CC(C)(C)C)C2)cc(Cl)c1[O-] ZINC000457010648 1035639754 /nfs/dbraw/zinc/63/97/54/1035639754.db2.gz HPGKRSXNDPTNAD-LLVKDONJSA-N -1 1 325.836 3.953 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000511501343 1035714071 /nfs/dbraw/zinc/71/40/71/1035714071.db2.gz VFEZFKNWINFZHP-ZJUUUORDSA-N -1 1 343.374 3.867 20 0 EHADMM CCC[C@H](C)N(C)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000032064880 1036010259 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O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1ncccc1F ZINC001126665317 1036522117 /nfs/dbraw/zinc/52/21/17/1036522117.db2.gz OJWGLOCBQJPNBK-UHFFFAOYSA-N -1 1 348.790 3.569 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)n[nH]c1-c1ccccc1 ZINC000535513364 1036575160 /nfs/dbraw/zinc/57/51/60/1036575160.db2.gz IEYBYCXGOZLCQV-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM CC(C)Oc1ccccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000666298039 1036772902 /nfs/dbraw/zinc/77/29/02/1036772902.db2.gz LJLHUMIRYRVEDX-MAUKXSAKSA-N -1 1 331.437 3.772 20 0 EHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC000493162770 1036813746 /nfs/dbraw/zinc/81/37/46/1036813746.db2.gz XGEMHLHFKZOYPR-UHFFFAOYSA-N -1 1 332.469 3.678 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000006316114 1037222332 /nfs/dbraw/zinc/22/23/32/1037222332.db2.gz COWXDVBJBUHAIA-UHFFFAOYSA-N -1 1 344.219 3.997 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)cc1 ZINC000539854592 1037295993 /nfs/dbraw/zinc/29/59/93/1037295993.db2.gz 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/nfs/dbraw/zinc/74/96/92/1037749692.db2.gz ZYCNCJFFNIJPNY-ZDUSSCGKSA-N -1 1 333.413 3.698 20 0 EHADMM COc1csc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182915218 1037923232 /nfs/dbraw/zinc/92/32/32/1037923232.db2.gz TWZCKJFMBPZLIB-UHFFFAOYSA-N -1 1 342.214 3.786 20 0 EHADMM CCOc1cc(C(=O)Nc2cc(F)cc(F)c2)cc(Cl)c1[O-] ZINC000184162256 1038012898 /nfs/dbraw/zinc/01/28/98/1038012898.db2.gz WSZKTDDJDGGKOL-UHFFFAOYSA-N -1 1 327.714 3.975 20 0 EHADMM CN1C(=O)CCc2cc(NC(=O)c3ccc4ccccc4c3[O-])ccc21 ZINC000104918457 1038163365 /nfs/dbraw/zinc/16/33/65/1038163365.db2.gz MACMKWJYBJSQDZ-UHFFFAOYSA-N -1 1 346.386 3.707 20 0 EHADMM CCn1c(C)cc(C([O-])=C[S@](=O)Cc2cc(C)cc(C)c2)c1C ZINC000124956766 1038259504 /nfs/dbraw/zinc/25/95/04/1038259504.db2.gz CYXIOSLEFSUNPG-QHCPKHFHSA-N -1 1 331.481 3.873 20 0 EHADMM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CC1(Cl)Cl ZINC000181608557 1038453866 /nfs/dbraw/zinc/45/38/66/1038453866.db2.gz GXTPIKGSKXPLJA-IMTBSYHQSA-N -1 1 348.098 3.878 20 0 EHADMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccsc3)c2O1 ZINC000552034791 1038752787 /nfs/dbraw/zinc/75/27/87/1038752787.db2.gz DKOOHHSSFXLUFK-UHFFFAOYSA-N -1 1 343.857 3.916 20 0 EHADMM COc1ccc([C@H](NCc2ccccc2OC(C)C)C(=O)[O-])cc1F ZINC000905397140 1038880434 /nfs/dbraw/zinc/88/04/34/1038880434.db2.gz SEJLMNCZXCQDMM-SFHVURJKSA-N -1 1 347.386 3.537 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000905726229 1039064451 /nfs/dbraw/zinc/06/44/51/1039064451.db2.gz MROBWUMNKOUWIB-GFCCVEGCSA-N -1 1 344.386 3.559 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC000911073667 1039224854 /nfs/dbraw/zinc/22/48/54/1039224854.db2.gz SRBNBBZHJWYDOP-GOSISDBHSA-N -1 1 340.423 3.715 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)CCCOc3ccccc3)[nH][n-]2)s1 ZINC000500846083 1039582610 /nfs/dbraw/zinc/58/26/10/1039582610.db2.gz NSCHZBQHCCPMSI-UHFFFAOYSA-N -1 1 341.436 3.666 20 0 EHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3ccc4ccccc4n3)c2)c1 ZINC000614081143 1039637832 /nfs/dbraw/zinc/63/78/32/1039637832.db2.gz QFKRQODMIUHRAD-UHFFFAOYSA-N -1 1 329.359 3.666 20 0 EHADMM COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)cc(Cl)c1[O-] ZINC000553093735 1039757167 /nfs/dbraw/zinc/75/71/67/1039757167.db2.gz NHLIWGGVYQPOPK-INIZCTEOSA-N -1 1 346.814 3.673 20 0 EHADMM Cc1ccc(-c2cccc(/C=C/c3cc(=O)n4[n-]cnc4n3)c2)cc1 ZINC000486169585 1039949801 /nfs/dbraw/zinc/94/98/01/1039949801.db2.gz AEUSNFMFELLBKG-JXMROGBWSA-N -1 1 328.375 3.563 20 0 EHADMM CCO[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1Cl)C1CC1 ZINC000629281593 1039981896 /nfs/dbraw/zinc/98/18/96/1039981896.db2.gz CVQQGNIEUDLQBF-CYBMUJFWSA-N -1 1 338.256 3.550 20 0 EHADMM Cc1cc(C)cc(C[C@H](NCc2cnc(C(C)C)s2)C(=O)[O-])c1 ZINC000417566455 1040017387 /nfs/dbraw/zinc/01/73/87/1040017387.db2.gz IHIJOKDVGNCWGV-INIZCTEOSA-N -1 1 332.469 3.669 20 0 EHADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000479240542 1040058319 /nfs/dbraw/zinc/05/83/19/1040058319.db2.gz HBALTZRVCAHKQR-UHFFFAOYSA-N -1 1 346.358 3.828 20 0 EHADMM CC(C)Cc1ncc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000417647369 1040112516 /nfs/dbraw/zinc/11/25/16/1040112516.db2.gz LFEWVXWKYITDRI-UHFFFAOYSA-N -1 1 340.395 3.608 20 0 EHADMM Cc1ccc(C[C@H](NCc2cnc(C(C)C)s2)C(=O)[O-])cc1C ZINC000417655194 1040138655 /nfs/dbraw/zinc/13/86/55/1040138655.db2.gz SRHPVFPFAAJMAT-INIZCTEOSA-N -1 1 332.469 3.669 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)ccc1F ZINC000489700253 1040143382 /nfs/dbraw/zinc/14/33/82/1040143382.db2.gz IGYWUYOIBCRCOF-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479504653 1040311365 /nfs/dbraw/zinc/31/13/65/1040311365.db2.gz STROGNHHTARZOA-UHFFFAOYSA-N -1 1 348.449 3.886 20 0 EHADMM CC1(C)CCCc2sc([N-]C(=O)c3nnc(-c4ccco4)o3)nc21 ZINC000908290578 1040389973 /nfs/dbraw/zinc/38/99/73/1040389973.db2.gz FVXZTKZRVJVSOK-UHFFFAOYSA-N -1 1 344.396 3.652 20 0 EHADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1cccc([O-])c1Br ZINC000908708106 1040601566 /nfs/dbraw/zinc/60/15/66/1040601566.db2.gz 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/nfs/dbraw/zinc/61/10/17/1040611017.db2.gz CRCVJVIDHVDOHX-SNVBAGLBSA-N -1 1 340.217 3.585 20 0 EHADMM CCc1cc(C(=O)N=c2[nH]n([C@@H](C)c3ccccc3)cc2C)ccc1[O-] ZINC000487320189 1040911869 /nfs/dbraw/zinc/91/18/69/1040911869.db2.gz HWDRMHOAKSQQJP-HNNXBMFYSA-N -1 1 349.434 3.743 20 0 EHADMM CC(C)(C)c1nnc(COC(=O)c2cc(Cl)cc(Cl)c2[O-])o1 ZINC000909862214 1041049621 /nfs/dbraw/zinc/04/96/21/1041049621.db2.gz ARWKYUDNZMEERF-UHFFFAOYSA-N -1 1 345.182 3.737 20 0 EHADMM Cn1cc(C(=O)Nc2cc([O-])c(F)cc2F)c(C2CCCCC2)n1 ZINC000909977463 1041089077 /nfs/dbraw/zinc/08/90/77/1041089077.db2.gz OQOJONVHSLOFMD-UHFFFAOYSA-N -1 1 335.354 3.704 20 0 EHADMM CC(C)(C)OC(=O)[C@H](C(=O)Nc1cc([O-])c(F)cc1F)C(C)(C)C ZINC000909988276 1041122026 /nfs/dbraw/zinc/12/20/26/1041122026.db2.gz CYOYVSNEKXCHNP-ZDUSSCGKSA-N -1 1 343.370 3.613 20 0 EHADMM CC(C)(C)OC(=O)CCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909988719 1041124050 /nfs/dbraw/zinc/12/40/50/1041124050.db2.gz XTTVXCNIPSYJBA-UHFFFAOYSA-N -1 1 329.343 3.511 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000614319055 1041161805 /nfs/dbraw/zinc/16/18/05/1041161805.db2.gz RQVFDNBBXQZZMJ-NUEKZKHPSA-N -1 1 337.847 3.591 20 0 EHADMM CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2cccc(F)c2[O-])CC=CCC1 ZINC000600445913 1041216133 /nfs/dbraw/zinc/21/61/33/1041216133.db2.gz NOWRQUDEUXKEEC-SFHVURJKSA-N -1 1 335.375 3.538 20 0 EHADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000052025437 1041434852 /nfs/dbraw/zinc/43/48/52/1041434852.db2.gz FRPMKAWWIRBZJS-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cncc([O-])c1 ZINC000109939208 1041506219 /nfs/dbraw/zinc/50/62/19/1041506219.db2.gz QDFVVFRYFLQJLP-UHFFFAOYSA-N -1 1 345.811 3.740 20 0 EHADMM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cncc([O-])c1 ZINC000109938070 1041506653 /nfs/dbraw/zinc/50/66/53/1041506653.db2.gz KMCNQWZORRZGRF-UHFFFAOYSA-N -1 1 345.811 3.740 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C)c1O ZINC000047383630 1041621270 /nfs/dbraw/zinc/62/12/70/1041621270.db2.gz LCTYJUXSHMHDHE-UHFFFAOYSA-N -1 1 327.405 3.963 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-c2ccccc2)cc1 ZINC000026254475 1041663747 /nfs/dbraw/zinc/66/37/47/1041663747.db2.gz ITMQLRYHPAEBQN-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C2Cc3ccccc3C2)c1 ZINC000432182879 1041698514 /nfs/dbraw/zinc/69/85/14/1041698514.db2.gz RZDHQFMTJDUKIA-UHFFFAOYSA-N -1 1 346.224 3.817 20 0 EHADMM Cc1ccc(N(CC(C)C)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000909368841 1042222547 /nfs/dbraw/zinc/22/25/47/1042222547.db2.gz ZSVOSJYRQLLMIX-UHFFFAOYSA-N -1 1 325.412 3.671 20 0 EHADMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1c([O-])cccc1F ZINC000184543933 1042575226 /nfs/dbraw/zinc/57/52/26/1042575226.db2.gz RSJDFTVZNJFGEW-UHFFFAOYSA-N -1 1 338.338 3.649 20 0 EHADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])c(C)n1-c1nccs1 ZINC000188341136 1042926819 /nfs/dbraw/zinc/92/68/19/1042926819.db2.gz RSCZLGZCAJDSIT-UHFFFAOYSA-N -1 1 348.815 3.557 20 0 EHADMM COc1cc(C(=O)Nc2cccc3ncccc32)cc(Cl)c1[O-] ZINC000344838028 1044503781 /nfs/dbraw/zinc/50/37/81/1044503781.db2.gz MQXUDNAHGLLBTQ-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1c(Cl)cccc1C(F)(F)F ZINC000344901729 1044676169 /nfs/dbraw/zinc/67/61/69/1044676169.db2.gz IJWNFZDHHAZACY-JGVFFNPUSA-N -1 1 345.745 3.528 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1c(Cl)cccc1Br ZINC001195484837 1135431876 /nfs/dbraw/zinc/43/18/76/1135431876.db2.gz UOGXLSNDPUXRKW-UHFFFAOYSA-N -1 1 337.626 3.545 20 0 EHADMM O=C(C[C@@H]1CCCOC1)Nc1c([O-])cc(Br)cc1Cl ZINC000843886243 1137186475 /nfs/dbraw/zinc/18/64/75/1137186475.db2.gz NUMKXQHWMZJCMW-QMMMGPOBSA-N -1 1 348.624 3.563 20 0 EHADMM O=C(NCCc1csc(-c2ccccc2)n1)c1ccc([O-])cc1F ZINC000154978054 1125771392 /nfs/dbraw/zinc/77/13/92/1125771392.db2.gz MRGBDYXCNZVFBA-UHFFFAOYSA-N -1 1 342.395 3.627 20 0 EHADMM Cc1ccc(CNC(=O)c2ccc([O-])cc2F)c(OCC2CC2)c1 ZINC000154979838 1125772643 /nfs/dbraw/zinc/77/26/43/1125772643.db2.gz VJDRJLMFXBKGEH-UHFFFAOYSA-N -1 1 329.371 3.559 20 0 EHADMM COc1cc(Oc2ccccc2)ccc1NC(=O)c1cncc([O-])c1 ZINC000179024143 1127042865 /nfs/dbraw/zinc/04/28/65/1127042865.db2.gz YQDOCBWLYKJAKX-UHFFFAOYSA-N -1 1 336.347 3.840 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)c1 ZINC000181204460 1127270222 /nfs/dbraw/zinc/27/02/22/1127270222.db2.gz IPHWBKJZLYEBLP-UHFFFAOYSA-N -1 1 337.828 3.906 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000182732325 1127345585 /nfs/dbraw/zinc/34/55/85/1127345585.db2.gz LNCUMRYVWXSVIC-UHFFFAOYSA-N -1 1 344.358 3.919 20 0 EHADMM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000195084188 1127472866 /nfs/dbraw/zinc/47/28/66/1127472866.db2.gz ABEHNDFVAFCLOE-JTQLQIEISA-N -1 1 347.415 3.626 20 0 EHADMM CC(C)c1ocnc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000764542272 1127504684 /nfs/dbraw/zinc/50/46/84/1127504684.db2.gz WJSBZHUQBITLOT-WAYWQWQTSA-N -1 1 330.369 3.665 20 0 EHADMM CCC(C)(C)c1ccc(OS(=O)(=O)c2c[n-]cn2)c(Cl)c1 ZINC000765227924 1127586687 /nfs/dbraw/zinc/58/66/87/1127586687.db2.gz LKANXANQEPHEJJ-UHFFFAOYSA-N -1 1 328.821 3.518 20 0 EHADMM COc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)c([O-])c1 ZINC000029790751 1127808253 /nfs/dbraw/zinc/80/82/53/1127808253.db2.gz IDRBBNWSYITWSS-UHFFFAOYSA-N -1 1 340.404 3.700 20 0 EHADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1 ZINC000032591575 1127853896 /nfs/dbraw/zinc/85/38/96/1127853896.db2.gz WMXGFOFENGEOOU-UHFFFAOYSA-N -1 1 343.452 3.952 20 0 EHADMM O=C(NCCC1CCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000046872538 1127993191 /nfs/dbraw/zinc/99/31/91/1127993191.db2.gz LOPZRFYFGIEDIT-UHFFFAOYSA-N -1 1 344.455 3.577 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H](C)C(C)C)cc1 ZINC000031716583 1128228619 /nfs/dbraw/zinc/22/86/19/1128228619.db2.gz UIFIAWBDSBQJIS-CQSZACIVSA-N -1 1 346.500 3.809 20 0 EHADMM CC[C@H](C)Oc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000067147886 1128236005 /nfs/dbraw/zinc/23/60/05/1128236005.db2.gz FCGPAMRZHUIKIY-LBPRGKRZSA-N -1 1 342.395 3.780 20 0 EHADMM O=C(COc1ccc(F)cc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC000111665985 1128345758 /nfs/dbraw/zinc/34/57/58/1128345758.db2.gz JDNKEWHCHGBNMI-UHFFFAOYSA-N -1 1 330.142 3.856 20 0 EHADMM CC(C)c1noc([C@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000109713599 1128747720 /nfs/dbraw/zinc/74/77/20/1128747720.db2.gz XXIKDNZWPUSPPH-LURJTMIESA-N -1 1 334.323 3.561 20 0 EHADMM Cc1ccc(-c2ocnc2C(=O)[N-]c2nnc(C(C)C)s2)cc1 ZINC000172705106 1128829823 /nfs/dbraw/zinc/82/98/23/1128829823.db2.gz GTAGDNYXOKNCMD-UHFFFAOYSA-N -1 1 328.397 3.877 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1 ZINC000007050453 1128845459 /nfs/dbraw/zinc/84/54/59/1128845459.db2.gz JLLALJHVYVCVSC-LBPRGKRZSA-N -1 1 329.425 3.877 20 0 EHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1 ZINC000007050450 1128846037 /nfs/dbraw/zinc/84/60/37/1128846037.db2.gz YMMNQUMBTUKXOZ-UHFFFAOYSA-N -1 1 329.425 3.661 20 0 EHADMM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1ccc(Br)c([O-])c1 ZINC001648846696 1120053763 /nfs/dbraw/zinc/05/37/63/1120053763.db2.gz GQNRANJNTQYFMD-STQMWFEESA-N -1 1 338.245 3.711 20 0 EHADMM O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1cc2ccccc2o1 ZINC000084937016 1120097766 /nfs/dbraw/zinc/09/77/66/1120097766.db2.gz VWDCYJDNEGAXPF-OAHLLOKOSA-N -1 1 331.368 3.538 20 0 EHADMM O=S(=O)([N-][C@H]1CCc2c1cccc2F)c1cc2ccccc2o1 ZINC000084937017 1120097876 /nfs/dbraw/zinc/09/78/76/1120097876.db2.gz VWDCYJDNEGAXPF-HNNXBMFYSA-N -1 1 331.368 3.538 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000187050229 1120484613 /nfs/dbraw/zinc/48/46/13/1120484613.db2.gz HEJWJHKQOSJUJC-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000187050850 1120484827 /nfs/dbraw/zinc/48/48/27/1120484827.db2.gz UPYRFXCQZPKTCA-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1F)c1cncc(F)c1 ZINC000623623122 1120522814 /nfs/dbraw/zinc/52/28/14/1120522814.db2.gz HHOAGISWZFSUMH-UHFFFAOYSA-N -1 1 346.358 3.828 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189223726 1120561323 /nfs/dbraw/zinc/56/13/23/1120561323.db2.gz SDNMIVVRUWGTNU-UHFFFAOYSA-N -1 1 345.342 3.601 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000191887943 1120701886 /nfs/dbraw/zinc/70/18/86/1120701886.db2.gz OZQWKKRKXHEMDQ-UHFFFAOYSA-N -1 1 333.453 3.800 20 0 EHADMM COc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1OC1CCCC1 ZINC000914574190 1120905185 /nfs/dbraw/zinc/90/51/85/1120905185.db2.gz HUFIUTYGFCDHKP-UHFFFAOYSA-N -1 1 343.379 3.680 20 0 EHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Br)cc1 ZINC000229607068 1120970107 /nfs/dbraw/zinc/97/01/07/1120970107.db2.gz HQGRGRFOOOLCDG-SECBINFHSA-N -1 1 338.176 3.785 20 0 EHADMM COc1cc2nc(-c3ccc4ccccc4c3)[n-]c(=O)c2cc1OC ZINC000005853571 1121240966 /nfs/dbraw/zinc/24/09/66/1121240966.db2.gz ZPTFTBKDCIAKOQ-UHFFFAOYSA-N -1 1 332.359 3.761 20 0 EHADMM CCOc1cc(C(=O)NCc2c(C)cccc2C)cc(Cl)c1[O-] ZINC000762621750 1121385601 /nfs/dbraw/zinc/38/56/01/1121385601.db2.gz LHSGFGIYBIMZEM-UHFFFAOYSA-N -1 1 333.815 3.991 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2cc(F)cc3nccnc32)s1 ZINC000193645383 1121534773 /nfs/dbraw/zinc/53/47/73/1121534773.db2.gz ABLQHEXPTYKHTR-UHFFFAOYSA-N -1 1 345.403 3.605 20 0 EHADMM C[C@H]1[C@@H](C)N(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C[C@H]1C ZINC000495896680 1121562244 /nfs/dbraw/zinc/56/22/44/1121562244.db2.gz QRZLNPQZWKNUQB-JHJVBQTASA-N -1 1 348.443 3.856 20 0 EHADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000064474881 1122313356 /nfs/dbraw/zinc/31/33/56/1122313356.db2.gz OUDGPQMBTCYVPI-UHFFFAOYSA-N -1 1 346.452 3.959 20 0 EHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(F)c(Cl)nc1Cl ZINC000154149978 1122334736 /nfs/dbraw/zinc/33/47/36/1122334736.db2.gz XFHHHRTXZXOQHT-UHFFFAOYSA-N -1 1 330.146 3.954 20 0 EHADMM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000126023729 1122380705 /nfs/dbraw/zinc/38/07/05/1122380705.db2.gz KGADCAAGAQHFHN-UHFFFAOYSA-N -1 1 348.786 3.655 20 0 EHADMM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1(C)C ZINC000670418269 1122706183 /nfs/dbraw/zinc/70/61/83/1122706183.db2.gz KTPMTDOLYQTCLT-CZUORRHYSA-N -1 1 345.361 3.687 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2ccc(Cl)c(F)c2Cl)no1 ZINC001212480839 1129086355 /nfs/dbraw/zinc/08/63/55/1129086355.db2.gz LTCDRMOSWHBGLS-UHFFFAOYSA-N -1 1 326.114 3.950 20 0 EHADMM C[C@@H]1CN(Cc2ccc(Cl)cc2Br)CC[C@H]1C(=O)[O-] ZINC000311381176 1129099053 /nfs/dbraw/zinc/09/90/53/1129099053.db2.gz NBCUUCRFDKTIBJ-BXKDBHETSA-N -1 1 346.652 3.645 20 0 EHADMM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c([O-])cccc1Cl ZINC000920445792 1123369479 /nfs/dbraw/zinc/36/94/79/1123369479.db2.gz YZZQBSOZTDMENF-HNNXBMFYSA-N -1 1 331.799 3.862 20 0 EHADMM CN(CC1CCC1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077614580 1123569981 /nfs/dbraw/zinc/56/99/81/1123569981.db2.gz JGCCAKAJWZVRGS-UHFFFAOYSA-N -1 1 334.416 3.611 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000135391359 1123607743 /nfs/dbraw/zinc/60/77/43/1123607743.db2.gz OPMOWPXRZNEHHT-UHFFFAOYSA-N -1 1 329.421 3.569 20 0 EHADMM Cc1nc(-c2ccc(N[C@H]3C[C@]3(C)c3ccccc3)nc2)[n-]c(=O)c1C ZINC000078374273 1129137380 /nfs/dbraw/zinc/13/73/80/1129137380.db2.gz DGKWKYUXZGMANZ-LAUBAEHRSA-N -1 1 346.434 3.591 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1cccc(Cl)c1 ZINC000615252564 1123767508 /nfs/dbraw/zinc/76/75/08/1123767508.db2.gz ZGSSUZCEFGANRD-ZDUSSCGKSA-N -1 1 349.761 3.922 20 0 EHADMM CCc1cnc(CN(C)C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000081079460 1123774406 /nfs/dbraw/zinc/77/44/06/1123774406.db2.gz YMQCEEIBVQJPGD-UHFFFAOYSA-N -1 1 326.421 3.837 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000615958032 1123918915 /nfs/dbraw/zinc/91/89/15/1123918915.db2.gz DMAJXIFQKDKBSE-UHFFFAOYSA-N -1 1 330.434 3.919 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc1 ZINC000180277784 1123975094 /nfs/dbraw/zinc/97/50/94/1123975094.db2.gz NMRPQJWWZUYOFT-UHFFFAOYSA-N -1 1 347.223 3.588 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H](CC(F)(F)F)C1 ZINC000616371270 1123989731 /nfs/dbraw/zinc/98/97/31/1123989731.db2.gz ATMVZAOPCLPVSA-NSHDSACASA-N -1 1 338.329 3.745 20 0 EHADMM CC(C)CCc1nnc([N-]C(=O)c2ccc(F)c(F)c2F)s1 ZINC000617096027 1124083476 /nfs/dbraw/zinc/08/34/76/1124083476.db2.gz CWRJYDVRPLEENF-UHFFFAOYSA-N -1 1 329.347 3.796 20 0 EHADMM CC(C)CCc1nnc([N-]C(=O)c2ccoc2C(F)(F)F)s1 ZINC000617093625 1124090688 /nfs/dbraw/zinc/09/06/88/1124090688.db2.gz WXJZLZSGSBQZSW-UHFFFAOYSA-N -1 1 333.335 3.991 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1C[C@@H](C)C[C@H](C)C1 ZINC000617667206 1124717458 /nfs/dbraw/zinc/71/74/58/1124717458.db2.gz YGXGHPAMZFVJST-RYUDHWBXSA-N -1 1 333.476 3.590 20 0 EHADMM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nc(C4CC4)no3)s2)o1 ZINC000734877955 1131285875 /nfs/dbraw/zinc/28/58/75/1131285875.db2.gz BNSKYNIFJSVJPX-UHFFFAOYSA-N -1 1 330.369 3.533 20 0 EHADMM O=C([N-]c1nc(C2CC2)no1)c1csc(-c2ccccc2Cl)n1 ZINC000734875979 1131286175 /nfs/dbraw/zinc/28/61/75/1131286175.db2.gz HLWLKTGXQJANKH-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CC1(Cl)Cl ZINC000181608574 1124984200 /nfs/dbraw/zinc/98/42/00/1124984200.db2.gz GXTPIKGSKXPLJA-MUWHJKNJSA-N -1 1 348.098 3.878 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000618110034 1124988499 /nfs/dbraw/zinc/98/84/99/1124988499.db2.gz WBHANERIZWYMKC-MRXNPFEDSA-N -1 1 347.798 3.633 20 0 EHADMM CCCCC[C@@H](CC)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000181924111 1125087337 /nfs/dbraw/zinc/08/73/37/1125087337.db2.gz YTQUZLJENPCLHZ-GFCCVEGCSA-N -1 1 344.452 3.742 20 0 EHADMM CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000182868119 1125386391 /nfs/dbraw/zinc/38/63/91/1125386391.db2.gz AXUSYADMHCXIJM-UKTHLTGXSA-N -1 1 342.782 3.990 20 0 EHADMM CC(C)Oc1ccccc1CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000499737659 1129434428 /nfs/dbraw/zinc/43/44/28/1129434428.db2.gz BVRZLCIHKRBJHV-UHFFFAOYSA-N -1 1 341.436 3.529 20 0 EHADMM O=c1cc(-c2ccccc2)nc(SCCCOc2ccccc2)[n-]1 ZINC000041628632 1129443287 /nfs/dbraw/zinc/44/32/87/1129443287.db2.gz QPMQXUFOAKXDCE-UHFFFAOYSA-N -1 1 338.432 3.998 20 0 EHADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338885544 1129695657 /nfs/dbraw/zinc/69/56/57/1129695657.db2.gz ZFKDKGBVLJIPHC-LLVKDONJSA-N -1 1 330.815 3.999 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000509073538 1129721385 /nfs/dbraw/zinc/72/13/85/1129721385.db2.gz CEAYOWOHGKKRJX-UHFFFAOYSA-N -1 1 349.477 3.998 20 0 EHADMM O=C([O-])c1cc(CN2CCC(Oc3cccc(F)c3)CC2)cs1 ZINC000530163605 1130072665 /nfs/dbraw/zinc/07/26/65/1130072665.db2.gz ICDNFVOCCITFOL-UHFFFAOYSA-N -1 1 335.400 3.629 20 0 EHADMM C[C@@H]1C[C@@H](c2ccccc2)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000285501576 1130624991 /nfs/dbraw/zinc/62/49/91/1130624991.db2.gz CWDHDHHIIABOGF-DOMZBBRYSA-N -1 1 325.437 3.980 20 0 EHADMM CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360246 1130703414 /nfs/dbraw/zinc/70/34/14/1130703414.db2.gz DDOUKVOYEYSEMF-RKDXNWHRSA-N -1 1 348.226 3.549 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])[C@H](F)CC1CCCCC1 ZINC001154597628 1131186749 /nfs/dbraw/zinc/18/67/49/1131186749.db2.gz FWHXYFDMPKQDSV-SNVBAGLBSA-N -1 1 345.212 3.797 20 0 EHADMM CC(C)c1ccc2c(c1)CCCN2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000828198512 1131426377 /nfs/dbraw/zinc/42/63/77/1131426377.db2.gz WLSDYCISWKRXKP-UHFFFAOYSA-N -1 1 337.423 3.776 20 0 EHADMM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1cnc(C2CC2)[n-]c1=O ZINC000828198636 1131426470 /nfs/dbraw/zinc/42/64/70/1131426470.db2.gz ZSTSPRCIZBFJRI-KRWDZBQOSA-N -1 1 337.423 3.721 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[nH]1 ZINC000743047126 1131843526 /nfs/dbraw/zinc/84/35/26/1131843526.db2.gz QQZQHOMQZKVNOA-HJWRWDBZSA-N -1 1 339.848 3.773 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)[nH]n1 ZINC000743047137 1131843681 /nfs/dbraw/zinc/84/36/81/1131843681.db2.gz RJVPMZSIHHMJRD-UHFFFAOYSA-N -1 1 335.473 3.806 20 0 EHADMM COc1ccc(C(F)(F)F)cc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721295 1132055428 /nfs/dbraw/zinc/05/54/28/1132055428.db2.gz IRQXTDKACNEUJZ-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000744532923 1132118211 /nfs/dbraw/zinc/11/82/11/1132118211.db2.gz FHETXGZEGPBERB-ZWKOTPCHSA-N -1 1 342.366 3.623 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3ccsc3[nH]2)c1 ZINC000744541397 1132120582 /nfs/dbraw/zinc/12/05/82/1132120582.db2.gz FVMOCDXBHGDECD-UHFFFAOYSA-N -1 1 329.377 3.537 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=Cc2ccccc2F)c1 ZINC000744553869 1132121081 /nfs/dbraw/zinc/12/10/81/1132121081.db2.gz VAWPOCGHPVDFEX-CLFYSBASSA-N -1 1 328.339 3.533 20 0 EHADMM Cc1ccccc1-c1cnc(COC(=O)c2c([O-])cc(F)cc2F)o1 ZINC000744881116 1132164080 /nfs/dbraw/zinc/16/40/80/1132164080.db2.gz UYFHZBHKFVFDCR-UHFFFAOYSA-N -1 1 345.301 3.991 20 0 EHADMM Nc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC001173910878 1132171972 /nfs/dbraw/zinc/17/19/72/1132171972.db2.gz BZLSBNBCUBEOJZ-UHFFFAOYSA-N -1 1 342.395 3.876 20 0 EHADMM COc1ccc(C(C)C)cc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001173915254 1132173130 /nfs/dbraw/zinc/17/31/30/1132173130.db2.gz KSQNTJBFOSLZKQ-UHFFFAOYSA-N -1 1 335.425 3.671 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000745048545 1132183434 /nfs/dbraw/zinc/18/34/34/1132183434.db2.gz VUSHVKOBZFIWOM-QGZVFWFLSA-N -1 1 338.403 3.801 20 0 EHADMM O=C(c1cccc([N-]c2nnc(-c3ccco3)o2)c1)N1CCCCC1 ZINC001174173187 1132267846 /nfs/dbraw/zinc/26/78/46/1132267846.db2.gz PICNCKDNYVMIRI-UHFFFAOYSA-N -1 1 338.367 3.699 20 0 EHADMM CCOc1ccc(Cl)c(Nc2nc[n-]c(=O)c2Br)c1 ZINC001212575751 1132379819 /nfs/dbraw/zinc/37/98/19/1132379819.db2.gz VSWDQLNFNCEDEL-UHFFFAOYSA-N -1 1 344.596 3.740 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001175077010 1132561013 /nfs/dbraw/zinc/56/10/13/1132561013.db2.gz FKLSAARMZXKNKR-UHFFFAOYSA-N -1 1 349.305 3.697 20 0 EHADMM CCOC(=O)c1nc(C2CC2)oc1[N-]c1c(F)cc(F)cc1F ZINC001175147171 1132582004 /nfs/dbraw/zinc/58/20/04/1132582004.db2.gz JKKAQYODHADMFA-UHFFFAOYSA-N -1 1 326.274 3.890 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000766585685 1132659239 /nfs/dbraw/zinc/65/92/39/1132659239.db2.gz QGZHOMQJNLMXOU-UHFFFAOYSA-N -1 1 346.235 3.941 20 0 EHADMM Cc1c(Cl)cc(Nc2ccc(-c3nn[nH]n3)cc2)c([O-])c1Cl ZINC001175433163 1132668075 /nfs/dbraw/zinc/66/80/75/1132668075.db2.gz QVWACCJIRNTIKM-UHFFFAOYSA-N -1 1 336.182 3.931 20 0 EHADMM O=C(CCc1cc(F)ccn1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001175445674 1132673842 /nfs/dbraw/zinc/67/38/42/1132673842.db2.gz VXSZSSQHMLLDQK-UHFFFAOYSA-N -1 1 328.265 3.516 20 0 EHADMM O=C(CCc1cccc(OC2CCCC2)c1)[N-]OCC(F)(F)F ZINC000766758560 1132791431 /nfs/dbraw/zinc/79/14/31/1132791431.db2.gz NIFGLCHBABSSNO-UHFFFAOYSA-N -1 1 331.334 3.551 20 0 EHADMM Nc1ccc2nc(C(F)(F)F)n(-c3ccc(Cl)c([O-])c3)c2c1 ZINC001212592450 1132812362 /nfs/dbraw/zinc/81/23/62/1132812362.db2.gz QFYCMBRLGSNDEB-UHFFFAOYSA-N -1 1 327.693 3.986 20 0 EHADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)c1ccccc1C(F)(F)F ZINC000766783529 1132818963 /nfs/dbraw/zinc/81/89/63/1132818963.db2.gz FZFAMWWCQQTMSD-MRVPVSSYSA-N -1 1 329.240 3.809 20 0 EHADMM Cc1cnn(Cc2ccccn2)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663420 1132977864 /nfs/dbraw/zinc/97/78/64/1132977864.db2.gz JODSAAMNEFSCHF-UHFFFAOYSA-N -1 1 334.301 3.501 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2csc(Br)n2)c1F ZINC001176664590 1132978656 /nfs/dbraw/zinc/97/86/56/1132978656.db2.gz RHJDWUHEHLLFHM-UHFFFAOYSA-N -1 1 325.109 3.772 20 0 EHADMM CCOC(=O)[C@@H](CCCC(C)C)NC(=O)c1c([O-])cccc1Cl ZINC001177424988 1133064448 /nfs/dbraw/zinc/06/44/48/1133064448.db2.gz FTGDWCJJGPKURA-CYBMUJFWSA-N -1 1 341.835 3.533 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000768084213 1133089780 /nfs/dbraw/zinc/08/97/80/1133089780.db2.gz BPPXHNYOCYAWPT-UHFFFAOYSA-N -1 1 336.746 3.787 20 0 EHADMM CP(C)(=O)c1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1 ZINC001179659821 1133267659 /nfs/dbraw/zinc/26/76/59/1133267659.db2.gz GPXJFEPZCIQILP-UHFFFAOYSA-N -1 1 341.706 3.685 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(Cc2ccc(O)cc2)CC1 ZINC001179660337 1133267741 /nfs/dbraw/zinc/26/77/41/1133267741.db2.gz QHSVIGAWBQIUBL-UHFFFAOYSA-N -1 1 335.762 3.852 20 0 EHADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc4c3CCCC4)ccc12 ZINC000769638626 1133319166 /nfs/dbraw/zinc/31/91/66/1133319166.db2.gz PXNXUCITKMEMJE-UHFFFAOYSA-N -1 1 341.436 3.551 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC(C)(C)C2CC2)c([O-])c1 ZINC000769918971 1133359424 /nfs/dbraw/zinc/35/94/24/1133359424.db2.gz QCFKRIFDSFPHIY-UHFFFAOYSA-N -1 1 334.416 3.658 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(Cl)c4c(c3)OCCO4)n2)cc1F ZINC000771222804 1133529293 /nfs/dbraw/zinc/52/92/93/1133529293.db2.gz IPXCPNYDHLFVEC-UHFFFAOYSA-N -1 1 348.717 3.673 20 0 EHADMM COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc2c1O[C@@H](C)C2 ZINC000771222827 1133529305 /nfs/dbraw/zinc/52/93/05/1133529305.db2.gz JCRDZNDLPPOPLA-VIFPVBQESA-N -1 1 342.326 3.580 20 0 EHADMM CSc1nc(NC(=O)C2c3ccccc3-c3ccccc32)cc(=O)[n-]1 ZINC001181910593 1133550529 /nfs/dbraw/zinc/55/05/29/1133550529.db2.gz PBBYHQREPPIBIB-UHFFFAOYSA-N -1 1 349.415 3.655 20 0 EHADMM O=C([N-][C@@H]1CCc2c1c(F)ccc2F)C(F)(F)c1ccc(F)cc1 ZINC001182890365 1133744660 /nfs/dbraw/zinc/74/46/60/1133744660.db2.gz OXSOMWOXGQTMCB-CQSZACIVSA-N -1 1 341.279 3.999 20 0 EHADMM COc1cc(F)cc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)c1 ZINC001182967752 1133751576 /nfs/dbraw/zinc/75/15/76/1133751576.db2.gz ANPWMBMABLHQRJ-UHFFFAOYSA-N -1 1 346.745 3.994 20 0 EHADMM CCCOc1ccccc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185137982 1134034777 /nfs/dbraw/zinc/03/47/77/1134034777.db2.gz UWQBPARVFLTMLB-UHFFFAOYSA-N -1 1 341.379 3.696 20 0 EHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185186581 1134045978 /nfs/dbraw/zinc/04/59/78/1134045978.db2.gz VDJKINWVHPACHZ-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM Cc1ccc(F)c(NC(=O)Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001185228134 1134054233 /nfs/dbraw/zinc/05/42/33/1134054233.db2.gz GUERQVLMYHNEPC-UHFFFAOYSA-N -1 1 328.299 3.590 20 0 EHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1C ZINC001185532793 1134104734 /nfs/dbraw/zinc/10/47/34/1134104734.db2.gz SBGIOPKNAYEFNJ-UHFFFAOYSA-N -1 1 337.828 3.960 20 0 EHADMM COC(=O)c1c[n-]c(SCCSc2ccc(Cl)cc2)n1 ZINC000788504993 1134133627 /nfs/dbraw/zinc/13/36/27/1134133627.db2.gz JSNQXQBDWCXCGE-UHFFFAOYSA-N -1 1 328.846 3.734 20 0 EHADMM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185991016 1134153496 /nfs/dbraw/zinc/15/34/96/1134153496.db2.gz KTDZBBFYXHMQOQ-UHFFFAOYSA-N -1 1 329.425 3.796 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000788682939 1134156396 /nfs/dbraw/zinc/15/63/96/1134156396.db2.gz RLOFAVVQYWXQDV-UHFFFAOYSA-N -1 1 348.346 3.628 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000788682939 1134156398 /nfs/dbraw/zinc/15/63/98/1134156398.db2.gz RLOFAVVQYWXQDV-UHFFFAOYSA-N -1 1 348.346 3.628 20 0 EHADMM COc1ccc(-c2ccccc2NC(=O)c2ccc([O-])c(F)c2)nc1 ZINC001186236167 1134184114 /nfs/dbraw/zinc/18/41/14/1134184114.db2.gz ANFKCYRAQZUYNJ-UHFFFAOYSA-N -1 1 338.338 3.854 20 0 EHADMM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186227219 1134184709 /nfs/dbraw/zinc/18/47/09/1134184709.db2.gz ZHIUKVGMVPGBNU-UHFFFAOYSA-N -1 1 331.343 3.739 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1Cc2nc(-c3ccccc3)sc2C1 ZINC001186326518 1134195795 /nfs/dbraw/zinc/19/57/95/1134195795.db2.gz FTBOXTBOGRSPQV-UHFFFAOYSA-N -1 1 340.379 3.811 20 0 EHADMM CSc1ccccc1NC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001186717398 1134252693 /nfs/dbraw/zinc/25/26/93/1134252693.db2.gz UKNBHVLXOSJHAY-UHFFFAOYSA-N -1 1 342.376 3.865 20 0 EHADMM S=c1nc(-c2ccccn2)[n-]n1CN1CCC=C(c2ccccc2)C1 ZINC000789547074 1134295570 /nfs/dbraw/zinc/29/55/70/1134295570.db2.gz YCCVEMLLQWOLSM-UHFFFAOYSA-N -1 1 349.463 3.749 20 0 EHADMM Cc1nc(C(C)(C)C)sc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790055174 1134366969 /nfs/dbraw/zinc/36/69/69/1134366969.db2.gz FBMQSPDJUHJAKB-UHFFFAOYSA-N -1 1 325.821 3.755 20 0 EHADMM CCN(CC)c1ccc(NC(=O)c2ncc(C(F)(F)F)[n-]2)c(C)c1 ZINC001188288587 1134445089 /nfs/dbraw/zinc/44/50/89/1134445089.db2.gz FNFXJYHDWNKTNH-UHFFFAOYSA-N -1 1 340.349 3.835 20 0 EHADMM CCN(CC)c1ccc(NC(=O)c2nc(C(F)(F)F)c[n-]2)c(C)c1 ZINC001188288587 1134445093 /nfs/dbraw/zinc/44/50/93/1134445093.db2.gz FNFXJYHDWNKTNH-UHFFFAOYSA-N -1 1 340.349 3.835 20 0 EHADMM O=C(Nc1nc2ccc(F)cc2o1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188564090 1134476280 /nfs/dbraw/zinc/47/62/80/1134476280.db2.gz QTMQMBYWISCSSM-UHFFFAOYSA-N -1 1 340.232 3.944 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)s1 ZINC001189079928 1134542898 /nfs/dbraw/zinc/54/28/98/1134542898.db2.gz JUOVRMADVKRZIZ-LBPRGKRZSA-N -1 1 341.420 3.846 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC001189501217 1134592178 /nfs/dbraw/zinc/59/21/78/1134592178.db2.gz MOCLTZXJEOUOPR-UHFFFAOYSA-N -1 1 344.358 3.659 20 0 EHADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2F)c1 ZINC001189609139 1134606019 /nfs/dbraw/zinc/60/60/19/1134606019.db2.gz JRDVITNNQYZXIQ-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)Cc3ccc(F)cc3F)ccc2c1 ZINC001189780128 1134626648 /nfs/dbraw/zinc/62/66/48/1134626648.db2.gz CZCKPKGIWASOKS-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM Cc1cccc2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3F)nc12 ZINC001189780561 1134626797 /nfs/dbraw/zinc/62/67/97/1134626797.db2.gz MTRDIYQIXMOGNI-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2cc(C)nc3sccc32)c(OC)c1 ZINC001190119995 1134662082 /nfs/dbraw/zinc/66/20/82/1134662082.db2.gz CVGLTDRVWJOJPO-UHFFFAOYSA-N -1 1 344.392 3.580 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cncnc2Cl)cc1 ZINC001190424322 1134698535 /nfs/dbraw/zinc/69/85/35/1134698535.db2.gz YUARLMHMLUHFSC-UHFFFAOYSA-N -1 1 339.848 3.618 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1F ZINC001190507430 1134709110 /nfs/dbraw/zinc/70/91/10/1134709110.db2.gz VTHJUCDLICJOTM-UHFFFAOYSA-N -1 1 335.400 3.650 20 0 EHADMM Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cnn1C(C)(C)C ZINC001190827388 1134755660 /nfs/dbraw/zinc/75/56/60/1134755660.db2.gz DNFALLMGTPVBJR-UHFFFAOYSA-N -1 1 341.333 3.923 20 0 EHADMM CC[C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000085069782 1134763064 /nfs/dbraw/zinc/76/30/64/1134763064.db2.gz XHBUJTCJNPBUOC-JQWIXIFHSA-N -1 1 326.234 3.853 20 0 EHADMM COc1cc(C(=O)Nc2cc(O)cc(Cl)c2)cc(Cl)c1[O-] ZINC001191148943 1134801954 /nfs/dbraw/zinc/80/19/54/1134801954.db2.gz WCLJDYKJBLBDGD-UHFFFAOYSA-N -1 1 328.151 3.666 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)cc1 ZINC001191249201 1134836481 /nfs/dbraw/zinc/83/64/81/1134836481.db2.gz QBMJDMIOIZLGKH-UHFFFAOYSA-N -1 1 343.448 3.959 20 0 EHADMM Cc1c(Cl)ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1Cl ZINC001191770700 1134911915 /nfs/dbraw/zinc/91/19/15/1134911915.db2.gz IAMKWSZXMPIXTB-JTQLQIEISA-N -1 1 344.210 3.768 20 0 EHADMM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cc(F)cc(F)c1 ZINC001191855741 1134928147 /nfs/dbraw/zinc/92/81/47/1134928147.db2.gz LSGDCBOOYXSDND-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001192166503 1134973364 /nfs/dbraw/zinc/97/33/64/1134973364.db2.gz KQYRHWBRJWDKKF-JKSUJKDBSA-N -1 1 327.405 3.576 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC2(C=Cc3ccccc32)CC1 ZINC001192526539 1135031488 /nfs/dbraw/zinc/03/14/88/1135031488.db2.gz MATLKKSRKSEKPR-UHFFFAOYSA-N -1 1 341.357 3.871 20 0 EHADMM O=C(Nc1ccc(C2CCOCC2)cc1)c1c(F)ccc([O-])c1F ZINC001192541577 1135033786 /nfs/dbraw/zinc/03/37/86/1135033786.db2.gz YPCHFVXZJAYBAL-UHFFFAOYSA-N -1 1 333.334 3.817 20 0 EHADMM Cc1nc(-c2ccc(C)cc2)c(CC(=O)[N-]OC/C=C/Cl)s1 ZINC000794293768 1135037235 /nfs/dbraw/zinc/03/72/35/1135037235.db2.gz QGEDSVNLZOTTJQ-FPYGCLRLSA-N -1 1 336.844 3.770 20 0 EHADMM COc1cccc(Cl)c1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC001192571658 1135039168 /nfs/dbraw/zinc/03/91/68/1135039168.db2.gz MDBHMLGGNMNMKT-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM COc1ccc(CNC(=O)c2cc([O-])cc(F)c2F)c2ccccc12 ZINC001192685082 1135045406 /nfs/dbraw/zinc/04/54/06/1135045406.db2.gz YKLHYIQNIYLHQH-UHFFFAOYSA-N -1 1 343.329 3.762 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c1F ZINC001192754827 1135055190 /nfs/dbraw/zinc/05/51/90/1135055190.db2.gz SUXQCPBLWFOFEP-AWEZNQCLSA-N -1 1 335.391 3.626 20 0 EHADMM O=S(=O)(CC1CCC1)[N-]c1cnc2ccccc2c1C(F)(F)F ZINC001193478924 1135141669 /nfs/dbraw/zinc/14/16/69/1135141669.db2.gz NTNUAMNIDWKFDX-UHFFFAOYSA-N -1 1 344.358 3.795 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1c(F)cncc1F ZINC000804823242 1135204602 /nfs/dbraw/zinc/20/46/02/1135204602.db2.gz GLFITWQUHPBROS-QMMMGPOBSA-N -1 1 346.711 3.982 20 0 EHADMM COc1cc(F)c(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1F ZINC001193974349 1135208499 /nfs/dbraw/zinc/20/84/99/1135208499.db2.gz AHEXPVZRUFUGDS-UHFFFAOYSA-N -1 1 347.239 3.950 20 0 EHADMM CCc1nccc(C)c1[N-]S(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC001194843338 1135335108 /nfs/dbraw/zinc/33/51/08/1135335108.db2.gz KCAZNQRNCOLJAH-UHFFFAOYSA-N -1 1 348.468 3.687 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3c2CCC3=O)c1 ZINC001195156963 1135383715 /nfs/dbraw/zinc/38/37/15/1135383715.db2.gz YAAUUROCBNGCBB-UHFFFAOYSA-N -1 1 329.421 3.740 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1C(C)=O ZINC001195159360 1135384414 /nfs/dbraw/zinc/38/44/14/1135384414.db2.gz OLRLZLOZVIKPMC-UHFFFAOYSA-N -1 1 347.436 3.822 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1F ZINC001195159354 1135384586 /nfs/dbraw/zinc/38/45/86/1135384586.db2.gz ODKGHPMDBQZWJH-UHFFFAOYSA-N -1 1 337.416 3.896 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001195449583 1135424369 /nfs/dbraw/zinc/42/43/69/1135424369.db2.gz ZVIICSHVYJFYRI-UHFFFAOYSA-N -1 1 342.726 3.682 20 0 EHADMM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccc(O)cc2)o1 ZINC001195802786 1135472760 /nfs/dbraw/zinc/47/27/60/1135472760.db2.gz LVEYDGVXHDQZMJ-UHFFFAOYSA-N -1 1 329.377 3.761 20 0 EHADMM CCc1ccc(OC)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC001196885336 1135621457 /nfs/dbraw/zinc/62/14/57/1135621457.db2.gz HUHBGHKWSKIGLX-UHFFFAOYSA-N -1 1 349.452 3.684 20 0 EHADMM CC(=O)c1sccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197649182 1135715807 /nfs/dbraw/zinc/71/58/07/1135715807.db2.gz IGLNNEYTTWGQHM-UHFFFAOYSA-N -1 1 347.820 3.685 20 0 EHADMM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153385 1135779856 /nfs/dbraw/zinc/77/98/56/1135779856.db2.gz NRJMWJVXMOUWKQ-UHFFFAOYSA-N -1 1 345.399 3.693 20 0 EHADMM [O-]c1c(F)cc(Br)cc1NC(=S)NC1CCCC1 ZINC001198554585 1135834828 /nfs/dbraw/zinc/83/48/28/1135834828.db2.gz UABWRODORLMZQF-UHFFFAOYSA-N -1 1 333.226 3.523 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)cc2snnc21 ZINC001198868174 1135864697 /nfs/dbraw/zinc/86/46/97/1135864697.db2.gz GRORCOOGHUIUMQ-UHFFFAOYSA-N -1 1 345.405 3.547 20 0 EHADMM CCc1ccc(C(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)c([O-])c1 ZINC000805354557 1135903220 /nfs/dbraw/zinc/90/32/20/1135903220.db2.gz FDFNLPAPOWGXCP-UHFFFAOYSA-N -1 1 337.375 3.646 20 0 EHADMM [O-]c1c(F)cc(F)cc1NC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200885192 1135963752 /nfs/dbraw/zinc/96/37/52/1135963752.db2.gz NUJHEHWURQFYGT-UHFFFAOYSA-N -1 1 346.362 3.665 20 0 EHADMM O=C(Oc1cccc2c1OCCO2)c1cc2cc(Cl)sc2[n-]1 ZINC000810676350 1135992528 /nfs/dbraw/zinc/99/25/28/1135992528.db2.gz XEKZQXWSHFXBAA-UHFFFAOYSA-N -1 1 335.768 3.873 20 0 EHADMM O=S(=O)([N-]CC1CCCC1)c1cc(Cl)c(Cl)cc1F ZINC001201243827 1135998708 /nfs/dbraw/zinc/99/87/08/1135998708.db2.gz ABTBMWWHQJECPG-UHFFFAOYSA-N -1 1 326.220 3.601 20 0 EHADMM O=S(=O)([N-]C(C1CC1)C1CC1)c1cc(Cl)c(Cl)cc1F ZINC001201279394 1136000483 /nfs/dbraw/zinc/00/04/83/1136000483.db2.gz JZJUSWVVPPISRP-UHFFFAOYSA-N -1 1 338.231 3.599 20 0 EHADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H]1C[C@H](C)c2ccccc21 ZINC001201765106 1136061140 /nfs/dbraw/zinc/06/11/40/1136061140.db2.gz VKZFYGQMGNVYGI-QPUJVOFHSA-N -1 1 342.873 3.632 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c(C)c1 ZINC000811836009 1136143147 /nfs/dbraw/zinc/14/31/47/1136143147.db2.gz ZWBIYWFSYIQINJ-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM CN(OCc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776488915 1136299431 /nfs/dbraw/zinc/29/94/31/1136299431.db2.gz TZXSDARSUVBLGU-UHFFFAOYSA-N -1 1 325.286 3.615 20 0 EHADMM O=C([N-]c1noc2c1CCCC2)c1cc(-c2c(F)cccc2F)no1 ZINC001134907435 1136564441 /nfs/dbraw/zinc/56/44/41/1136564441.db2.gz IQCVOZFJOOEMEX-UHFFFAOYSA-N -1 1 345.305 3.739 20 0 EHADMM C[C@H](OCC1CC1)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000816590538 1136734908 /nfs/dbraw/zinc/73/49/08/1136734908.db2.gz DETFCURSVVHDPG-ZETCQYMHSA-N -1 1 348.624 3.562 20 0 EHADMM Cc1ccc2c(CSc3nc(C)c(C)c(=O)[n-]3)cc(=O)oc2c1C ZINC000776871120 1136753200 /nfs/dbraw/zinc/75/32/00/1136753200.db2.gz VLKOXFHYVHVNRM-UHFFFAOYSA-N -1 1 342.420 3.815 20 0 EHADMM CCCC(O)(CCC)CC(=O)Nc1cccc([O-])c1Br ZINC000818026624 1136856290 /nfs/dbraw/zinc/85/62/90/1136856290.db2.gz CUOPCMRKOJQKRP-UHFFFAOYSA-N -1 1 344.249 3.815 20 0 EHADMM COC(=O)CSc1cccc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830807 1136860714 /nfs/dbraw/zinc/86/07/14/1136860714.db2.gz ZYVCISHISMTDLJ-UHFFFAOYSA-N -1 1 327.764 3.512 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)no1 ZINC000857442203 1136871421 /nfs/dbraw/zinc/87/14/21/1136871421.db2.gz RGPJQPUTIBGESN-UHFFFAOYSA-N -1 1 335.137 3.698 20 0 EHADMM O=C([N-][C@H](C1CCCCC1)C(F)(F)F)C(F)(F)C1(O)CCCC1 ZINC000857462919 1136873649 /nfs/dbraw/zinc/87/36/49/1136873649.db2.gz RCZPEQDWRCDHQT-LLVKDONJSA-N -1 1 343.336 3.554 20 0 EHADMM CC(C)C1(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000857462422 1136873827 /nfs/dbraw/zinc/87/38/27/1136873827.db2.gz GXNVGRNNNJVJQJ-UHFFFAOYSA-N -1 1 348.443 3.905 20 0 EHADMM O=C(Nc1ncccc1[O-])C(F)(F)c1cccc(Cl)c1Cl ZINC000857486183 1136876217 /nfs/dbraw/zinc/87/62/17/1136876217.db2.gz IAUAYPWIKITPPH-UHFFFAOYSA-N -1 1 333.121 3.825 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2(C3CCC3)CC2)c([O-])c1 ZINC000857548361 1136882654 /nfs/dbraw/zinc/88/26/54/1136882654.db2.gz KOFQGPKFYURWGT-UHFFFAOYSA-N -1 1 346.427 3.802 20 0 EHADMM Cn1[n-]cc2c(=NC(=O)Cc3ccc(C4CCCCC4)cc3)ccnc1-2 ZINC000857614277 1136891540 /nfs/dbraw/zinc/89/15/40/1136891540.db2.gz CFCDWVSVNBOECK-UHFFFAOYSA-N -1 1 348.450 3.571 20 0 EHADMM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc([O-])c1F ZINC001136229229 1136946301 /nfs/dbraw/zinc/94/63/01/1136946301.db2.gz OEEHKTHJHMGBFZ-UHFFFAOYSA-N -1 1 330.359 3.687 20 0 EHADMM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001136236248 1136948867 /nfs/dbraw/zinc/94/88/67/1136948867.db2.gz PYOFISIKTDILHL-SNVBAGLBSA-N -1 1 330.384 3.974 20 0 EHADMM O=c1nc(NCCCCOc2ccc(Cl)cc2)cc(Cl)[n-]1 ZINC000858328022 1136958839 /nfs/dbraw/zinc/95/88/39/1136958839.db2.gz IHHGXYDNXKFMFZ-UHFFFAOYSA-N -1 1 328.199 3.760 20 0 EHADMM Cc1cc(C)n(-c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2F)n1 ZINC001136322013 1136986423 /nfs/dbraw/zinc/98/64/23/1136986423.db2.gz XXJJGOYDOOPURQ-UHFFFAOYSA-N -1 1 343.333 3.725 20 0 EHADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001136390139 1137009870 /nfs/dbraw/zinc/00/98/70/1137009870.db2.gz UWWFAWLCAUSCRM-AWEZNQCLSA-N -1 1 339.288 3.967 20 0 EHADMM CCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)c(OCCC)c1 ZINC000821011999 1137015677 /nfs/dbraw/zinc/01/56/77/1137015677.db2.gz AQQAFKFFEVNQHE-CLFYSBASSA-N -1 1 344.411 3.939 20 0 EHADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CC[C@@H](c2ccccc2)C1 ZINC001136432379 1137023273 /nfs/dbraw/zinc/02/32/73/1137023273.db2.gz OZJXCZUEVCNHBN-CQSZACIVSA-N -1 1 336.366 3.709 20 0 EHADMM CCCCOc1ccccc1CNCc1ccc(CC(=O)[O-])cc1 ZINC000859820575 1137032754 /nfs/dbraw/zinc/03/27/54/1137032754.db2.gz VBMAGCXCCKGDRP-UHFFFAOYSA-N -1 1 327.424 3.782 20 0 EHADMM Cc1ccc2nc([N-]C(=O)c3nnc(-c4ccco4)o3)sc2c1 ZINC001136591208 1137064180 /nfs/dbraw/zinc/06/41/80/1137064180.db2.gz NNWKZNWCOKSNBY-UHFFFAOYSA-N -1 1 326.337 3.500 20 0 EHADMM CC(C)(C)Cc1ncc(C(=O)Nc2cc([O-])c(F)cc2F)s1 ZINC000822543619 1137064480 /nfs/dbraw/zinc/06/44/80/1137064480.db2.gz YIFYHRCZGXCYMX-UHFFFAOYSA-N -1 1 326.368 3.968 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001136612976 1137069624 /nfs/dbraw/zinc/06/96/24/1137069624.db2.gz DJIXUYBFXXKLNS-UHFFFAOYSA-N -1 1 341.798 3.611 20 0 EHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1onc2c1CCCC2 ZINC000823119907 1137087941 /nfs/dbraw/zinc/08/79/41/1137087941.db2.gz FRVULJFCAKJMHW-UHFFFAOYSA-N -1 1 332.429 3.705 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2ccc(C)c(NC(C)=O)c2C)c1 ZINC001136692081 1137090085 /nfs/dbraw/zinc/09/00/85/1137090085.db2.gz MVIQQGBXYPIYRD-UHFFFAOYSA-N -1 1 344.436 3.942 20 0 EHADMM COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(F)c([O-])c1 ZINC001136714868 1137098133 /nfs/dbraw/zinc/09/81/33/1137098133.db2.gz YJAYQGRBHKFKLZ-LBPRGKRZSA-N -1 1 349.427 3.698 20 0 EHADMM O=C(NCc1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1[O-] ZINC001136722204 1137099806 /nfs/dbraw/zinc/09/98/06/1137099806.db2.gz VPHQBDKFQKBSTF-UHFFFAOYSA-N -1 1 331.240 3.619 20 0 EHADMM COc1ccc(Cl)cc1CCNC(=O)c1cc(Cl)ccc1[O-] ZINC001136768326 1137111687 /nfs/dbraw/zinc/11/16/87/1137111687.db2.gz YDDAXEHVWLDWNW-UHFFFAOYSA-N -1 1 340.206 3.680 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2ccc3c(c2)nc(C)n3C)c1 ZINC001137009470 1137170658 /nfs/dbraw/zinc/17/06/58/1137170658.db2.gz ZUJFQKLHBSGKQP-UHFFFAOYSA-N -1 1 327.409 3.562 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863244055 1137176933 /nfs/dbraw/zinc/17/69/33/1137176933.db2.gz YAYJDVDJHWHXEA-SOUVJXGZSA-N -1 1 327.811 3.921 20 0 EHADMM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1c([O-])cccc1Cl ZINC000844038759 1137195242 /nfs/dbraw/zinc/19/52/42/1137195242.db2.gz ONQGELOAPUHCBX-DIFFPNOSSA-N -1 1 349.789 3.787 20 0 EHADMM CCc1nc(CNCc2cccc(CC3CCC3)c2)ccc1C(=O)[O-] ZINC000864505532 1137230660 /nfs/dbraw/zinc/23/06/60/1137230660.db2.gz OGBMXZDAUJSFQW-UHFFFAOYSA-N -1 1 338.451 3.975 20 0 EHADMM O=C([N-]c1nnc(C2CC2)s1)c1ccc(SC(F)(F)F)o1 ZINC000864926874 1137253041 /nfs/dbraw/zinc/25/30/41/1137253041.db2.gz AGEMQRKMPXEQTF-UHFFFAOYSA-N -1 1 335.332 3.873 20 0 EHADMM CC(C)(C)c1csc(C(=O)[N-]c2nnc(-c3ccco3)s2)n1 ZINC000864970177 1137255845 /nfs/dbraw/zinc/25/58/45/1137255845.db2.gz JYKDRQWKZLEHSP-UHFFFAOYSA-N -1 1 334.426 3.804 20 0 EHADMM C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001144498056 1137302388 /nfs/dbraw/zinc/30/23/88/1137302388.db2.gz WSOGEPQHOWTUIM-SNVBAGLBSA-N -1 1 325.286 3.817 20 0 EHADMM [O-]c1cc(F)c(CN2CCN(C/C=C/c3ccccc3)CC2)c(F)c1 ZINC001144541669 1137307126 /nfs/dbraw/zinc/30/71/26/1137307126.db2.gz JLWSWGCQGNBZSV-QPJJXVBHSA-N -1 1 344.405 3.501 20 0 EHADMM [O-]c1cc(F)c(CN2CCOC[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC001144561870 1137310178 /nfs/dbraw/zinc/31/01/78/1137310178.db2.gz PLIXIYXINPRDFI-KRWDZBQOSA-N -1 1 339.769 3.897 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000846621820 1137359371 /nfs/dbraw/zinc/35/93/71/1137359371.db2.gz OHLAULSVDAJZBM-LLGZUXRYSA-N -1 1 331.460 3.559 20 0 EHADMM Cc1sc(C(=O)Nc2c([O-])cccc2F)cc1Br ZINC001146492740 1137390726 /nfs/dbraw/zinc/39/07/26/1137390726.db2.gz PSVKVFPWODVWEP-UHFFFAOYSA-N -1 1 330.178 3.916 20 0 EHADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(Br)ccc1[O-] ZINC001146662239 1137392400 /nfs/dbraw/zinc/39/24/00/1137392400.db2.gz RIXTZVDLJLRJNA-NTZNESFSSA-N -1 1 338.245 3.853 20 0 EHADMM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC001147111865 1137400721 /nfs/dbraw/zinc/40/07/21/1137400721.db2.gz JKRQRABOXYZVAE-SWLSCSKDSA-N -1 1 346.224 3.516 20 0 EHADMM C[C@@H]1C[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)[C@@H](C)O1 ZINC000868291951 1137404999 /nfs/dbraw/zinc/40/49/99/1137404999.db2.gz ZPNCRYDJGNSFKQ-BHNWBGBOSA-N -1 1 348.624 3.560 20 0 EHADMM CCc1ccc(CCNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC001147326279 1137404450 /nfs/dbraw/zinc/40/44/50/1137404450.db2.gz VBVVQIUQECEUKW-UHFFFAOYSA-N -1 1 348.240 3.690 20 0 EHADMM CC(C)c1cc(C(=O)[N-]c2nc(F)cc(C(F)(F)F)c2F)no1 ZINC001147473556 1137407298 /nfs/dbraw/zinc/40/72/98/1137407298.db2.gz YMYUVYHBZFRPQE-UHFFFAOYSA-N -1 1 335.232 3.742 20 0 EHADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)[C@H]1c1ccccc1 ZINC001148193338 1137418798 /nfs/dbraw/zinc/41/87/98/1137418798.db2.gz YFLKQCUEOWVCAF-CWTRNNRKSA-N -1 1 336.366 3.913 20 0 EHADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(Br)cc1[O-] ZINC001148387603 1137423153 /nfs/dbraw/zinc/42/31/53/1137423153.db2.gz FEGZAANJJJIRPJ-UONOGXRCSA-N -1 1 338.245 3.853 20 0 EHADMM O=C(NCC1Oc2ccccc2O1)c1cccc(-c2ccccc2)c1[O-] ZINC001148873500 1137435986 /nfs/dbraw/zinc/43/59/86/1137435986.db2.gz WPTCBBQBPBOKAV-UHFFFAOYSA-N -1 1 347.370 3.587 20 0 EHADMM Cc1nc2c(o1)CCN(C(=O)c1cccc(-c3ccccc3)c1[O-])C2 ZINC001148869638 1137436769 /nfs/dbraw/zinc/43/67/69/1137436769.db2.gz MYAAHTPOKXFUHW-UHFFFAOYSA-N -1 1 334.375 3.554 20 0 EHADMM COc1ccc(CO)c(NC(=O)c2cccc(-c3ccccc3)c2[O-])c1 ZINC001148869273 1137436799 /nfs/dbraw/zinc/43/67/99/1137436799.db2.gz HBOLLGPOJWYFDY-UHFFFAOYSA-N -1 1 349.386 3.812 20 0 EHADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2C)c(Cl)c1OC ZINC000871882410 1137562263 /nfs/dbraw/zinc/56/22/63/1137562263.db2.gz HWXRVYOYYRJDGF-INIZCTEOSA-N -1 1 349.814 3.581 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2C2CC2)cc1 ZINC000872415002 1137579685 /nfs/dbraw/zinc/57/96/85/1137579685.db2.gz ZAVDVLPXFZSKBD-UHFFFAOYSA-N -1 1 347.436 3.772 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N(Cc1cccs1)C1CC1 ZINC000876394876 1137650697 /nfs/dbraw/zinc/65/06/97/1137650697.db2.gz PIVDGBGKGOQHCT-UHFFFAOYSA-N -1 1 336.844 3.981 20 0 EHADMM CCCCCC[C@@H](CC)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000880653396 1137783424 /nfs/dbraw/zinc/78/34/24/1137783424.db2.gz VQCSGDIOXSXQIS-GFCCVEGCSA-N -1 1 325.478 3.517 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])C1(c2cccnc2)CC2(CCC2)C1 ZINC000880853668 1137791306 /nfs/dbraw/zinc/79/13/06/1137791306.db2.gz KTVZSNNVPONCGP-UHFFFAOYSA-N -1 1 326.371 3.767 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(Oc2cnccn2)c1 ZINC000129437230 1137820641 /nfs/dbraw/zinc/82/06/41/1137820641.db2.gz PAHLREGXGGJNBP-UHFFFAOYSA-N -1 1 341.754 3.880 20 0 EHADMM CCCN(CC(F)F)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000133081848 1137877912 /nfs/dbraw/zinc/87/79/12/1137877912.db2.gz YPUWVVLSXOHOJY-UHFFFAOYSA-N -1 1 332.464 3.998 20 0 EHADMM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000116033150 1137924365 /nfs/dbraw/zinc/92/43/65/1137924365.db2.gz YXNZVIPXIHHFMZ-QHCPKHFHSA-N -1 1 331.437 3.692 20 0 EHADMM Cc1ccc(CN(Cc2nc(=O)c3sccc3[n-]2)C2CC2)cc1C ZINC000120467938 1137949938 /nfs/dbraw/zinc/94/99/38/1137949938.db2.gz HELQECHISMXXDB-UHFFFAOYSA-N -1 1 339.464 3.766 20 0 EHADMM O=c1[n-]c(CN2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000348327927 1137963991 /nfs/dbraw/zinc/96/39/91/1137963991.db2.gz ULJUTBGNHKJYAK-ZDUSSCGKSA-N -1 1 340.349 3.646 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885219076 1137988797 /nfs/dbraw/zinc/98/87/97/1137988797.db2.gz IDWDSHNLSLGBRO-DNVCBOLYSA-N -1 1 337.419 3.902 20 0 EHADMM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)C1(C)C ZINC000885678006 1138018170 /nfs/dbraw/zinc/01/81/70/1138018170.db2.gz GOYJMSZVLLPRCL-IUCAKERBSA-N -1 1 327.783 3.765 20 0 EHADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CCCC1 ZINC000046588262 1138041640 /nfs/dbraw/zinc/04/16/40/1138041640.db2.gz VATMVGYBXCHFFV-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000075082268 1138125860 /nfs/dbraw/zinc/12/58/60/1138125860.db2.gz FNRBIEWRNDDWRA-UHFFFAOYSA-N -1 1 346.452 3.594 20 0 EHADMM CC(C)[C@H](C(=O)NCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000080173312 1138161203 /nfs/dbraw/zinc/16/12/03/1138161203.db2.gz WMTYVEFKZCXSHH-HNNXBMFYSA-N -1 1 332.473 3.578 20 0 EHADMM Cc1ccccc1[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000263726180 1138350791 /nfs/dbraw/zinc/35/07/91/1138350791.db2.gz PDCZHRMBRROZFU-CYBMUJFWSA-N -1 1 325.437 3.695 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000337774799 1138664811 /nfs/dbraw/zinc/66/48/11/1138664811.db2.gz WYYXSEQRUHILPQ-UHFFFAOYSA-N -1 1 345.449 3.599 20 0 EHADMM O=C(c1ncccc1[O-])N1CC=C(c2cccc3ccccc32)CC1 ZINC000338076455 1138742793 /nfs/dbraw/zinc/74/27/93/1138742793.db2.gz GCBJVVHGURFRDE-UHFFFAOYSA-N -1 1 330.387 3.870 20 0 EHADMM CC(C)[C@@H](Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(C(C)(C)C)cc1 ZINC000509524424 1139300619 /nfs/dbraw/zinc/30/06/19/1139300619.db2.gz FHNQNMKQFILDDN-OAHLLOKOSA-N -1 1 339.443 3.539 20 0 EHADMM CCC[C@@H](N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000185035185 1140132721 /nfs/dbraw/zinc/13/27/21/1140132721.db2.gz QTSZLEKGHXIJIE-RDTXWAMCSA-N -1 1 340.423 3.524 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@H](C)c2ccccn2)cc(Cl)c1[O-] ZINC000186715280 1140218713 /nfs/dbraw/zinc/21/87/13/1140218713.db2.gz IWRBDSKECBPBTD-LLVKDONJSA-N -1 1 334.803 3.673 20 0 EHADMM CCOc1cc(C(=O)N[C@H](COC)c2ccccc2)cc(Cl)c1[O-] ZINC000186771984 1140221308 /nfs/dbraw/zinc/22/13/08/1140221308.db2.gz FNTOPRMNNVHMCX-OAHLLOKOSA-N -1 1 349.814 3.562 20 0 EHADMM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccccc1[O-] ZINC000188786392 1140308529 /nfs/dbraw/zinc/30/85/29/1140308529.db2.gz BPIANEDADHENCI-LBPRGKRZSA-N -1 1 347.798 3.713 20 0 EHADMM CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000267232749 1140770669 /nfs/dbraw/zinc/77/06/69/1140770669.db2.gz ZWZFFWMTJWNKCG-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cn1 ZINC000268935269 1141030032 /nfs/dbraw/zinc/03/00/32/1141030032.db2.gz DDXXHBMQPCKUGQ-UHFFFAOYSA-N -1 1 349.790 3.856 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2CCc3c2cccc3O)cc(Cl)c1[O-] ZINC000273981474 1141456889 /nfs/dbraw/zinc/45/68/89/1141456889.db2.gz UOWGFSREETVWNK-AWEZNQCLSA-N -1 1 347.798 3.567 20 0 EHADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339122892 1141503173 /nfs/dbraw/zinc/50/31/73/1141503173.db2.gz KDOWOGLUDFSVER-UHFFFAOYSA-N -1 1 346.390 3.753 20 0 EHADMM CC(C)[C@H](NCc1cccc([O-])c1Cl)c1nnc2ccccn21 ZINC000339220544 1141531935 /nfs/dbraw/zinc/53/19/35/1141531935.db2.gz OWVLCTGMVGZHKQ-INIZCTEOSA-N -1 1 330.819 3.575 20 0 EHADMM O=C(NCCC1CCCCC1)c1ccc(Br)cc1[O-] ZINC000104175690 219356136 /nfs/dbraw/zinc/35/61/36/219356136.db2.gz QGCIZAAHCITSOS-UHFFFAOYSA-N -1 1 326.234 3.855 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1CCOc1c(Cl)cccc1Cl ZINC000038027886 213192408 /nfs/dbraw/zinc/19/24/08/213192408.db2.gz XWPAWVFELCCMOK-LLVKDONJSA-N -1 1 332.227 3.701 20 0 EHADMM CCOc1cc(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)cc(Cl)c1[O-] ZINC000616443937 479909766 /nfs/dbraw/zinc/90/97/66/479909766.db2.gz TVWBGCUNLGGSTK-WCBMZHEXSA-N -1 1 335.791 3.543 20 0 EHADMM Cc1cc(Oc2c3ccccc3nnc2-c2nn[n-]n2)ccc1Cl ZINC000737279621 598954673 /nfs/dbraw/zinc/95/46/73/598954673.db2.gz KOSBPZMDLWFCKW-UHFFFAOYSA-N -1 1 338.758 3.564 20 0 EHADMM CCC[C@H](Cc1ccccc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736426022 598522587 /nfs/dbraw/zinc/52/25/87/598522587.db2.gz MZEGCVYROKNBRZ-LLVKDONJSA-N -1 1 348.863 3.800 20 0 EHADMM CCC[C@H](Cc1ccccc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736426022 598522589 /nfs/dbraw/zinc/52/25/89/598522589.db2.gz MZEGCVYROKNBRZ-LLVKDONJSA-N -1 1 348.863 3.800 20 0 EHADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1c(Cl)cccc1Cl ZINC000736026791 599423788 /nfs/dbraw/zinc/42/37/88/599423788.db2.gz RIJQTGWHMVKFSU-SECBINFHSA-N -1 1 349.225 3.784 20 0 EHADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1c(Cl)cccc1Cl ZINC000736026791 599423789 /nfs/dbraw/zinc/42/37/89/599423789.db2.gz RIJQTGWHMVKFSU-SECBINFHSA-N -1 1 349.225 3.784 20 0 EHADMM Cc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)s1 ZINC000822229497 599490532 /nfs/dbraw/zinc/49/05/32/599490532.db2.gz VYFDKGXAYHWIPO-LLVKDONJSA-N -1 1 336.424 3.958 20 0 EHADMM Cc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)s1 ZINC000822229497 599490534 /nfs/dbraw/zinc/49/05/34/599490534.db2.gz VYFDKGXAYHWIPO-LLVKDONJSA-N -1 1 336.424 3.958 20 0 EHADMM Cc1ccc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000822233875 599562545 /nfs/dbraw/zinc/56/25/45/599562545.db2.gz XCHOIPWWNJYOLN-INIZCTEOSA-N -1 1 346.394 3.658 20 0 EHADMM Cc1ccc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000822233875 599562548 /nfs/dbraw/zinc/56/25/48/599562548.db2.gz XCHOIPWWNJYOLN-INIZCTEOSA-N -1 1 346.394 3.658 20 0 EHADMM O=C([O-])c1coc(CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000740268215 599848728 /nfs/dbraw/zinc/84/87/28/599848728.db2.gz DVANPFKLVIZMLO-UHFFFAOYSA-N -1 1 340.354 3.888 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1csc(-c2ccccc2F)n1 ZINC000650506615 599874144 /nfs/dbraw/zinc/87/41/44/599874144.db2.gz SGJQBOSLQQKBFF-ZDUSSCGKSA-N -1 1 334.416 3.778 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)c(OC)c1 ZINC000583757986 600049023 /nfs/dbraw/zinc/04/90/23/600049023.db2.gz OZGNCPUGYZFSGZ-QGZVFWFLSA-N -1 1 345.395 3.641 20 0 EHADMM CC(C)N(CCC(=O)[O-])Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000736467884 600608416 /nfs/dbraw/zinc/60/84/16/600608416.db2.gz IUNTXNVDVPCORE-UHFFFAOYSA-N -1 1 338.404 3.759 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000652404273 600629614 /nfs/dbraw/zinc/62/96/14/600629614.db2.gz BWSGGGIFENFSBL-UHFFFAOYSA-N -1 1 347.361 3.706 20 0 EHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(OC(F)F)cc1 ZINC000827718594 600735432 /nfs/dbraw/zinc/73/54/32/600735432.db2.gz WMXAWSKEKMMVDM-MEBBXXQBSA-N -1 1 339.313 3.904 20 0 EHADMM COc1ccc2ccccc2c1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000832504907 600736070 /nfs/dbraw/zinc/73/60/70/600736070.db2.gz YOKSNZOHOPRFFD-LJQANCHMSA-N -1 1 339.366 3.903 20 0 EHADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1OC(C)C ZINC000426832549 600736396 /nfs/dbraw/zinc/73/63/96/600736396.db2.gz IFROLEJINZMJCY-GOSISDBHSA-N -1 1 347.386 3.537 20 0 EHADMM COc1ccccc1-c1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000756284801 600809576 /nfs/dbraw/zinc/80/95/76/600809576.db2.gz HRFXONYZEAQKCF-UHFFFAOYSA-N -1 1 337.375 3.943 20 0 EHADMM O=C([O-])c1ccc(OCCN2CCC[C@H]2c2ccco2)c(Cl)c1 ZINC000580085662 600830391 /nfs/dbraw/zinc/83/03/91/600830391.db2.gz XREMTGYRUDNWGD-AWEZNQCLSA-N -1 1 335.787 3.847 20 0 EHADMM CO[C@H](C)CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C(C)C ZINC000831492698 600832342 /nfs/dbraw/zinc/83/23/42/600832342.db2.gz DCXDLDFFPIDNJM-CYBMUJFWSA-N -1 1 348.468 3.754 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccccc2OCC(F)(F)F)cc1 ZINC000426702728 600982402 /nfs/dbraw/zinc/98/24/02/600982402.db2.gz HRNXFOSSGZRPPU-UHFFFAOYSA-N -1 1 339.313 3.616 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(CCOC)[C@@H](C)c1ccccc1 ZINC000830363544 601415059 /nfs/dbraw/zinc/41/50/59/601415059.db2.gz UQBRTQLYXQNTBH-AWEZNQCLSA-N -1 1 331.412 3.750 20 0 EHADMM CCOc1cc(C)ccc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830045035 601643869 /nfs/dbraw/zinc/64/38/69/601643869.db2.gz UWFOPATVWAHQFE-KRWDZBQOSA-N -1 1 333.815 3.963 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000826052548 601656615 /nfs/dbraw/zinc/65/66/15/601656615.db2.gz GSFZLYNJZJKEHJ-MLGOLLRUSA-N -1 1 332.469 3.992 20 0 EHADMM COc1ccc(-c2n[nH]c(SCc3ccsc3C(=O)[O-])n2)cc1 ZINC000832133858 601807206 /nfs/dbraw/zinc/80/72/06/601807206.db2.gz CMVZPRKZWFQPQN-UHFFFAOYSA-N -1 1 347.421 3.532 20 0 EHADMM Cc1ccc(C=Cc2n[nH]c(SCc3ccsc3C(=O)[O-])n2)o1 ZINC000832927738 601809007 /nfs/dbraw/zinc/80/90/07/601809007.db2.gz ATNAXXYJUFPWIC-SNAWJCMRSA-N -1 1 347.421 3.929 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccsc1C(=O)[O-] ZINC000828508568 601825533 /nfs/dbraw/zinc/82/55/33/601825533.db2.gz FXCVNARSHTYMOS-IOASZLSFSA-N -1 1 331.437 3.797 20 0 EHADMM COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)c1 ZINC000577737598 601938117 /nfs/dbraw/zinc/93/81/17/601938117.db2.gz ZBOKTHOSCZLESO-OAHLLOKOSA-N -1 1 347.436 3.801 20 0 EHADMM CN(Cc1cc(Cl)cn1C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830805803 601963942 /nfs/dbraw/zinc/96/39/42/601963942.db2.gz AEDCJRIITAFVMR-CQSZACIVSA-N -1 1 327.211 3.590 20 0 EHADMM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccccc2Cl)C(=O)[O-])c1 ZINC000832049175 602163457 /nfs/dbraw/zinc/16/34/57/602163457.db2.gz FIIBJAXCZQIJJJ-GTNSWQLSSA-N -1 1 349.814 3.834 20 0 EHADMM CC[C@H](c1ccc(F)cc1F)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739275750 602865449 /nfs/dbraw/zinc/86/54/49/602865449.db2.gz BIMXKHBBNXTZMC-MEDUHNTESA-N -1 1 326.387 3.784 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830937185 604238584 /nfs/dbraw/zinc/23/85/84/604238584.db2.gz UHZDISHEGVWTDR-YPMHNXCESA-N -1 1 349.456 3.580 20 0 EHADMM C[C@H](c1ccccc1F)N(C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833539172 604532581 /nfs/dbraw/zinc/53/25/81/604532581.db2.gz XLGSWPHSHUUSRY-KGLIPLIRSA-N -1 1 331.387 3.871 20 0 EHADMM O=C([O-])[C@@H](Nc1ccc(N2CCCCCC2)cc1)c1cccnc1 ZINC000833168901 605000131 /nfs/dbraw/zinc/00/01/31/605000131.db2.gz GCGOSPIFJCPHPJ-SFHVURJKSA-N -1 1 325.412 3.700 20 0 EHADMM C[C@@H](Oc1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000833540548 605115548 /nfs/dbraw/zinc/11/55/48/605115548.db2.gz MJDYTSCAVFFHRI-VXGBXAGGSA-N -1 1 335.350 3.668 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2ccc(NC(=O)[O-])nc2)cc1 ZINC000829332339 605494669 /nfs/dbraw/zinc/49/46/69/605494669.db2.gz QPDZQKTVLDLBEO-INIZCTEOSA-N -1 1 327.384 3.517 20 0 EHADMM O=C([O-])Nc1ccccc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000834270074 605540943 /nfs/dbraw/zinc/54/09/43/605540943.db2.gz JZTJTPVRGVHGBI-UHFFFAOYSA-N -1 1 346.293 3.843 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC000833732671 605830870 /nfs/dbraw/zinc/83/08/70/605830870.db2.gz OBHIYDUNQOHGNM-SFHVURJKSA-N -1 1 329.371 3.870 20 0 EHADMM CCOc1cc(Cl)ccc1CNCc1ccc(NC(=O)[O-])nc1 ZINC000833862471 605913155 /nfs/dbraw/zinc/91/31/55/605913155.db2.gz XDGHRGULOHIHIN-UHFFFAOYSA-N -1 1 335.791 3.513 20 0 EHADMM FC(F)(F)Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822718157 606422430 /nfs/dbraw/zinc/42/24/30/606422430.db2.gz AOGKVCXSOAMCCA-UHFFFAOYSA-N -1 1 339.346 3.645 20 0 EHADMM C/C=C\c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c(OC)c1 ZINC000820831680 606439950 /nfs/dbraw/zinc/43/99/50/606439950.db2.gz AXDWJQANDOLZIL-ARJAWSKDSA-N -1 1 343.774 3.749 20 0 EHADMM C/C=C\c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c(OC)c1 ZINC000820831680 606439951 /nfs/dbraw/zinc/43/99/51/606439951.db2.gz AXDWJQANDOLZIL-ARJAWSKDSA-N -1 1 343.774 3.749 20 0 EHADMM c1ccc(C[C@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)cc1 ZINC000823780960 606449678 /nfs/dbraw/zinc/44/96/78/606449678.db2.gz XHOAJQMUEMSFPM-SFHVURJKSA-N -1 1 342.406 3.658 20 0 EHADMM c1ccc(C[C@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC000823780960 606449680 /nfs/dbraw/zinc/44/96/80/606449680.db2.gz XHOAJQMUEMSFPM-SFHVURJKSA-N -1 1 342.406 3.658 20 0 EHADMM Cc1cccc([C@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000822299758 606459121 /nfs/dbraw/zinc/45/91/21/606459121.db2.gz UKRVCULKIHHHPQ-LLVKDONJSA-N -1 1 346.847 3.627 20 0 EHADMM Cc1cccc([C@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000822299758 606459123 /nfs/dbraw/zinc/45/91/23/606459123.db2.gz UKRVCULKIHHHPQ-LLVKDONJSA-N -1 1 346.847 3.627 20 0 EHADMM FC(F)(F)CCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822713926 606612110 /nfs/dbraw/zinc/61/21/10/606612110.db2.gz BUWMAPDMMLCEMX-UHFFFAOYSA-N -1 1 337.305 3.567 20 0 EHADMM FC(F)(F)CCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822713926 606612112 /nfs/dbraw/zinc/61/21/12/606612112.db2.gz BUWMAPDMMLCEMX-UHFFFAOYSA-N -1 1 337.305 3.567 20 0 EHADMM Fc1cc(Oc2snc(Cl)c2-c2nn[n-]n2)ccc1Cl ZINC000826372641 608194915 /nfs/dbraw/zinc/19/49/15/608194915.db2.gz GLUFYIMKIJWBOG-UHFFFAOYSA-N -1 1 332.147 3.561 20 0 EHADMM Cc1c(Cl)c(CN2CCC(CC(=O)[O-])CC2)nc2ccccc12 ZINC000321389875 970767814 /nfs/dbraw/zinc/76/78/14/970767814.db2.gz PSDBAWVWZHZHJE-UHFFFAOYSA-N -1 1 332.831 3.883 20 0 EHADMM O=C([O-])CC1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000321574768 970785046 /nfs/dbraw/zinc/78/50/46/970785046.db2.gz RTIPVFZLZQXLRJ-UHFFFAOYSA-N -1 1 334.803 3.682 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)nc1Cl)c1ccccc1 ZINC001602171198 971161354 /nfs/dbraw/zinc/16/13/54/971161354.db2.gz WXLHLDVXXHKJPZ-LBPRGKRZSA-N -1 1 344.720 3.669 20 0 EHADMM Cc1nc(C(F)(F)F)c(CN2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000563218485 953598310 /nfs/dbraw/zinc/59/83/10/953598310.db2.gz ZFCVOVIKAQHDBP-SNVBAGLBSA-N -1 1 336.379 3.547 20 0 EHADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC001594806383 953781761 /nfs/dbraw/zinc/78/17/61/953781761.db2.gz KCNRAZMYGLSYLS-UONOGXRCSA-N -1 1 341.411 3.660 20 0 EHADMM CC(=O)c1csc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1 ZINC000182122396 1032066236 /nfs/dbraw/zinc/06/62/36/1032066236.db2.gz FSLNCSHGZFQXCN-UHFFFAOYSA-N -1 1 335.435 3.783 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(Cl)ccc1Br ZINC000090252752 958096393 /nfs/dbraw/zinc/09/63/93/958096393.db2.gz YVAUUMPBDYZZFN-LBPRGKRZSA-N -1 1 346.652 3.932 20 0 EHADMM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1cccc(Cl)c1C ZINC000128299319 958654674 /nfs/dbraw/zinc/65/46/74/958654674.db2.gz MTVOCPMEGUIERV-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM O=C([O-])c1sccc1CNCc1cc(Br)ccc1F ZINC000236480969 960667976 /nfs/dbraw/zinc/66/79/76/960667976.db2.gz WVSXIRSADITYHX-UHFFFAOYSA-N -1 1 344.205 3.638 20 0 EHADMM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(Oc2ccccc2)o1 ZINC001262157308 960788931 /nfs/dbraw/zinc/78/89/31/960788931.db2.gz ARVWXKIMUCPEDI-GFCCVEGCSA-N -1 1 329.274 3.567 20 0 EHADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)s1 ZINC000238025267 961081002 /nfs/dbraw/zinc/08/10/02/961081002.db2.gz LKRSIXFJIDELMI-UHFFFAOYSA-N -1 1 341.392 3.842 20 0 EHADMM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC1 ZINC000262738632 961838896 /nfs/dbraw/zinc/83/88/96/961838896.db2.gz VVOJJZKZFKVKKV-JOCQHMNTSA-N -1 1 341.411 3.660 20 0 EHADMM C[C@H]1CCN(Cc2cc(Cl)ccc2Br)[C@@H](C(=O)[O-])C1 ZINC000311585142 963493797 /nfs/dbraw/zinc/49/37/97/963493797.db2.gz PLTFLNHWCRKASL-TVQRCGJNSA-N -1 1 346.652 3.788 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(Cl)ccc1OC(F)F ZINC000315101550 963856314 /nfs/dbraw/zinc/85/63/14/963856314.db2.gz ODDZABHFJQGCHR-LBPRGKRZSA-N -1 1 333.762 3.771 20 0 EHADMM C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000302485783 967914981 /nfs/dbraw/zinc/91/49/81/967914981.db2.gz IDDAYFBXBDAAJA-KOLCDFICSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@@H]1CN(Cc2ccc(Cl)c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000302485783 967914985 /nfs/dbraw/zinc/91/49/85/967914985.db2.gz IDDAYFBXBDAAJA-KOLCDFICSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000584172168 968480893 /nfs/dbraw/zinc/48/08/93/968480893.db2.gz AYUXTVDSCWAOPE-IJLUTSLNSA-N -1 1 337.370 3.535 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000652497158 968636243 /nfs/dbraw/zinc/63/62/43/968636243.db2.gz NGDSPGMZYQBMLT-IJLUTSLNSA-N -1 1 337.370 3.535 20 0 EHADMM Cc1ccc(CN(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)s1 ZINC000904193538 969600429 /nfs/dbraw/zinc/60/04/29/969600429.db2.gz IPNCIEDQICDDEI-UHFFFAOYSA-N -1 1 348.468 3.583 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCCCS2)c1 ZINC000341559048 1022330468 /nfs/dbraw/zinc/33/04/68/1022330468.db2.gz ICPRIOLPCQIGRP-NSHDSACASA-N -1 1 330.247 3.687 20 0 EHADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc(C(C)C)c1 ZINC000318474043 970436885 /nfs/dbraw/zinc/43/68/85/970436885.db2.gz YRWAKQXYSPPKEP-UHFFFAOYSA-N -1 1 339.438 3.679 20 0 EHADMM COCCC1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000530164524 974359051 /nfs/dbraw/zinc/35/90/51/974359051.db2.gz QRVKKIGSZPJKTB-HNNXBMFYSA-N -1 1 346.254 3.868 20 0 EHADMM Cc1cc(Br)c(CN2CC[C@H](C(=O)[O-])[C@@H]2C)cc1Cl ZINC000530166798 974359935 /nfs/dbraw/zinc/35/99/35/974359935.db2.gz VGNXXZJMDVCZTM-ONGXEEELSA-N -1 1 346.652 3.706 20 0 EHADMM CCOc1cccc(F)c1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603875986 974378102 /nfs/dbraw/zinc/37/81/02/974378102.db2.gz QHNUKDYPVCXIPP-PBHICJAKSA-N -1 1 329.371 3.627 20 0 EHADMM C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2)[C@H](C(=O)[O-])C1 ZINC000566367791 974611486 /nfs/dbraw/zinc/61/14/86/974611486.db2.gz RHRIEJHCVUVQJZ-ZANVPECISA-N -1 1 346.652 3.788 20 0 EHADMM CSC1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000601965791 975013389 /nfs/dbraw/zinc/01/33/89/975013389.db2.gz ZBWZFZXADROBCQ-ZDUSSCGKSA-N -1 1 334.268 3.947 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3C)[nH]n2)cc1 ZINC000621575478 975037744 /nfs/dbraw/zinc/03/77/44/975037744.db2.gz XZHAJLGRXVDWIN-UHFFFAOYSA-N -1 1 335.363 3.644 20 0 EHADMM O=C([O-])c1ccc(OCCN2CCCC(F)(F)CC2)c(Cl)c1 ZINC000629367586 975085374 /nfs/dbraw/zinc/08/53/74/975085374.db2.gz AOIDULYMSUTYHX-UHFFFAOYSA-N -1 1 333.762 3.538 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(CCc2ccccc2)n1 ZINC000579717701 1014252011 /nfs/dbraw/zinc/25/20/11/1014252011.db2.gz HIRDLJPLSGSKKG-GOEBONIOSA-N -1 1 344.480 3.613 20 0 EHADMM CCc1ccc([C@H]2CN(Cc3ccccc3C(=O)[O-])CCO2)cc1 ZINC000652436774 975532376 /nfs/dbraw/zinc/53/23/76/975532376.db2.gz YTZJAUOCFYGLGG-LJQANCHMSA-N -1 1 325.408 3.521 20 0 EHADMM CC(C)Oc1ccc(CNCc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001591775203 975917669 /nfs/dbraw/zinc/91/76/69/975917669.db2.gz LTWRCAHUULHVMK-UHFFFAOYSA-N -1 1 334.803 3.510 20 0 EHADMM C[C@@](CCF)(NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001592507773 978329123 /nfs/dbraw/zinc/32/91/23/978329123.db2.gz VZSWWFBQDLXCKT-INIZCTEOSA-N -1 1 325.767 3.893 20 0 EHADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc(F)c1F ZINC000547631646 1014496152 /nfs/dbraw/zinc/49/61/52/1014496152.db2.gz GDSRDKJNOXDIJS-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM O=C([O-])Cc1ccc(CNCc2ccc(CSC(F)F)o2)cc1 ZINC000901539856 980367039 /nfs/dbraw/zinc/36/70/39/980367039.db2.gz KMUNNKDPXVHRLW-UHFFFAOYSA-N -1 1 341.379 3.652 20 0 EHADMM CC[C@@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1nc(C)cs1 ZINC001595299610 980429488 /nfs/dbraw/zinc/42/94/88/980429488.db2.gz ZQJQFINMANNYBN-OAHLLOKOSA-N -1 1 341.436 3.939 20 0 EHADMM CN(C)c1ccc(/C=C/CN2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000901744191 980474190 /nfs/dbraw/zinc/47/41/90/980474190.db2.gz DNHIYBYBGJGTLQ-ONEGZZNKSA-N -1 1 336.435 3.522 20 0 EHADMM C[C@@H](Oc1ccc(CNCc2ccc(C3CC3)cc2F)cc1)C(=O)[O-] ZINC000902351953 980845609 /nfs/dbraw/zinc/84/56/09/980845609.db2.gz XCTJYETXVCQLEQ-CYBMUJFWSA-N -1 1 343.398 3.845 20 0 EHADMM Cc1ccnc(C2CCN(Cc3c(Cl)cccc3C(=O)[O-])CC2)n1 ZINC000903963419 981079008 /nfs/dbraw/zinc/07/90/08/981079008.db2.gz ZPLMAXKJGWFHFQ-UHFFFAOYSA-N -1 1 345.830 3.516 20 0 EHADMM CC[C@@H]1CN([C@@H](C)c2nc(C(=O)[O-])co2)CC[C@H]1c1ccccc1 ZINC001595484522 981222706 /nfs/dbraw/zinc/22/27/06/981222706.db2.gz RQTLMAWZJRJDLE-SQWLQELKSA-N -1 1 328.412 3.950 20 0 EHADMM CCN(CC)Cc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)o1 ZINC000909834979 981653272 /nfs/dbraw/zinc/65/32/72/981653272.db2.gz PKEPGIWADUVVBO-CYBMUJFWSA-N -1 1 344.411 3.562 20 0 EHADMM CCCCC[C@@H]1CCCCN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595691111 982204970 /nfs/dbraw/zinc/20/49/70/982204970.db2.gz ZTXKAFGLHXKWQT-OAHLLOKOSA-N -1 1 334.460 3.947 20 0 EHADMM O=C([O-])C12CCC(C(=O)Nc3cc(Cl)c(O)cc3F)(CC1)CC2 ZINC000911420775 982425034 /nfs/dbraw/zinc/42/50/34/982425034.db2.gz DQXZFYJDYBNZEC-UHFFFAOYSA-N -1 1 341.766 3.548 20 0 EHADMM CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001596362713 983841384 /nfs/dbraw/zinc/84/13/84/983841384.db2.gz KICSTVUFWFTXBW-GFCCVEGCSA-N -1 1 333.384 3.578 20 0 EHADMM CCN(Cc1ccc(OC)cc1OC)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001596362713 983841392 /nfs/dbraw/zinc/84/13/92/983841392.db2.gz KICSTVUFWFTXBW-GFCCVEGCSA-N -1 1 333.384 3.578 20 0 EHADMM CCNc1ccccc1CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001596505059 984262171 /nfs/dbraw/zinc/26/21/71/984262171.db2.gz XPUOIPVAZOBSGP-UHFFFAOYSA-N -1 1 328.387 3.514 20 0 EHADMM Cc1[nH]c(C(=O)CN(CC(C)(C)C)CC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599943788 985490093 /nfs/dbraw/zinc/49/00/93/985490093.db2.gz FKRQKAJOMRJRMK-UHFFFAOYSA-N -1 1 336.476 3.907 20 0 EHADMM CCc1ccc(CN(Cc2snc(OC)c2C(=O)[O-])C2CC2)cc1 ZINC001597526378 988172998 /nfs/dbraw/zinc/17/29/98/988172998.db2.gz ZCYSHLCPYSFVOX-UHFFFAOYSA-N -1 1 346.452 3.577 20 0 EHADMM CCc1ccc(N2CCN([C@@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)cc1 ZINC001597534950 988201737 /nfs/dbraw/zinc/20/17/37/988201737.db2.gz DTYJMCHIUMDKAY-HNNXBMFYSA-N -1 1 342.439 3.732 20 0 EHADMM CCc1ccc2c(c1)CCN(Cc1ccccc1O[C@H](C)C(=O)[O-])C2 ZINC001597568751 988327164 /nfs/dbraw/zinc/32/71/64/988327164.db2.gz HPWBDXACGKAHRI-OAHLLOKOSA-N -1 1 339.435 3.659 20 0 EHADMM CSc1ccc(F)cc1CN[C@@H](C)c1ccccc1OCC(=O)[O-] ZINC001599813966 988388501 /nfs/dbraw/zinc/38/85/01/988388501.db2.gz CHEUIKQKOZAGAH-LBPRGKRZSA-N -1 1 349.427 3.862 20 0 EHADMM CCc1nc2cc(CNCc3ccoc3C(=O)[O-])ccc2n1C1CC1 ZINC001597691512 988883597 /nfs/dbraw/zinc/88/35/97/988883597.db2.gz VJLNGEKLWLDLQI-UHFFFAOYSA-N -1 1 339.395 3.515 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000153492096 1125504609 /nfs/dbraw/zinc/50/46/09/1125504609.db2.gz FZDWONGTRBKXIV-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC001597761611 989189532 /nfs/dbraw/zinc/18/95/32/989189532.db2.gz MDKQLJSYBCIQKS-QGZVFWFLSA-N -1 1 343.423 3.721 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@@](F)(c2ccccc2C)C1 ZINC001597762700 989199449 /nfs/dbraw/zinc/19/94/49/989199449.db2.gz JPSAXIRBIROMOQ-IBGZPJMESA-N -1 1 331.387 3.919 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2ccccc2)CC1 ZINC001597766662 989216514 /nfs/dbraw/zinc/21/65/14/989216514.db2.gz ZUEKVBDXXMLIGG-KRWDZBQOSA-N -1 1 329.396 3.504 20 0 EHADMM C[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])c3n2CCCC3)c2ccccc2O1 ZINC001599871216 989352300 /nfs/dbraw/zinc/35/23/00/989352300.db2.gz SDNGFBJUUHRSDH-CXAGYDPISA-N -1 1 340.423 3.525 20 0 EHADMM CN(CCOc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1F ZINC001598499476 992412098 /nfs/dbraw/zinc/41/20/98/992412098.db2.gz NUUMSNSLKGHMNM-UHFFFAOYSA-N -1 1 337.778 3.688 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1csc(C(=O)[O-])c1)[C@@H]2C ZINC001599625236 994139173 /nfs/dbraw/zinc/13/91/73/994139173.db2.gz BSNFUWYMSMAWCH-NWDGAFQWSA-N -1 1 331.437 3.963 20 0 EHADMM C[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1OC(F)F ZINC001593194702 994139259 /nfs/dbraw/zinc/13/92/59/994139259.db2.gz LSXHUXLYTIHIIJ-ZANVPECISA-N -1 1 327.352 3.826 20 0 EHADMM COc1ccc2c(c1)C[C@@H](C)N(Cc1csc(C(=O)[O-])c1)[C@@H]2C ZINC001599625299 994140214 /nfs/dbraw/zinc/14/02/14/994140214.db2.gz BSNFUWYMSMAWCH-VXGBXAGGSA-N -1 1 331.437 3.963 20 0 EHADMM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccc(NC(=O)C2CC2)cc1 ZINC001593195811 994150280 /nfs/dbraw/zinc/15/02/80/994150280.db2.gz FZCJDCJLSQWKPE-NEPJUHHUSA-N -1 1 342.395 3.738 20 0 EHADMM COc1ccc2c(c1)CCC[C@H]2NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001599628878 994188397 /nfs/dbraw/zinc/18/83/97/994188397.db2.gz ZACMTGUAGZZBQU-MRXNPFEDSA-N -1 1 346.814 3.609 20 0 EHADMM C[C@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1cc(C(=O)[O-])cs1 ZINC001593208312 994224159 /nfs/dbraw/zinc/22/41/59/994224159.db2.gz AUPDXVLSXXDMJP-YVEFUNNKSA-N -1 1 341.436 3.620 20 0 EHADMM COc1cccc(-c2csc(CN(C[C@H](C)C(=O)[O-])C3CC3)n2)c1 ZINC001599638552 994325094 /nfs/dbraw/zinc/32/50/94/994325094.db2.gz CCUJRANRVGFTRP-LBPRGKRZSA-N -1 1 346.452 3.504 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000467991933 1015869059 /nfs/dbraw/zinc/86/90/59/1015869059.db2.gz BHTFJOTYZLUNSF-NXEZZACHSA-N -1 1 325.261 3.691 20 0 EHADMM C[C@@H](Oc1ccccc1CN1CCC(CC(F)(F)F)CC1)C(=O)[O-] ZINC001593644429 995961538 /nfs/dbraw/zinc/96/15/38/995961538.db2.gz KIHZCWMTOVYOPS-GFCCVEGCSA-N -1 1 345.361 3.703 20 0 EHADMM CCn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)/C=C(/C)C(C)(C)C)C1 ZINC000080076274 1016008396 /nfs/dbraw/zinc/00/83/96/1016008396.db2.gz XFBHNVZJPYBPOJ-KXXVWKPMSA-N -1 1 336.505 3.659 20 0 EHADMM C[C@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001593815875 996552115 /nfs/dbraw/zinc/55/21/15/996552115.db2.gz FZMGMZGBVPFVBY-AAEUAGOBSA-N -1 1 339.716 3.879 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN(Cc1cccc(F)c1)C(C)C ZINC001599498676 997067749 /nfs/dbraw/zinc/06/77/49/997067749.db2.gz FNKAQOBPLUQTHL-UHFFFAOYSA-N -1 1 331.387 3.943 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1Cc2ccccc2C2(CCC2)C1 ZINC001599500093 997101491 /nfs/dbraw/zinc/10/14/91/997101491.db2.gz FAAYBGOJGYRNLV-UHFFFAOYSA-N -1 1 337.419 3.831 20 0 EHADMM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1OC ZINC001599509007 997263919 /nfs/dbraw/zinc/26/39/19/997263919.db2.gz NJDUVGXBZPCWCR-YVEFUNNKSA-N -1 1 347.386 3.628 20 0 EHADMM COc1ccc([C@@H](NCc2ccc(C)cc2F)C(=O)[O-])cc1Cl ZINC001599532532 997682753 /nfs/dbraw/zinc/68/27/53/997682753.db2.gz RAQMRKFNCCLMBL-MRXNPFEDSA-N -1 1 337.778 3.712 20 0 EHADMM COc1ccc(CN(Cc2ccc(C(=O)[O-])cc2F)C2CC2)cc1 ZINC001599559958 998171914 /nfs/dbraw/zinc/17/19/14/998171914.db2.gz YGYPVOLVHNLDTD-UHFFFAOYSA-N -1 1 329.371 3.697 20 0 EHADMM COc1cc2c(cc1F)nccc2N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001599462840 998304221 /nfs/dbraw/zinc/30/42/21/998304221.db2.gz NASUANVOBNMIQU-GFCCVEGCSA-N -1 1 346.402 3.710 20 0 EHADMM COc1ccc(Cl)c(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001599576557 998453726 /nfs/dbraw/zinc/45/37/26/998453726.db2.gz ARQSKOURPLLSFI-QGZVFWFLSA-N -1 1 333.815 3.881 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ncc(-c2ccccc2F)o1 ZINC001594210988 998821363 /nfs/dbraw/zinc/82/13/63/998821363.db2.gz YGNNFHSOHYPYLB-CLLJXQQHSA-N -1 1 332.375 3.554 20 0 EHADMM C[C@H](c1ncc(C(=O)[O-])s1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC001594267416 999036759 /nfs/dbraw/zinc/03/67/59/999036759.db2.gz XLQXVCZLVANZDC-WZRBSPASSA-N -1 1 334.416 3.919 20 0 EHADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594447961 999642226 /nfs/dbraw/zinc/64/22/26/999642226.db2.gz LLVDHFJVHDDSGI-ZMZPIMSZSA-N -1 1 349.390 3.566 20 0 EHADMM CC(C)(C)C(=O)CCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000584331687 1032147063 /nfs/dbraw/zinc/14/70/63/1032147063.db2.gz ONHQNIDDKJCAGS-UHFFFAOYSA-N -1 1 329.400 3.506 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(C)(C)C)nc1 ZINC000890796508 1016896060 /nfs/dbraw/zinc/89/60/60/1016896060.db2.gz YYPZIRQNZGNAGK-UHFFFAOYSA-N -1 1 342.443 3.733 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCOC2(CCCCC2)C1 ZINC000180600294 1016911479 /nfs/dbraw/zinc/91/14/79/1016911479.db2.gz DZMQMKYYXLEVBP-UHFFFAOYSA-N -1 1 343.345 3.586 20 0 EHADMM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc([O-])cc1F ZINC000181079377 1016913150 /nfs/dbraw/zinc/91/31/50/1016913150.db2.gz OCRZFSKWOAOPOL-UHFFFAOYSA-N -1 1 329.327 3.825 20 0 EHADMM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc([O-])cc1F ZINC000181100305 1016917321 /nfs/dbraw/zinc/91/73/21/1016917321.db2.gz MBUMTCWJUOOJQJ-UHFFFAOYSA-N -1 1 327.277 3.822 20 0 EHADMM COCCc1ccc(OCCCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340332072 1016962555 /nfs/dbraw/zinc/96/25/55/1016962555.db2.gz GYVCWXQULYNOBR-UHFFFAOYSA-N -1 1 347.386 3.518 20 0 EHADMM Cc1c2ccccc2nc(C[N@H+]2CCS[C@H](C(C)C)C2)c1C(=O)[O-] ZINC000584356248 1032192614 /nfs/dbraw/zinc/19/26/14/1032192614.db2.gz FMHCSPMSPHEIEY-KRWDZBQOSA-N -1 1 344.480 3.815 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000389554462 1032247877 /nfs/dbraw/zinc/24/78/77/1032247877.db2.gz QPQKFZQFPDCHMW-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM Cc1nc(C(=O)[N-]c2nnc(C(F)F)s2)c(-c2ccccc2)o1 ZINC000184324998 1032284989 /nfs/dbraw/zinc/28/49/89/1032284989.db2.gz HZMGGMMBRIDXIH-UHFFFAOYSA-N -1 1 336.323 3.691 20 0 EHADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000461211201 1032322366 /nfs/dbraw/zinc/32/23/66/1032322366.db2.gz TXARRYWCQSMTKK-UHFFFAOYSA-N -1 1 349.214 3.778 20 0 EHADMM O=C(Nc1cccc2c1OCC[C@H]2O)c1ccc2ccccc2c1[O-] ZINC000185276235 1032375246 /nfs/dbraw/zinc/37/52/46/1032375246.db2.gz IMWOEPQRASRIQN-QGZVFWFLSA-N -1 1 335.359 3.614 20 0 EHADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1coc(C2CCC2)n1 ZINC000683438216 1017089353 /nfs/dbraw/zinc/08/93/53/1017089353.db2.gz AGGANWAQZQPQMD-UHFFFAOYSA-N -1 1 340.408 3.637 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1 ZINC000135740006 1017554338 /nfs/dbraw/zinc/55/43/38/1017554338.db2.gz AYHKDXFKTWJMJT-UHFFFAOYSA-N -1 1 330.434 3.758 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460431634 1017809061 /nfs/dbraw/zinc/80/90/61/1017809061.db2.gz YXUDAGFLWSJXAQ-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM C[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)N1CCc2ccccc21 ZINC000656010486 1018195595 /nfs/dbraw/zinc/19/55/95/1018195595.db2.gz ASKFDXMPZQEEGF-GFCCVEGCSA-N -1 1 339.370 3.575 20 0 EHADMM O=C(Nc1ccc(OC(F)(F)F)cc1O)c1c(F)ccc([O-])c1F ZINC000580128578 1018683573 /nfs/dbraw/zinc/68/35/73/1018683573.db2.gz MQRIYWNEPFGLOQ-UHFFFAOYSA-N -1 1 349.211 3.527 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC(CCF)CC3)c2)o1 ZINC000828018747 1018884659 /nfs/dbraw/zinc/88/46/59/1018884659.db2.gz LEEXJUUIVNYEGN-UHFFFAOYSA-N -1 1 345.370 3.677 20 0 EHADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)c1 ZINC000024256497 1032803670 /nfs/dbraw/zinc/80/36/70/1032803670.db2.gz VPNOREHPKJURQS-UHFFFAOYSA-N -1 1 347.436 3.572 20 0 EHADMM COc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc(Cl)c1[O-] ZINC000428707272 1032816819 /nfs/dbraw/zinc/81/68/19/1032816819.db2.gz KKGKZDFJCQKVFZ-GFCCVEGCSA-N -1 1 349.789 3.823 20 0 EHADMM COC(=O)c1[n-]c(=N[C@@H](C)c2ccccc2C(F)(F)F)sc1C ZINC000433765857 1019592798 /nfs/dbraw/zinc/59/27/98/1019592798.db2.gz MOKMPCVPPXHWJQ-QMMMGPOBSA-N -1 1 344.358 3.852 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)cc1 ZINC000760323532 1032856754 /nfs/dbraw/zinc/85/67/54/1032856754.db2.gz REHHSQSTGVXZAD-NSHDSACASA-N -1 1 333.457 3.910 20 0 EHADMM COC(=O)c1[n-]c(=N[C@H](C)c2ccc(F)cc2Cl)sc1C ZINC000434089653 1020015384 /nfs/dbraw/zinc/01/53/84/1020015384.db2.gz ALRLPPZQHQTPSL-SSDOTTSWSA-N -1 1 328.796 3.626 20 0 EHADMM Cc1ccc([C@@H]2CCN(C(=O)c3c(F)ccc([O-])c3F)C2)c(C)c1 ZINC000580978429 1020329067 /nfs/dbraw/zinc/32/90/67/1020329067.db2.gz BWZQBHZQSSQFIK-CYBMUJFWSA-N -1 1 331.362 3.917 20 0 EHADMM Cc1occc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000581003490 1020349537 /nfs/dbraw/zinc/34/95/37/1020349537.db2.gz RAKNBYHNWSVZHT-UHFFFAOYSA-N -1 1 330.565 3.962 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000581112104 1020439718 /nfs/dbraw/zinc/43/97/18/1020439718.db2.gz OYSYJLXYOOEMRS-VXGBXAGGSA-N -1 1 338.333 3.736 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1F ZINC000055682805 1020697613 /nfs/dbraw/zinc/69/76/13/1020697613.db2.gz ROPMYWVKQHKSPC-UHFFFAOYSA-N -1 1 341.379 3.898 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cc(N2CCCC2=O)ccc1Cl ZINC000089829084 1020698640 /nfs/dbraw/zinc/69/86/40/1020698640.db2.gz AQQCDZDBHDPIKX-UHFFFAOYSA-N -1 1 348.761 3.564 20 0 EHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1 ZINC000581510431 1021031725 /nfs/dbraw/zinc/03/17/25/1021031725.db2.gz SWAJTXVEMUHNDQ-HWKANZROSA-N -1 1 344.436 3.869 20 0 EHADMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)c1 ZINC000656628099 1021059789 /nfs/dbraw/zinc/05/97/89/1021059789.db2.gz KJPFEETXPUFBQJ-CQSZACIVSA-N -1 1 349.452 3.987 20 0 EHADMM COCCCC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000684338503 1021162513 /nfs/dbraw/zinc/16/25/13/1021162513.db2.gz UQDGKNDIPJVLSL-KRWDZBQOSA-N -1 1 331.387 3.819 20 0 EHADMM C[C@H]1CC(C)(C)CN1[C@@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000573213428 1021177950 /nfs/dbraw/zinc/17/79/50/1021177950.db2.gz DHZFKYSUDNVOPE-TVQRCGJNSA-N -1 1 344.224 3.834 20 0 EHADMM COc1cc([C@H](C)NC(=O)c2c([O-])cccc2F)ccc1OC(C)C ZINC000436792412 1021236597 /nfs/dbraw/zinc/23/65/97/1021236597.db2.gz NYKOQAOZKKENRU-LBPRGKRZSA-N -1 1 347.386 3.818 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2cc3cc(F)ccc3o2)[n-]c1=O ZINC000427271494 1021270287 /nfs/dbraw/zinc/27/02/87/1021270287.db2.gz FUCGCIDQUVZOIJ-UXBLZVDNSA-N -1 1 342.326 3.805 20 0 EHADMM Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000656756062 1021277180 /nfs/dbraw/zinc/27/71/80/1021277180.db2.gz ACKLQCASWYRVAH-NEPJUHHUSA-N -1 1 335.753 3.733 20 0 EHADMM C[C@]1(C2CC2)CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCO1 ZINC000656757211 1021278928 /nfs/dbraw/zinc/27/89/28/1021278928.db2.gz MMBVPQOONJADHZ-GOSISDBHSA-N -1 1 349.427 3.740 20 0 EHADMM COC1CCC(C)(CNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436851613 1021296646 /nfs/dbraw/zinc/29/66/46/1021296646.db2.gz MLZXFUJXUOPVCH-UHFFFAOYSA-N -1 1 327.424 3.871 20 0 EHADMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000436869232 1021308581 /nfs/dbraw/zinc/30/85/81/1021308581.db2.gz JPIQZFAWXSGUFL-PBHICJAKSA-N -1 1 327.424 3.869 20 0 EHADMM CCOc1cc(-c2noc([C@@H]3[C@@H](C)C3(F)F)n2)cc(Cl)c1[O-] ZINC000436871264 1021312278 /nfs/dbraw/zinc/31/22/78/1021312278.db2.gz JSHSVKBGEDBTIS-LDWIPMOCSA-N -1 1 330.718 3.863 20 0 EHADMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1-c1ccncc1 ZINC000436870594 1021312348 /nfs/dbraw/zinc/31/23/48/1021312348.db2.gz NYSIHJGAZZOXAD-UHFFFAOYSA-N -1 1 332.359 3.584 20 0 EHADMM O=C1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)c2ccccc21 ZINC000436873126 1021313514 /nfs/dbraw/zinc/31/35/14/1021313514.db2.gz OOIWKNHXHLOQEY-ZDUSSCGKSA-N -1 1 326.739 3.814 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3ccc4c[nH]nc4c3)n2)c(Cl)c1 ZINC000436872940 1021316411 /nfs/dbraw/zinc/31/64/11/1021316411.db2.gz ODQZKWAPJRHOPP-UHFFFAOYSA-N -1 1 326.743 3.563 20 0 EHADMM O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)c1ccc([O-])cc1 ZINC000436881105 1021330812 /nfs/dbraw/zinc/33/08/12/1021330812.db2.gz VONWEXVILZVKCB-AWEZNQCLSA-N -1 1 347.823 3.582 20 0 EHADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000436891235 1021343914 /nfs/dbraw/zinc/34/39/14/1021343914.db2.gz FIJPGMUKUGFADP-QLJPJBMISA-N -1 1 337.778 3.691 20 0 EHADMM CCc1noc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436892726 1021346334 /nfs/dbraw/zinc/34/63/34/1021346334.db2.gz MJCYLLRTNFMTMJ-UHFFFAOYSA-N -1 1 345.305 3.535 20 0 EHADMM CCC[C@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C(C)C ZINC000436917314 1021371428 /nfs/dbraw/zinc/37/14/28/1021371428.db2.gz CZDNKJFRVAIQDF-NSHDSACASA-N -1 1 336.823 3.842 20 0 EHADMM CCC[C@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C(C)C ZINC000436917314 1021371443 /nfs/dbraw/zinc/37/14/43/1021371443.db2.gz CZDNKJFRVAIQDF-NSHDSACASA-N -1 1 336.823 3.842 20 0 EHADMM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436969112 1021416986 /nfs/dbraw/zinc/41/69/86/1021416986.db2.gz YJRORFIQZALPDY-SFHVURJKSA-N -1 1 339.435 3.753 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4c(c3)CCC4)no2)c1 ZINC000436958150 1021421114 /nfs/dbraw/zinc/42/11/14/1021421114.db2.gz ZSXJHMNXBYHQIX-UHFFFAOYSA-N -1 1 335.363 3.556 20 0 EHADMM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436956357 1021421183 /nfs/dbraw/zinc/42/11/83/1021421183.db2.gz QNTUUKFLIJFNJH-MOPGFXCFSA-N -1 1 337.419 3.678 20 0 EHADMM O=C(NCc1ccc(OCC2CC2)nc1)c1cc2ccccc2cc1[O-] ZINC000436958931 1021423793 /nfs/dbraw/zinc/42/37/93/1021423793.db2.gz AYOGMCYBHVPFHB-UHFFFAOYSA-N -1 1 348.402 3.659 20 0 EHADMM CCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H](CC)c1ccccc1 ZINC000436959078 1021424265 /nfs/dbraw/zinc/42/42/65/1021424265.db2.gz FEQMWVGPPFRANV-GOSISDBHSA-N -1 1 325.408 3.965 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1-c1cccc(F)c1 ZINC000437006078 1021462668 /nfs/dbraw/zinc/46/26/68/1021462668.db2.gz QCRREULXLWOCBI-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(-c2ccccc2)cc1F ZINC000607103949 1032986515 /nfs/dbraw/zinc/98/65/15/1032986515.db2.gz SVDCMKAKIXITIQ-INIZCTEOSA-N -1 1 349.427 3.804 20 0 EHADMM Cc1cccc(CN(Cc2ccco2)C(=O)c2ncc(C)cc2[O-])c1 ZINC000426435704 1021571483 /nfs/dbraw/zinc/57/14/83/1021571483.db2.gz MQIYGRHKZYGBLS-UHFFFAOYSA-N -1 1 336.391 3.840 20 0 EHADMM C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@@H]1C ZINC000091743771 1021636115 /nfs/dbraw/zinc/63/61/15/1021636115.db2.gz XUVDGTPEZXMKDQ-CHWSQXEVSA-N -1 1 348.443 4.000 20 0 EHADMM Clc1cc(Cl)c(Cl)c2nc(SCc3nn[n-]n3)oc21 ZINC000440603718 1021645725 /nfs/dbraw/zinc/64/57/25/1021645725.db2.gz RSLQFOOCNACBKW-UHFFFAOYSA-N -1 1 336.591 3.593 20 0 EHADMM Cn1c(NC(=O)c2ccc3ccccc3c2[O-])nc2cc(F)ccc21 ZINC000440728149 1021729980 /nfs/dbraw/zinc/72/99/80/1021729980.db2.gz LPWHHDNGHKXPIV-UHFFFAOYSA-N -1 1 335.338 3.824 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccc1)C1CCC1)c1cc(F)ccc1F ZINC000519151790 1021898844 /nfs/dbraw/zinc/89/88/44/1021898844.db2.gz GYVZBALJFQOQDD-QGZVFWFLSA-N -1 1 337.391 3.785 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@H]4CCC[C@@H]43)c2)o1 ZINC000933568691 1022175489 /nfs/dbraw/zinc/17/54/89/1022175489.db2.gz SOXNKCUUIHHLDW-DYVFJYSZSA-N -1 1 339.391 3.869 20 0 EHADMM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000187753225 1022238091 /nfs/dbraw/zinc/23/80/91/1022238091.db2.gz MLWUIVZVCQMRQU-GFCCVEGCSA-N -1 1 339.370 3.516 20 0 EHADMM O=S(=O)([N-][C@@]12C[C@@H]1CCC2)c1c(Cl)cccc1C(F)(F)F ZINC000657055699 1022376666 /nfs/dbraw/zinc/37/66/66/1022376666.db2.gz XWECDPYIQDKPMI-UFBFGSQYSA-N -1 1 339.766 3.580 20 0 EHADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000144939784 1033064229 /nfs/dbraw/zinc/06/42/29/1033064229.db2.gz VKRLCALWCIAWJU-KBXCAEBGSA-N -1 1 345.826 3.943 20 0 EHADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000112335027 1022949880 /nfs/dbraw/zinc/94/98/80/1022949880.db2.gz UDDVIQXWYBPEOQ-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM Cc1c(COc2ccccc2)cccc1NC(=O)c1cncc([O-])c1 ZINC000550276519 1022954610 /nfs/dbraw/zinc/95/46/10/1022954610.db2.gz LNTUJBHWEDEVGQ-UHFFFAOYSA-N -1 1 334.375 3.927 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC4(CCCC4)C3)c2)o1 ZINC000933781357 1022986938 /nfs/dbraw/zinc/98/69/38/1022986938.db2.gz VOHVZHMWZVBJSM-UHFFFAOYSA-N -1 1 339.391 3.871 20 0 EHADMM O=C([O-])[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000426738584 1023007814 /nfs/dbraw/zinc/00/78/14/1023007814.db2.gz XHFPIGCQLFCJAI-MRXNPFEDSA-N -1 1 341.798 3.646 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc(C)c1F ZINC000535656045 1023012618 /nfs/dbraw/zinc/01/26/18/1023012618.db2.gz QYRVBTUULNRGAX-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000476279532 1033094543 /nfs/dbraw/zinc/09/45/43/1033094543.db2.gz TZPLGUMSDWUTRM-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM O=S(=O)([N-]c1ccccc1-c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000438810170 1023020363 /nfs/dbraw/zinc/02/03/63/1023020363.db2.gz JUNJRWOFPPEOAK-UHFFFAOYSA-N -1 1 333.800 3.531 20 0 EHADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(F)ccc2F)cc1 ZINC000426761804 1023030832 /nfs/dbraw/zinc/03/08/32/1023030832.db2.gz DIFJQXRQUVTJFP-QGZVFWFLSA-N -1 1 335.350 3.669 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc3c(ccc(C)c3C)[nH]2)o1 ZINC000426769012 1023033025 /nfs/dbraw/zinc/03/30/25/1023033025.db2.gz FELICFFCMJJWRN-KRWDZBQOSA-N -1 1 326.396 3.992 20 0 EHADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000476285069 1033109759 /nfs/dbraw/zinc/10/97/59/1033109759.db2.gz QSSNBNRKXKHKGE-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1c[nH]c2cccc(F)c21 ZINC000431184243 1023413546 /nfs/dbraw/zinc/41/35/46/1023413546.db2.gz ZPQBTJQIVUJDIW-UHFFFAOYSA-N -1 1 344.289 3.525 20 0 EHADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000092429771 1023414003 /nfs/dbraw/zinc/41/40/03/1023414003.db2.gz LHSOPTDDUYFXRV-OAHLLOKOSA-N -1 1 343.810 3.923 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)c(C)c1 ZINC000132593341 1023427116 /nfs/dbraw/zinc/42/71/16/1023427116.db2.gz ANCJQYUIUCXKHC-UHFFFAOYSA-N -1 1 347.436 3.787 20 0 EHADMM C[C@H](CC(=O)[N-]OCc1ccccn1)c1ccc(Br)cc1 ZINC000909539366 1024101633 /nfs/dbraw/zinc/10/16/33/1024101633.db2.gz PRULKSYQELXFCH-GFCCVEGCSA-N -1 1 349.228 3.586 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2noc(C3CCCCC3)n2)[n-]1 ZINC000191505118 1024114564 /nfs/dbraw/zinc/11/45/64/1024114564.db2.gz ZPZXSXKLNIFPSI-UHFFFAOYSA-N -1 1 332.429 3.783 20 0 EHADMM Cc1nc(C(C)C)oc1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897821487 1033193190 /nfs/dbraw/zinc/19/31/90/1033193190.db2.gz OEEOEZXJMNYKPM-UHFFFAOYSA-N -1 1 340.379 3.601 20 0 EHADMM CCc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2OC)cc1 ZINC000277207697 1024208335 /nfs/dbraw/zinc/20/83/35/1024208335.db2.gz GXTKHMPJXOHPFF-KRWDZBQOSA-N -1 1 343.423 3.572 20 0 EHADMM COc1cccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000277291798 1024469088 /nfs/dbraw/zinc/46/90/88/1024469088.db2.gz MMGZJDRWUDXXBI-QGZVFWFLSA-N -1 1 328.412 3.519 20 0 EHADMM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(C(C)C)on3)s2)cc1 ZINC000156748761 1024561082 /nfs/dbraw/zinc/56/10/82/1024561082.db2.gz DJKAXKHQMHYDCQ-UHFFFAOYSA-N -1 1 342.424 3.801 20 0 EHADMM CCc1cc(=O)[n-]c(SC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000840207652 1024568382 /nfs/dbraw/zinc/56/83/82/1024568382.db2.gz UPLRXTCDVWVVKO-GFCCVEGCSA-N -1 1 345.251 3.877 20 0 EHADMM Cc1n[n-]c(=NCc2ccc(-c3ccc(F)cc3)s2)n1C1CC1 ZINC000340706103 1024608289 /nfs/dbraw/zinc/60/82/89/1024608289.db2.gz FXIZAKYOIIZGGT-UHFFFAOYSA-N -1 1 328.416 3.823 20 0 EHADMM C[C@H](N=c1ccc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)n[n-]1)c1ccccc1 ZINC000425273771 1024615719 /nfs/dbraw/zinc/61/57/19/1024615719.db2.gz YQHZKGYJKURXEC-JOQOYGCGSA-N -1 1 344.409 3.553 20 0 EHADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(OC)c(Cl)cc1OC ZINC000514837053 1024777931 /nfs/dbraw/zinc/77/79/31/1024777931.db2.gz LGJBJZFEFLIMJV-SNVBAGLBSA-N -1 1 335.853 3.678 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1 ZINC000514840469 1024779977 /nfs/dbraw/zinc/77/99/77/1024779977.db2.gz KIVSLNGHAVQSCM-INIZCTEOSA-N -1 1 331.437 3.554 20 0 EHADMM O=S(=O)([N-]CCC1=CCCC1)c1c(Cl)cc(F)cc1Cl ZINC000435434469 1024903874 /nfs/dbraw/zinc/90/38/74/1024903874.db2.gz YJBGADUCRYMVTG-UHFFFAOYSA-N -1 1 338.231 3.911 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000474407871 1024912974 /nfs/dbraw/zinc/91/29/74/1024912974.db2.gz DBCFBRORUWSGQY-UHFFFAOYSA-N -1 1 339.848 3.830 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)s1 ZINC000474417386 1024920569 /nfs/dbraw/zinc/92/05/69/1024920569.db2.gz WVTOHFNQPMUCKF-UHFFFAOYSA-N -1 1 325.459 3.628 20 0 EHADMM COC(=O)c1[n-]c(=N[C@@H](C)c2ccc(C(F)(F)F)cc2)sc1C ZINC000427991631 1024928278 /nfs/dbraw/zinc/92/82/78/1024928278.db2.gz KJVCNTQLWRXNPO-QMMMGPOBSA-N -1 1 344.358 3.852 20 0 EHADMM COC(=O)c1[n-]c(=N[C@H](C)c2ccc(C(F)(F)F)cc2)sc1C ZINC000427991630 1024928634 /nfs/dbraw/zinc/92/86/34/1024928634.db2.gz KJVCNTQLWRXNPO-MRVPVSSYSA-N -1 1 344.358 3.852 20 0 EHADMM O=S(=O)([N-]C(C1CC1)C1CC1)c1c(Cl)cc(F)cc1Cl ZINC000435445354 1024932188 /nfs/dbraw/zinc/93/21/88/1024932188.db2.gz WJXKFTUXMFOLDW-UHFFFAOYSA-N -1 1 338.231 3.599 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1C ZINC000435733126 1025100509 /nfs/dbraw/zinc/10/05/09/1025100509.db2.gz ASLGJKQFGIKPNU-UHFFFAOYSA-N -1 1 345.342 3.530 20 0 EHADMM CCCC(=O)Nc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000515560234 1025369174 /nfs/dbraw/zinc/36/91/74/1025369174.db2.gz DKRUDYZDHWMARY-UHFFFAOYSA-N -1 1 346.814 3.714 20 0 EHADMM CCc1cc(=O)[n-]c(SCCOc2ccc(Cl)c(F)c2)n1 ZINC000436209383 1025460852 /nfs/dbraw/zinc/46/08/52/1025460852.db2.gz XFXARNHJSSCRJR-UHFFFAOYSA-N -1 1 328.796 3.708 20 0 EHADMM CCc1cc(=O)[n-]c(SCCc2cccc(OC(F)(F)F)c2)n1 ZINC000436246226 1025494880 /nfs/dbraw/zinc/49/48/80/1025494880.db2.gz YISMNSLFURUQLH-UHFFFAOYSA-N -1 1 344.358 3.978 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)cc1C ZINC000451075357 1025500926 /nfs/dbraw/zinc/50/09/26/1025500926.db2.gz VZRIHELQTISBFQ-UHFFFAOYSA-N -1 1 329.421 3.623 20 0 EHADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000436251794 1025511157 /nfs/dbraw/zinc/51/11/57/1025511157.db2.gz KJRNLHAFADBILI-UHFFFAOYSA-N -1 1 344.480 3.937 20 0 EHADMM COc1cc(C(=O)N2C[C@@H](C)Cc3ccccc32)cc(Cl)c1[O-] ZINC000442956682 1025609380 /nfs/dbraw/zinc/60/93/80/1025609380.db2.gz PXYYFZNPFBUZNT-NSHDSACASA-N -1 1 331.799 3.893 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CCc3cc(C)ccc32)cc(Cl)c1[O-] ZINC000442945822 1025614123 /nfs/dbraw/zinc/61/41/23/1025614123.db2.gz RPBFAYOLBQDMRD-OAHLLOKOSA-N -1 1 331.799 3.780 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000442961710 1025624398 /nfs/dbraw/zinc/62/43/98/1025624398.db2.gz ZOPFBIXFZCCNJA-DGCLKSJQSA-N -1 1 325.836 3.999 20 0 EHADMM COc1cc(C(=O)N2CCC[C@@H](C(C)C)CC2)cc(Cl)c1[O-] ZINC000442980539 1025643941 /nfs/dbraw/zinc/64/39/41/1025643941.db2.gz HYGJHJBFCYGXSC-GFCCVEGCSA-N -1 1 325.836 3.953 20 0 EHADMM COc1cc(C(=O)NCCc2cc(C)cc(C)c2)cc(Cl)c1[O-] ZINC000442981972 1025644401 /nfs/dbraw/zinc/64/44/01/1025644401.db2.gz KAKRZRTYYNQFLV-UHFFFAOYSA-N -1 1 333.815 3.644 20 0 EHADMM CCC(=O)c1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000443066664 1025686471 /nfs/dbraw/zinc/68/64/71/1025686471.db2.gz RXDGJKYVAJMUGV-UHFFFAOYSA-N -1 1 333.771 3.899 20 0 EHADMM Cc1csc([C@H]([N-]S(=O)(=O)c2sccc2Cl)C2CC2)n1 ZINC000451242299 1025710402 /nfs/dbraw/zinc/71/04/02/1025710402.db2.gz IIGIMHMSUHPRCV-SNVBAGLBSA-N -1 1 348.902 3.596 20 0 EHADMM COc1cc(C(=O)N2CC[C@H](c3cccc(C)c3)C2)cc(Cl)c1[O-] ZINC000443136288 1025753099 /nfs/dbraw/zinc/75/30/99/1025753099.db2.gz YZLFDGUSNSIBHF-AWEZNQCLSA-N -1 1 345.826 3.992 20 0 EHADMM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cc(F)ccc3[O-])C2)c1 ZINC000436514667 1025809783 /nfs/dbraw/zinc/80/97/83/1025809783.db2.gz OWIFUPHXCMSYAM-SFHVURJKSA-N -1 1 335.325 3.690 20 0 EHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(OC(F)F)c1 ZINC000436527822 1025832140 /nfs/dbraw/zinc/83/21/40/1025832140.db2.gz MCZBSHQZJMELRX-VIFPVBQESA-N -1 1 325.286 3.624 20 0 EHADMM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc2ccccc2c1[O-] ZINC000436531614 1025838361 /nfs/dbraw/zinc/83/83/61/1025838361.db2.gz UFRRQAHOAOMZKT-QGZVFWFLSA-N -1 1 349.386 3.965 20 0 EHADMM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000436533294 1025840950 /nfs/dbraw/zinc/84/09/50/1025840950.db2.gz YDVWXEYZNDNLAM-IBGZPJMESA-N -1 1 349.386 3.532 20 0 EHADMM C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@@H](C)C1 ZINC000436516349 1025844413 /nfs/dbraw/zinc/84/44/13/1025844413.db2.gz UCKUDYSTOVZPLF-MNOVXSKESA-N -1 1 326.234 3.663 20 0 EHADMM O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(F)ccc1[O-] ZINC000436546553 1025849154 /nfs/dbraw/zinc/84/91/54/1025849154.db2.gz GTMNSGGVDCAGBM-UHFFFAOYSA-N -1 1 336.775 3.724 20 0 EHADMM Cc1csc(C(C)(C)NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436550443 1025855141 /nfs/dbraw/zinc/85/51/41/1025855141.db2.gz IHPCJEGTCFGUDV-UHFFFAOYSA-N -1 1 326.421 3.975 20 0 EHADMM COc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C)cc(Cl)c1[O-] ZINC000443266476 1025862477 /nfs/dbraw/zinc/86/24/77/1025862477.db2.gz CHDSFLHOHWBFCK-NSHDSACASA-N -1 1 331.799 3.641 20 0 EHADMM Cn1cc([C@@H](NC(=O)c2cc3ccccc3cc2[O-])C(C)(C)C)cn1 ZINC000436577346 1025898148 /nfs/dbraw/zinc/89/81/48/1025898148.db2.gz TXYASGAHPLLEQJ-GOSISDBHSA-N -1 1 337.423 3.796 20 0 EHADMM COCC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccco1 ZINC000436595455 1025913847 /nfs/dbraw/zinc/91/38/47/1025913847.db2.gz LRIVOCQFAMFWLI-GFCCVEGCSA-N -1 1 343.301 3.512 20 0 EHADMM O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc2ccccc2cc1[O-] ZINC000436597509 1025917228 /nfs/dbraw/zinc/91/72/28/1025917228.db2.gz VOHBKSTVHARBBS-KDOFPFPSSA-N -1 1 327.424 3.607 20 0 EHADMM CCc1nc2ccccc2n1Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000436579943 1025919882 /nfs/dbraw/zinc/91/98/82/1025919882.db2.gz YLTBEBSAPRHECX-UHFFFAOYSA-N -1 1 338.342 3.542 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)c([O-])c1 ZINC000436585032 1025923966 /nfs/dbraw/zinc/92/39/66/1025923966.db2.gz OULHOFUTPSYNHG-OAHLLOKOSA-N -1 1 341.407 3.936 20 0 EHADMM C[C@@H](O)C[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436582111 1025924338 /nfs/dbraw/zinc/92/43/38/1025924338.db2.gz CWMKXWMLEHZWRF-QAPCUYQASA-N -1 1 349.430 3.830 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCSC2(CCCCC2)C1 ZINC000436585540 1025924771 /nfs/dbraw/zinc/92/47/71/1025924771.db2.gz MJMUNAZLMVHHHM-UHFFFAOYSA-N -1 1 325.861 3.938 20 0 EHADMM CC(C)(C)OC(=O)CN(C(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000436588670 1025928699 /nfs/dbraw/zinc/92/86/99/1025928699.db2.gz IRKVRPGCLCWVIF-UHFFFAOYSA-N -1 1 345.370 3.520 20 0 EHADMM CC(C)(CO)[C@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000436604531 1025934709 /nfs/dbraw/zinc/93/47/09/1025934709.db2.gz JPWRJHLULBLXLE-MRXNPFEDSA-N -1 1 347.842 3.578 20 0 EHADMM COCCN(C[C@@H]1CC=CCC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436611161 1025946161 /nfs/dbraw/zinc/94/61/61/1025946161.db2.gz YWFBDRKIOXNVQJ-MRXNPFEDSA-N -1 1 339.435 3.990 20 0 EHADMM CC1(C2CC2)CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436612243 1025946783 /nfs/dbraw/zinc/94/67/83/1025946783.db2.gz WXKJEJMTIGXXMO-UHFFFAOYSA-N -1 1 338.245 3.807 20 0 EHADMM COc1c(C)cc(CN(C)C(=O)c2ccc(Cl)cc2[O-])cc1C ZINC000436634285 1025965201 /nfs/dbraw/zinc/96/52/01/1025965201.db2.gz GCOHOEGLDWDFQS-UHFFFAOYSA-N -1 1 333.815 3.943 20 0 EHADMM COc1ccc(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c([O-])c1 ZINC000436638376 1025968570 /nfs/dbraw/zinc/96/85/70/1025968570.db2.gz HJWJGTUKEAXEBX-UHFFFAOYSA-N -1 1 342.178 3.969 20 0 EHADMM CCOc1cc(-c2noc(-c3ccc(OC)cn3)n2)cc(Cl)c1[O-] ZINC000436654575 1025983258 /nfs/dbraw/zinc/98/32/58/1025983258.db2.gz GGRDTMVULCSQCA-UHFFFAOYSA-N -1 1 347.758 3.565 20 0 EHADMM O=C(Nc1ccccc1OC1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436670018 1026009610 /nfs/dbraw/zinc/00/96/10/1026009610.db2.gz CTCKGPORELNIBL-UHFFFAOYSA-N -1 1 325.364 3.535 20 0 EHADMM Cc1ccc(Oc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cn2)cc1 ZINC000436674354 1026018209 /nfs/dbraw/zinc/01/82/09/1026018209.db2.gz RNKLZINUGORATN-UHFFFAOYSA-N -1 1 348.358 3.709 20 0 EHADMM CSC1(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451472017 1026018954 /nfs/dbraw/zinc/01/89/54/1026018954.db2.gz JFBUKNNNNZWKOH-UHFFFAOYSA-N -1 1 347.914 3.729 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c(OC)c1 ZINC000443421848 1026019463 /nfs/dbraw/zinc/01/94/63/1026019463.db2.gz ZWHIUFVKHXWGPZ-UHFFFAOYSA-N -1 1 349.452 3.936 20 0 EHADMM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1sccc1Cl ZINC000451495937 1026038998 /nfs/dbraw/zinc/03/89/98/1026038998.db2.gz ICDKAIKTWKXXSN-UHFFFAOYSA-N -1 1 329.821 3.505 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000436661718 1026023046 /nfs/dbraw/zinc/02/30/46/1026023046.db2.gz DWUAGOGSJWQINT-QGZVFWFLSA-N -1 1 337.753 3.896 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2c(F)cccc2F)CC1 ZINC000436677398 1026028411 /nfs/dbraw/zinc/02/84/11/1026028411.db2.gz CGIXOOBISSUBAM-UHFFFAOYSA-N -1 1 335.325 3.829 20 0 EHADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436696678 1026056611 /nfs/dbraw/zinc/05/66/11/1026056611.db2.gz PVZHQHKEPKQEGG-SNVBAGLBSA-N -1 1 335.835 3.797 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@](F)(c2ccccc2F)C1 ZINC000436703960 1026065668 /nfs/dbraw/zinc/06/56/68/1026065668.db2.gz NLKOQJUQYOYFTA-KRWDZBQOSA-N -1 1 337.753 3.896 20 0 EHADMM CSc1ncc(C(=O)Nc2ccc(Cl)c(SC)c2)c(=O)[n-]1 ZINC001142246445 1026086545 /nfs/dbraw/zinc/08/65/45/1026086545.db2.gz JXFYMIYTSJUIID-UHFFFAOYSA-N -1 1 341.845 3.532 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1C ZINC000511121784 1026217884 /nfs/dbraw/zinc/21/78/84/1026217884.db2.gz OWQMUHICMXLKCJ-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1ccccc1OCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872288 1026265527 /nfs/dbraw/zinc/26/55/27/1026265527.db2.gz APKMRTDSXAQJBA-UHFFFAOYSA-N -1 1 339.313 3.528 20 0 EHADMM CCc1nc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cs1 ZINC000684874010 1026278557 /nfs/dbraw/zinc/27/85/57/1026278557.db2.gz IPNDGXCCIYOAQD-MRVPVSSYSA-N -1 1 344.358 3.921 20 0 EHADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1)c1nccs1 ZINC000684876801 1026289014 /nfs/dbraw/zinc/28/90/14/1026289014.db2.gz BPDITYBZHFBNPJ-VIFPVBQESA-N -1 1 344.358 3.743 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(F)c2ncccc12 ZINC000024578974 1026373519 /nfs/dbraw/zinc/37/35/19/1026373519.db2.gz JCKSAGSRRHFFEF-UHFFFAOYSA-N -1 1 342.395 3.663 20 0 EHADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1c(F)cccc1F ZINC000028879479 1026461098 /nfs/dbraw/zinc/46/10/98/1026461098.db2.gz HKSKPOVCDYUEOO-UHFFFAOYSA-N -1 1 331.347 3.659 20 0 EHADMM O=C([N-]c1csc(-c2ccccn2)n1)c1cc(-c2ccccn2)no1 ZINC000342643725 1026553319 /nfs/dbraw/zinc/55/33/19/1026553319.db2.gz BTMPYVCJBOSSGD-UHFFFAOYSA-N -1 1 349.375 3.507 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)c([O-])c1 ZINC000665661164 1026820629 /nfs/dbraw/zinc/82/06/29/1026820629.db2.gz JFBHIVYIANZMTI-KRWDZBQOSA-N -1 1 338.407 3.719 20 0 EHADMM Cc1nc(-c2ccc(N(C)[C@@H]3CCc4ccccc43)nc2)[n-]c(=O)c1C ZINC000301495906 1026827445 /nfs/dbraw/zinc/82/74/45/1026827445.db2.gz AYTSUUCGJUAOIF-GOSISDBHSA-N -1 1 346.434 3.985 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H](C)c1ccccc1 ZINC000531487529 1026982790 /nfs/dbraw/zinc/98/27/90/1026982790.db2.gz XZQQFKOWBJJXDY-ZIAGYGMSSA-N -1 1 329.421 3.903 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H](C)c1ccccc1 ZINC000531487527 1026982987 /nfs/dbraw/zinc/98/29/87/1026982987.db2.gz XZQQFKOWBJJXDY-KGLIPLIRSA-N -1 1 329.421 3.903 20 0 EHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000342788492 1027057653 /nfs/dbraw/zinc/05/76/53/1027057653.db2.gz YNBAJCSEFZEMSV-UHFFFAOYSA-N -1 1 335.450 3.720 20 0 EHADMM Cc1nc(-c2ccc(N3C[C@H](C)[C@H]4CCCC[C@H]43)nc2)[n-]c(=O)c1C ZINC000302160422 1027073642 /nfs/dbraw/zinc/07/36/42/1027073642.db2.gz JQTCQQPKYCQONA-JCURWCKSSA-N -1 1 338.455 3.876 20 0 EHADMM O=S(=O)([N-]C1(Cc2ccccc2)CCC1)c1cc2ccccc2o1 ZINC000531603024 1027078152 /nfs/dbraw/zinc/07/81/52/1027078152.db2.gz DXAFCRXBEFBRCS-UHFFFAOYSA-N -1 1 341.432 3.877 20 0 EHADMM CC(=O)[C@H](C)CCCCC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000419915594 1027240462 /nfs/dbraw/zinc/24/04/62/1027240462.db2.gz XURGXXDQGRSQDH-LLVKDONJSA-N -1 1 349.381 3.501 20 0 EHADMM CCN(Cc1ccccc1)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302713045 1027251727 /nfs/dbraw/zinc/25/17/27/1027251727.db2.gz DYJCLDPNDCJVBK-UHFFFAOYSA-N -1 1 334.423 3.888 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Br)cc1F ZINC000531756328 1027284813 /nfs/dbraw/zinc/28/48/13/1027284813.db2.gz NZGZJASOYFMBTO-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM CCOc1cc(C(=O)NC[C@H](SC)C(C)(C)C)cc(Cl)c1[O-] ZINC000545881565 1027459773 /nfs/dbraw/zinc/45/97/73/1027459773.db2.gz IXCDXSCVDDIIGL-ZDUSSCGKSA-N -1 1 345.892 3.952 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000048230616 1027667468 /nfs/dbraw/zinc/66/74/68/1027667468.db2.gz SOIBOEMPMWETAY-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cccc(F)c3Cl)[nH][n-]2)c1 ZINC000444782637 1028245790 /nfs/dbraw/zinc/24/57/90/1028245790.db2.gz IVOYXRVQQQTPDS-UHFFFAOYSA-N -1 1 347.752 3.991 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000057119309 1028354023 /nfs/dbraw/zinc/35/40/23/1028354023.db2.gz UZKZLQIDXYIGTL-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC(C)(C)CC(C)(C)C1 ZINC000664353067 1028473100 /nfs/dbraw/zinc/47/31/00/1028473100.db2.gz NQHSAQSUFKRSHQ-UHFFFAOYSA-N -1 1 341.455 3.600 20 0 EHADMM CCCCCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445391113 1028748363 /nfs/dbraw/zinc/74/83/63/1028748363.db2.gz IYMOJEMAUXORQU-UHFFFAOYSA-N -1 1 341.205 3.946 20 0 EHADMM CC(C)Oc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000445448675 1028780134 /nfs/dbraw/zinc/78/01/34/1028780134.db2.gz SOBXQXNZJPHBTR-UHFFFAOYSA-N -1 1 331.759 3.945 20 0 EHADMM CCOc1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445452118 1028818875 /nfs/dbraw/zinc/81/88/75/1028818875.db2.gz ADDSAMDVZYHIOD-UHFFFAOYSA-N -1 1 330.315 3.559 20 0 EHADMM COc1cc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)ccc1F ZINC000445456355 1028823521 /nfs/dbraw/zinc/82/35/21/1028823521.db2.gz NZYAWVZKEZYZLH-CLTKARDFSA-N -1 1 330.290 3.899 20 0 EHADMM COc1ccc(Cl)cc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477601 1028834900 /nfs/dbraw/zinc/83/49/00/1028834900.db2.gz DGSNSHSIEPVMLV-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM [O-]c1ccc(-c2noc(COC/C=C/c3ccccc3)n2)cc1F ZINC000445478177 1028836368 /nfs/dbraw/zinc/83/63/68/1028836368.db2.gz CPKLHTPRHAQSDB-QPJJXVBHSA-N -1 1 326.327 3.811 20 0 EHADMM CC(C)C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)N1CCCCC1=O ZINC000278082694 1028842994 /nfs/dbraw/zinc/84/29/94/1028842994.db2.gz GMUXBTMARBKVRB-CQSZACIVSA-N -1 1 347.390 3.681 20 0 EHADMM Cc1cc(Br)oc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483719 1028843510 /nfs/dbraw/zinc/84/35/10/1028843510.db2.gz UBZNAQPZQBAPKK-UHFFFAOYSA-N -1 1 339.120 3.912 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1csc(Cc2ccccc2)n1 ZINC000424258349 1028915715 /nfs/dbraw/zinc/91/57/15/1028915715.db2.gz LTCCPSXPBCLMID-KRWDZBQOSA-N -1 1 344.480 3.953 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000424258895 1028915852 /nfs/dbraw/zinc/91/58/52/1028915852.db2.gz MGOGHKFCFHNNCH-MRXNPFEDSA-N -1 1 347.846 3.745 20 0 EHADMM CCCc1nc(C)c([N-]S(=O)(=O)Cc2cccc(Cl)c2)s1 ZINC000583213258 1029273659 /nfs/dbraw/zinc/27/36/59/1029273659.db2.gz BHCGMTWQFMGFTM-UHFFFAOYSA-N -1 1 344.889 3.999 20 0 EHADMM CCOc1cc(C(=O)Nc2cc3c(cn2)CCCC3)cc(Cl)c1[O-] ZINC000428574799 1029351734 /nfs/dbraw/zinc/35/17/34/1029351734.db2.gz PWYSIVFOWVYDPK-UHFFFAOYSA-N -1 1 346.814 3.970 20 0 EHADMM Cc1nnc(C(=O)[N-]c2ccccc2SCC(F)(F)F)s1 ZINC000665923917 1029523488 /nfs/dbraw/zinc/52/34/88/1029523488.db2.gz RPYAWXTUFBLKBW-UHFFFAOYSA-N -1 1 333.360 3.753 20 0 EHADMM COc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1Br ZINC000147699583 1029596639 /nfs/dbraw/zinc/59/66/39/1029596639.db2.gz NJWLRMIHLVPTPL-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM CC(C)OCc1ccccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000583348481 1029678873 /nfs/dbraw/zinc/67/88/73/1029678873.db2.gz RAMPJSWNEJBFOT-UHFFFAOYSA-N -1 1 335.350 3.525 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2c[nH]nc2-c2nccs2)c([O-])c1 ZINC000446585582 1029712239 /nfs/dbraw/zinc/71/22/39/1029712239.db2.gz KBWNEZBKTIGTBZ-UHFFFAOYSA-N -1 1 328.397 3.615 20 0 EHADMM CC(C)(C)Sc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278242132 1029778642 /nfs/dbraw/zinc/77/86/42/1029778642.db2.gz STJRXSLBKXCSLJ-LLVKDONJSA-N -1 1 346.374 3.954 20 0 EHADMM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000446761169 1029793019 /nfs/dbraw/zinc/79/30/19/1029793019.db2.gz JDYLJYHKCQHEOX-ZDUSSCGKSA-N -1 1 331.416 3.562 20 0 EHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1C ZINC000446966343 1029868590 /nfs/dbraw/zinc/86/85/90/1029868590.db2.gz NQOFWESDJGJNTN-UHFFFAOYSA-N -1 1 327.837 3.535 20 0 EHADMM CSCc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000525535264 1029883846 /nfs/dbraw/zinc/88/38/46/1029883846.db2.gz OIKZXFYJOHMFPM-UHFFFAOYSA-N -1 1 344.461 3.899 20 0 EHADMM CC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1cccc(F)c1 ZINC000525656760 1030002928 /nfs/dbraw/zinc/00/29/28/1030002928.db2.gz ZHBNDQGNKJEDMH-LLVKDONJSA-N -1 1 327.384 3.508 20 0 EHADMM CC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1cccc(F)c1 ZINC000525656761 1030003065 /nfs/dbraw/zinc/00/30/65/1030003065.db2.gz ZHBNDQGNKJEDMH-NSHDSACASA-N -1 1 327.384 3.508 20 0 EHADMM CCCc1cc(N=C([O-])Nc2ncc(-c3ccccc3)s2)n[nH]1 ZINC000583537843 1030076058 /nfs/dbraw/zinc/07/60/58/1030076058.db2.gz JEDVYIMLRUFDPP-UHFFFAOYSA-N -1 1 327.413 3.552 20 0 EHADMM O=C(CCc1cccc(Br)c1)Nc1ccc(F)cc1[O-] ZINC000532012993 1030273238 /nfs/dbraw/zinc/27/32/38/1030273238.db2.gz XAAAZVSDJYWDMY-UHFFFAOYSA-N -1 1 338.176 3.865 20 0 EHADMM O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(F)cc1[O-] ZINC000532012327 1030274113 /nfs/dbraw/zinc/27/41/13/1030274113.db2.gz JTTRZDCBAOMKLW-UHFFFAOYSA-N -1 1 346.745 3.750 20 0 EHADMM O=S(=O)([N-]C1(C2CC2)CC1)c1c(Cl)cccc1C(F)(F)F ZINC000532113361 1030383442 /nfs/dbraw/zinc/38/34/42/1030383442.db2.gz 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341.451 3.784 20 0 EHADMM CCCOc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1OCC ZINC000530005240 1034873322 /nfs/dbraw/zinc/87/33/22/1034873322.db2.gz HHPPVTVKDNVEOX-UHFFFAOYSA-N -1 1 333.359 3.971 20 0 EHADMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cccs3)[nH]n2)c1 ZINC000472428086 1034911631 /nfs/dbraw/zinc/91/16/31/1034911631.db2.gz JKKSWWIEPPZKTJ-UHFFFAOYSA-N -1 1 333.438 3.556 20 0 EHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000530175227 1035048351 /nfs/dbraw/zinc/04/83/51/1035048351.db2.gz PCBLHFGYYFKEKW-STQMWFEESA-N -1 1 347.846 3.599 20 0 EHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(F)cc1Br ZINC000530180219 1035050556 /nfs/dbraw/zinc/05/05/56/1035050556.db2.gz VBNIMLDRYHSIJD-UWVGGRQHSA-N -1 1 344.224 3.662 20 0 EHADMM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC000571463508 1035502344 /nfs/dbraw/zinc/50/23/44/1035502344.db2.gz BBLRJYVBSWWEFN-LSDHHAIUSA-N -1 1 346.254 3.866 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCCC(C)(C)C1 ZINC000456929491 1035554803 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ZINC000666314587 1036816815 /nfs/dbraw/zinc/81/68/15/1036816815.db2.gz UNRJFZYZJIIIPG-RHSMWYFYSA-N -1 1 347.365 3.936 20 0 EHADMM CC(C)[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000103073548 1036832895 /nfs/dbraw/zinc/83/28/95/1036832895.db2.gz AMHVYGCNSUQPNN-NSHDSACASA-N -1 1 326.322 3.592 20 0 EHADMM Cc1ccc2c([n-]cc(C(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)c2=O)[nH+]1 ZINC000176520696 1037016088 /nfs/dbraw/zinc/01/60/88/1037016088.db2.gz GNACFBQAXLRJAH-GDBMZVCRSA-N -1 1 347.418 3.662 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)cnc2n1 ZINC000176520696 1037016102 /nfs/dbraw/zinc/01/61/02/1037016102.db2.gz GNACFBQAXLRJAH-GDBMZVCRSA-N -1 1 347.418 3.662 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@H]3CCCC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000462844124 1037475150 /nfs/dbraw/zinc/47/51/50/1037475150.db2.gz XKSKUEPZCCJVKX-XJKSGUPXSA-N -1 1 340.471 3.911 20 0 EHADMM C[C@H](Cc1cccs1)NC(=O)c1cc(Br)ccc1[O-] ZINC000221311154 1037865502 /nfs/dbraw/zinc/86/55/02/1037865502.db2.gz IMZXGQBBHAEDNV-SECBINFHSA-N -1 1 340.242 3.577 20 0 EHADMM O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000180245525 1038099807 /nfs/dbraw/zinc/09/98/07/1038099807.db2.gz ULSFNWWASVVRHP-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cc(Br)cnc1Cl ZINC000695493335 1038191181 /nfs/dbraw/zinc/19/11/81/1038191181.db2.gz LNLFAGPHUGGSKH-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1ccc(Cl)o1 ZINC000107165261 1038300828 /nfs/dbraw/zinc/30/08/28/1038300828.db2.gz GYTDQDUVEOKSPY-UHFFFAOYSA-N -1 1 337.763 3.767 20 0 EHADMM CCc1ccccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000125373326 1038317034 /nfs/dbraw/zinc/31/70/34/1038317034.db2.gz GKKJIKPNHMUFPH-UHFFFAOYSA-N -1 1 337.419 3.690 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c2ccccc2n1 ZINC000339129295 1038403426 /nfs/dbraw/zinc/40/34/26/1038403426.db2.gz SVNOYVWQDFZVFN-UHFFFAOYSA-N -1 1 344.374 3.891 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000538668844 1038462237 /nfs/dbraw/zinc/46/22/37/1038462237.db2.gz RRIZVMYDWRFMLN-VIFPVBQESA-N -1 1 329.409 3.702 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC2(Cl)Cl)c1 ZINC000182908797 1038650771 /nfs/dbraw/zinc/65/07/71/1038650771.db2.gz KVLAKLUTFCZJAL-ZCFIWIBFSA-N -1 1 339.016 3.595 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1CC ZINC000539191670 1038729744 /nfs/dbraw/zinc/72/97/44/1038729744.db2.gz DSMYAQLHGAXMKZ-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM CCc1nc(C(C)C)ccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000905373819 1038848218 /nfs/dbraw/zinc/84/82/18/1038848218.db2.gz BRQQOFHSIAKNSB-SFHVURJKSA-N -1 1 330.403 3.822 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2cc(C)c(OC)c(C)c2)[n-]c1=O ZINC000432707499 1038874118 /nfs/dbraw/zinc/87/41/18/1038874118.db2.gz NHBGNZXVSVLCAT-LCYFTJDESA-N -1 1 342.395 3.545 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000488233935 1038990191 /nfs/dbraw/zinc/99/01/91/1038990191.db2.gz QQRUVPGUGAQBEG-UHFFFAOYSA-N -1 1 333.409 3.557 20 0 EHADMM Cc1c(Cl)cccc1CN1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000905738670 1039074644 /nfs/dbraw/zinc/07/46/44/1039074644.db2.gz GNNHRWIGUTTYEB-UHFFFAOYSA-N -1 1 335.753 3.878 20 0 EHADMM CC(C)CCn1cccc1CN1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000905740543 1039077720 /nfs/dbraw/zinc/07/77/20/1039077720.db2.gz SWPLBAMRSSCTQS-UHFFFAOYSA-N -1 1 346.393 3.763 20 0 EHADMM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000488371149 1039126631 /nfs/dbraw/zinc/12/66/31/1039126631.db2.gz XHTGBTZCHDCOAF-NXEZZACHSA-N -1 1 338.333 3.752 20 0 EHADMM CCOc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1Cl ZINC000552312701 1039160984 /nfs/dbraw/zinc/16/09/84/1039160984.db2.gz RKHXXCQOHNRNHF-UHFFFAOYSA-N -1 1 341.741 3.653 20 0 EHADMM CC[C@H](C)c1nc(C)c(CC(=O)Nc2cc(F)cc(F)c2[O-])c(C)n1 ZINC000910987784 1039181417 /nfs/dbraw/zinc/18/14/17/1039181417.db2.gz WCFMDEBPBYQECX-VIFPVBQESA-N -1 1 349.381 3.772 20 0 EHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H](c1ccncc1)C1CCCC1 ZINC000910986417 1039182458 /nfs/dbraw/zinc/18/24/58/1039182458.db2.gz MFSNRFWBDQSFDF-INIZCTEOSA-N -1 1 332.350 3.978 20 0 EHADMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000488756137 1039374108 /nfs/dbraw/zinc/37/41/08/1039374108.db2.gz AHJUINNGUKGAHH-UHFFFAOYSA-N -1 1 339.407 3.529 20 0 EHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3cccc4ncccc43)c2)c1 ZINC000614080473 1039634630 /nfs/dbraw/zinc/63/46/30/1039634630.db2.gz CIBVPIZFJQMYIU-UHFFFAOYSA-N -1 1 329.359 3.666 20 0 EHADMM CC(C)CCOc1ccccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912047239 1039662099 /nfs/dbraw/zinc/66/20/99/1039662099.db2.gz LIAVMPLXWODSJP-UHFFFAOYSA-N -1 1 341.411 3.737 20 0 EHADMM Cc1cccc(CO[N-]C(=O)C2(Cc3ccccc3Cl)CC2)n1 ZINC000898932140 1039736385 /nfs/dbraw/zinc/73/63/85/1039736385.db2.gz HQHGZVGWEPHJKH-UHFFFAOYSA-N -1 1 330.815 3.614 20 0 EHADMM CCC1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC1 ZINC000479223136 1040043901 /nfs/dbraw/zinc/04/39/01/1040043901.db2.gz JCJVDYBCIKBWHL-UHFFFAOYSA-N -1 1 341.782 3.970 20 0 EHADMM C[C@@H]1C[C@@H](C)N(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000486413505 1040115276 /nfs/dbraw/zinc/11/52/76/1040115276.db2.gz BKBHSBCJZZRWKQ-NXEZZACHSA-N -1 1 349.228 3.573 20 0 EHADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)CCc3ccccc3F)n2)o1 ZINC000479461576 1040259757 /nfs/dbraw/zinc/25/97/57/1040259757.db2.gz BRFMQMWEZWDEQY-NSHDSACASA-N -1 1 342.374 3.720 20 0 EHADMM CC[C@@H](NC(=O)N=c1[n-]sc2ccccc21)c1c(C)noc1C ZINC000640342661 1040263344 /nfs/dbraw/zinc/26/33/44/1040263344.db2.gz PJVOQPCWRGLWDP-GFCCVEGCSA-N -1 1 330.413 3.596 20 0 EHADMM CCCN(C)c1ccccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000629354093 1040289691 /nfs/dbraw/zinc/28/96/91/1040289691.db2.gz DUGXRVBMHKRPTQ-UHFFFAOYSA-N -1 1 346.452 3.536 20 0 EHADMM C/C=C(\CC)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000190126748 1040345551 /nfs/dbraw/zinc/34/55/51/1040345551.db2.gz SAKJPWOSGFODEO-LZWSPWQCSA-N -1 1 344.436 3.782 20 0 EHADMM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(-c2ncncc2Cl)c1=O ZINC000899351107 1040372134 /nfs/dbraw/zinc/37/21/34/1040372134.db2.gz ZSLAWDRRYBIPNE-CYBMUJFWSA-N -1 1 349.221 3.807 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(CSC)cc2)[n-]c1=O ZINC000899367759 1040399301 /nfs/dbraw/zinc/39/93/01/1040399301.db2.gz ABIPTORPUMJSIT-FMIVXFBMSA-N -1 1 344.436 3.782 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1cc2ccccc2o1 ZINC000555403322 1040540525 /nfs/dbraw/zinc/54/05/25/1040540525.db2.gz LLIFJAQAMDWTFO-OAHLLOKOSA-N -1 1 349.452 3.593 20 0 EHADMM CC(C)[C@@H](C(=O)Nc1cccc([O-])c1Br)c1cccnc1 ZINC000908707357 1040602021 /nfs/dbraw/zinc/60/20/21/1040602021.db2.gz DSLCGGIQCJMTTR-CQSZACIVSA-N -1 1 349.228 3.928 20 0 EHADMM C[C@@H]1C[N@@H+](Cc2cccc(O)c2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600195981 1040809292 /nfs/dbraw/zinc/80/92/92/1040809292.db2.gz LJTKGHCTARXRLP-OCCSQVGLSA-N -1 1 339.863 3.845 20 0 EHADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)c(C)n1CC(F)(F)F ZINC000909973725 1041087509 /nfs/dbraw/zinc/08/75/09/1041087509.db2.gz AICISAQPVCSWNF-UHFFFAOYSA-N -1 1 348.271 3.903 20 0 EHADMM Cc1ccc(C2(C(=O)Nc3cc([O-])c(F)cc3F)CCOCC2)cc1 ZINC000909981461 1041107849 /nfs/dbraw/zinc/10/78/49/1041107849.db2.gz QJXZSRDZHPXODB-UHFFFAOYSA-N -1 1 347.361 3.666 20 0 EHADMM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cc([O-])c(F)cc2F)c(C)n1 ZINC000909988345 1041121050 /nfs/dbraw/zinc/12/10/50/1041121050.db2.gz GIJNTGXLDLBICD-SECBINFHSA-N -1 1 349.381 3.772 20 0 EHADMM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000109889125 1041503807 /nfs/dbraw/zinc/50/38/07/1041503807.db2.gz JSFODQCHXJGGBH-UHFFFAOYSA-N -1 1 348.362 3.684 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)n[nH]1 ZINC000313469653 1041986138 /nfs/dbraw/zinc/98/61/38/1041986138.db2.gz NNXRWCCDMMOUGT-FPLPWBNLSA-N -1 1 325.821 3.599 20 0 EHADMM CCC(CC)c1cc(CNC(=O)Cc2ccc([O-])c(Cl)c2)on1 ZINC000631505656 1042573750 /nfs/dbraw/zinc/57/37/50/1042573750.db2.gz RMRBLINSCCXZFH-UHFFFAOYSA-N -1 1 336.819 3.796 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cccc(F)c1OC(F)F ZINC000662215598 1042609183 /nfs/dbraw/zinc/60/91/83/1042609183.db2.gz NUYZHKPMDNKTRD-LBPRGKRZSA-N -1 1 331.334 3.646 20 0 EHADMM CSC1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000601689141 1042624091 /nfs/dbraw/zinc/62/40/91/1042624091.db2.gz FFQWNEOPDURROG-UHFFFAOYSA-N -1 1 336.844 3.561 20 0 EHADMM CCc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1CC ZINC000436739758 1044510404 /nfs/dbraw/zinc/51/04/04/1044510404.db2.gz XEDONLDJJWRSES-UHFFFAOYSA-N -1 1 326.396 3.728 20 0 EHADMM COC(=O)c1c[n-]c(SCCOc2cc(Cl)cc(Cl)c2)n1 ZINC000432669251 1044673767 /nfs/dbraw/zinc/67/37/67/1044673767.db2.gz PUQGZBIYCISENL-UHFFFAOYSA-N -1 1 347.223 3.674 20 0 EHADMM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1c(Cl)cccc1C(F)(F)F ZINC000344901730 1044676626 /nfs/dbraw/zinc/67/66/26/1044676626.db2.gz IJWNFZDHHAZACY-SFYZADRCSA-N -1 1 345.745 3.528 20 0 EHADMM COC(=O)c1c[n-]c(SCc2csc(-c3ccc(C)o3)n2)n1 ZINC000432672633 1044705764 /nfs/dbraw/zinc/70/57/64/1044705764.db2.gz YVTSRQGBKDMYPD-UHFFFAOYSA-N -1 1 335.410 3.514 20 0 EHADMM CC[C@@](C)(NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1nccs1 ZINC000153868705 1125669615 /nfs/dbraw/zinc/66/96/15/1125669615.db2.gz VYFVVPDHUWSPRJ-OAHLLOKOSA-N -1 1 340.832 3.566 20 0 EHADMM COc1cc(C(=O)[N-]c2nc(-c3ccc(C)c(C)c3)cs2)on1 ZINC000154421620 1125718566 /nfs/dbraw/zinc/71/85/66/1125718566.db2.gz GLZPOHHSBDHFBZ-UHFFFAOYSA-N -1 1 329.381 3.676 20 0 EHADMM O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc([O-])cc1F ZINC000154830353 1125758732 /nfs/dbraw/zinc/75/87/32/1125758732.db2.gz XVTSLPVYRAXJPQ-UHFFFAOYSA-N -1 1 329.249 3.725 20 0 EHADMM CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cncc([O-])c1 ZINC000622621468 1126736782 /nfs/dbraw/zinc/73/67/82/1126736782.db2.gz GIGAJDUJZJEVJE-SFHVURJKSA-N -1 1 332.831 3.828 20 0 EHADMM CCOc1ccc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000623172713 1126888273 /nfs/dbraw/zinc/88/82/73/1126888273.db2.gz LJNXNMCUQODXLM-UHFFFAOYSA-N -1 1 339.435 3.886 20 0 EHADMM C[S@](=O)Cc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000350810855 1127104346 /nfs/dbraw/zinc/10/43/46/1127104346.db2.gz BBZNKMINMFJLIP-QHCPKHFHSA-N -1 1 348.811 3.641 20 0 EHADMM [O-]c1ccc(-c2noc(CCCOc3cccnc3)n2)c(Cl)c1 ZINC000350820237 1127105920 /nfs/dbraw/zinc/10/59/20/1127105920.db2.gz UGLKOFHENUYZOP-UHFFFAOYSA-N -1 1 331.759 3.502 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)cc1F ZINC000350842605 1127107199 /nfs/dbraw/zinc/10/71/99/1127107199.db2.gz YYFCUBAWYQLRLG-LLVKDONJSA-N -1 1 333.344 3.556 20 0 EHADMM Cc1cccc(F)c1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000764407373 1127489796 /nfs/dbraw/zinc/48/97/96/1127489796.db2.gz BQXSHMOPEAASHU-UHFFFAOYSA-N -1 1 338.176 3.532 20 0 EHADMM C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000765493209 1127620852 /nfs/dbraw/zinc/62/08/52/1127620852.db2.gz UDRAXYAXTCNJLD-AWEZNQCLSA-N -1 1 332.831 3.581 20 0 EHADMM C[C@H](c1cccc(Cl)c1)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000765493211 1127620978 /nfs/dbraw/zinc/62/09/78/1127620978.db2.gz UDRAXYAXTCNJLD-CQSZACIVSA-N -1 1 332.831 3.581 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)c1 ZINC000011337881 1127639162 /nfs/dbraw/zinc/63/91/62/1127639162.db2.gz LRJZCPKWTLUUPF-UHFFFAOYSA-N -1 1 347.436 3.669 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1C ZINC000024578566 1127708250 /nfs/dbraw/zinc/70/82/50/1127708250.db2.gz ZNLWEEFTLOBZQZ-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccoc2C2CC2)[nH]1 ZINC000282187249 1128049097 /nfs/dbraw/zinc/04/90/97/1128049097.db2.gz KNHCISYGYPCUTG-UHFFFAOYSA-N -1 1 345.399 3.652 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000073445760 1128323502 /nfs/dbraw/zinc/32/35/02/1128323502.db2.gz ASVCMCKXGGWOJV-UHFFFAOYSA-N -1 1 349.430 3.545 20 0 EHADMM O=S(=O)([N-]C(C1CCCC1)C1CCCC1)c1cccc(F)c1F ZINC001671712129 1128461679 /nfs/dbraw/zinc/46/16/79/1128461679.db2.gz BYVXKGCWSKRACK-UHFFFAOYSA-N -1 1 343.439 3.992 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2cc(Br)ccc2F)CC1 ZINC000299744639 1128610393 /nfs/dbraw/zinc/61/03/93/1128610393.db2.gz PNYRSNCWVPMKCJ-NSHDSACASA-N -1 1 344.224 3.665 20 0 EHADMM O=C(NCCn1ccc2cc(Cl)ccc21)c1ccc([O-])c(F)c1 ZINC000672059120 1128636580 /nfs/dbraw/zinc/63/65/80/1128636580.db2.gz BPSHVBMHOSRRQK-UHFFFAOYSA-N -1 1 332.762 3.569 20 0 EHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000007428486 1128866266 /nfs/dbraw/zinc/86/62/66/1128866266.db2.gz JZQRRLBMWZNGSS-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM CC(C)(C)c1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cs1 ZINC000338754540 1128868325 /nfs/dbraw/zinc/86/83/25/1128868325.db2.gz MDISZBDPDZVDJW-UHFFFAOYSA-N -1 1 342.424 3.789 20 0 EHADMM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cccc([O-])c1F ZINC001648852463 1120054625 /nfs/dbraw/zinc/05/46/25/1120054625.db2.gz CWARPTFNCXVHMI-NSHDSACASA-N -1 1 348.443 3.775 20 0 EHADMM CC(C)(CNC(=O)c1ccc2ccccc2c1[O-])[C@H]1CCCCO1 ZINC001648853729 1120055622 /nfs/dbraw/zinc/05/56/22/1120055622.db2.gz MHIBZERJCYMUCO-QGZVFWFLSA-N -1 1 327.424 3.871 20 0 EHADMM CC1(C)C(CNC(=O)c2ccc(Br)cc2[O-])C1(C)C ZINC000092819655 1120127293 /nfs/dbraw/zinc/12/72/93/1120127293.db2.gz YVCPJEKNSDPPAA-UHFFFAOYSA-N -1 1 326.234 3.567 20 0 EHADMM COc1ccc2nc(-c3ccc(Oc4cccnc4)cc3)[n-]c(=O)c2c1 ZINC000076029732 1128899030 /nfs/dbraw/zinc/89/90/30/1128899030.db2.gz CUUIANKRAHHAHY-UHFFFAOYSA-N -1 1 345.358 3.786 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000008104473 1128902857 /nfs/dbraw/zinc/90/28/57/1128902857.db2.gz URTMXJLNGSPTOB-UHFFFAOYSA-N -1 1 340.242 3.812 20 0 EHADMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000494354455 1120536981 /nfs/dbraw/zinc/53/69/81/1120536981.db2.gz ZTIMRIFKRNEWGP-MRVPVSSYSA-N -1 1 347.761 3.879 20 0 EHADMM COc1c(F)cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000192206341 1120725077 /nfs/dbraw/zinc/72/50/77/1120725077.db2.gz OMLWNNOIVHOYQE-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM O=C(C=Cc1ccsc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000761745503 1120868013 /nfs/dbraw/zinc/86/80/13/1120868013.db2.gz IIMUIWUENWRNGW-BHQIHCQQSA-N -1 1 341.432 3.588 20 0 EHADMM COCc1nsc([N-]C(=O)c2sc3ccccc3c2Cl)n1 ZINC000784484629 1120919280 /nfs/dbraw/zinc/91/92/80/1120919280.db2.gz GIWFAJAHMIDVCN-UHFFFAOYSA-N -1 1 339.829 3.805 20 0 EHADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCCCC1 ZINC000231348463 1121029974 /nfs/dbraw/zinc/02/99/74/1121029974.db2.gz FXCURFNPDRUGNN-JTQLQIEISA-N -1 1 326.234 3.853 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccsc1 ZINC000672414227 1128971601 /nfs/dbraw/zinc/97/16/01/1128971601.db2.gz MURAOKWIPUWVAV-SSDOTTSWSA-N -1 1 337.800 3.719 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)cc1C ZINC000007060362 1121324167 /nfs/dbraw/zinc/32/41/67/1121324167.db2.gz VSICMHGJGVBSTE-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM CCOc1cc(C(=O)N[C@H](C)COc2ccccc2)cc(Cl)c1[O-] ZINC000762582466 1121365278 /nfs/dbraw/zinc/36/52/78/1121365278.db2.gz NXUFVZMVFGWULF-GFCCVEGCSA-N -1 1 349.814 3.642 20 0 EHADMM CCOc1cc(C(=O)N[C@H](c2ccccn2)C(C)C)cc(Cl)c1[O-] ZINC000762604400 1121379985 /nfs/dbraw/zinc/37/99/85/1121379985.db2.gz GCIPAFIDBHYNFL-INIZCTEOSA-N -1 1 348.830 3.966 20 0 EHADMM O=C([O-])[C@H]1C[C@H](NCc2cccc(OC3CC3)c2F)c2ccccc21 ZINC000656566555 1128985528 /nfs/dbraw/zinc/98/55/28/1128985528.db2.gz OETZYDRSWHTGNH-IRXDYDNUSA-N -1 1 341.382 3.770 20 0 EHADMM CC1=CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000496128002 1121708066 /nfs/dbraw/zinc/70/80/66/1121708066.db2.gz JOBODQXPTOYPKS-UHFFFAOYSA-N -1 1 332.400 3.531 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)c1 ZINC000055637118 1121848395 /nfs/dbraw/zinc/84/83/95/1121848395.db2.gz MKGMYPHSBJTWHE-UHFFFAOYSA-N -1 1 347.436 3.725 20 0 EHADMM O=C(Nc1ccccc1SC(F)(F)F)c1ccc(O)cc1[O-] ZINC000916057286 1122043626 /nfs/dbraw/zinc/04/36/26/1122043626.db2.gz MSEMRGXXYJAGCO-UHFFFAOYSA-N -1 1 329.299 3.962 20 0 EHADMM COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000124201658 1122278184 /nfs/dbraw/zinc/27/81/84/1122278184.db2.gz OPGQNWMNOFAHPT-OAHLLOKOSA-N -1 1 345.826 3.902 20 0 EHADMM COc1ccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c([O-])c1 ZINC000124959282 1122300988 /nfs/dbraw/zinc/30/09/88/1122300988.db2.gz LLIFASZMRLGJAD-UHFFFAOYSA-N -1 1 325.368 3.584 20 0 EHADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)N(C)C(=O)OC(C)(C)C ZINC000497087967 1122332712 /nfs/dbraw/zinc/33/27/12/1122332712.db2.gz GCPBGFONOANGGB-VIFPVBQESA-N -1 1 337.351 3.509 20 0 EHADMM CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])[C@@H]1CC1(C)C ZINC000497253611 1122420499 /nfs/dbraw/zinc/42/04/99/1122420499.db2.gz OXWANRQHQIOFKF-CQSZACIVSA-N -1 1 334.416 3.610 20 0 EHADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)n1 ZINC000126757397 1122422776 /nfs/dbraw/zinc/42/27/76/1122422776.db2.gz VXVJZVFLSFTJLO-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2Br)C1 ZINC000126816112 1122441298 /nfs/dbraw/zinc/44/12/98/1122441298.db2.gz LFDYIPKVNPUIRP-CQSZACIVSA-N -1 1 346.652 3.789 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1c(Cl)cc(Cl)cc1Cl ZINC001212229753 1122674182 /nfs/dbraw/zinc/67/41/82/1122674182.db2.gz VNBRQQCZVNUSSG-SRSLHRDFSA-N -1 1 340.659 3.724 20 0 EHADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000498215086 1122802003 /nfs/dbraw/zinc/80/20/03/1122802003.db2.gz AXHYBXNHVFRZBY-ZWNOBZJWSA-N -1 1 342.233 3.607 20 0 EHADMM Cc1nc(SC[C@@H]2CC[C@@H](C(F)(F)F)O2)[n-]c(=O)c1C1CC1 ZINC000918464320 1122814200 /nfs/dbraw/zinc/81/42/00/1122814200.db2.gz ZHTHCGNVNSHPQJ-UWVGGRQHSA-N -1 1 334.363 3.570 20 0 EHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1noc2c1CCCC2 ZINC000918683766 1122880931 /nfs/dbraw/zinc/88/09/31/1122880931.db2.gz RNOHVRUCPFRDPD-UHFFFAOYSA-N -1 1 332.429 3.705 20 0 EHADMM COCc1nc(C(=O)[N-]c2c(C)noc2-c2ccccc2)cs1 ZINC000131029734 1123032994 /nfs/dbraw/zinc/03/29/94/1123032994.db2.gz NRIYTJGFABCTRU-UHFFFAOYSA-N -1 1 329.381 3.505 20 0 EHADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](c2ccccc2)O1 ZINC000920465357 1123372194 /nfs/dbraw/zinc/37/21/94/1123372194.db2.gz WYWDMPCDBGKCQX-BLLLJJGKSA-N -1 1 331.799 3.648 20 0 EHADMM Cc1ccc2c(c1)[nH]cc2C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000920606414 1123395948 /nfs/dbraw/zinc/39/59/48/1123395948.db2.gz AVXDZAZTHSXAKI-UHFFFAOYSA-N -1 1 349.342 3.645 20 0 EHADMM CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000508890176 1123465929 /nfs/dbraw/zinc/46/59/29/1123465929.db2.gz JVFTYWABTBSFEX-CYBMUJFWSA-N -1 1 325.836 3.742 20 0 EHADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(F)c(Cl)cc1F ZINC000135075781 1123579950 /nfs/dbraw/zinc/57/99/50/1123579950.db2.gz BSNUSEACBXKMAW-UHFFFAOYSA-N -1 1 343.664 3.741 20 0 EHADMM CSc1nsc([N-]C(=O)c2csc(-c3ccc(C)cc3)n2)n1 ZINC000078427639 1123627456 /nfs/dbraw/zinc/62/74/56/1123627456.db2.gz LMBFSFUQUNTWBI-UHFFFAOYSA-N -1 1 348.478 3.944 20 0 EHADMM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cc(F)c([O-])c(F)c3)nc12 ZINC000175322792 1123661815 /nfs/dbraw/zinc/66/18/15/1123661815.db2.gz JSWOIBGHFUTFKH-WZUFQYTHSA-N -1 1 348.736 3.952 20 0 EHADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(F)cc1 ZINC000080311379 1123751086 /nfs/dbraw/zinc/75/10/86/1123751086.db2.gz DWGIAPACXMCVNL-UHFFFAOYSA-N -1 1 332.356 3.645 20 0 EHADMM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc(F)cc2[nH]cnc21 ZINC000357083223 1129170819 /nfs/dbraw/zinc/17/08/19/1129170819.db2.gz AYVUDYAXMARXCV-UHFFFAOYSA-N -1 1 340.141 3.967 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cccc1N(C)C ZINC000181156112 1124609158 /nfs/dbraw/zinc/60/91/58/1124609158.db2.gz OCKZRNCAEJWBTQ-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM COc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c([O-])c1 ZINC000247824631 1124627457 /nfs/dbraw/zinc/62/74/57/1124627457.db2.gz FITHTTLMYCQBTK-UHFFFAOYSA-N -1 1 344.367 3.916 20 0 EHADMM COc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc(Cl)c1[O-] ZINC000618054118 1124942248 /nfs/dbraw/zinc/94/22/48/1124942248.db2.gz GQISTVVBNFAXJV-ZUZCIYMTSA-N -1 1 331.799 3.512 20 0 EHADMM Fc1ccc2c(c1)N(Cn1[n-]c(-c3ccccn3)nc1=S)CCC2 ZINC000735296890 1131329249 /nfs/dbraw/zinc/32/92/49/1131329249.db2.gz DDMWXHAQZSEMFL-UHFFFAOYSA-N -1 1 341.415 3.552 20 0 EHADMM CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc([O-])cc1F ZINC000182030335 1125128185 /nfs/dbraw/zinc/12/81/85/1125128185.db2.gz PWMAHGFAAWYKLG-SFHVURJKSA-N -1 1 349.377 3.502 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC([C@@H]2CCCCO2)CC1 ZINC000619167912 1125299211 /nfs/dbraw/zinc/29/92/11/1125299211.db2.gz CABAYAAVOHFIOC-FQEVSTJZSA-N -1 1 339.435 3.967 20 0 EHADMM CSCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000066588291 1129189915 /nfs/dbraw/zinc/18/99/15/1129189915.db2.gz XKQDNARPJMHIMO-UHFFFAOYSA-N -1 1 329.393 3.629 20 0 EHADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068076176 1129339421 /nfs/dbraw/zinc/33/94/21/1129339421.db2.gz QCRZFKRQZTWAAW-UHFFFAOYSA-N -1 1 347.436 3.697 20 0 EHADMM CCc1ccc([C@H](C)CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000156892575 1129742725 /nfs/dbraw/zinc/74/27/25/1129742725.db2.gz RQJKICSEXUGWRC-SECBINFHSA-N -1 1 326.322 3.518 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(C)c1 ZINC000171180325 1130029510 /nfs/dbraw/zinc/02/95/10/1130029510.db2.gz ZJURFAIIASEILF-UHFFFAOYSA-N -1 1 330.409 3.676 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000171329902 1130046681 /nfs/dbraw/zinc/04/66/81/1130046681.db2.gz RZIKDDSNFJQOBN-UHFFFAOYSA-N -1 1 345.342 3.653 20 0 EHADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1 ZINC000732220412 1130898924 /nfs/dbraw/zinc/89/89/24/1130898924.db2.gz PVPOGRXLGBEVRR-ZDUSSCGKSA-N -1 1 342.420 3.638 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3cccc(F)c3)o2)n1 ZINC000741845745 1131655851 /nfs/dbraw/zinc/65/58/51/1131655851.db2.gz BXLAAQMUOAYZTO-UHFFFAOYSA-N -1 1 346.387 3.616 20 0 EHADMM Cc1cc(F)c(F)cc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212689443 1131899354 /nfs/dbraw/zinc/89/93/54/1131899354.db2.gz DYXDNORRJPUDCP-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1cc(F)c(F)cc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212689443 1131899364 /nfs/dbraw/zinc/89/93/64/1131899364.db2.gz DYXDNORRJPUDCP-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM O=C([N-]c1c(F)cc(F)cc1F)c1csc(-c2ccccn2)n1 ZINC000744373217 1132079292 /nfs/dbraw/zinc/07/92/92/1132079292.db2.gz VIPAUSXNGLGCRW-UHFFFAOYSA-N -1 1 335.310 3.875 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C\Sc2ccccc2)c1 ZINC000744519638 1132116324 /nfs/dbraw/zinc/11/63/24/1132116324.db2.gz AXBVPQODOXDZIY-BENRWUELSA-N -1 1 342.416 3.987 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2ccc(Cl)cc2)c1 ZINC000744611551 1132126440 /nfs/dbraw/zinc/12/64/40/1132126440.db2.gz OPOOAOKUMYWKKR-UHFFFAOYSA-N -1 1 346.810 3.967 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(c3ccccc3F)CC2)c1 ZINC000745063035 1132189890 /nfs/dbraw/zinc/18/98/90/1132189890.db2.gz KEFYTINFACEFAV-UHFFFAOYSA-N -1 1 342.366 3.551 20 0 EHADMM CC(C)(O)c1cncc(Nc2ccc(F)c(Br)c2[O-])c1 ZINC001174594316 1132411578 /nfs/dbraw/zinc/41/15/78/1132411578.db2.gz GPOXGUREEHXHBI-UHFFFAOYSA-N -1 1 341.180 3.660 20 0 EHADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1coc(C2CCC2)n1 ZINC000194116267 1132485935 /nfs/dbraw/zinc/48/59/35/1132485935.db2.gz ZCMXYWHVWJMXPO-UHFFFAOYSA-N -1 1 332.410 3.774 20 0 EHADMM Cc1csc(CCC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001176168406 1132855523 /nfs/dbraw/zinc/85/55/23/1132855523.db2.gz UBAPMQAADVISCH-UHFFFAOYSA-N -1 1 327.409 3.519 20 0 EHADMM COCCOc1ccc(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671629 1132979893 /nfs/dbraw/zinc/97/98/93/1132979893.db2.gz KOZDUDHINNEHIL-UHFFFAOYSA-N -1 1 331.265 3.717 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2ccccc2Cl)n1 ZINC000768259890 1133118319 /nfs/dbraw/zinc/11/83/19/1133118319.db2.gz XACAPXSEIIJWNZ-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)ccc1-n1cccn1 ZINC001179660301 1133267387 /nfs/dbraw/zinc/26/73/87/1133267387.db2.gz PGHZFQJNLMZXQE-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM COc1ccc(CCC(=O)Nc2cc(F)c([O-])cc2Cl)cc1F ZINC001179655432 1133267476 /nfs/dbraw/zinc/26/74/76/1133267476.db2.gz FQEVTPAOHDIGKV-UHFFFAOYSA-N -1 1 341.741 3.904 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000769757825 1133337894 /nfs/dbraw/zinc/33/78/94/1133337894.db2.gz GCLUULWYDUEPKF-UHFFFAOYSA-N -1 1 347.346 3.526 20 0 EHADMM Cc1c(Cl)cc(NC(=O)C2(C(=O)[O-])CCCCC2)c(O)c1Cl ZINC001180436514 1133369713 /nfs/dbraw/zinc/36/97/13/1133369713.db2.gz NJURVCXKFZZSTM-UHFFFAOYSA-N -1 1 346.210 3.981 20 0 EHADMM CC1(C)CN(Cc2ncc(Br)cc2[O-])c2ccccc2O1 ZINC001180613125 1133393876 /nfs/dbraw/zinc/39/38/76/1133393876.db2.gz NRXJNIZVEWBDRW-UHFFFAOYSA-N -1 1 349.228 3.727 20 0 EHADMM O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1[O-] ZINC001181030027 1133446239 /nfs/dbraw/zinc/44/62/39/1133446239.db2.gz BHUFPAUVEJRCFQ-UHFFFAOYSA-N -1 1 345.704 3.874 20 0 EHADMM CC1(C)Cc2cccc(NCc3ncc(Br)cc3[O-])c2O1 ZINC001181465077 1133490299 /nfs/dbraw/zinc/49/02/99/1133490299.db2.gz TVJWSPSMRSMKOL-UHFFFAOYSA-N -1 1 349.228 3.875 20 0 EHADMM CCc1cc(CNC(=O)C(F)(F)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000817533109 1133532343 /nfs/dbraw/zinc/53/23/43/1133532343.db2.gz LUERYQXSGAYURF-UHFFFAOYSA-N -1 1 348.180 3.687 20 0 EHADMM [O-]c1ccc(-c2nc(-c3c(Cl)nc4sccn43)no2)c(F)c1 ZINC000771306832 1133537391 /nfs/dbraw/zinc/53/73/91/1133537391.db2.gz JWLHVUDKLVCVOT-UHFFFAOYSA-N -1 1 336.735 3.611 20 0 EHADMM CCC1(CC)CCC[N@@H+](Cc2ncc(Br)cc2[O-])C1 ZINC001182880218 1133741656 /nfs/dbraw/zinc/74/16/56/1133741656.db2.gz CTCRPIWEYSFCGI-UHFFFAOYSA-N -1 1 327.266 3.952 20 0 EHADMM O=C(Nc1c[n-][nH]c1=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001183562164 1133823967 /nfs/dbraw/zinc/82/39/67/1133823967.db2.gz HWNWCDGEFJSYGA-OAHLLOKOSA-N -1 1 327.771 3.539 20 0 EHADMM O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1cncc([O-])c1 ZINC000786301794 1133829526 /nfs/dbraw/zinc/82/95/26/1133829526.db2.gz MRPSMRJOEJNWAL-FQEVSTJZSA-N -1 1 348.402 3.706 20 0 EHADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000786880884 1133923083 /nfs/dbraw/zinc/92/30/83/1133923083.db2.gz RRRBMLDWIDVBFC-UHFFFAOYSA-N -1 1 349.214 3.945 20 0 EHADMM CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184885327 1133997553 /nfs/dbraw/zinc/99/75/53/1133997553.db2.gz ZHPCVGBLIMOQNE-UHFFFAOYSA-N -1 1 328.796 3.798 20 0 EHADMM Cc1ccccc1CC1(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)CC1 ZINC001185182392 1134045142 /nfs/dbraw/zinc/04/51/42/1134045142.db2.gz ZIERYXBEXKGURW-UHFFFAOYSA-N -1 1 347.418 3.848 20 0 EHADMM 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/nfs/dbraw/zinc/36/65/22/1134366522.db2.gz CWHUHTIFAZPKIX-UHFFFAOYSA-N -1 1 341.754 3.880 20 0 EHADMM COc1ccc(Cl)cc1NC(=O)Nc1ccc([O-])c(F)c1F ZINC001187925638 1134401008 /nfs/dbraw/zinc/40/10/08/1134401008.db2.gz PXWRWYIYQJYRAM-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM CSc1cccc(NC(=O)Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001188024494 1134418685 /nfs/dbraw/zinc/41/86/85/1134418685.db2.gz YXFONTJJTINVRC-UHFFFAOYSA-N -1 1 342.376 3.865 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2ccc([Si](C)(C)C)cc2)n1 ZINC001188162780 1134434573 /nfs/dbraw/zinc/43/45/73/1134434573.db2.gz LOGULCRXMNPJIQ-UHFFFAOYSA-N -1 1 332.545 3.972 20 0 EHADMM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588704 1134485187 /nfs/dbraw/zinc/48/51/87/1134485187.db2.gz GROXUIOSQFCINN-UHFFFAOYSA-N -1 1 349.264 3.770 20 0 EHADMM CSc1nc(NC(=O)Nc2cccc(Cl)c2Cl)cc(=O)[n-]1 ZINC001189201336 1134551638 /nfs/dbraw/zinc/55/16/38/1134551638.db2.gz KNTPUDKZTROVGO-UHFFFAOYSA-N -1 1 345.211 3.855 20 0 EHADMM 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O=C(Nc1ccccc1-c1nccs1)c1c[n-]c(C(F)(F)F)n1 ZINC001194783221 1135314801 /nfs/dbraw/zinc/31/48/01/1135314801.db2.gz JRAKDKOVAWHKMA-UHFFFAOYSA-N -1 1 338.314 3.804 20 0 EHADMM CC(C)CCOC(=O)Nc1ccc(I)cc1[O-] ZINC001194879840 1135333826 /nfs/dbraw/zinc/33/38/26/1135333826.db2.gz HCKOLPVWFVCLRR-UHFFFAOYSA-N -1 1 349.168 3.591 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC001195037714 1135356923 /nfs/dbraw/zinc/35/69/23/1135356923.db2.gz MIXXWEWKRXHOJP-UHFFFAOYSA-N -1 1 334.517 3.829 20 0 EHADMM O=C(Nc1cnc2cc(Cl)ccc2c1)c1cc([O-])cnc1Cl ZINC001195298374 1135409276 /nfs/dbraw/zinc/40/92/76/1135409276.db2.gz WRIZUVVAZUDRSY-UHFFFAOYSA-N -1 1 334.162 3.895 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(OC)c(-c2ccccc2)c1 ZINC001195484449 1135432020 /nfs/dbraw/zinc/43/20/20/1135432020.db2.gz MZRXTZSTTLXRLC-UHFFFAOYSA-N -1 1 330.409 3.805 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2csc(Cl)n2)CC1 ZINC000828113414 1135483957 /nfs/dbraw/zinc/48/39/57/1135483957.db2.gz IYSIZCASVBCIGC-UHFFFAOYSA-N -1 1 336.844 3.597 20 0 EHADMM CCN(Cc1ccc(C)cc1)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747355565 1135496150 /nfs/dbraw/zinc/49/61/50/1135496150.db2.gz XGPMVFAMQZXIIZ-UHFFFAOYSA-N -1 1 327.428 3.585 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000747397543 1135543277 /nfs/dbraw/zinc/54/32/77/1135543277.db2.gz QYTHZMNHZREECW-CJNGLKHVSA-N -1 1 339.439 3.632 20 0 EHADMM O=C([N-]c1cc(-c2ccncc2)no1)c1snc(Cl)c1Cl ZINC001196334438 1135548091 /nfs/dbraw/zinc/54/80/91/1135548091.db2.gz STKNWJPVLVIGFQ-UHFFFAOYSA-N -1 1 341.179 3.752 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2F)c(F)c1 ZINC001196383554 1135552955 /nfs/dbraw/zinc/55/29/55/1135552955.db2.gz VGDZNKQWWTWKJD-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC001196778521 1135614860 /nfs/dbraw/zinc/61/48/60/1135614860.db2.gz JCHRKOLSLUPLGD-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)n1 ZINC000808569950 1135696018 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O=C(NCC(=O)c1ccc([O-])cc1)Nc1c(Cl)cccc1Cl ZINC001202114344 1136095738 /nfs/dbraw/zinc/09/57/38/1136095738.db2.gz PHLNXVALFGJYPT-UHFFFAOYSA-N -1 1 339.178 3.703 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1Cl ZINC000811835928 1136143115 /nfs/dbraw/zinc/14/31/15/1136143115.db2.gz VJQCJESIOKXCSE-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM O=c1cc(CSc2ncnc3sccc32)c2ccc([O-])cc2o1 ZINC000006115456 1136158999 /nfs/dbraw/zinc/15/89/99/1136158999.db2.gz BFCUJRLOCSSTTD-UHFFFAOYSA-N -1 1 342.401 3.796 20 0 EHADMM CC(=O)Nc1ccc(SCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000007027886 1136190343 /nfs/dbraw/zinc/19/03/43/1136190343.db2.gz AVWXISSDXQGECZ-UHFFFAOYSA-N -1 1 341.388 3.749 20 0 EHADMM O=C(OCC[C@@H]1CC1(F)F)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000851385237 1136373732 /nfs/dbraw/zinc/37/37/32/1136373732.db2.gz JLUREYRTBIHNFA-CYBMUJFWSA-N -1 1 349.333 3.574 20 0 EHADMM [O-]c1cccc(CNCc2nc(-c3ccncc3)cs2)c1Cl ZINC000815126335 1136553736 /nfs/dbraw/zinc/55/37/36/1136553736.db2.gz LTPHPSVXICRUOC-UHFFFAOYSA-N -1 1 331.828 3.854 20 0 EHADMM Cc1noc(COc2ccc(NCc3cccc([O-])c3Cl)cc2)n1 ZINC000815132333 1136559862 /nfs/dbraw/zinc/55/98/62/1136559862.db2.gz SPISYEJBTPUHHK-UHFFFAOYSA-N -1 1 345.786 3.928 20 0 EHADMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111667978 1136570151 /nfs/dbraw/zinc/57/01/51/1136570151.db2.gz XAXLDBLIMISHQV-YGRLFVJLSA-N -1 1 344.798 3.892 20 0 EHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000854565683 1136628211 /nfs/dbraw/zinc/62/82/11/1136628211.db2.gz QYORUWXFDUTAPH-SJKOYZFVSA-N -1 1 333.815 3.630 20 0 EHADMM CCCOc1ccc(COC(=O)c2[n-]cnc2C(F)(F)F)c(C)c1 ZINC000855049123 1136663561 /nfs/dbraw/zinc/66/35/61/1136663561.db2.gz SLHWQTJATRYOAS-UHFFFAOYSA-N -1 1 342.317 3.883 20 0 EHADMM CCCOc1ccc(COC(=O)c2nc[n-]c2C(F)(F)F)c(C)c1 ZINC000855049123 1136663563 /nfs/dbraw/zinc/66/35/63/1136663563.db2.gz SLHWQTJATRYOAS-UHFFFAOYSA-N -1 1 342.317 3.883 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCSC[C@@H]1C1CC1 ZINC000888488989 1136681350 /nfs/dbraw/zinc/68/13/50/1136681350.db2.gz BHPKIYIAUSRUFK-CYBMUJFWSA-N -1 1 345.386 3.769 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C)c(=O)[n-]1 ZINC000816225045 1136690076 /nfs/dbraw/zinc/69/00/76/1136690076.db2.gz NPLRQRYESYGRAT-MISXGVKJSA-N -1 1 338.473 3.513 20 0 EHADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000816487473 1136724175 /nfs/dbraw/zinc/72/41/75/1136724175.db2.gz OAOWXGFLPMRSIF-CYBMUJFWSA-N -1 1 340.851 3.535 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CCSc2ccccc21 ZINC001135615315 1136729313 /nfs/dbraw/zinc/72/93/13/1136729313.db2.gz HRKQKWVBHRCBGF-CQSZACIVSA-N -1 1 333.840 3.941 20 0 EHADMM Cc1nc(SCC(=O)c2ccc(OC(C)C)cc2)[n-]c(=O)c1C ZINC000776868416 1136749300 /nfs/dbraw/zinc/74/93/00/1136749300.db2.gz GRHFTHUJDHVTAP-UHFFFAOYSA-N -1 1 332.425 3.561 20 0 EHADMM CC(C)([N-]C(=O)C(F)(F)c1ccccc1)c1cc(C(F)(F)F)on1 ZINC000817041884 1136773652 /nfs/dbraw/zinc/77/36/52/1136773652.db2.gz NDAGIKHROBLLBE-UHFFFAOYSA-N -1 1 348.271 3.837 20 0 EHADMM CC(C)(C[N-]C(=O)C(F)(F)C(F)F)c1cccc(Cl)c1F ZINC000857487608 1136876498 /nfs/dbraw/zinc/87/64/98/1136876498.db2.gz JCPCVQCHRXWGOP-UHFFFAOYSA-N -1 1 329.696 3.773 20 0 EHADMM O=C([N-][C@@H]1CCn2cncc21)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857976389 1136926913 /nfs/dbraw/zinc/92/69/13/1136926913.db2.gz CTWBNVFFXGHVNP-LLVKDONJSA-N -1 1 346.164 3.543 20 0 EHADMM O=c1nc(NCCCc2cccc(C(F)(F)F)c2)cc(Cl)[n-]1 ZINC000858365460 1136962056 /nfs/dbraw/zinc/96/20/56/1136962056.db2.gz ODVSLPNYAVQJPG-UHFFFAOYSA-N -1 1 331.725 3.899 20 0 EHADMM Cc1nnc(Sc2cc(Cl)nc(=O)[n-]2)n1[C@H]1CCC[C@H](C)C1 ZINC000858459952 1136969787 /nfs/dbraw/zinc/96/97/87/1136969787.db2.gz OYHVHSJZUXKBPG-WPRPVWTQSA-N -1 1 339.852 3.638 20 0 EHADMM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858485241 1136972172 /nfs/dbraw/zinc/97/21/72/1136972172.db2.gz AANYCSDWVAHKRQ-QWHCGFSZSA-N -1 1 333.819 3.631 20 0 EHADMM Cc1ccccc1OCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001136349628 1136996371 /nfs/dbraw/zinc/99/63/71/1136996371.db2.gz FBVBASDRQDCAQQ-UHFFFAOYSA-N -1 1 339.313 3.528 20 0 EHADMM COc1cnc(C=Cc2cccc(OCc3ccccc3)c2)[n-]c1=O ZINC000821007061 1137015513 /nfs/dbraw/zinc/01/55/13/1137015513.db2.gz AZVXAYQCNMTUGW-KHPPLWFESA-N -1 1 334.375 3.940 20 0 EHADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2cccc([O-])c2Br)CCO1 ZINC000821374821 1137023379 /nfs/dbraw/zinc/02/33/79/1137023379.db2.gz IVNORYXLTVGXGR-MFKMUULPSA-N -1 1 342.233 3.544 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC001136490257 1137037761 /nfs/dbraw/zinc/03/77/61/1137037761.db2.gz WPPJZGKFJVWNJN-UHFFFAOYSA-N -1 1 341.285 3.594 20 0 EHADMM CCC(CC)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001136903576 1137144466 /nfs/dbraw/zinc/14/44/66/1137144466.db2.gz HMCWGOBJHIBGBQ-GOSISDBHSA-N -1 1 325.408 3.869 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000825011855 1137159816 /nfs/dbraw/zinc/15/98/16/1137159816.db2.gz ZZFCWGNUVCALQM-NWANDNLSSA-N -1 1 326.362 3.774 20 0 EHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)cnc2F)cc1 ZINC000863449564 1137187072 /nfs/dbraw/zinc/18/70/72/1137187072.db2.gz NYGYAVIJCXJUPW-LLVKDONJSA-N -1 1 338.404 3.544 20 0 EHADMM CCn1ccnc1C[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843899381 1137187375 /nfs/dbraw/zinc/18/73/75/1137187375.db2.gz HZOHMSJNPAIBRM-UHFFFAOYSA-N -1 1 348.180 3.618 20 0 EHADMM Cc1c(Cl)c(CNC[C@H](CC(=O)[O-])C2CCCCCC2)nn1C ZINC000864522932 1137232435 /nfs/dbraw/zinc/23/24/35/1137232435.db2.gz SQELCJOZEHNATP-AWEZNQCLSA-N -1 1 341.883 3.533 20 0 EHADMM CCCC(C)(C)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000844557394 1137234749 /nfs/dbraw/zinc/23/47/49/1137234749.db2.gz PJUBXOMRSUWEQB-UHFFFAOYSA-N -1 1 344.377 3.938 20 0 EHADMM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cc(CO)on1 ZINC000865174307 1137267050 /nfs/dbraw/zinc/26/70/50/1137267050.db2.gz VJNQDTBCDVWFJG-UHFFFAOYSA-N -1 1 326.805 3.573 20 0 EHADMM Cc1nc(C)c(-c2csc(NC(=O)c3ccc(F)c([O-])c3)n2)s1 ZINC001144393668 1137281083 /nfs/dbraw/zinc/28/10/83/1137281083.db2.gz BVVKJDRHXMFPKI-UHFFFAOYSA-N -1 1 349.412 3.980 20 0 EHADMM COC(=O)c1cccc([C@@H]2CCCN2Cc2cc(F)c([O-])cc2F)c1 ZINC001144663233 1137324302 /nfs/dbraw/zinc/32/43/02/1137324302.db2.gz ACXXLOGYDXVRCU-KRWDZBQOSA-N -1 1 347.361 3.794 20 0 EHADMM COc1cccc(O[C@@H]2CCCN(Cc3cc(F)c([O-])cc3F)C2)c1 ZINC001144666704 1137325082 /nfs/dbraw/zinc/32/50/82/1137325082.db2.gz MJSKEDNCZXGEDN-MRXNPFEDSA-N -1 1 349.377 3.722 20 0 EHADMM [O-]c1cc(F)c(CN2CCCN(c3ccc(F)cc3)CC2)cc1F ZINC001144663922 1137325120 /nfs/dbraw/zinc/32/51/20/1137325120.db2.gz OAFXPTZVDNIRNQ-UHFFFAOYSA-N -1 1 336.357 3.522 20 0 EHADMM O=S(=O)([N-]CCC[C@H]1CC1(Cl)Cl)c1sccc1Cl ZINC000846021664 1137326583 /nfs/dbraw/zinc/32/65/83/1137326583.db2.gz FXLLOXJIKCKXDX-ZETCQYMHSA-N -1 1 348.704 3.654 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC001144764634 1137344529 /nfs/dbraw/zinc/34/45/29/1137344529.db2.gz SOLYDFXSUXUDTI-UHFFFAOYSA-N -1 1 337.423 3.733 20 0 EHADMM CC[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1nc(C)cs1 ZINC001144814946 1137350261 /nfs/dbraw/zinc/35/02/61/1137350261.db2.gz JENSLFUJYQJHRG-HNNXBMFYSA-N -1 1 342.420 3.897 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000846964971 1137379780 /nfs/dbraw/zinc/37/97/80/1137379780.db2.gz HRDHZCJAHYIDFX-CFVMTHIKSA-N -1 1 337.847 3.591 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc3ccccc3c2)c1 ZINC000121743149 1137383311 /nfs/dbraw/zinc/38/33/11/1137383311.db2.gz QXJNQIOEBIMAEC-UHFFFAOYSA-N -1 1 334.375 3.780 20 0 EHADMM COC(=O)c1ccc(C(=O)[N-]c2cccc(F)c2SC)s1 ZINC001147041201 1137398450 /nfs/dbraw/zinc/39/84/50/1137398450.db2.gz ZDRPNMDBJYVUII-UHFFFAOYSA-N -1 1 325.386 3.648 20 0 EHADMM CC(C)(C)c1cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)no1 ZINC000266078469 1137426664 /nfs/dbraw/zinc/42/66/64/1137426664.db2.gz ZBZSFAWWCZTVMY-UHFFFAOYSA-N -1 1 342.424 3.667 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c1 ZINC001148780466 1137433309 /nfs/dbraw/zinc/43/33/09/1137433309.db2.gz ZGTDDMPXFCQHMX-KPZWWZAWSA-N -1 1 341.382 3.706 20 0 EHADMM Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c2cc[nH]c2n1 ZINC001148794910 1137435071 /nfs/dbraw/zinc/43/50/71/1137435071.db2.gz PHYUHCZKLMSOCR-UHFFFAOYSA-N -1 1 335.285 3.800 20 0 EHADMM O=C(NCc1ccc2n[nH]cc2c1)c1cccc(-c2ccccc2)c1[O-] ZINC001148869226 1137436675 /nfs/dbraw/zinc/43/66/75/1137436675.db2.gz GGYAYPNHQWYXSD-UHFFFAOYSA-N -1 1 343.386 3.866 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(C/C=C\c1ccc(F)cc1)CC2 ZINC000871620405 1137549663 /nfs/dbraw/zinc/54/96/63/1137549663.db2.gz APPRIPSBJCDUFN-IHWYPQMZSA-N -1 1 341.382 3.604 20 0 EHADMM CC[C@H](c1ccc(F)cc1F)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168559 1137574881 /nfs/dbraw/zinc/57/48/81/1137574881.db2.gz YASUOMPUYOVNRC-GMXVVIOVSA-N -1 1 337.288 3.611 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1Cl ZINC000872356838 1137578951 /nfs/dbraw/zinc/57/89/51/1137578951.db2.gz FGPAWBXJPASABR-UHFFFAOYSA-N -1 1 339.848 3.761 20 0 EHADMM Cc1csc([C@H](C)[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)n1 ZINC000874320324 1137612983 /nfs/dbraw/zinc/61/29/83/1137612983.db2.gz ZRBGJBVLQIJGEL-QMMMGPOBSA-N -1 1 332.322 3.699 20 0 EHADMM CS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001137092699 1137636759 /nfs/dbraw/zinc/63/67/59/1137636759.db2.gz DBKZVJKWTUGCSM-MNOVXSKESA-N -1 1 333.375 3.767 20 0 EHADMM O=C(NC[C@@H]1COc2ccccc2C1)c1cc2ccccc2cc1[O-] ZINC000028072443 1137862912 /nfs/dbraw/zinc/86/29/12/1137862912.db2.gz SHDVAJMVUUGONS-CQSZACIVSA-N -1 1 333.387 3.527 20 0 EHADMM COC(=O)c1ccccc1NC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001202678582 1137922765 /nfs/dbraw/zinc/92/27/65/1137922765.db2.gz FWSSBKGILXVAQL-UHFFFAOYSA-N -1 1 338.722 3.615 20 0 EHADMM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(C)noc1C ZINC000264023635 1138406917 /nfs/dbraw/zinc/40/69/17/1138406917.db2.gz SHBHPMLLOQMYOA-UHFFFAOYSA-N -1 1 340.383 3.518 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1ccc(F)c(F)c1 ZINC000337165378 1138483601 /nfs/dbraw/zinc/48/36/01/1138483601.db2.gz YOBBQOOZVTXDQU-UHFFFAOYSA-N -1 1 327.327 3.782 20 0 EHADMM O=C(Nc1ccc2ccc(Cl)cc2n1)c1csc(=NC2CC2)[n-]1 ZINC000337503350 1138588622 /nfs/dbraw/zinc/58/86/22/1138588622.db2.gz FVYJFYLOTWNTTL-UHFFFAOYSA-N -1 1 344.827 3.593 20 0 EHADMM CC(C)n1cc2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc2n1 ZINC000348463195 1138693012 /nfs/dbraw/zinc/69/30/12/1138693012.db2.gz SMFKEQGSWINEPR-UHFFFAOYSA-N -1 1 331.322 3.853 20 0 EHADMM COc1ccccc1[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000153102655 1139122822 /nfs/dbraw/zinc/12/28/22/1139122822.db2.gz HXRVJYZCGNKMNM-LBPRGKRZSA-N -1 1 331.799 3.684 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c(C)o1 ZINC000182789975 1139992868 /nfs/dbraw/zinc/99/28/68/1139992868.db2.gz ICKMWVQEQFNIKI-UHFFFAOYSA-N -1 1 327.377 3.624 20 0 EHADMM O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc([O-])cc1F ZINC000186521727 1140208559 /nfs/dbraw/zinc/20/85/59/1140208559.db2.gz RQYONEZHXNLHAV-UHFFFAOYSA-N -1 1 343.398 3.648 20 0 EHADMM CCOc1cc(C(=O)Nc2nccn2CC(C)C)cc(Cl)c1[O-] ZINC000186765128 1140220903 /nfs/dbraw/zinc/22/09/03/1140220903.db2.gz GFQRMXLQSAAEQV-UHFFFAOYSA-N -1 1 337.807 3.549 20 0 EHADMM CCS[C@@H](C)c1noc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000195083654 1140630119 /nfs/dbraw/zinc/63/01/19/1140630119.db2.gz YXBHGYHVVBHMIJ-QMMMGPOBSA-N -1 1 338.458 3.549 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@H](C)c2ccccc2C)c(=O)[n-]1 ZINC000269004033 1141043571 /nfs/dbraw/zinc/04/35/71/1141043571.db2.gz IPRGPFGKFLBXMB-CYBMUJFWSA-N -1 1 346.452 3.758 20 0 EHADMM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339131650 1141505243 /nfs/dbraw/zinc/50/52/43/1141505243.db2.gz HNEJVCKZNHIJLG-LBPRGKRZSA-N -1 1 339.420 3.902 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c(C)c1 ZINC000055598518 214332832 /nfs/dbraw/zinc/33/28/32/214332832.db2.gz MKOIOEBJNPUGDA-UHFFFAOYSA-N -1 1 327.352 3.706 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(COC(C)C)c2)c1 ZINC000063815849 214768416 /nfs/dbraw/zinc/76/84/16/214768416.db2.gz IWEFAJXRJFPGLR-UHFFFAOYSA-N -1 1 342.395 3.528 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(C)C)c1 ZINC000078795868 217123983 /nfs/dbraw/zinc/12/39/83/217123983.db2.gz ONTGPNBGTNMQKN-UHFFFAOYSA-N -1 1 327.428 3.752 20 0 EHADMM c1csc(C2(CNc3cccc(-c4nnn[n-]4)n3)CCCCC2)c1 ZINC000738413696 598856676 /nfs/dbraw/zinc/85/66/76/598856676.db2.gz VBALDCPKUYTOOJ-UHFFFAOYSA-N -1 1 340.456 3.637 20 0 EHADMM c1csc(C2(CNc3cccc(-c4nn[n-]n4)n3)CCCCC2)c1 ZINC000738413696 598856677 /nfs/dbraw/zinc/85/66/77/598856677.db2.gz VBALDCPKUYTOOJ-UHFFFAOYSA-N -1 1 340.456 3.637 20 0 EHADMM CC(C)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000735929326 598961655 /nfs/dbraw/zinc/96/16/55/598961655.db2.gz WJKGMQIFRSBEDH-UHFFFAOYSA-N -1 1 345.410 3.545 20 0 EHADMM CC(C)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000735929326 598961657 /nfs/dbraw/zinc/96/16/57/598961657.db2.gz WJKGMQIFRSBEDH-UHFFFAOYSA-N -1 1 345.410 3.545 20 0 EHADMM CCc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736684955 598570679 /nfs/dbraw/zinc/57/06/79/598570679.db2.gz IMKYVJKMBMLDEM-JTQLQIEISA-N -1 1 328.807 3.651 20 0 EHADMM CCc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736684955 598570682 /nfs/dbraw/zinc/57/06/82/598570682.db2.gz IMKYVJKMBMLDEM-JTQLQIEISA-N -1 1 328.807 3.651 20 0 EHADMM CC(C)(C)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000735651882 598577003 /nfs/dbraw/zinc/57/70/03/598577003.db2.gz XVEMAMBKGWREOT-UHFFFAOYSA-N -1 1 342.834 3.825 20 0 EHADMM CC(C)(C)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000735651882 598577005 /nfs/dbraw/zinc/57/70/05/598577005.db2.gz XVEMAMBKGWREOT-UHFFFAOYSA-N -1 1 342.834 3.825 20 0 EHADMM c1ccc(Oc2cccc(CNc3cccc(-c4nnn[n-]4)n3)c2)cc1 ZINC000738433041 599411078 /nfs/dbraw/zinc/41/10/78/599411078.db2.gz NGLFLLWVXAKJPX-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM c1ccc(Oc2cccc(CNc3cccc(-c4nn[n-]n4)n3)c2)cc1 ZINC000738433041 599411081 /nfs/dbraw/zinc/41/10/81/599411081.db2.gz NGLFLLWVXAKJPX-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM COc1cccc([C@@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000821858572 599488169 /nfs/dbraw/zinc/48/81/69/599488169.db2.gz GSQUHBKKOKYRDF-GFCCVEGCSA-N -1 1 346.394 3.597 20 0 EHADMM COc1cccc([C@@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000821858572 599488172 /nfs/dbraw/zinc/48/81/72/599488172.db2.gz GSQUHBKKOKYRDF-GFCCVEGCSA-N -1 1 346.394 3.597 20 0 EHADMM Cc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822275395 599493444 /nfs/dbraw/zinc/49/34/44/599493444.db2.gz SXGKGEZVSDHAAL-KRWDZBQOSA-N -1 1 342.406 3.823 20 0 EHADMM Cc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822275395 599493446 /nfs/dbraw/zinc/49/34/46/599493446.db2.gz SXGKGEZVSDHAAL-KRWDZBQOSA-N -1 1 342.406 3.823 20 0 EHADMM CS[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821951485 599562639 /nfs/dbraw/zinc/56/26/39/599562639.db2.gz ZDIMHYPUAATNHB-VXGBXAGGSA-N -1 1 340.456 3.501 20 0 EHADMM CS[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821951485 599562641 /nfs/dbraw/zinc/56/26/41/599562641.db2.gz ZDIMHYPUAATNHB-VXGBXAGGSA-N -1 1 340.456 3.501 20 0 EHADMM O=C([O-])c1ccc(CN(Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000740124590 599761560 /nfs/dbraw/zinc/76/15/60/599761560.db2.gz WMTOQEPFJBGUOJ-UHFFFAOYSA-N -1 1 337.375 3.886 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738228200 600029770 /nfs/dbraw/zinc/02/97/70/600029770.db2.gz OSZMDPLTYXZYGC-NSHDSACASA-N -1 1 340.335 3.594 20 0 EHADMM CC(C)c1ccc(-c2noc(CN(CCC(=O)[O-])C(C)C)n2)cc1 ZINC000652479116 600221575 /nfs/dbraw/zinc/22/15/75/600221575.db2.gz KHFMFVLEGQTZSM-UHFFFAOYSA-N -1 1 331.416 3.545 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000738964922 600491199 /nfs/dbraw/zinc/49/11/99/600491199.db2.gz YXKNRKNEYSOQKB-CXAGYDPISA-N -1 1 331.437 3.965 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000426782826 600734009 /nfs/dbraw/zinc/73/40/09/600734009.db2.gz HTMZDYNHKIRHGO-CQSZACIVSA-N -1 1 327.277 3.760 20 0 EHADMM CC(C)OCc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000827033440 600737081 /nfs/dbraw/zinc/73/70/81/600737081.db2.gz HZEMTXHTCDWWBO-GOSISDBHSA-N -1 1 331.387 3.666 20 0 EHADMM C[C@@H](CN(Cc1ccccc1)Cn1ccc(-c2ccccc2)n1)C(=O)[O-] ZINC000736583268 601088397 /nfs/dbraw/zinc/08/83/97/601088397.db2.gz MHTXRTFEFHHDFH-KRWDZBQOSA-N -1 1 349.434 3.731 20 0 EHADMM CCC1CCC(NCC(=O)Nc2ccccc2C(C)C)(C(=O)[O-])CC1 ZINC000829108373 601494180 /nfs/dbraw/zinc/49/41/80/601494180.db2.gz ZQZPYEIWQSEYCV-UHFFFAOYSA-N -1 1 346.471 3.762 20 0 EHADMM O=C([O-])c1ccc(CSc2nc(-c3ccccc3)n[nH]2)cc1F ZINC000833316775 601672368 /nfs/dbraw/zinc/67/23/68/601672368.db2.gz DQZZRUCVOIOMSX-UHFFFAOYSA-N -1 1 329.356 3.601 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ccccc2Br)CC1 ZINC000050926280 601841457 /nfs/dbraw/zinc/84/14/57/601841457.db2.gz MXHACSAXWQFFEI-UHFFFAOYSA-N -1 1 326.234 3.526 20 0 EHADMM Cc1oc(-c2ccsc2)nc1CN1CCC(CCC(=O)[O-])CC1 ZINC000580956208 601842914 /nfs/dbraw/zinc/84/29/14/601842914.db2.gz NZYQKBITADMPCN-UHFFFAOYSA-N -1 1 334.441 3.788 20 0 EHADMM CN(Cc1cc(Cl)cn1C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830805800 601963810 /nfs/dbraw/zinc/96/38/10/601963810.db2.gz AEDCJRIITAFVMR-AWEZNQCLSA-N -1 1 327.211 3.590 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000826051211 602046647 /nfs/dbraw/zinc/04/66/47/602046647.db2.gz BJRHNOLBNOYYCD-RDTXWAMCSA-N -1 1 327.428 3.550 20 0 EHADMM COc1cc(OC)cc([C@H](N[C@H](C)c2ccccc2Cl)C(=O)[O-])c1 ZINC000832049074 602163489 /nfs/dbraw/zinc/16/34/89/602163489.db2.gz FIIBJAXCZQIJJJ-DIFFPNOSSA-N -1 1 349.814 3.834 20 0 EHADMM CC(C)C[C@H](CNC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000738811887 602570983 /nfs/dbraw/zinc/57/09/83/602570983.db2.gz PDMVMHXZKPSMTD-LLVKDONJSA-N -1 1 339.486 3.644 20 0 EHADMM CC(C)n1ccn(CN(CCCC(=O)[O-])Cc2ccccc2)c1=S ZINC000827192540 604763422 /nfs/dbraw/zinc/76/34/22/604763422.db2.gz CXMFXHFAKQLXRQ-UHFFFAOYSA-N -1 1 347.484 3.924 20 0 EHADMM CC(C)[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833465848 604868685 /nfs/dbraw/zinc/86/86/85/604868685.db2.gz NUMZWNDXCWIDFA-OAHLLOKOSA-N -1 1 337.379 3.639 20 0 EHADMM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000825503935 604942514 /nfs/dbraw/zinc/94/25/14/604942514.db2.gz ZMIYKQBDWLTTDK-OAHLLOKOSA-N -1 1 349.434 3.896 20 0 EHADMM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccccc1CC(=O)[O-] ZINC000833560685 605067336 /nfs/dbraw/zinc/06/73/36/605067336.db2.gz FZIMODUWSUNZTI-LJQANCHMSA-N -1 1 339.435 3.666 20 0 EHADMM C[C@@](CNC(=O)[O-])(NCc1coc(-c2cccc(Cl)c2)n1)C1CC1 ZINC000824952984 605169649 /nfs/dbraw/zinc/16/96/49/605169649.db2.gz SPDBKPDCKFFDAL-KRWDZBQOSA-N -1 1 349.818 3.521 20 0 EHADMM C[C@H](C[C@@H]1CCCN1C(=O)[O-])N[C@H](c1nccs1)c1ccccc1 ZINC000824768866 605494445 /nfs/dbraw/zinc/49/44/45/605494445.db2.gz QONLCQQXPXJYAA-KBMXLJTQSA-N -1 1 345.468 3.743 20 0 EHADMM C[C@@H]1C[C@H]1[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000824899873 607900452 /nfs/dbraw/zinc/90/04/52/607900452.db2.gz PPVQABUWNJNGIA-ZXIHIIQKSA-N -1 1 340.818 3.724 20 0 EHADMM C[C@@H]1C[C@H]1[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000824899873 607900453 /nfs/dbraw/zinc/90/04/53/607900453.db2.gz PPVQABUWNJNGIA-ZXIHIIQKSA-N -1 1 340.818 3.724 20 0 EHADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1c(C)noc1C ZINC000825148415 607936632 /nfs/dbraw/zinc/93/66/32/607936632.db2.gz QOHJRJNZJLLDLN-ZDUSSCGKSA-N -1 1 349.398 3.583 20 0 EHADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1c(C)noc1C ZINC000825148415 607936633 /nfs/dbraw/zinc/93/66/33/607936633.db2.gz QOHJRJNZJLLDLN-ZDUSSCGKSA-N -1 1 349.398 3.583 20 0 EHADMM C[C@H](c1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824773197 608413186 /nfs/dbraw/zinc/41/31/86/608413186.db2.gz ZKBZZHYKLZVVLS-CYBMUJFWSA-N -1 1 344.378 3.601 20 0 EHADMM C[C@H](c1ccccc1)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824773197 608413187 /nfs/dbraw/zinc/41/31/87/608413187.db2.gz ZKBZZHYKLZVVLS-CYBMUJFWSA-N -1 1 344.378 3.601 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CN1Cc2ccccc2-c2ccccc2C1 ZINC000826523150 608676085 /nfs/dbraw/zinc/67/60/85/608676085.db2.gz CCELAEBNMVXYGT-UHFFFAOYSA-N -1 1 343.390 3.643 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CN1Cc2ccccc2-c2ccccc2C1 ZINC000826523150 608676086 /nfs/dbraw/zinc/67/60/86/608676086.db2.gz CCELAEBNMVXYGT-UHFFFAOYSA-N -1 1 343.390 3.643 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000324585576 971136168 /nfs/dbraw/zinc/13/61/68/971136168.db2.gz HJQPIGJHSBOIJN-ZDUSSCGKSA-N -1 1 332.375 3.558 20 0 EHADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C)cc1 ZINC000820939120 945593183 /nfs/dbraw/zinc/59/31/83/945593183.db2.gz QUWNQONKJHQGQV-GFCCVEGCSA-N -1 1 328.397 3.545 20 0 EHADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C)cc1 ZINC000820939120 945593190 /nfs/dbraw/zinc/59/31/90/945593190.db2.gz QUWNQONKJHQGQV-GFCCVEGCSA-N -1 1 328.397 3.545 20 0 EHADMM Cc1oc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1C(=O)[O-] ZINC000327045664 971360073 /nfs/dbraw/zinc/36/00/73/971360073.db2.gz LQOYNUGQUXOLPQ-UHFFFAOYSA-N -1 1 341.323 3.663 20 0 EHADMM CCc1ccc(NC(=O)c2ccc(CN(CC)CC)o2)c(C(=O)[O-])c1 ZINC000327744417 971423017 /nfs/dbraw/zinc/42/30/17/971423017.db2.gz YKKZBVBEBXPFOG-UHFFFAOYSA-N -1 1 344.411 3.634 20 0 EHADMM C[C@@H](C(=O)[O-])N(Cc1cc2cc(Br)ccc2o1)C1CC1 ZINC001602819913 971622897 /nfs/dbraw/zinc/62/28/97/971622897.db2.gz MYVCQIKPAMHAEF-VIFPVBQESA-N -1 1 338.201 3.633 20 0 EHADMM CC(C)C[C@@H](CNCc1csc(COc2ccccc2)n1)C(=O)[O-] ZINC000263475890 950482957 /nfs/dbraw/zinc/48/29/57/950482957.db2.gz JEZWYDADWRPYOB-AWEZNQCLSA-N -1 1 348.468 3.559 20 0 EHADMM Cc1cc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(Br)cc1F ZINC001594303232 957930465 /nfs/dbraw/zinc/93/04/65/957930465.db2.gz OCXOLXRDGMOWAD-QWRGUYRKSA-N -1 1 344.224 3.582 20 0 EHADMM O=C([O-])[C@H]1CCCCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137276796 958920399 /nfs/dbraw/zinc/92/03/99/958920399.db2.gz CDQPTBRFVGJMFQ-CYBMUJFWSA-N -1 1 346.652 3.932 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1Br)c1ccccc1 ZINC000232424437 960265939 /nfs/dbraw/zinc/26/59/39/960265939.db2.gz DAYBKVIMIPMWQJ-NSHDSACASA-N -1 1 334.213 3.998 20 0 EHADMM C[C@H]1CCN(Cc2cc(Cl)ccc2Br)[C@H](C(=O)[O-])C1 ZINC000311585144 963493392 /nfs/dbraw/zinc/49/33/92/963493392.db2.gz PLTFLNHWCRKASL-ZANVPECISA-N -1 1 346.652 3.788 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2ccccc2F)n1 ZINC000570718761 968446067 /nfs/dbraw/zinc/44/60/67/968446067.db2.gz CKKSQBSZDGDFPM-NWDGAFQWSA-N -1 1 334.416 3.634 20 0 EHADMM Cc1scc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1C ZINC001605467208 973572147 /nfs/dbraw/zinc/57/21/47/973572147.db2.gz UQDNORYVMNNVKE-AWEZNQCLSA-N -1 1 348.468 3.549 20 0 EHADMM CCCOc1cccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000417705157 973967235 /nfs/dbraw/zinc/96/72/35/973967235.db2.gz NEYBDIIVNZSMRF-UHFFFAOYSA-N -1 1 340.423 3.736 20 0 EHADMM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000553934795 974480574 /nfs/dbraw/zinc/48/05/74/974480574.db2.gz KOBJETUUCKLULS-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM CCCc1nc(C)c(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC000563456570 974535179 /nfs/dbraw/zinc/53/51/79/974535179.db2.gz WTDWLNUBNFYKFZ-HOTGVXAUSA-N -1 1 334.460 3.791 20 0 EHADMM O=C([O-])CCN(Cc1cc(Cl)sc1Cl)C1CCOCC1 ZINC000581310892 974908965 /nfs/dbraw/zinc/90/89/65/974908965.db2.gz SCPKULDQRKTACI-UHFFFAOYSA-N -1 1 338.256 3.511 20 0 EHADMM Cc1ccc(-c2nc(CN3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000579711668 1014248135 /nfs/dbraw/zinc/24/81/35/1014248135.db2.gz HMDJYJGLGZKUME-CJNGLKHVSA-N -1 1 330.453 3.661 20 0 EHADMM C[C@H](c1noc(-c2ccccc2)n1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652498573 975559803 /nfs/dbraw/zinc/55/98/03/975559803.db2.gz MLOKFOAFEZTUJT-HIFRSBDPSA-N -1 1 343.427 3.620 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000652498656 975562269 /nfs/dbraw/zinc/56/22/69/975562269.db2.gz OYMSWNPSCPVYAJ-CQSZACIVSA-N -1 1 345.468 3.528 20 0 EHADMM Cc1cc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)oc1C(=O)[O-] ZINC000652512681 975571694 /nfs/dbraw/zinc/57/16/94/975571694.db2.gz MNIWIRAVOHSRDG-BZSNNMDCSA-N -1 1 341.407 3.781 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)cc1F ZINC000656763009 975690920 /nfs/dbraw/zinc/69/09/20/975690920.db2.gz JTNBMUHLALEMMK-OAHLLOKOSA-N -1 1 333.359 3.771 20 0 EHADMM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C[C@@H]1CC1(C)C ZINC000663316113 975942665 /nfs/dbraw/zinc/94/26/65/975942665.db2.gz BJHVKMVHGQRLQZ-AWEZNQCLSA-N -1 1 330.453 3.986 20 0 EHADMM C[C@H](CCO)N(Cc1ccccc1)Cc1c(Cl)cccc1C(=O)[O-] ZINC001592530706 978400939 /nfs/dbraw/zinc/40/09/39/978400939.db2.gz WCNPMHDIBHHUKZ-CQSZACIVSA-N -1 1 347.842 3.811 20 0 EHADMM C[C@H](CN(Cc1nc2c(s1)CCCC2)Cc1ccccc1)C(=O)[O-] ZINC001592604576 978544513 /nfs/dbraw/zinc/54/45/13/978544513.db2.gz HFIQSQAIOWHBKS-CQSZACIVSA-N -1 1 344.480 3.745 20 0 EHADMM C[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)Oc1ccccc1Cl ZINC001592705305 979168222 /nfs/dbraw/zinc/16/82/22/979168222.db2.gz COAXUHDAZCECMZ-ZJUUUORDSA-N -1 1 340.832 3.613 20 0 EHADMM Cc1cc(C)cc([C@@H](NCc2ncccc2C(F)(F)F)C(=O)[O-])c1 ZINC000859817612 979650190 /nfs/dbraw/zinc/65/01/90/979650190.db2.gz JJFHWYXKOHFRCE-OAHLLOKOSA-N -1 1 338.329 3.633 20 0 EHADMM COc1ccccc1[C@@H]1CSCCCN1Cc1occc1C(=O)[O-] ZINC000872168034 980069505 /nfs/dbraw/zinc/06/95/05/980069505.db2.gz OEPTXQYCLTVRMR-HNNXBMFYSA-N -1 1 347.436 3.667 20 0 EHADMM CC[C@@H](N[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccc2c(c1)OCCO2 ZINC001595278696 980312252 /nfs/dbraw/zinc/31/22/52/980312252.db2.gz HQFCQSAWNHAUSF-TZMCWYRMSA-N -1 1 345.395 3.859 20 0 EHADMM CC(C)Cc1ncc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC000901621244 980409515 /nfs/dbraw/zinc/40/95/15/980409515.db2.gz DPTRWVQDPGWPQU-MRXNPFEDSA-N -1 1 330.453 3.526 20 0 EHADMM CC[C@@](NCc1cc(C)cc(C)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299152 980424548 /nfs/dbraw/zinc/42/45/48/980424548.db2.gz LQWBXRQOAMZWAJ-SFHVURJKSA-N -1 1 332.831 3.832 20 0 EHADMM CCCOc1cc(CNCc2ccc(C(=O)[O-])cc2F)ccc1OC ZINC000901754469 980484903 /nfs/dbraw/zinc/48/49/03/980484903.db2.gz FZMSTPAVDQOLDU-UHFFFAOYSA-N -1 1 347.386 3.611 20 0 EHADMM CC[C@](NCc1ccncc1Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901874209 980588943 /nfs/dbraw/zinc/58/89/43/980588943.db2.gz XATAULJOZDOEAJ-MRXNPFEDSA-N -1 1 339.222 3.868 20 0 EHADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)o1 ZINC000901933184 980637626 /nfs/dbraw/zinc/63/76/26/980637626.db2.gz ZJVQLKLUIYHHJG-RISCZKNCSA-N -1 1 346.452 3.937 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000902263905 980807314 /nfs/dbraw/zinc/80/73/14/980807314.db2.gz QSMHWDJMTVBACG-MRVPVSSYSA-N -1 1 328.290 3.551 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000902432296 980883584 /nfs/dbraw/zinc/88/35/84/980883584.db2.gz NEXOZQINHGYDEV-AWEZNQCLSA-N -1 1 335.787 3.943 20 0 EHADMM COc1cc(CN(C)CCC(C)C)c(Br)cc1C(=O)[O-] ZINC000903887684 981021367 /nfs/dbraw/zinc/02/13/67/981021367.db2.gz ZZABVTVQPLIXLS-UHFFFAOYSA-N -1 1 344.249 3.634 20 0 EHADMM C[C@@H]1C[C@@H]1[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000905726198 981124904 /nfs/dbraw/zinc/12/49/04/981124904.db2.gz LCNZOQDSKMCLSN-NVGVWMPQSA-N -1 1 330.815 3.920 20 0 EHADMM O=C([O-])[C@@H](NCc1cccc(F)c1)c1ccccc1Br ZINC000683173202 1014728624 /nfs/dbraw/zinc/72/86/24/1014728624.db2.gz GXLZUVWYANDLMZ-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)c(C)c1 ZINC000610192396 1014831608 /nfs/dbraw/zinc/83/16/08/1014831608.db2.gz WQDMYGFFOHUPMG-UHFFFAOYSA-N -1 1 347.436 3.535 20 0 EHADMM Cc1[nH]c(C(=O)CN2CC[C@]2(C)C2CCCCC2)c(C)c1C(=O)[O-] ZINC001599945925 985527689 /nfs/dbraw/zinc/52/76/89/985527689.db2.gz SORSAHMQPCYUIT-LJQANCHMSA-N -1 1 332.444 3.557 20 0 EHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCC1(F)F ZINC001594503435 985698802 /nfs/dbraw/zinc/69/88/02/985698802.db2.gz YMOPFMQUAQJEDK-BXKDBHETSA-N -1 1 337.288 3.808 20 0 EHADMM Cc1nc(S[C@H](C)c2nc(C(=O)[O-])co2)[nH]c1-c1ccccc1 ZINC001599965872 985904373 /nfs/dbraw/zinc/90/43/73/985904373.db2.gz KGYJVFFPGIBYBR-SNVBAGLBSA-N -1 1 329.381 3.925 20 0 EHADMM CCO[C@@H]1CCC[C@H]1NCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001596974576 986204677 /nfs/dbraw/zinc/20/46/77/986204677.db2.gz NBLRGRALNARGND-HZPDHXFCSA-N -1 1 346.452 3.556 20 0 EHADMM C[C@H]1CN(Cc2oc(Br)cc2C(=O)[O-])CC(C)(C)C1 ZINC001594548595 986238279 /nfs/dbraw/zinc/23/82/79/986238279.db2.gz VDTMTTZZMNNFBE-SECBINFHSA-N -1 1 330.222 3.608 20 0 EHADMM COCc1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)o1 ZINC000097698517 1015204417 /nfs/dbraw/zinc/20/44/17/1015204417.db2.gz LBUSTWMOFUQHSQ-UHFFFAOYSA-N -1 1 349.799 3.850 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC001589468445 986930857 /nfs/dbraw/zinc/93/08/57/986930857.db2.gz ILJPXLFHHFXERT-IAQYHMDHSA-N -1 1 338.329 3.652 20 0 EHADMM CC(C)(C(=O)NOCc1c(Cl)cccc1C(=O)[O-])c1ccccc1 ZINC001589574707 987348486 /nfs/dbraw/zinc/34/84/86/987348486.db2.gz GPJRPKGGYTVHTG-UHFFFAOYSA-N -1 1 347.798 3.564 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)nc2Cl)C1 ZINC001589616045 987473949 /nfs/dbraw/zinc/47/39/49/987473949.db2.gz BLGNYWLZGUDNRR-LLVKDONJSA-N -1 1 331.243 3.711 20 0 EHADMM CCc1ccc(-c2n[nH]c(S[C@@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC001597492352 988027835 /nfs/dbraw/zinc/02/78/35/988027835.db2.gz SXJIREVAQXMVPV-OAHLLOKOSA-N -1 1 339.420 3.952 20 0 EHADMM CCc1oc(CN(CCOC)Cc2ccc(C)cc2C)cc1C(=O)[O-] ZINC001597797182 989360037 /nfs/dbraw/zinc/36/00/37/989360037.db2.gz WXCLDLBGWBZHOH-UHFFFAOYSA-N -1 1 345.439 3.806 20 0 EHADMM CCC(CC)CCCN(C)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000620198450 1125507522 /nfs/dbraw/zinc/50/75/22/1125507522.db2.gz ICZGEUAWDAQJAC-UHFFFAOYSA-N -1 1 325.478 3.501 20 0 EHADMM CC(C)(CN[C@H](C(=O)[O-])c1c(F)cccc1Cl)C(F)(F)F ZINC001590758572 990561045 /nfs/dbraw/zinc/56/10/45/990561045.db2.gz KIPORKNNMOVLNL-JTQLQIEISA-N -1 1 327.705 3.783 20 0 EHADMM CC(C)(NCCSc1cccc(Cl)c1)c1nocc1C(=O)[O-] ZINC001590870859 990773859 /nfs/dbraw/zinc/77/38/59/990773859.db2.gz PZQCZGWFIBZUAR-UHFFFAOYSA-N -1 1 340.832 3.643 20 0 EHADMM CC(C)CCN1Cc2cccc(NC(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC001591246600 992144259 /nfs/dbraw/zinc/14/42/59/992144259.db2.gz SSVSUHARLRTYLG-UHFFFAOYSA-N -1 1 342.395 3.592 20 0 EHADMM CC(C)Cc1ccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001591483311 992601023 /nfs/dbraw/zinc/60/10/23/992601023.db2.gz FDNJDGDOSOYLCW-UHFFFAOYSA-N -1 1 332.831 3.922 20 0 EHADMM CC(C)N(Cc1cccc(F)c1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001591600602 992831471 /nfs/dbraw/zinc/83/14/71/992831471.db2.gz OUXQNMAMGGLNKA-UHFFFAOYSA-N -1 1 341.386 3.742 20 0 EHADMM C[C@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC001593246117 994446855 /nfs/dbraw/zinc/44/68/55/994446855.db2.gz HDHQCMVDPPMGMA-ONGXEEELSA-N -1 1 344.358 3.838 20 0 EHADMM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2ccc(Cl)cc2OC)c1 ZINC001599651185 994503709 /nfs/dbraw/zinc/50/37/09/994503709.db2.gz UKQKGHPQUATNIQ-KRWDZBQOSA-N -1 1 349.814 3.615 20 0 EHADMM Cc1ccnc(Oc2cc(NC(=O)c3cncc([O-])c3)ccc2C)c1 ZINC000339903657 1015870526 /nfs/dbraw/zinc/87/05/26/1015870526.db2.gz XROCNPPDVBUOHO-UHFFFAOYSA-N -1 1 335.363 3.844 20 0 EHADMM COc1cccc([C@@](C)(CC(=O)[O-])NCc2sccc2Cl)c1 ZINC001599656740 994592484 /nfs/dbraw/zinc/59/24/84/994592484.db2.gz VWANIOCKOHFFED-MRXNPFEDSA-N -1 1 339.844 3.890 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1OC(F)F ZINC001593293331 994683855 /nfs/dbraw/zinc/68/38/55/994683855.db2.gz UVQFFFXHWIKSCQ-SNVBAGLBSA-N -1 1 339.313 3.976 20 0 EHADMM C[C@H](NCc1ccc(F)cc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001593298300 994713048 /nfs/dbraw/zinc/71/30/48/994713048.db2.gz HPUOSVDCMDLEIR-NSHDSACASA-N -1 1 337.778 3.793 20 0 EHADMM C[C@@](NCc1ccncc1F)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593310367 994771913 /nfs/dbraw/zinc/77/19/13/994771913.db2.gz HVJPMZQFFFEKFH-HNNXBMFYSA-N -1 1 343.185 3.617 20 0 EHADMM C[C@H](N[C@H]1CCc2c1cccc2F)c1ccccc1OCC(=O)[O-] ZINC001593359464 995017617 /nfs/dbraw/zinc/01/76/17/995017617.db2.gz FWKRNWFEIZGKQU-SJCJKPOMSA-N -1 1 329.371 3.627 20 0 EHADMM C[C@@H](Oc1ccccc1CN[C@H]1CCc2ccc(Cl)cc21)C(=O)[O-] ZINC001593645406 995974150 /nfs/dbraw/zinc/97/41/50/995974150.db2.gz JWCYFKLQCWTFHD-PXAZEXFGSA-N -1 1 345.826 3.969 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1Cc2ccccc2OC2(CCC2)C1 ZINC001593690523 996136252 /nfs/dbraw/zinc/13/62/52/996136252.db2.gz RWKDIMPTVOWVKL-ZDUSSCGKSA-N -1 1 327.380 3.856 20 0 EHADMM COC[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC001599176837 996863374 /nfs/dbraw/zinc/86/33/74/996863374.db2.gz HOAKZYIBPYZQSP-MRXNPFEDSA-N -1 1 337.778 3.655 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(Cc1cccc(C3CC3)c1)CC2 ZINC001599500824 997114646 /nfs/dbraw/zinc/11/46/46/997114646.db2.gz BGUNBDPRYDJIJQ-UHFFFAOYSA-N -1 1 337.419 3.829 20 0 EHADMM COc1ccc([C@@H](C)NCc2ccccc2O[C@H](C)C(=O)[O-])cc1F ZINC001599507814 997242943 /nfs/dbraw/zinc/24/29/43/997242943.db2.gz BFJCMAALECHDGR-CHWSQXEVSA-N -1 1 347.386 3.537 20 0 EHADMM CCCCn1cc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c(C)n1 ZINC000634656834 1016452457 /nfs/dbraw/zinc/45/24/57/1016452457.db2.gz JISJYVMJMYIDBO-UHFFFAOYSA-N -1 1 341.864 3.754 20 0 EHADMM Cc1cc(Br)c(O)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC000182901075 1017209735 /nfs/dbraw/zinc/20/97/35/1017209735.db2.gz UTBUFLBWMISTJU-UHFFFAOYSA-N -1 1 340.148 3.560 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000340215935 1016712639 /nfs/dbraw/zinc/71/26/39/1016712639.db2.gz MWCMOHYZGKMAHG-UHFFFAOYSA-N -1 1 343.380 3.671 20 0 EHADMM Cc1ccc(C)c(OC2CCN(C(=O)c3ccc([O-])cc3F)CC2)c1 ZINC000181173876 1016910072 /nfs/dbraw/zinc/91/00/72/1016910072.db2.gz DUQQBUAPVPDFAP-UHFFFAOYSA-N -1 1 343.398 3.832 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000340329624 1016953079 /nfs/dbraw/zinc/95/30/79/1016953079.db2.gz ZNPXMQFKNSHZDX-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnn1-c1ccccc1Cl ZINC000340332080 1016962949 /nfs/dbraw/zinc/96/29/49/1016962949.db2.gz HBEANHJQKXCDNC-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM CSc1ccc([O-])c(-c2nc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000904688756 1032181623 /nfs/dbraw/zinc/18/16/23/1032181623.db2.gz YPQXLCGHYRLCKP-UHFFFAOYSA-N -1 1 326.377 3.766 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(F)c(F)c1 ZINC000538258270 1032255298 /nfs/dbraw/zinc/25/52/98/1032255298.db2.gz XLVKZEUVWLVKOX-UHFFFAOYSA-N -1 1 334.347 3.761 20 0 EHADMM O=C(NCCOc1cccc2ccccc21)c1c(F)ccc([O-])c1F ZINC000538315910 1032289760 /nfs/dbraw/zinc/28/97/60/1032289760.db2.gz PQUBBQIHQIDEBS-UHFFFAOYSA-N -1 1 343.329 3.632 20 0 EHADMM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C ZINC000485101084 1032305529 /nfs/dbraw/zinc/30/55/29/1032305529.db2.gz OADYQMJPQQLUDG-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM O=C(N[C@@H](c1cccnc1)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000538496190 1032398449 /nfs/dbraw/zinc/39/84/49/1032398449.db2.gz WFXUMRPGYQEUHY-OAHLLOKOSA-N -1 1 336.313 3.687 20 0 EHADMM COc1ccc([O-])c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000537207092 1032561534 /nfs/dbraw/zinc/56/15/34/1032561534.db2.gz SPMJXUJWUBRSQW-UHFFFAOYSA-N -1 1 348.207 3.508 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(O)cc2F)c1 ZINC000182901075 1017209728 /nfs/dbraw/zinc/20/97/28/1017209728.db2.gz UTBUFLBWMISTJU-UHFFFAOYSA-N -1 1 340.148 3.560 20 0 EHADMM Cc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)[n-]c(=O)c1C ZINC000537414992 1032715105 /nfs/dbraw/zinc/71/51/05/1032715105.db2.gz ZTLRZEHHXQTAQN-SNVBAGLBSA-N -1 1 337.832 3.572 20 0 EHADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000052398229 1018792608 /nfs/dbraw/zinc/79/26/08/1018792608.db2.gz DSLGJYOFHVTXFE-UHFFFAOYSA-N -1 1 344.842 3.918 20 0 EHADMM CCSc1ccc([C@@H](C)N=c2[n-]c(C(=O)OC)c(C)s2)cc1 ZINC000434081165 1019933058 /nfs/dbraw/zinc/93/30/58/1019933058.db2.gz BCXWHZIVCAPHNJ-SNVBAGLBSA-N -1 1 336.482 3.945 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000891336754 1020166491 /nfs/dbraw/zinc/16/64/91/1020166491.db2.gz OHTSQFYKHGQNCA-ZWKOTPCHSA-N -1 1 339.435 3.824 20 0 EHADMM CCCc1nc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)co1 ZINC000280252319 1020246981 /nfs/dbraw/zinc/24/69/81/1020246981.db2.gz YMYQGGRPZNTAMS-UHFFFAOYSA-N -1 1 346.387 3.845 20 0 EHADMM CC(C)(C)n1cnc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n1 ZINC000345734041 1020485219 /nfs/dbraw/zinc/48/52/19/1020485219.db2.gz GVSGBSBONSJXKA-UHFFFAOYSA-N -1 1 345.790 3.594 20 0 EHADMM Cc1cscc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000123796333 1020724439 /nfs/dbraw/zinc/72/44/39/1020724439.db2.gz 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1021282440 /nfs/dbraw/zinc/28/24/40/1021282440.db2.gz JJZGVOMEJGTPTB-CVEARBPZSA-N -1 1 327.424 3.869 20 0 EHADMM CCc1ccc(C(=O)N2CCCN(C)c3ccc(F)cc32)c([O-])c1 ZINC000436838862 1021283111 /nfs/dbraw/zinc/28/31/11/1021283111.db2.gz RTNYIYRWSBBJTD-UHFFFAOYSA-N -1 1 328.387 3.580 20 0 EHADMM CN(C)c1cccc(CCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436869140 1021309443 /nfs/dbraw/zinc/30/94/43/1021309443.db2.gz LPQLCGFDKYFIED-UHFFFAOYSA-N -1 1 343.814 3.947 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H]3CCCc4c(O)cccc43)n2)cc1F ZINC000436879796 1021329760 /nfs/dbraw/zinc/32/97/60/1021329760.db2.gz ONLOSAVWHPKMMM-CYBMUJFWSA-N -1 1 326.327 3.755 20 0 EHADMM Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436904885 1021348437 /nfs/dbraw/zinc/34/84/37/1021348437.db2.gz QWRSKJJYVYSING-UHFFFAOYSA-N -1 1 327.771 3.792 20 0 EHADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccc(Cl)c1 ZINC000436911723 1021359344 /nfs/dbraw/zinc/35/93/44/1021359344.db2.gz GDFFEAIUAJMIPE-UHFFFAOYSA-N -1 1 349.177 3.736 20 0 EHADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccc(Cl)c1 ZINC000436911723 1021359360 /nfs/dbraw/zinc/35/93/60/1021359360.db2.gz GDFFEAIUAJMIPE-UHFFFAOYSA-N -1 1 349.177 3.736 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccccc3Cl)no2)c1 ZINC000436897194 1021362024 /nfs/dbraw/zinc/36/20/24/1021362024.db2.gz QPBVYLQZNXLITE-UHFFFAOYSA-N -1 1 329.743 3.721 20 0 EHADMM CCSCC[C@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000436922705 1021380236 /nfs/dbraw/zinc/38/02/36/1021380236.db2.gz ZRTYRCWEDMVSBC-JTQLQIEISA-N -1 1 346.290 3.758 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(F)cc3C)no2)c1 ZINC000436939094 1021400891 /nfs/dbraw/zinc/40/08/91/1021400891.db2.gz NRHQWIYBUNABNG-UHFFFAOYSA-N -1 1 327.315 3.515 20 0 EHADMM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(Cl)ccc1[O-] ZINC000436941223 1021401843 /nfs/dbraw/zinc/40/18/43/1021401843.db2.gz PDJIGAMCEPTSDH-PBHICJAKSA-N -1 1 349.789 3.835 20 0 EHADMM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436969110 1021416655 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Cc1cc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1F ZINC000426539074 1021862988 /nfs/dbraw/zinc/86/29/88/1021862988.db2.gz LDXHLCMATLFUDQ-UHFFFAOYSA-N -1 1 346.305 3.624 20 0 EHADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ocnc1C1CC1 ZINC000341467435 1022001670 /nfs/dbraw/zinc/00/16/70/1022001670.db2.gz DVUXYWVPNWYAKX-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM Cc1nc(CNCc2ccc(Cl)c(Cl)c2)ccc1C(=O)[O-] ZINC000426648650 1022140241 /nfs/dbraw/zinc/14/02/41/1022140241.db2.gz SAODNFJKLNAJAM-UHFFFAOYSA-N -1 1 325.195 3.685 20 0 EHADMM CCc1nc(SCc2cnc3c(cnn3C(C)C)c2)[n-]c(=O)c1C ZINC000581895385 1022189224 /nfs/dbraw/zinc/18/92/24/1022189224.db2.gz CWNDAODQTJLUFC-UHFFFAOYSA-N -1 1 343.456 3.671 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(F)c(Br)c1 ZINC000146480382 1022782152 /nfs/dbraw/zinc/78/21/52/1022782152.db2.gz SGCVKRQIFQCYTF-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1F ZINC000188572814 1022828513 /nfs/dbraw/zinc/82/85/13/1022828513.db2.gz RXFJAJQJSXLHKW-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1ccc(Cl)s1 ZINC000126811459 1022839041 /nfs/dbraw/zinc/83/90/41/1022839041.db2.gz LJVDTFUGTCHYFS-UHFFFAOYSA-N -1 1 331.850 3.583 20 0 EHADMM CCOc1cc(-c2noc([C@@H]3CC[C@@H](OC)C3)n2)cc(Cl)c1[O-] ZINC000664846590 1022918578 /nfs/dbraw/zinc/91/85/78/1022918578.db2.gz RGNCRARTTLZYGM-MWLCHTKSSA-N -1 1 338.791 3.777 20 0 EHADMM CCOc1cc(-c2noc([C@H](OC)C3CCC3)n2)cc(Cl)c1[O-] ZINC000664847208 1022977034 /nfs/dbraw/zinc/97/70/34/1022977034.db2.gz WMMRWQPFJQJSNO-CQSZACIVSA-N -1 1 338.791 3.982 20 0 EHADMM O=C([O-])Cc1ccccc1CNCc1ccc(Oc2ccccc2)o1 ZINC000426709058 1022994558 /nfs/dbraw/zinc/99/45/58/1022994558.db2.gz AGZKFMZYTCXCJK-UHFFFAOYSA-N -1 1 337.375 3.989 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC000438785185 1022996435 /nfs/dbraw/zinc/99/64/35/1022996435.db2.gz MXRPTKAGLGPUAT-UHFFFAOYSA-N -1 1 347.436 3.725 20 0 EHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000535656076 1023016486 /nfs/dbraw/zinc/01/64/86/1023016486.db2.gz OBNUXMPGDPDIRI-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM COc1ccccc1[C@H](NCc1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC000426768917 1023032750 /nfs/dbraw/zinc/03/27/50/1023032750.db2.gz DITRPLCVVIVWKI-IBGZPJMESA-N -1 1 343.423 3.646 20 0 EHADMM CCSc1cccc(CN[C@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000426772618 1023034395 /nfs/dbraw/zinc/03/43/95/1023034395.db2.gz FPBGGMUNMCDRKD-KRWDZBQOSA-N -1 1 331.437 3.723 20 0 EHADMM O=C([O-])C[C@H](NCc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000426809418 1023059705 /nfs/dbraw/zinc/05/97/05/1023059705.db2.gz VCWWSORMXZDGJA-HNNXBMFYSA-N -1 1 325.742 3.924 20 0 EHADMM CCc1ccc([C@H](NCc2cnc(-c3ccccc3)[nH]2)C(=O)[O-])cc1 ZINC000426812111 1023062193 /nfs/dbraw/zinc/06/21/93/1023062193.db2.gz PNCCAZRYHFAJJG-SFHVURJKSA-N -1 1 335.407 3.555 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc(Br)cs2)o1 ZINC000426812069 1023062228 /nfs/dbraw/zinc/06/22/28/1023062228.db2.gz WPEZAJFRMQRXJH-LLVKDONJSA-N -1 1 344.230 3.718 20 0 EHADMM O=C([O-])[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000426819137 1023064897 /nfs/dbraw/zinc/06/48/97/1023064897.db2.gz HJVSQSSCYNCLTI-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000078299720 1023150450 /nfs/dbraw/zinc/15/04/50/1023150450.db2.gz TXPBSXBIBGJTEG-ZWKOTPCHSA-N -1 1 346.434 3.725 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000193411217 1033110700 /nfs/dbraw/zinc/11/07/00/1033110700.db2.gz URUKDNGXFHPTRC-LBPRGKRZSA-N -1 1 346.386 3.531 20 0 EHADMM CC[C@@H](C)c1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)on1 ZINC000439073171 1023247721 /nfs/dbraw/zinc/24/77/21/1023247721.db2.gz SWLCZUCBCZZORH-SNVBAGLBSA-N -1 1 326.356 3.536 20 0 EHADMM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000198882867 1033123030 /nfs/dbraw/zinc/12/30/30/1033123030.db2.gz JERQNHUVBRVYJF-UHFFFAOYSA-N -1 1 337.419 3.744 20 0 EHADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000471946769 1023384529 /nfs/dbraw/zinc/38/45/29/1023384529.db2.gz BAXYFNOPDXJZOI-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000933921694 1023395374 /nfs/dbraw/zinc/39/53/74/1023395374.db2.gz ZYJSHZMDPPTTGQ-TZMCWYRMSA-N -1 1 327.380 3.725 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1C ZINC000548478178 1023443633 /nfs/dbraw/zinc/44/36/33/1023443633.db2.gz KDIXRARQDRIHMB-UHFFFAOYSA-N -1 1 330.409 3.594 20 0 EHADMM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000171209509 1033143070 /nfs/dbraw/zinc/14/30/70/1033143070.db2.gz FGDLYHSUOIRNLF-YVEFUNNKSA-N -1 1 331.799 3.648 20 0 EHADMM O=C([O-])C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1ccsc1 ZINC000277053319 1023724922 /nfs/dbraw/zinc/72/49/22/1023724922.db2.gz SOICMMMSDPGWGF-CQSZACIVSA-N -1 1 337.828 3.642 20 0 EHADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1Cl ZINC000181659743 1024031122 /nfs/dbraw/zinc/03/11/22/1024031122.db2.gz CWYBBGWXRGMJOQ-UHFFFAOYSA-N -1 1 341.864 3.610 20 0 EHADMM CC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H]2CCC[C@H]2O1 ZINC000441601250 1024165347 /nfs/dbraw/zinc/16/53/47/1024165347.db2.gz UETQFEOVKCJWJZ-SJLPKXTDSA-N -1 1 325.408 3.718 20 0 EHADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000152369712 1024232195 /nfs/dbraw/zinc/23/21/95/1024232195.db2.gz HUDCCTAISIAVRN-SNVBAGLBSA-N -1 1 346.290 3.758 20 0 EHADMM Cc1nc(CNCc2ccc(F)c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000277224399 1024258759 /nfs/dbraw/zinc/25/87/59/1024258759.db2.gz IAWYXVWSPNDCLM-UHFFFAOYSA-N -1 1 342.292 3.536 20 0 EHADMM Cc1ccc(-n2cc(NC(=O)c3ccc([O-])cc3F)cn2)c(C)c1 ZINC000191401418 1024299578 /nfs/dbraw/zinc/29/95/78/1024299578.db2.gz GDFYJKVSJCJVLP-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)c1cncc([O-])c1 ZINC000425157355 1024347475 /nfs/dbraw/zinc/34/74/75/1024347475.db2.gz HKYIUNLQNIFQIT-UHFFFAOYSA-N -1 1 338.329 3.511 20 0 EHADMM CCC1(CC)CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000094803784 1024352211 /nfs/dbraw/zinc/35/22/11/1024352211.db2.gz JCCAXNOZCKPEIO-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM O=S(=O)(Cc1csc(C2CCCCC2)n1)c1ccc([O-])cc1 ZINC000063927151 1024381580 /nfs/dbraw/zinc/38/15/80/1024381580.db2.gz RRLKROGMJLNQOX-UHFFFAOYSA-N -1 1 337.466 3.870 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)n1 ZINC000510013714 1024384079 /nfs/dbraw/zinc/38/40/79/1024384079.db2.gz KLNCHTPAQFRDME-CQSZACIVSA-N -1 1 349.818 3.618 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)s1 ZINC000052025496 1024485974 /nfs/dbraw/zinc/48/59/74/1024485974.db2.gz QJCFEYRMQPILFY-UHFFFAOYSA-N -1 1 329.418 3.784 20 0 EHADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cccc(Br)c1F ZINC001225765964 1024490851 /nfs/dbraw/zinc/49/08/51/1024490851.db2.gz OUWOHEHAGFJEQT-LURJTMIESA-N -1 1 345.193 3.513 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc2cccnc21 ZINC000427629156 1024515187 /nfs/dbraw/zinc/51/51/87/1024515187.db2.gz LERBRMYXCYPSFI-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Cl)c(F)c1 ZINC000346206833 1024529909 /nfs/dbraw/zinc/52/99/09/1024529909.db2.gz ZKAUOWBJAUTOHJ-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM Cc1nc(SCC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)[n-]c(=O)c1C ZINC000629169491 1024663619 /nfs/dbraw/zinc/66/36/19/1024663619.db2.gz MRGFKJYTFUIICV-GHMZBOCLSA-N -1 1 348.390 3.829 20 0 EHADMM CC[C@](C)([N-]S(=O)(=O)c1cccc2c(C)ccnc21)C(F)(F)F ZINC000548607701 1024681981 /nfs/dbraw/zinc/68/19/81/1024681981.db2.gz CCXGWSJYNSMGDS-AWEZNQCLSA-N -1 1 346.374 3.553 20 0 EHADMM Cc1cc(S(=O)(=O)Nc2csc3ccccc23)ccc1C(=O)[O-] ZINC000507919618 1024765896 /nfs/dbraw/zinc/76/58/96/1024765896.db2.gz KOXNSKHWZZTLDJ-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000277369003 1024779651 /nfs/dbraw/zinc/77/96/51/1024779651.db2.gz BDXXIYCIEXYNBD-MRVPVSSYSA-N -1 1 341.251 3.826 20 0 EHADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000330323532 1024780638 /nfs/dbraw/zinc/78/06/38/1024780638.db2.gz SYIJBLWQBXTULD-KSZLIROESA-N -1 1 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/nfs/dbraw/zinc/09/84/32/1025098432.db2.gz AICYFBQFDOEZOC-UHFFFAOYSA-N -1 1 335.400 3.514 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1 ZINC000520925141 1025123595 /nfs/dbraw/zinc/12/35/95/1025123595.db2.gz PIQYXUIZEZMIHF-UHFFFAOYSA-N -1 1 346.408 3.726 20 0 EHADMM CCSc1ccccc1CN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934268487 1025182522 /nfs/dbraw/zinc/18/25/22/1025182522.db2.gz CCYUVEVDRBLHRV-CQSZACIVSA-N -1 1 345.468 3.640 20 0 EHADMM O=S(=O)([N-]Cc1csc2ccccc12)c1cc(F)ccc1F ZINC000515527357 1025321617 /nfs/dbraw/zinc/32/16/17/1025321617.db2.gz WTOJXWREJVGEEQ-UHFFFAOYSA-N -1 1 339.388 3.658 20 0 EHADMM COc1cc(C(=O)Nc2ccc(C)c(OC)c2C)cc(Cl)c1[O-] ZINC000442645845 1025408709 /nfs/dbraw/zinc/40/87/09/1025408709.db2.gz JJDXNPYXAZUJGY-UHFFFAOYSA-N -1 1 335.787 3.932 20 0 EHADMM COc1ccc(OC)c(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000277495135 1025423036 /nfs/dbraw/zinc/42/30/36/1025423036.db2.gz XIPDCDUWXLFMMU-INIZCTEOSA-N -1 1 349.814 3.663 20 0 EHADMM COc1ccc(OC)c(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000277495141 1025423184 /nfs/dbraw/zinc/42/31/84/1025423184.db2.gz XIPDCDUWXLFMMU-MRXNPFEDSA-N -1 1 349.814 3.663 20 0 EHADMM COc1cc(C(=O)NCc2ccc(C(F)F)cc2)cc(Cl)c1[O-] ZINC000442824478 1025500631 /nfs/dbraw/zinc/50/06/31/1025500631.db2.gz SZLPSVPOLGNBER-UHFFFAOYSA-N -1 1 341.741 3.922 20 0 EHADMM COc1cc(C(=O)Nc2c[nH]nc2-c2ccccc2)cc(Cl)c1[O-] ZINC000442811937 1025506380 /nfs/dbraw/zinc/50/63/80/1025506380.db2.gz PQRKRDWUWGFPEF-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(C(F)F)cc1 ZINC000342450355 1025566884 /nfs/dbraw/zinc/56/68/84/1025566884.db2.gz PZMCPTQUYHXABH-UHFFFAOYSA-N -1 1 349.362 3.611 20 0 EHADMM COc1cc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cc(Cl)c1[O-] ZINC000442955947 1025608894 /nfs/dbraw/zinc/60/88/94/1025608894.db2.gz MQVOYSXXCBSTSQ-CQSZACIVSA-N -1 1 347.798 3.535 20 0 EHADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1c(F)cccc1Br ZINC001227385582 1025770228 /nfs/dbraw/zinc/77/02/28/1025770228.db2.gz JJLCCFRHCYHLMY-ZCFIWIBFSA-N -1 1 347.184 3.946 20 0 EHADMM O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc2ccccc2c1[O-] ZINC000436510369 1025804636 /nfs/dbraw/zinc/80/46/36/1025804636.db2.gz FXSDTRWESFUQMI-UHFFFAOYSA-N -1 1 338.388 3.773 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000436511416 1025809392 /nfs/dbraw/zinc/80/93/92/1025809392.db2.gz VYMVZZWPWJWQLE-UHFFFAOYSA-N -1 1 345.782 3.503 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2csc3ccccc23)c1 ZINC000436513336 1025810539 /nfs/dbraw/zinc/81/05/39/1025810539.db2.gz MTZZHYIVYFMSQG-UHFFFAOYSA-N -1 1 327.361 3.646 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c([O-])c1 ZINC000436531760 1025839259 /nfs/dbraw/zinc/83/92/59/1025839259.db2.gz WTFLWHZPJNHBJO-UHFFFAOYSA-N -1 1 332.787 3.520 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c([O-])c1 ZINC000436559256 1025885591 /nfs/dbraw/zinc/88/55/91/1025885591.db2.gz ZQHPBMYKKLBKCO-UHFFFAOYSA-N -1 1 332.787 3.520 20 0 EHADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C1(C)C 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CCC[N@H+]1CCc2c(N)sc(Nc3cc(C)cc(C(=O)[O-])c3)c2C1 ZINC001211543095 1025994171 /nfs/dbraw/zinc/99/41/71/1025994171.db2.gz WSZDXSKSTQGRIH-UHFFFAOYSA-N -1 1 345.468 3.849 20 0 EHADMM O=C(NCC1(c2ccccn2)CCC1)c1ccc2ccccc2c1[O-] ZINC000436681975 1026033087 /nfs/dbraw/zinc/03/30/87/1026033087.db2.gz TUBMPSKGYPDIQE-UHFFFAOYSA-N -1 1 332.403 3.792 20 0 EHADMM O=C(NCc1ccccc1Oc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436686503 1026041924 /nfs/dbraw/zinc/04/19/24/1026041924.db2.gz HPWLMOFHWXZTIK-UHFFFAOYSA-N -1 1 347.370 3.684 20 0 EHADMM CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436688139 1026042157 /nfs/dbraw/zinc/04/21/57/1026042157.db2.gz KOQJIPBTWKTWBF-UHFFFAOYSA-N -1 1 349.430 3.959 20 0 EHADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000323861952 1026054670 /nfs/dbraw/zinc/05/46/70/1026054670.db2.gz RLNRFMDXMVQBSS-UHFFFAOYSA-N -1 1 348.321 3.657 20 0 EHADMM CCc1ccc(CN(C)C(=O)c2cc(Br)ccc2[O-])cc1 ZINC000028813007 1026061892 /nfs/dbraw/zinc/06/18/92/1026061892.db2.gz 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EHADMM CC(C)C[C@H](NC(=O)C(C)(C)C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000453178233 1027458411 /nfs/dbraw/zinc/45/84/11/1027458411.db2.gz OPIAKYSOENZDEP-ZDUSSCGKSA-N -1 1 349.406 3.831 20 0 EHADMM [O-]C(=Cc1cccc(C(F)F)c1)Nc1nc(-c2ccccc2)ns1 ZINC000468268126 1027862012 /nfs/dbraw/zinc/86/20/12/1027862012.db2.gz OIRAHNGZOYOIAU-UHFFFAOYSA-N -1 1 345.374 3.746 20 0 EHADMM COc1cc2nc(-c3cc(C)c4ccccc4n3)[n-]c(=O)c2cc1OC ZINC000487504169 1028111890 /nfs/dbraw/zinc/11/18/90/1028111890.db2.gz RXQHOPULCKTUGK-UHFFFAOYSA-N -1 1 347.374 3.876 20 0 EHADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000134678109 1028138160 /nfs/dbraw/zinc/13/81/60/1028138160.db2.gz NVKLIRGAPXFKOW-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000614840986 1028161044 /nfs/dbraw/zinc/16/10/44/1028161044.db2.gz VQJMBAKZVBWWPR-UHFFFAOYSA-N -1 1 347.770 3.818 20 0 EHADMM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000614852867 1028210046 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EHADMM C[C@H](NC(=O)C1CCCCC1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445451369 1028785695 /nfs/dbraw/zinc/78/56/95/1028785695.db2.gz DUYQPKKTFDEXGC-JTQLQIEISA-N -1 1 349.818 3.853 20 0 EHADMM [O-]c1ccc(-c2noc(CCOCc3ccccc3)n2)c(Cl)c1 ZINC000445443253 1028800434 /nfs/dbraw/zinc/80/04/34/1028800434.db2.gz FYKYJGSEMUQDDP-UHFFFAOYSA-N -1 1 330.771 3.855 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc4c(c3)OCO4)n2)c(Cl)c1 ZINC000445447643 1028806693 /nfs/dbraw/zinc/80/66/93/1028806693.db2.gz IOUIABJEHJYXCF-QHHAFSJGSA-N -1 1 342.738 3.995 20 0 EHADMM [O-]c1ccc(-c2noc(C[C@H]3CCOc4ccccc43)n2)c(F)c1 ZINC000445458467 1028827009 /nfs/dbraw/zinc/82/70/09/1028827009.db2.gz XUCCEQNLIQWELU-LLVKDONJSA-N -1 1 326.327 3.690 20 0 EHADMM COc1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000445477060 1028834348 /nfs/dbraw/zinc/83/43/48/1028834348.db2.gz ALBZFLNGDWXIGU-XBXARRHUSA-N -1 1 342.326 3.769 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccnc(OC4CCC4)c3)n2)cc1F ZINC000445483232 1028844402 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EHADMM CC(C)c1noc([C@H](C)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000078901017 1029498273 /nfs/dbraw/zinc/49/82/73/1029498273.db2.gz UWVLAUUDKMRAOZ-ZDUSSCGKSA-N -1 1 343.427 3.555 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000080053497 1029581427 /nfs/dbraw/zinc/58/14/27/1029581427.db2.gz YBMROCLMLDPATH-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM C/C=C(/CC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000588574717 1029591031 /nfs/dbraw/zinc/59/10/31/1029591031.db2.gz PXNYSSSPTDIAST-BNNQUZSASA-N -1 1 344.436 3.782 20 0 EHADMM Cc1ccc(Nc2nc(CN3C[C@H](C(=O)[O-])C[C@H](C)C3)cs2)cc1 ZINC000263110625 1029667449 /nfs/dbraw/zinc/66/74/49/1029667449.db2.gz BSDSXXDVMLSKHH-UONOGXRCSA-N -1 1 345.468 3.738 20 0 EHADMM Cc1cc(C)nc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000446783181 1029799131 /nfs/dbraw/zinc/79/91/31/1029799131.db2.gz FGFNCINCASBWSK-UHFFFAOYSA-N -1 1 345.251 3.947 20 0 EHADMM CCC(CC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058143471 1029926811 /nfs/dbraw/zinc/92/68/11/1029926811.db2.gz KJDHALYRUDPYKO-UHFFFAOYSA-N -1 1 346.452 3.862 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(C)cc1 ZINC000509698194 1029975165 /nfs/dbraw/zinc/97/51/65/1029975165.db2.gz KQIPVHYVCIPRCG-HNNXBMFYSA-N -1 1 343.370 3.842 20 0 EHADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C2CCC2)cc1 ZINC000447265820 1030053231 /nfs/dbraw/zinc/05/32/31/1030053231.db2.gz ISFNRRJGRNINNR-UHFFFAOYSA-N -1 1 331.437 3.901 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000447265437 1030054022 /nfs/dbraw/zinc/05/40/22/1030054022.db2.gz GYPJHRPMHSYXNB-UHFFFAOYSA-N -1 1 329.421 3.958 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000481950460 1030128971 /nfs/dbraw/zinc/12/89/71/1030128971.db2.gz BKNOIWIGGUDVAB-UHFFFAOYSA-N -1 1 345.342 3.579 20 0 EHADMM COc1ccc(N(C)C(=O)c2ccc3ccccc3c2[O-])c(OC)c1 ZINC000157965136 1030215873 /nfs/dbraw/zinc/21/58/73/1030215873.db2.gz WPJLAIITPKTTKG-UHFFFAOYSA-N -1 1 337.375 3.839 20 0 EHADMM COc1cc(C(=O)Nc2nc3ccccc3s2)cc(Cl)c1[O-] ZINC000525953201 1030249770 /nfs/dbraw/zinc/24/97/70/1030249770.db2.gz OZSGJBHZLITHQT-UHFFFAOYSA-N -1 1 334.784 3.916 20 0 EHADMM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1c([O-])cccc1F ZINC000447711950 1030445213 /nfs/dbraw/zinc/44/52/13/1030445213.db2.gz AVMALZUJUMFFSX-ZDUSSCGKSA-N -1 1 331.240 3.546 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447792861 1030491782 /nfs/dbraw/zinc/49/17/82/1030491782.db2.gz ANIYBMYDYRGSQV-UHFFFAOYSA-N -1 1 349.305 3.675 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)nc2)cc1C(C)C ZINC000193717098 1030601734 /nfs/dbraw/zinc/60/17/34/1030601734.db2.gz PEAZCALMMPLBBI-UHFFFAOYSA-N -1 1 334.441 3.631 20 0 EHADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000157875892 1030927328 /nfs/dbraw/zinc/92/73/28/1030927328.db2.gz ARBWUZZTMJISOS-UHFFFAOYSA-N -1 1 349.477 3.943 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1c(F)cccc1Br ZINC000394784782 1030938724 /nfs/dbraw/zinc/93/87/24/1030938724.db2.gz 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1031665282 /nfs/dbraw/zinc/66/52/82/1031665282.db2.gz DEXOATWJPLVZLX-SFHVURJKSA-N -1 1 331.387 3.919 20 0 EHADMM COc1cc(C)cc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)c1OC ZINC000904045981 1031667464 /nfs/dbraw/zinc/66/74/64/1031667464.db2.gz TUVVIMKHVLGZAA-QGZVFWFLSA-N -1 1 343.423 3.626 20 0 EHADMM CCOc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000192789087 1031743645 /nfs/dbraw/zinc/74/36/45/1031743645.db2.gz YFYVHUYRPKSJGC-UHFFFAOYSA-N -1 1 345.826 3.906 20 0 EHADMM C[C@H](NC(=O)CC1CCCCC1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457635 1031892331 /nfs/dbraw/zinc/89/23/31/1031892331.db2.gz YYGCPDBJVOKWBM-NSHDSACASA-N -1 1 347.390 3.729 20 0 EHADMM CCCc1cc(=O)[n-]c(SCC(=O)c2cc(C)c(F)cc2F)n1 ZINC000484733572 1031920061 /nfs/dbraw/zinc/92/00/61/1031920061.db2.gz DNGBNGBTHKQLNT-UHFFFAOYSA-N -1 1 338.379 3.696 20 0 EHADMM O=c1cc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)nc(C2CC2)[nH]1 ZINC000459394113 1032056921 /nfs/dbraw/zinc/05/69/21/1032056921.db2.gz ZEYMZESNWUAIFI-UHFFFAOYSA-N -1 1 345.393 3.897 20 0 EHADMM Cc1c(C(=O)Nc2c([O-])cccc2F)cnn1-c1ccc(Cl)cc1 ZINC000608366222 1033639147 /nfs/dbraw/zinc/63/91/47/1033639147.db2.gz GHPOQYKOUBDHBC-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM COc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)cc3[O-])c2c1 ZINC000603550262 1033743512 /nfs/dbraw/zinc/74/35/12/1033743512.db2.gz DNLOAXHDMZSYDM-UHFFFAOYSA-N -1 1 344.798 3.508 20 0 EHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000460423473 1033770474 /nfs/dbraw/zinc/77/04/74/1033770474.db2.gz CLQAOYUSLYITAR-UHFFFAOYSA-N -1 1 333.409 3.514 20 0 EHADMM CC(C)(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588599 1033812733 /nfs/dbraw/zinc/81/27/33/1033812733.db2.gz ZHNDSUPTZHPTPT-UHFFFAOYSA-N -1 1 346.452 3.862 20 0 EHADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000120476568 1033849585 /nfs/dbraw/zinc/84/95/85/1033849585.db2.gz ULERGQHGIKWMKL-GHMZBOCLSA-N -1 1 326.234 3.663 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)CC2CCSCC2)c1 ZINC000537597550 1033890704 /nfs/dbraw/zinc/89/07/04/1033890704.db2.gz IGIBQJFOKSVQLG-UHFFFAOYSA-N -1 1 344.274 3.935 20 0 EHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000460436782 1033892009 /nfs/dbraw/zinc/89/20/09/1033892009.db2.gz JENFEIPRMKBACD-UHFFFAOYSA-N -1 1 347.436 3.556 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000476484386 1033933011 /nfs/dbraw/zinc/93/30/11/1033933011.db2.gz RQQOMTILSJGHAQ-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000476495402 1033957908 /nfs/dbraw/zinc/95/79/08/1033957908.db2.gz ZUSJRFISCMHORL-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM CC(C)c1ccc(-c2noc(CN3CCC(C)(C(=O)[O-])CC3)n2)cc1 ZINC000647372304 1034061098 /nfs/dbraw/zinc/06/10/98/1034061098.db2.gz JQGQZFRXARIIGZ-UHFFFAOYSA-N -1 1 343.427 3.547 20 0 EHADMM CC(=CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1Cl ZINC000171391644 1034370441 /nfs/dbraw/zinc/37/04/41/1034370441.db2.gz BMDNSGKECMJWKD-VOTSOKGWSA-N -1 1 330.697 3.519 20 0 EHADMM O=C(Cc1cccc(F)c1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000534594032 1034704087 /nfs/dbraw/zinc/70/40/87/1034704087.db2.gz MVLFINXMRHQXQK-UHFFFAOYSA-N -1 1 335.791 3.534 20 0 EHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000456763104 1034708358 /nfs/dbraw/zinc/70/83/58/1034708358.db2.gz BFCFXUGZSAVPGC-ORAYPTAESA-N -1 1 329.346 3.903 20 0 EHADMM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456795101 1034737240 /nfs/dbraw/zinc/73/72/40/1034737240.db2.gz SQJVAUJZPXUNEF-NSHDSACASA-N -1 1 335.350 3.886 20 0 EHADMM CC(=O)c1[n-]c(=N[C@H]2CCc3cc(F)c(F)c(F)c32)sc1C ZINC000450835873 1034841517 /nfs/dbraw/zinc/84/15/17/1034841517.db2.gz PPKFZGWVOJIUEQ-JTQLQIEISA-N -1 1 326.343 3.593 20 0 EHADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cccc(F)c1[O-] ZINC000530007272 1034854406 /nfs/dbraw/zinc/85/44/06/1034854406.db2.gz SZNLRHIRJUSNLF-NSHDSACASA-N -1 1 342.374 3.808 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000173522284 1035642580 /nfs/dbraw/zinc/64/25/80/1035642580.db2.gz BZOVNUVYKNNPJZ-PIGZYNQJSA-N -1 1 349.789 3.787 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc3c(c2)CCO3)cc(Cl)c1[O-] ZINC000186565449 1035659861 /nfs/dbraw/zinc/65/98/61/1035659861.db2.gz LCXGVOFMDXKYBE-UHFFFAOYSA-N -1 1 333.771 3.632 20 0 EHADMM CCc1nc([C@H](C)[N-]C(=O)C(F)(F)c2c(F)cccc2F)cs1 ZINC000756989855 1035708546 /nfs/dbraw/zinc/70/85/46/1035708546.db2.gz HYBNJEHWNPRUPM-QMMMGPOBSA-N -1 1 346.349 3.953 20 0 EHADMM Cc1noc(C)c1[C@H](C)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000669951280 1035839921 /nfs/dbraw/zinc/83/99/21/1035839921.db2.gz HXRPBNLRAYJORA-QMMMGPOBSA-N -1 1 345.786 3.690 20 0 EHADMM CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000457353298 1036019756 /nfs/dbraw/zinc/01/97/56/1036019756.db2.gz LCQJDLDPUWQMRP-UHFFFAOYSA-N -1 1 337.423 3.577 20 0 EHADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1cccc(F)c1 ZINC000174758528 1036079950 /nfs/dbraw/zinc/07/99/50/1036079950.db2.gz KOSMWOZZSSUFJM-UHFFFAOYSA-N -1 1 333.306 3.731 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1OC ZINC000629328951 1036113273 /nfs/dbraw/zinc/11/32/73/1036113273.db2.gz COCBDUQPJZLEOW-UHFFFAOYSA-N -1 1 349.452 3.766 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1C ZINC000588833076 1036148354 /nfs/dbraw/zinc/14/83/54/1036148354.db2.gz GTAIMRPCAAVAFR-UHFFFAOYSA-N -1 1 344.436 3.686 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1C ZINC000588833036 1036148704 /nfs/dbraw/zinc/14/87/04/1036148704.db2.gz DNSRDFPJJQLTSD-UHFFFAOYSA-N -1 1 344.436 3.605 20 0 EHADMM Cc1cc(C(=O)N[N-]C(=O)c2oc3c(c2C)c(C)ccc3C)c(C)o1 ZINC000056387764 1036256347 /nfs/dbraw/zinc/25/63/47/1036256347.db2.gz XSQMYNAXRPYNQY-UHFFFAOYSA-N -1 1 340.379 3.643 20 0 EHADMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000464372361 1036387432 /nfs/dbraw/zinc/38/74/32/1036387432.db2.gz GDYFFKWMEDCFGU-LURJTMIESA-N -1 1 336.162 3.613 20 0 EHADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000589435231 1036426406 /nfs/dbraw/zinc/42/64/06/1036426406.db2.gz BNGIOSBBYSTXNA-ZDUSSCGKSA-N -1 1 335.425 3.673 20 0 EHADMM CCCCOc1cccc([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000589433744 1036427458 /nfs/dbraw/zinc/42/74/58/1036427458.db2.gz LLCOKFDKXRHRQU-UHFFFAOYSA-N -1 1 335.425 3.675 20 0 EHADMM CCCCc1nc2ccc([N-]S(=O)(=O)c3cccs3)cc2[nH]1 ZINC000535388215 1036431132 /nfs/dbraw/zinc/43/11/32/1036431132.db2.gz LPAIIHAKARHJJU-UHFFFAOYSA-N -1 1 335.454 3.768 20 0 EHADMM COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c([O-])c1 ZINC000301947285 1036506943 /nfs/dbraw/zinc/50/69/43/1036506943.db2.gz ZPEFBFLKFVWJDV-UHFFFAOYSA-N -1 1 326.377 3.777 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)C1(F)F ZINC000628397174 1036507691 /nfs/dbraw/zinc/50/76/91/1036507691.db2.gz VWGIZHACMSGXKF-RKDXNWHRSA-N -1 1 337.288 3.774 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000176699593 1036677761 /nfs/dbraw/zinc/67/77/61/1036677761.db2.gz ZMIYPQMGRWEOGP-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1 ZINC000589980805 1036702639 /nfs/dbraw/zinc/70/26/39/1036702639.db2.gz NKAQLRBIWFHYET-UHFFFAOYSA-N -1 1 329.425 3.625 20 0 EHADMM Cc1ccc([C@@H](CN=c2nc(-c3ccccc3)[n-]s2)N(C)C)cc1 ZINC000462378458 1036900720 /nfs/dbraw/zinc/90/07/20/1036900720.db2.gz YSCYNNKZQLCJRT-QGZVFWFLSA-N -1 1 338.480 3.650 20 0 EHADMM CCOc1cc(C(=O)NCCOc2ccccc2C)cc(Cl)c1[O-] ZINC000186669064 1036969327 /nfs/dbraw/zinc/96/93/27/1036969327.db2.gz CLCLHQQMBXUGED-UHFFFAOYSA-N -1 1 349.814 3.562 20 0 EHADMM Cc1nc(SCc2nnc(-c3cccc(Cl)c3)o2)[n-]c(=O)c1C ZINC000539616199 1036983006 /nfs/dbraw/zinc/98/30/06/1036983006.db2.gz MCIXWCTVVQAQSN-UHFFFAOYSA-N -1 1 348.815 3.795 20 0 EHADMM CCOc1cc(C(=O)Nc2cc(CC)ccc2O)cc(Cl)c1[O-] ZINC000186963188 1037133817 /nfs/dbraw/zinc/13/38/17/1037133817.db2.gz PZDUTNSDNWRVGF-UHFFFAOYSA-N -1 1 335.787 3.965 20 0 EHADMM CS[C@H](CNC(=O)c1ccc(Br)c([O-])c1)C(C)(C)C ZINC000542456204 1037401046 /nfs/dbraw/zinc/40/10/46/1037401046.db2.gz QIDCYUCGTCLJIU-GFCCVEGCSA-N -1 1 346.290 3.662 20 0 EHADMM CCc1ccccc1-c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000573523893 1037594538 /nfs/dbraw/zinc/59/45/38/1037594538.db2.gz QNVIXSSVUQQTHM-UHFFFAOYSA-N -1 1 344.374 3.920 20 0 EHADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000172886084 1037721710 /nfs/dbraw/zinc/72/17/10/1037721710.db2.gz YPVFULQJEZHASM-UHFFFAOYSA-N -1 1 346.452 3.959 20 0 EHADMM CSc1ccc(O[C@@H](C)C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001625894302 1037723856 /nfs/dbraw/zinc/72/38/56/1037723856.db2.gz WPYGGNCQMYGDKT-VIFPVBQESA-N -1 1 339.363 3.798 20 0 EHADMM C[C@@H](C(=O)[N-]OCc1ccccc1)c1ccc(Br)cc1 ZINC000157545606 1037727658 /nfs/dbraw/zinc/72/76/58/1037727658.db2.gz BQTMGRDDOIHALD-GFCCVEGCSA-N -1 1 334.213 3.801 20 0 EHADMM COc1cccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182917274 1037924421 /nfs/dbraw/zinc/92/44/21/1037924421.db2.gz BOMWNXFMORUPOZ-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1[O-] ZINC000532622243 1037944701 /nfs/dbraw/zinc/94/47/01/1037944701.db2.gz OYEZKDZYVVVLIR-UHFFFAOYSA-N -1 1 330.142 3.856 20 0 EHADMM C[C@H](CSCCNCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000592461412 1037995104 /nfs/dbraw/zinc/99/51/04/1037995104.db2.gz FRECKUCACQIJML-SSDOTTSWSA-N -1 1 328.286 3.598 20 0 EHADMM O=C(Nc1ccn(Cc2ccccc2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000190955238 1038025492 /nfs/dbraw/zinc/02/54/92/1038025492.db2.gz QEYDRAXSBJLQBK-UHFFFAOYSA-N -1 1 342.786 3.934 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCSC[C@@H]1C1CCC1 ZINC000416103538 1038122395 /nfs/dbraw/zinc/12/23/95/1038122395.db2.gz CTHXRHVCLJYVIQ-QGZVFWFLSA-N -1 1 327.449 3.903 20 0 EHADMM O=C(CCCc1cccs1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339117668 1038340290 /nfs/dbraw/zinc/34/02/90/1038340290.db2.gz BYEIOQPAYOABFY-UHFFFAOYSA-N -1 1 327.409 3.805 20 0 EHADMM C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000910244903 1038784112 /nfs/dbraw/zinc/78/41/12/1038784112.db2.gz IJKPLVXSPWNUPF-ZBEGNZNMSA-N -1 1 349.390 3.566 20 0 EHADMM CCCOc1cccc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)c1 ZINC000432695912 1038801448 /nfs/dbraw/zinc/80/14/48/1038801448.db2.gz ABJAZXZPQMBITM-RAXLEYEMSA-N -1 1 342.395 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/nfs/dbraw/zinc/40/88/72/1039408872.db2.gz HALZBXWDDTYTEQ-INIZCTEOSA-N -1 1 329.444 3.538 20 0 EHADMM COCc1c(Br)cccc1NC(=O)c1ccccc1[O-] ZINC000156053996 1039498225 /nfs/dbraw/zinc/49/82/25/1039498225.db2.gz BZQLUTKDVFSGLR-UHFFFAOYSA-N -1 1 336.185 3.553 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@H](C)Oc3ccc(C)cc3)[nH][n-]2)s1 ZINC000500804460 1039518982 /nfs/dbraw/zinc/51/89/82/1039518982.db2.gz GYHSGMLWOWSTLU-ZDUSSCGKSA-N -1 1 341.436 3.583 20 0 EHADMM CCOc1cc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000480487191 1039612567 /nfs/dbraw/zinc/61/25/67/1039612567.db2.gz FJMCCSPDDHCKFL-HNNXBMFYSA-N -1 1 325.836 3.951 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)C2CCC2)cc1 ZINC000486079205 1039844964 /nfs/dbraw/zinc/84/49/64/1039844964.db2.gz LVBJFWLOWVIUCX-UHFFFAOYSA-N -1 1 347.411 3.918 20 0 EHADMM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1F ZINC000323696616 1039900251 /nfs/dbraw/zinc/90/02/51/1039900251.db2.gz SMODQYUPALXYTG-UHFFFAOYSA-N -1 1 340.395 3.610 20 0 EHADMM Cc1ccc([C@@H]2CCCN2C(=O)c2csc(=NC3CC3)[n-]2)cc1C ZINC000607055136 1039985587 /nfs/dbraw/zinc/98/55/87/1039985587.db2.gz FHDYUPXWPKOKBT-KRWDZBQOSA-N -1 1 341.480 3.733 20 0 EHADMM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(F)ccc2OC)cc1 ZINC000417572040 1040006647 /nfs/dbraw/zinc/00/66/47/1040006647.db2.gz GANYYYHAIRRCEI-KRWDZBQOSA-N -1 1 347.386 3.539 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c(Cl)c1 ZINC000479166755 1040010783 /nfs/dbraw/zinc/01/07/83/1040010783.db2.gz WBEWUJFZJYVWEI-LBPRGKRZSA-N -1 1 341.782 3.658 20 0 EHADMM Cc1cc(Br)c(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000417614664 1040083229 /nfs/dbraw/zinc/08/32/29/1040083229.db2.gz FJEZCGOLCSVWQX-MWLCHTKSSA-N -1 1 344.636 3.530 20 0 EHADMM CC(C)Oc1ccccc1CNCc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000417648179 1040112206 /nfs/dbraw/zinc/11/22/06/1040112206.db2.gz NJHXXOWORQKBJB-UHFFFAOYSA-N -1 1 335.350 3.740 20 0 EHADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000486567721 1040251640 /nfs/dbraw/zinc/25/16/40/1040251640.db2.gz RWFASLZGKDRPPZ-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC(C2CCCC2)C1 ZINC000555316145 1040390053 /nfs/dbraw/zinc/39/00/53/1040390053.db2.gz WMBDCWPCDNLWSW-UHFFFAOYSA-N -1 1 330.815 3.856 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000669045311 1040435954 /nfs/dbraw/zinc/43/59/54/1040435954.db2.gz HXOKZUWEZXIILM-AWEZNQCLSA-N -1 1 345.420 3.534 20 0 EHADMM CCOCCCCCC(=O)Nc1cccc([O-])c1Br ZINC000908718327 1040589143 /nfs/dbraw/zinc/58/91/43/1040589143.db2.gz VSQPREMLRBUGSH-UHFFFAOYSA-N -1 1 330.222 3.690 20 0 EHADMM CC(C)C[C@H](C)OCCC(=O)Nc1cccc([O-])c1Br ZINC000908709131 1040605254 /nfs/dbraw/zinc/60/52/54/1040605254.db2.gz KQGQLJOCUXEVKE-NSHDSACASA-N -1 1 344.249 3.935 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000187455492 1040864765 /nfs/dbraw/zinc/86/47/65/1040864765.db2.gz LKHVQJAYKXYEKA-JTQLQIEISA-N -1 1 337.753 3.954 20 0 EHADMM O=C(CO[C@@H]1CCCc2ccccc21)Nc1cc([O-])c(F)cc1F ZINC000909986421 1041097810 /nfs/dbraw/zinc/09/78/10/1041097810.db2.gz KHWBEKSTDRPOPH-QGZVFWFLSA-N -1 1 333.334 3.703 20 0 EHADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429906896 1041149062 /nfs/dbraw/zinc/14/90/62/1041149062.db2.gz XWXWYHFZWJDATN-SNVBAGLBSA-N -1 1 347.358 3.594 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000432190760 1041734644 /nfs/dbraw/zinc/73/46/44/1041734644.db2.gz GTSIVFQOTVLPFQ-UHFFFAOYSA-N -1 1 328.393 3.814 20 0 EHADMM O=S(=O)([N-][C@H]1CCc2c1cccc2Cl)c1cc(F)ccc1F ZINC000511891177 1042181987 /nfs/dbraw/zinc/18/19/87/1042181987.db2.gz PYLXFSUPOGSNFS-AWEZNQCLSA-N -1 1 343.782 3.584 20 0 EHADMM CC(C)(C)c1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000045947022 1042182019 /nfs/dbraw/zinc/18/20/19/1042182019.db2.gz BVZONDYNZBNMJZ-UHFFFAOYSA-N -1 1 340.349 3.692 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCCc2ccccc2C1 ZINC000062946119 1042324448 /nfs/dbraw/zinc/32/44/48/1042324448.db2.gz JHSGZGPTSZMBGK-UHFFFAOYSA-N -1 1 346.224 3.743 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1F ZINC000048652138 1042399681 /nfs/dbraw/zinc/39/96/81/1042399681.db2.gz XLAKXOHVWFVCKN-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM CN(Cc1csc(C(=O)[O-])c1)Cc1cc(Br)cs1 ZINC000652395447 1042444898 /nfs/dbraw/zinc/44/48/98/1042444898.db2.gz XLHQIFJPQLMUFC-UHFFFAOYSA-N -1 1 346.271 3.902 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)s1 ZINC000652435116 1042475182 /nfs/dbraw/zinc/47/51/82/1042475182.db2.gz ONDJNOCDZLNESN-LLVKDONJSA-N -1 1 337.828 3.753 20 0 EHADMM O=C([O-])c1cccc2c1CN(CCOc1ccc(F)cc1Cl)CC2 ZINC000652487462 1042504153 /nfs/dbraw/zinc/50/41/53/1042504153.db2.gz GQKKHDSSFZMQMH-UHFFFAOYSA-N -1 1 349.789 3.614 20 0 EHADMM COc1cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc(Cl)c1[O-] ZINC000344013901 1043102047 /nfs/dbraw/zinc/10/20/47/1043102047.db2.gz KDHKCULDHCKFDK-UHFFFAOYSA-N -1 1 344.798 3.774 20 0 EHADMM COc1cc(C)cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1C ZINC000279244370 1043634596 /nfs/dbraw/zinc/63/45/96/1043634596.db2.gz UGVYRVDEOULBKO-UHFFFAOYSA-N -1 1 343.427 3.666 20 0 EHADMM CC(C)(C)c1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ncn1 ZINC000663739911 1043884574 /nfs/dbraw/zinc/88/45/74/1043884574.db2.gz RHEHLFIEWOWMQK-UHFFFAOYSA-N -1 1 339.439 3.579 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000337786111 1044452020 /nfs/dbraw/zinc/45/20/20/1044452020.db2.gz XFCWMABVVZKHCC-UHFFFAOYSA-N -1 1 349.437 3.501 20 0 EHADMM COC(=O)c1c[n-]c(SCc2ccc(OC(C)C)c(Cl)c2)n1 ZINC000432654681 1044627941 /nfs/dbraw/zinc/62/79/41/1044627941.db2.gz HNVVLLGNUDFIKS-UHFFFAOYSA-N -1 1 340.832 3.929 20 0 EHADMM COC(=O)c1c[n-]c(SCCOc2cccc(C(C)(C)C)c2)n1 ZINC000432670768 1044663608 /nfs/dbraw/zinc/66/36/08/1044663608.db2.gz TXDJLCRIFWZBQW-UHFFFAOYSA-N -1 1 334.441 3.665 20 0 EHADMM COC(=O)c1cnc(S[C@H](C)C(=O)c2ccc(C(C)C)cc2)[n-]1 ZINC000432674781 1044731189 /nfs/dbraw/zinc/73/11/89/1044731189.db2.gz DVNSEVKFHKBKRI-LLVKDONJSA-N -1 1 332.425 3.683 20 0 EHADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)c2ccc(C(C)C)cc2)n1 ZINC000432674781 1044731201 /nfs/dbraw/zinc/73/12/01/1044731201.db2.gz DVNSEVKFHKBKRI-LLVKDONJSA-N -1 1 332.425 3.683 20 0 EHADMM CN(CCC1CC1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000154004200 1125682862 /nfs/dbraw/zinc/68/28/62/1125682862.db2.gz IBBCOCRXAZADPM-UHFFFAOYSA-N -1 1 334.416 3.611 20 0 EHADMM CS[C@@H]1CCCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000154305948 1125710337 /nfs/dbraw/zinc/71/03/37/1125710337.db2.gz FBMZYVBCFGLLFJ-LLVKDONJSA-N -1 1 344.274 3.512 20 0 EHADMM C[C@@H](Cc1cnc[nH]1)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000622481202 1126706064 /nfs/dbraw/zinc/70/60/64/1126706064.db2.gz KAOKNTZJWJJRLX-LURJTMIESA-N -1 1 348.617 3.893 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000336876657 1126813529 /nfs/dbraw/zinc/81/35/29/1126813529.db2.gz IBZZHQUVTJGUPA-CQSZACIVSA-N -1 1 349.818 3.609 20 0 EHADMM CCO[C@@H](C)c1ncc(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000350812431 1127104121 /nfs/dbraw/zinc/10/41/21/1127104121.db2.gz GVLMWYRVTCZZCT-QMMMGPOBSA-N -1 1 335.360 3.802 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1F ZINC000180017483 1127110350 /nfs/dbraw/zinc/11/03/50/1127110350.db2.gz BFBUHXKVDKYBDQ-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM CCOC(=O)c1cc(NC(=O)c2sccc2-c2ccccc2)n[nH]1 ZINC000180936744 1127192454 /nfs/dbraw/zinc/19/24/54/1127192454.db2.gz LJAZEQCRAKQYDD-UHFFFAOYSA-N -1 1 341.392 3.567 20 0 EHADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1nc2ccccc2s1 ZINC000184903289 1127416156 /nfs/dbraw/zinc/41/61/56/1127416156.db2.gz ZFHCUULATOZMDO-UHFFFAOYSA-N -1 1 327.413 3.645 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000194605761 1127463304 /nfs/dbraw/zinc/46/33/04/1127463304.db2.gz PTKRKDZHRRHQKR-UHFFFAOYSA-N -1 1 348.255 3.782 20 0 EHADMM Cc1cccc(NC(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c1C ZINC000195079743 1127473023 /nfs/dbraw/zinc/47/30/23/1127473023.db2.gz AZABDKXETFYOPM-LBPRGKRZSA-N -1 1 343.452 3.796 20 0 EHADMM CO[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1Cl ZINC000764341839 1127482810 /nfs/dbraw/zinc/48/28/10/1127482810.db2.gz LNYPKSYMERTEKY-AWEZNQCLSA-N -1 1 340.206 3.817 20 0 EHADMM O=C(NCc1csc(-c2ccco2)n1)c1c([O-])cccc1Cl ZINC000764341299 1127482841 /nfs/dbraw/zinc/48/28/41/1127482841.db2.gz FVLQCDKHDUOHBQ-UHFFFAOYSA-N -1 1 334.784 3.692 20 0 EHADMM Cc1cccc(C)c1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000764753018 1127528629 /nfs/dbraw/zinc/52/86/29/1127528629.db2.gz QGNVOVJTZTVSPV-UHFFFAOYSA-N -1 1 334.213 3.702 20 0 EHADMM CCSc1cccc([N-]S(=O)(=O)c2cccc(COC)c2)c1 ZINC000172113351 1127747982 /nfs/dbraw/zinc/74/79/82/1127747982.db2.gz QMFGBZADUQFMKY-UHFFFAOYSA-N -1 1 337.466 3.746 20 0 EHADMM Cn1cnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000031806557 1127841959 /nfs/dbraw/zinc/84/19/59/1127841959.db2.gz QATNWGOFWHLUSY-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1F ZINC000032586290 1127853615 /nfs/dbraw/zinc/85/36/15/1127853615.db2.gz XRBCLZSGDXTPRZ-UHFFFAOYSA-N -1 1 335.400 3.514 20 0 EHADMM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cccc([O-])c1F ZINC001626051263 1127887558 /nfs/dbraw/zinc/88/75/58/1127887558.db2.gz GKORRELIWQPYBF-UHFFFAOYSA-N -1 1 325.343 3.927 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CC=CCC2)cc1 ZINC000172396719 1127935394 /nfs/dbraw/zinc/93/53/94/1127935394.db2.gz KJZCIVCOFOYUEA-HNNXBMFYSA-N -1 1 342.468 3.531 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000057120236 1128037710 /nfs/dbraw/zinc/03/77/10/1128037710.db2.gz FUXPAIWIDDGCSN-UHFFFAOYSA-N -1 1 345.449 3.568 20 0 EHADMM O=C(NCc1cc2ccccc2[nH]1)c1ccc(Br)cc1[O-] ZINC000060471220 1128103060 /nfs/dbraw/zinc/10/30/60/1128103060.db2.gz JZUCONXEJBYOOS-UHFFFAOYSA-N -1 1 345.196 3.566 20 0 EHADMM Cc1cccc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1 ZINC000068435566 1128266686 /nfs/dbraw/zinc/26/66/86/1128266686.db2.gz CVDJOZBBNQVAQH-UHFFFAOYSA-N -1 1 344.484 3.850 20 0 EHADMM CC(C)n1c(C2CCN(C(=O)c3ccccc3F)CC2)n[n-]c1=S ZINC000068435340 1128266728 /nfs/dbraw/zinc/26/67/28/1128266728.db2.gz JSFOIBCIUGBKQB-UHFFFAOYSA-N -1 1 348.447 3.680 20 0 EHADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)C=C2CCCCC2)CC1 ZINC000068452840 1128267614 /nfs/dbraw/zinc/26/76/14/1128267614.db2.gz YRIGLOJZRUYKNC-UHFFFAOYSA-N -1 1 334.489 3.557 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)n[n-]1 ZINC001212429489 1128583536 /nfs/dbraw/zinc/58/35/36/1128583536.db2.gz HDDXLHUVGNVZJB-UHFFFAOYSA-N -1 1 330.347 3.996 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)[n-]n1 ZINC001212429489 1128583539 /nfs/dbraw/zinc/58/35/39/1128583539.db2.gz HDDXLHUVGNVZJB-UHFFFAOYSA-N -1 1 330.347 3.996 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc(Cl)cc2F)CC1 ZINC000677508799 1128822882 /nfs/dbraw/zinc/82/28/82/1128822882.db2.gz VDXLJUONYBPNPS-UHFFFAOYSA-N -1 1 334.778 3.679 20 0 EHADMM C[C@@H]1CCC[C@H](CNC(=O)c2cc(Br)ccc2[O-])C1 ZINC000235354543 1120041016 /nfs/dbraw/zinc/04/10/16/1120041016.db2.gz APAYMOQCEWCYRI-MNOVXSKESA-N -1 1 326.234 3.711 20 0 EHADMM CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ccc(F)c([O-])c1 ZINC001648852849 1120055330 /nfs/dbraw/zinc/05/53/30/1120055330.db2.gz LXWALMGWNAKWJW-LLVKDONJSA-N -1 1 348.443 3.775 20 0 EHADMM O=C(Nc1ccc2occc(=O)c2c1)c1ccc2ccccc2c1[O-] ZINC001648944532 1120243110 /nfs/dbraw/zinc/24/31/10/1120243110.db2.gz GJMODXCLWRYXOG-UHFFFAOYSA-N -1 1 331.327 3.904 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000187263389 1120492086 /nfs/dbraw/zinc/49/20/86/1120492086.db2.gz NFHPPWOARUEQMN-UHFFFAOYSA-N -1 1 348.424 3.618 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1[nH]nc(-c2ccc(C)o2)c1C ZINC000187580893 1120504620 /nfs/dbraw/zinc/50/46/20/1120504620.db2.gz LKKYZOLSCRJVFU-UHFFFAOYSA-N -1 1 345.424 3.650 20 0 EHADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000494469190 1120566870 /nfs/dbraw/zinc/56/68/70/1120566870.db2.gz KAUOICPOZMRYQZ-VXGBXAGGSA-N -1 1 334.416 3.610 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1nc(-c2ccccc2)cs1 ZINC000176543221 1120747468 /nfs/dbraw/zinc/74/74/68/1120747468.db2.gz GRDIAUJDYDPWCL-QMMMGPOBSA-N -1 1 332.322 3.888 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N(C)CCCCc3ccccc3)cnc2n1 ZINC000193856835 1120804312 /nfs/dbraw/zinc/80/43/12/1120804312.db2.gz SMRDQUVGOOLUHG-UHFFFAOYSA-N -1 1 349.434 3.739 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CCCCc1ccccc1)c2=O ZINC000193856835 1120804314 /nfs/dbraw/zinc/80/43/14/1120804314.db2.gz SMRDQUVGOOLUHG-UHFFFAOYSA-N -1 1 349.434 3.739 20 0 EHADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000227535699 1120891694 /nfs/dbraw/zinc/89/16/94/1120891694.db2.gz DDCWFEPOMGWVJQ-ZYHUDNBSSA-N -1 1 326.234 3.853 20 0 EHADMM Cc1cc(-c2noc(-c3cccc(Cl)c3[O-])n2)cc2nc[nH]c21 ZINC000762181111 1121158126 /nfs/dbraw/zinc/15/81/26/1121158126.db2.gz XEHZMASNQMGFCM-UHFFFAOYSA-N -1 1 326.743 3.947 20 0 EHADMM CSc1cc(O)ccc1[N-]C(=O)c1c(C)noc1C(F)(F)F ZINC000754732899 1121307036 /nfs/dbraw/zinc/30/70/36/1121307036.db2.gz UZVALOKMDZAQID-UHFFFAOYSA-N -1 1 332.303 3.682 20 0 EHADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)oc1C ZINC000054294023 1121751168 /nfs/dbraw/zinc/75/11/68/1121751168.db2.gz JYCHJSYYRADXDS-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c(C)c1 ZINC000032585516 1121965170 /nfs/dbraw/zinc/96/51/70/1121965170.db2.gz HHVJITQECZCNFE-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)OC)c1C ZINC000496212279 1122012151 /nfs/dbraw/zinc/01/21/51/1122012151.db2.gz JYAQOSGZACCZMN-UHFFFAOYSA-N -1 1 348.424 3.537 20 0 EHADMM COc1ccc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000067739038 1122532536 /nfs/dbraw/zinc/53/25/36/1122532536.db2.gz YADLBWRDXXCRDV-XBXARRHUSA-N -1 1 333.771 3.715 20 0 EHADMM Cc1ccc(CCN(Cc2ccco2)C(=O)c2ncccc2[O-])cc1 ZINC000128170092 1122535437 /nfs/dbraw/zinc/53/54/37/1122535437.db2.gz LDRAPXKJNYPUQM-UHFFFAOYSA-N -1 1 336.391 3.574 20 0 EHADMM Cc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000917824215 1122693003 /nfs/dbraw/zinc/69/30/03/1122693003.db2.gz NOARZZQVNMCCNG-UHFFFAOYSA-N -1 1 344.842 3.707 20 0 EHADMM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000129525894 1122795565 /nfs/dbraw/zinc/79/55/65/1122795565.db2.gz BNXYZLHUFARCCG-UHFFFAOYSA-N -1 1 326.183 3.865 20 0 EHADMM CCn1c(C)cc(C([O-])=C[S@](=O)Cc2ccc(C)c(C)c2)c1C ZINC000129763246 1122845711 /nfs/dbraw/zinc/84/57/11/1122845711.db2.gz WLAUDMYXWRGKGQ-QHCPKHFHSA-N -1 1 331.481 3.873 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000132359357 1123221323 /nfs/dbraw/zinc/22/13/23/1123221323.db2.gz BVZAMAWCUXBBMV-UHFFFAOYSA-N -1 1 345.402 3.654 20 0 EHADMM CC[C@@H](NCc1nncn1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000155175930 1123278070 /nfs/dbraw/zinc/27/80/70/1123278070.db2.gz ITTCCHOTWAKEJA-LLVKDONJSA-N -1 1 329.231 3.551 20 0 EHADMM CC(C)OCc1ccccc1CNC(=O)c1c([O-])cccc1Cl ZINC000920446501 1123370173 /nfs/dbraw/zinc/37/01/73/1123370173.db2.gz XHHHQFZBABWUJL-UHFFFAOYSA-N -1 1 333.815 3.901 20 0 EHADMM C[C@@H]1CCCC[C@H]1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000920727758 1123416236 /nfs/dbraw/zinc/41/62/36/1123416236.db2.gz LVNCCSCKEGTTFA-OLZOCXBDSA-N -1 1 330.380 3.758 20 0 EHADMM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cc2ccccc2o1 ZINC000133905451 1123461045 /nfs/dbraw/zinc/46/10/45/1123461045.db2.gz LQFZMEHUXZPTLT-CQSZACIVSA-N -1 1 345.445 3.948 20 0 EHADMM O=S(=O)([N-][C@H]1CCSc2ccccc21)c1cc2ccccc2o1 ZINC000133905653 1123461107 /nfs/dbraw/zinc/46/11/07/1123461107.db2.gz LQFZMEHUXZPTLT-AWEZNQCLSA-N -1 1 345.445 3.948 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1ccc(Cl)s1 ZINC000499640664 1129136100 /nfs/dbraw/zinc/13/61/00/1129136100.db2.gz IXZFMDKVYFVWCG-MRVPVSSYSA-N -1 1 329.821 3.505 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000080326513 1123751563 /nfs/dbraw/zinc/75/15/63/1123751563.db2.gz PNGKRFPGICRHKH-UHFFFAOYSA-N -1 1 346.383 3.954 20 0 EHADMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000615741996 1123867738 /nfs/dbraw/zinc/86/77/38/1123867738.db2.gz RDZUDSKYHXVHRI-CMPLNLGQSA-N -1 1 338.329 3.743 20 0 EHADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Br)c([O-])c1 ZINC000246306662 1124080955 /nfs/dbraw/zinc/08/09/55/1124080955.db2.gz QHAUGXYZZXVODY-UHIISALHSA-N -1 1 338.245 3.948 20 0 EHADMM CC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000085590437 1124631008 /nfs/dbraw/zinc/63/10/08/1124631008.db2.gz DRNSMROJPIYMCZ-UHFFFAOYSA-N -1 1 334.169 3.610 20 0 EHADMM Cc1ccc(C)n1C1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000630864464 1124872875 /nfs/dbraw/zinc/87/28/75/1124872875.db2.gz PFYCVPBCWBZFDC-UHFFFAOYSA-N -1 1 346.858 3.870 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N2c3ccccc3C(C)(C)[C@@H]2C)c1 ZINC000619018139 1125265880 /nfs/dbraw/zinc/26/58/80/1125265880.db2.gz BLZQQWTYTPHJOD-LBPRGKRZSA-N -1 1 338.407 3.677 20 0 EHADMM O=c1cc(CN(Cc2ccccc2)CC(F)F)c2ccc([O-])cc2o1 ZINC000182398116 1125274210 /nfs/dbraw/zinc/27/42/10/1125274210.db2.gz XWDFPUPOZVWTHL-UHFFFAOYSA-N -1 1 345.345 3.766 20 0 EHADMM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)C12CCC2 ZINC000619100693 1125281080 /nfs/dbraw/zinc/28/10/80/1125281080.db2.gz CIZILRGCYOATOF-STQMWFEESA-N -1 1 339.382 3.527 20 0 EHADMM Cc1cncc(/C=C/C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182902120 1125394220 /nfs/dbraw/zinc/39/42/20/1125394220.db2.gz MPRRXZSRQKCPQE-ONEGZZNKSA-N -1 1 347.212 3.818 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2c(F)ccc(F)c2OC)s1 ZINC000152983403 1125411150 /nfs/dbraw/zinc/41/11/50/1125411150.db2.gz DMNYSOYLYUNRIQ-UHFFFAOYSA-N -1 1 341.383 3.810 20 0 EHADMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000735704399 1131373615 /nfs/dbraw/zinc/37/36/15/1131373615.db2.gz ZVZUXSRSVCWTTP-NHYWBVRUSA-N -1 1 325.836 3.617 20 0 EHADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1coc(C2CCC2)n1 ZINC000588596142 1129482929 /nfs/dbraw/zinc/48/29/29/1129482929.db2.gz KSKVEYVTQSYFDX-SREVYHEPSA-N -1 1 342.380 3.809 20 0 EHADMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000673982505 1129932727 /nfs/dbraw/zinc/93/27/27/1129932727.db2.gz NFQBLPMYZSSWGO-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM O=C(c1cncc([O-])c1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000171862102 1130094272 /nfs/dbraw/zinc/09/42/72/1130094272.db2.gz XEUOHEJZLNFLHC-FQEVSTJZSA-N -1 1 330.387 3.575 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CC(c2nc3ccccc3[nH]2)C1 ZINC000675049731 1130247621 /nfs/dbraw/zinc/24/76/21/1130247621.db2.gz IWJRGHNUJYZCGG-UHFFFAOYSA-N -1 1 343.386 3.661 20 0 EHADMM Cc1ccc(Nc2nc(CN3CCC[C@H](CC(=O)[O-])C3)cs2)cc1 ZINC000676234318 1130549090 /nfs/dbraw/zinc/54/90/90/1130549090.db2.gz ZGFLPHFRNYMBND-CQSZACIVSA-N -1 1 345.468 3.882 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)c(Cl)c1 ZINC000731782962 1130846520 /nfs/dbraw/zinc/84/65/20/1130846520.db2.gz SNPAKAPVTRBLRI-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM CC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)s1 ZINC000732943717 1130975197 /nfs/dbraw/zinc/97/51/97/1130975197.db2.gz ASYKGRJYJZLPLO-UHFFFAOYSA-N -1 1 347.396 3.861 20 0 EHADMM O=C(c1ccccc1)C1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000144451709 1131165044 /nfs/dbraw/zinc/16/50/44/1131165044.db2.gz RBDBCFMOZRSZRH-UHFFFAOYSA-N -1 1 343.810 3.781 20 0 EHADMM CCO[C@H](C)c1nc(COC(=O)c2c([O-])cc(F)cc2F)cs1 ZINC000736803949 1131436451 /nfs/dbraw/zinc/43/64/51/1131436451.db2.gz YLCQJUJHGMBASE-MRVPVSSYSA-N -1 1 343.351 3.581 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2O)c([O-])c1 ZINC000740921775 1131558587 /nfs/dbraw/zinc/55/85/87/1131558587.db2.gz DBCCKGPOMPKTPD-UHFFFAOYSA-N -1 1 344.367 3.697 20 0 EHADMM CC(C)(C)CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740923555 1131558593 /nfs/dbraw/zinc/55/85/93/1131558593.db2.gz ICNYABRHXLOQAF-UHFFFAOYSA-N -1 1 336.432 3.905 20 0 EHADMM CC(C)Oc1cccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689546 1131899710 /nfs/dbraw/zinc/89/97/10/1131899710.db2.gz ITUHNCSQCPGRIP-UHFFFAOYSA-N -1 1 338.289 3.933 20 0 EHADMM CC(C)Oc1cccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689546 1131899717 /nfs/dbraw/zinc/89/97/17/1131899717.db2.gz ITUHNCSQCPGRIP-UHFFFAOYSA-N -1 1 338.289 3.933 20 0 EHADMM Cc1nocc1[N-]c1sc2c(c1C(=O)OC(C)(C)C)CCOC2 ZINC001212719577 1132031870 /nfs/dbraw/zinc/03/18/70/1132031870.db2.gz VECQOVWPNOHRTO-UHFFFAOYSA-N -1 1 336.413 3.816 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc3ccc(C)nc32)c1 ZINC000745112310 1132198939 /nfs/dbraw/zinc/19/89/39/1132198939.db2.gz WRHCITDTWYBAMO-UHFFFAOYSA-N -1 1 349.386 3.851 20 0 EHADMM O=C(OCc1cc(-c2cccs2)on1)c1c([O-])cc(F)cc1F ZINC000745522832 1132261143 /nfs/dbraw/zinc/26/11/43/1132261143.db2.gz OOGDYMZYBUHUTJ-UHFFFAOYSA-N -1 1 337.303 3.744 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c(C)o1 ZINC000183126104 1132332182 /nfs/dbraw/zinc/33/21/82/1132332182.db2.gz DECPHPUSLJWVGT-UHFFFAOYSA-N -1 1 345.424 3.841 20 0 EHADMM CCOc1cc(C(=O)NCC(C)(C)c2ccncc2)cc(Cl)c1[O-] ZINC000186983162 1132427100 /nfs/dbraw/zinc/42/71/00/1132427100.db2.gz WQXKRZSMNIKSRX-UHFFFAOYSA-N -1 1 348.830 3.547 20 0 EHADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001212766925 1132490355 /nfs/dbraw/zinc/49/03/55/1132490355.db2.gz GBXLLPZFYABTAY-UHFFFAOYSA-N -1 1 348.362 3.765 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1CCCC[C@H]1C1CC1 ZINC001168921577 1132606559 /nfs/dbraw/zinc/60/65/59/1132606559.db2.gz DKELUNHNVKFFAX-IRXDYDNUSA-N -1 1 325.412 3.733 20 0 EHADMM Cn1ncc2c1cccc2Nc1ccc(F)c(Br)c1[O-] ZINC001175438110 1132669856 /nfs/dbraw/zinc/66/98/56/1132669856.db2.gz CEWZFRDNTWLWES-UHFFFAOYSA-N -1 1 336.164 3.924 20 0 EHADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(OC)c(OC)c1 ZINC000804325380 1132769103 /nfs/dbraw/zinc/76/91/03/1132769103.db2.gz QQLZHUPCBVWYMK-CYBMUJFWSA-N -1 1 349.814 3.944 20 0 EHADMM O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc([O-])cc1F ZINC000773567871 1132904246 /nfs/dbraw/zinc/90/42/46/1132904246.db2.gz YUIXXIFVFQDYOI-UHFFFAOYSA-N -1 1 348.717 3.592 20 0 EHADMM Cc1cc2oc(=O)cc(COC(=O)c3ccc([O-])cc3F)c2cc1C ZINC000773572760 1132923246 /nfs/dbraw/zinc/92/32/46/1132923246.db2.gz WUJRMKAKLUNPHH-UHFFFAOYSA-N -1 1 342.322 3.612 20 0 EHADMM CSc1cc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])ccc1F ZINC000767041536 1132937679 /nfs/dbraw/zinc/93/76/79/1132937679.db2.gz GGEOGIXAHGNOCK-UHFFFAOYSA-N -1 1 348.395 3.855 20 0 EHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(Cc2ccncc2)n1 ZINC001176664397 1132978706 /nfs/dbraw/zinc/97/87/06/1132978706.db2.gz XSXPWRJXDZHLJS-UHFFFAOYSA-N -1 1 334.301 3.501 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2cnc(Br)s2)c1F ZINC001176664621 1132978723 /nfs/dbraw/zinc/97/87/23/1132978723.db2.gz VMHYULZWONRGAV-UHFFFAOYSA-N -1 1 325.109 3.772 20 0 EHADMM CC1(C)Oc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2NC1=O ZINC001176672187 1132979480 /nfs/dbraw/zinc/97/94/80/1132979480.db2.gz VIALXHNIVTZCLD-UHFFFAOYSA-N -1 1 338.285 3.663 20 0 EHADMM CCc1cc(S(C)(=O)=O)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673403 1132979686 /nfs/dbraw/zinc/97/96/86/1132979686.db2.gz FWFMTOKWINTEON-UHFFFAOYSA-N -1 1 345.342 3.519 20 0 EHADMM COc1ccc(NC(C)=O)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671392 1132979810 /nfs/dbraw/zinc/97/98/10/1132979810.db2.gz BTGLKAPIKWJECK-UHFFFAOYSA-N -1 1 326.274 3.520 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000767302743 1132980054 /nfs/dbraw/zinc/98/00/54/1132980054.db2.gz WAUDIONDKDAGOE-AWEZNQCLSA-N -1 1 349.789 3.868 20 0 EHADMM CC1(C)CNC(=O)c2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176674118 1132980675 /nfs/dbraw/zinc/98/06/75/1132980675.db2.gz QLYWQUWHJPIIPN-UHFFFAOYSA-N -1 1 336.313 3.574 20 0 EHADMM COc1cc(Br)cnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176661757 1132986630 /nfs/dbraw/zinc/98/66/30/1132986630.db2.gz CMCNUGUIGCBHFV-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(C(=O)OC(C)(C)C)n1 ZINC001176662527 1132986654 /nfs/dbraw/zinc/98/66/54/1132986654.db2.gz PDRVZESESKMXQL-UHFFFAOYSA-N -1 1 343.305 3.841 20 0 EHADMM O=C(COc1cccc2ccccc21)NCc1ccc([O-])c(Cl)c1 ZINC001176988548 1133019001 /nfs/dbraw/zinc/01/90/01/1133019001.db2.gz NPYHLHHXMQQSRS-UHFFFAOYSA-N -1 1 341.794 3.894 20 0 EHADMM O=C(C[C@H](c1ccccc1)C(F)(F)F)[N-]Oc1ccccc1F ZINC001177109976 1133032391 /nfs/dbraw/zinc/03/23/91/1133032391.db2.gz YMFUMFJZZJVBQG-GFCCVEGCSA-N -1 1 327.277 3.972 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)N(C)C)c([O-])c1 ZINC000768608631 1133162975 /nfs/dbraw/zinc/16/29/75/1133162975.db2.gz VNMVHOUGKZMJPB-UHFFFAOYSA-N -1 1 344.386 3.609 20 0 EHADMM O=C(Cc1ncccc1C(F)F)Nc1cccc(C(F)(F)F)c1[O-] ZINC001178439394 1133164686 /nfs/dbraw/zinc/16/46/86/1133164686.db2.gz AUAUMJSEGVGWKO-UHFFFAOYSA-N -1 1 346.255 3.925 20 0 EHADMM C[C@@H](CCC(=O)NCCc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001178784870 1133198072 /nfs/dbraw/zinc/19/80/72/1133198072.db2.gz KHJDGEGNZLSLFW-ZDUSSCGKSA-N -1 1 333.378 3.913 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1COC[C@@H]1c1ccccc1 ZINC001179660357 1133267554 /nfs/dbraw/zinc/26/75/54/1133267554.db2.gz QZOKEFHLTVDUPD-NEPJUHHUSA-N -1 1 335.762 3.553 20 0 EHADMM CC(C)Cc1coc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC001180596385 1133397217 /nfs/dbraw/zinc/39/72/17/1133397217.db2.gz PMNWMFIWEXTKFQ-UHFFFAOYSA-N -1 1 328.290 3.850 20 0 EHADMM CC(C)(C)C1CCN(Cc2ncc(Br)cc2[O-])CC1 ZINC001180917680 1133428961 /nfs/dbraw/zinc/42/89/61/1133428961.db2.gz ZKUFBTDEDYKPKE-UHFFFAOYSA-N -1 1 327.266 3.808 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(Cl)nc(Cl)c3)n2)cc1F ZINC000771226774 1133523084 /nfs/dbraw/zinc/52/30/84/1133523084.db2.gz XOGAZKFPHNBABE-UHFFFAOYSA-N -1 1 326.114 3.950 20 0 EHADMM CC(C)Cc1ccc(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001181820887 1133535356 /nfs/dbraw/zinc/53/53/56/1133535356.db2.gz RDOJGVNXRUQVAE-UHFFFAOYSA-N -1 1 349.434 3.958 20 0 EHADMM COc1c(Br)cccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001250037098 1133577754 /nfs/dbraw/zinc/57/77/54/1133577754.db2.gz FHMKQAYDIINULL-UHFFFAOYSA-N -1 1 326.194 3.882 20 0 EHADMM C[C@@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)c2ccccc21 ZINC000774089560 1133600609 /nfs/dbraw/zinc/60/06/09/1133600609.db2.gz NKSDMFFEVPTGCO-GFCCVEGCSA-N -1 1 338.436 3.562 20 0 EHADMM CCCc1cc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)n[nH]1 ZINC001182758913 1133724303 /nfs/dbraw/zinc/72/43/03/1133724303.db2.gz RHCJALUSFHHKRN-UHFFFAOYSA-N -1 1 330.775 3.522 20 0 EHADMM CC(C)CSCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001183135230 1133772919 /nfs/dbraw/zinc/77/29/19/1133772919.db2.gz JEIJUVOPHWTYEQ-UHFFFAOYSA-N -1 1 338.860 3.713 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1CC12CCC(F)(F)CC2 ZINC001183595225 1133832703 /nfs/dbraw/zinc/83/27/03/1133832703.db2.gz FBQQNQOPUKUOKJ-AWEZNQCLSA-N -1 1 347.365 3.732 20 0 EHADMM CC(C)(C)O[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000788159556 1134090634 /nfs/dbraw/zinc/09/06/34/1134090634.db2.gz ZRWRVEGUHHWZGD-AWEZNQCLSA-N -1 1 334.803 3.936 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc([C@@H](C)O)c2)ccc1Cl ZINC001185484267 1134096248 /nfs/dbraw/zinc/09/62/48/1134096248.db2.gz DMHICICELJHMFX-LLVKDONJSA-N -1 1 325.817 3.503 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)ccc1Cl ZINC001185495903 1134098683 /nfs/dbraw/zinc/09/86/83/1134098683.db2.gz DELHCNDQVUOJQG-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2cc(O)ccc21 ZINC001185836247 1134139395 /nfs/dbraw/zinc/13/93/95/1134139395.db2.gz KSQOHUBJEQARHI-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)C2CC2)cc1 ZINC001185837401 1134140117 /nfs/dbraw/zinc/14/01/17/1134140117.db2.gz ZUFIGKVQCLTJQO-UHFFFAOYSA-N -1 1 333.384 3.528 20 0 EHADMM CCCC[C@H](CC)COCCCNC(=O)c1ccc([O-])c(F)c1 ZINC001186236244 1134183994 /nfs/dbraw/zinc/18/39/94/1134183994.db2.gz DBJQAEHQZSDZMC-AWEZNQCLSA-N -1 1 325.424 3.884 20 0 EHADMM O=S(=O)([N-]c1ccc2sccc2c1)c1ccc2nsnc2c1 ZINC001186271734 1134191169 /nfs/dbraw/zinc/19/11/69/1134191169.db2.gz YONMTVPMHGUOMR-UHFFFAOYSA-N -1 1 347.446 3.707 20 0 EHADMM O=C(NCC(=O)c1ccc([O-])cc1)Nc1cc(Cl)cc(Cl)c1 ZINC001187169787 1134311087 /nfs/dbraw/zinc/31/10/87/1134311087.db2.gz JCLXGIKVNKTPHF-UHFFFAOYSA-N -1 1 339.178 3.703 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(Cl)cc2cccnc21 ZINC000789930256 1134345483 /nfs/dbraw/zinc/34/54/83/1134345483.db2.gz PPAQWJNQYRFKMF-UHFFFAOYSA-N -1 1 334.162 3.895 20 0 EHADMM Cc1cc(OC(F)F)c(C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000789931212 1134345958 /nfs/dbraw/zinc/34/59/58/1134345958.db2.gz ATYRSBJIPAZPSZ-UHFFFAOYSA-N -1 1 334.731 3.664 20 0 EHADMM Cc1c(C(=O)Nc2nc(Cl)ccc2[O-])sc2nccc(C)c12 ZINC000790046515 1134359834 /nfs/dbraw/zinc/35/98/34/1134359834.db2.gz GYLXLQPEKXKION-UHFFFAOYSA-N 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/nfs/dbraw/zinc/44/51/98/1134445198.db2.gz ROIMOHOFSDHWNO-UHFFFAOYSA-N -1 1 346.312 3.930 20 0 EHADMM Nc1ccc(-c2ccc(NC(=O)c3nc(C(F)(F)F)c[n-]3)cc2)cc1 ZINC001188288296 1134445200 /nfs/dbraw/zinc/44/52/00/1134445200.db2.gz ROIMOHOFSDHWNO-UHFFFAOYSA-N -1 1 346.312 3.930 20 0 EHADMM O=C(c1cc(Nc2c([O-])cc(F)cc2F)ccc1F)N1CCCC1 ZINC001188436432 1134463113 /nfs/dbraw/zinc/46/31/13/1134463113.db2.gz GBLPHXBGRJPQRL-UHFFFAOYSA-N -1 1 336.313 3.789 20 0 EHADMM O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188562638 1134476375 /nfs/dbraw/zinc/47/63/75/1134476375.db2.gz HQFXDYQXDUSIGM-UHFFFAOYSA-N -1 1 347.296 3.849 20 0 EHADMM O=C(Nc1cccc2[nH]c(=O)ccc12)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188589010 1134485684 /nfs/dbraw/zinc/48/56/84/1134485684.db2.gz KSMWIEGZKZGTRA-UHFFFAOYSA-N -1 1 348.280 3.917 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Nc2cc(Cl)ccc2C)c1 ZINC001188729023 1134502541 /nfs/dbraw/zinc/50/25/41/1134502541.db2.gz POVQUGSRNXMYLF-UHFFFAOYSA-N -1 1 334.759 3.785 20 0 EHADMM CC(=O)c1sccc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189075838 1134542453 /nfs/dbraw/zinc/54/24/53/1134542453.db2.gz LJNKDBHXXIFKCA-UHFFFAOYSA-N -1 1 343.857 3.589 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1F ZINC001189346904 1134566932 /nfs/dbraw/zinc/56/69/32/1134566932.db2.gz ANYXSILWINHECW-UHFFFAOYSA-N -1 1 349.358 3.927 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(F)c2ccccc21 ZINC001189384850 1134577663 /nfs/dbraw/zinc/57/76/63/1134577663.db2.gz FDXBWBLRXFWQGS-UHFFFAOYSA-N -1 1 343.379 3.715 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2cccc3c(C)c(C)[nH]c32)c(OC)c1 ZINC001190146279 1134660751 /nfs/dbraw/zinc/66/07/51/1134660751.db2.gz WPKRJBCFXZFQBC-UHFFFAOYSA-N -1 1 340.379 3.760 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1Cl ZINC001190404852 1134692840 /nfs/dbraw/zinc/69/28/40/1134692840.db2.gz MPBXRBQNWMNEPA-MRVPVSSYSA-N -1 1 349.761 3.797 20 0 EHADMM O=S(=O)(Nc1cc([O-])c(Cl)cc1F)c1ccc(C2CC2)cc1 ZINC001190499605 1134706564 /nfs/dbraw/zinc/70/65/64/1134706564.db2.gz FLPJVQKKOHJLJJ-UHFFFAOYSA-N -1 1 341.791 3.863 20 0 EHADMM O=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc2s1 ZINC001190500078 1134706660 /nfs/dbraw/zinc/70/66/60/1134706660.db2.gz LQHAQJCYWHCIQD-UHFFFAOYSA-N -1 1 346.433 3.680 20 0 EHADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C)nc2Cl)c1 ZINC001191154224 1134803337 /nfs/dbraw/zinc/80/33/37/1134803337.db2.gz SFULBMWOVDDFLL-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM Cc1ccc(-c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2)o1 ZINC001191196629 1134813815 /nfs/dbraw/zinc/81/38/15/1134813815.db2.gz GVDPTGPDXQRVST-UHFFFAOYSA-N -1 1 336.273 3.644 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3cn(C)nc3c2)cc1 ZINC001191248498 1134836587 /nfs/dbraw/zinc/83/65/87/1134836587.db2.gz DNOSMRLXQHKCNY-UHFFFAOYSA-N -1 1 343.452 3.717 20 0 EHADMM O=C(NC1(CC2CC2)CC1)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191518583 1134878574 /nfs/dbraw/zinc/87/85/74/1134878574.db2.gz TZAKTMSBUVFUKR-UHFFFAOYSA-N -1 1 335.403 3.686 20 0 EHADMM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC001191652473 1134899477 /nfs/dbraw/zinc/89/94/77/1134899477.db2.gz PXDYTDOQNHEGNJ-UHFFFAOYSA-N -1 1 341.379 3.898 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC001191821446 1134929974 /nfs/dbraw/zinc/92/99/74/1134929974.db2.gz QAUQUAIMDCGSIJ-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM CC[C@H](C)CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001192295309 1134995695 /nfs/dbraw/zinc/99/56/95/1134995695.db2.gz WDQLDMVWZFQSFQ-QMMMGPOBSA-N -1 1 328.236 3.847 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cnc(C(F)(F)F)nc2)c([O-])c1 ZINC001192314422 1134998489 /nfs/dbraw/zinc/99/84/89/1134998489.db2.gz PGUXIWLUAATSRD-UHFFFAOYSA-N -1 1 339.317 3.751 20 0 EHADMM CSc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)s1 ZINC001192635306 1135041586 /nfs/dbraw/zinc/04/15/86/1135041586.db2.gz GZCAGLWXYIQJJH-UHFFFAOYSA-N -1 1 331.422 3.614 20 0 EHADMM O=C(Nc1ccc(C2CCOCC2)cc1)c1cc([O-])cc(F)c1F ZINC001192665896 1135047315 /nfs/dbraw/zinc/04/73/15/1135047315.db2.gz XASZJEOCRMSVPA-UHFFFAOYSA-N -1 1 333.334 3.817 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cnccc2Cl)c(F)cc1Cl ZINC001192897226 1135069641 /nfs/dbraw/zinc/06/96/41/1135069641.db2.gz KDBFWCBRKPYBTQ-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCCN(c2ccccc2F)CC1 ZINC000804720285 1135178914 /nfs/dbraw/zinc/17/89/14/1135178914.db2.gz QABVUXCSTDMHNE-UHFFFAOYSA-N -1 1 348.805 3.537 20 0 EHADMM C[C@H](O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1F ZINC000804802450 1135195719 /nfs/dbraw/zinc/19/57/19/1135195719.db2.gz GKPNOASISZNGQZ-QMMMGPOBSA-N -1 1 343.276 3.856 20 0 EHADMM Cc1cc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)cc(C)c1Cl ZINC000747247249 1135280986 /nfs/dbraw/zinc/28/09/86/1135280986.db2.gz JYRZYKSLHVPDBQ-UHFFFAOYSA-N -1 1 328.821 3.571 20 0 EHADMM Cc1cc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)cc(C)c1Cl ZINC000747247249 1135280989 /nfs/dbraw/zinc/28/09/89/1135280989.db2.gz JYRZYKSLHVPDBQ-UHFFFAOYSA-N -1 1 328.821 3.571 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2ncnc(Cl)c2c1 ZINC001194643184 1135296335 /nfs/dbraw/zinc/29/63/35/1135296335.db2.gz QZNRELIGBHRKQD-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM COC(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194643217 1135296743 /nfs/dbraw/zinc/29/67/43/1135296743.db2.gz RGIPMFPCFWUTAG-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)c2cnccc12 ZINC001194644962 1135296807 /nfs/dbraw/zinc/29/68/07/1135296807.db2.gz VIWJYCKAMDXHNC-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1ccc(NC(=O)c2c[n-]c(C(F)(F)F)n2)cc1OC(F)F ZINC001194783783 1135315200 /nfs/dbraw/zinc/31/52/00/1135315200.db2.gz TXHZARJMVAPDBQ-UHFFFAOYSA-N -1 1 335.232 3.591 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)cc(Br)c1 ZINC001195483602 1135431043 /nfs/dbraw/zinc/43/10/43/1135431043.db2.gz XPOYXKXBTQVINN-UHFFFAOYSA-N -1 1 337.626 3.545 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC001195484800 1135431833 /nfs/dbraw/zinc/43/18/33/1135431833.db2.gz SOEWOJCCGOFNKR-UHFFFAOYSA-N -1 1 336.413 3.561 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cccc(-c2ccc(OC)cc2)c1 ZINC001195484430 1135431952 /nfs/dbraw/zinc/43/19/52/1135431952.db2.gz MSNYQFKWJDGVKX-UHFFFAOYSA-N -1 1 330.409 3.805 20 0 EHADMM O=C([N-]c1ncnc2sccc21)c1snc(Cl)c1Cl ZINC001196333620 1135547320 /nfs/dbraw/zinc/54/73/20/1135547320.db2.gz GBXBIDCOVQLGFS-UHFFFAOYSA-N -1 1 331.209 3.707 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(C)cc2F)c1Cl ZINC001196383278 1135552736 /nfs/dbraw/zinc/55/27/36/1135552736.db2.gz OYPFTQMJDXINRX-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM O=C(Nc1cc(Cl)c(O)cc1F)c1cc(F)cc(Cl)c1[O-] ZINC000807775010 1135570715 /nfs/dbraw/zinc/57/07/15/1135570715.db2.gz GTIUYYYAEZTIMX-UHFFFAOYSA-N -1 1 334.105 3.935 20 0 EHADMM Cc1cc2c(ncnc2[N-]C(=O)c2c(C)noc2C(F)(F)F)s1 ZINC001197585837 1135710628 /nfs/dbraw/zinc/71/06/28/1135710628.db2.gz NMGKUOWGUSKPFI-UHFFFAOYSA-N -1 1 342.302 3.567 20 0 EHADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccnc(Cl)c1Cl ZINC001197585502 1135711045 /nfs/dbraw/zinc/71/10/45/1135711045.db2.gz IEMJFANJSCIQNH-UHFFFAOYSA-N -1 1 340.088 3.956 20 0 EHADMM COc1cccc2c(C(=O)OCc3ccc(C(F)F)cc3)[nH]nc21 ZINC000808676741 1135715149 /nfs/dbraw/zinc/71/51/49/1135715149.db2.gz QBZDCUJLBOTCDA-UHFFFAOYSA-N -1 1 332.306 3.866 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1O ZINC001197744374 1135733415 /nfs/dbraw/zinc/73/34/15/1135733415.db2.gz FTZUOJRHOWBHQW-UHFFFAOYSA-N -1 1 346.235 3.949 20 0 EHADMM CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198859250 1135862301 /nfs/dbraw/zinc/86/23/01/1135862301.db2.gz SLYRCJGGDXFYTP-UHFFFAOYSA-N -1 1 329.377 3.745 20 0 EHADMM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])n(CC(C)C)n1 ZINC001199091710 1135880315 /nfs/dbraw/zinc/88/03/15/1135880315.db2.gz CQFCDZLDCKXETG-UHFFFAOYSA-N -1 1 341.333 3.824 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cncc(OC(F)F)c1 ZINC001199298187 1135893362 /nfs/dbraw/zinc/89/33/62/1135893362.db2.gz KXCFEIJZSPZWQN-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])c1cccc(F)c1Cl ZINC000121522123 1135900056 /nfs/dbraw/zinc/90/00/56/1135900056.db2.gz XVTROOBYTGIZHG-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1snnc1C1CC1 ZINC000810030518 1135916899 /nfs/dbraw/zinc/91/68/99/1135916899.db2.gz ANDZPBZIEPGZRM-UHFFFAOYSA-N -1 1 335.458 3.567 20 0 EHADMM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2c([O-])cccc2Cl)c1 ZINC000776016668 1135921388 /nfs/dbraw/zinc/92/13/88/1135921388.db2.gz QYGIAYXZWQTGLH-ZFWWWQNUSA-N -1 1 331.799 3.730 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=S)Nc2cc(C)cc(C)c2)c1 ZINC001201206950 1135996566 /nfs/dbraw/zinc/99/65/66/1135996566.db2.gz CRVZNXCPWKTLBV-UHFFFAOYSA-N -1 1 330.409 3.605 20 0 EHADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@H]1C[C@@H](C)c2ccccc21 ZINC001201765104 1136061392 /nfs/dbraw/zinc/06/13/92/1136061392.db2.gz VKZFYGQMGNVYGI-PELKAZGASA-N -1 1 342.873 3.632 20 0 EHADMM CCc1cc2c(COC(=O)c3ccc(F)cc3)cc(=O)oc2cc1[O-] ZINC000005754414 1136074885 /nfs/dbraw/zinc/07/48/85/1136074885.db2.gz GPCGHVJYWICQLS-UHFFFAOYSA-N -1 1 342.322 3.557 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1 ZINC000811836040 1136143183 /nfs/dbraw/zinc/14/31/83/1136143183.db2.gz AWIBHKANKDKMSK-UHFFFAOYSA-N -1 1 328.846 3.566 20 0 EHADMM O=C(NC(=O)c1ccccc1)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001202455654 1136145892 /nfs/dbraw/zinc/14/58/92/1136145892.db2.gz XSMPAVGHXQOXGZ-UHFFFAOYSA-N -1 1 325.151 3.661 20 0 EHADMM CC(C)(C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000006467501 1136176079 /nfs/dbraw/zinc/17/60/79/1136176079.db2.gz YROOLVRQRVKBKQ-UHFFFAOYSA-N -1 1 338.359 3.520 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CCCC2(CC2)C1 ZINC000850207863 1136220496 /nfs/dbraw/zinc/22/04/96/1136220496.db2.gz TXQFIYXAJLMFMZ-GFCCVEGCSA-N -1 1 328.364 3.512 20 0 EHADMM CCOC(=O)c1nc(NC(=O)CCCC2CCCCC2)[n-]c1Cl ZINC001134101822 1136406664 /nfs/dbraw/zinc/40/66/64/1136406664.db2.gz VTTJUHRKCMNPRM-UHFFFAOYSA-N -1 1 341.839 3.929 20 0 EHADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-][C@H](c1ccccc1)C(F)F ZINC000814285413 1136434174 /nfs/dbraw/zinc/43/41/74/1136434174.db2.gz HWYPXRFHCRKSSN-AUECHBEKSA-N -1 1 341.354 3.722 20 0 EHADMM O=C1OCCN1Cc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000815118102 1136552119 /nfs/dbraw/zinc/55/21/19/1136552119.db2.gz XRJARAPUQHRRAY-UHFFFAOYSA-N -1 1 332.787 3.610 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCC2(CCCC2)CC1 ZINC000855364627 1136690816 /nfs/dbraw/zinc/69/08/16/1136690816.db2.gz ZWUVALFACYAJOA-UHFFFAOYSA-N -1 1 331.460 3.801 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCSC[C@@H]1C1CC1 ZINC000888491273 1136709060 /nfs/dbraw/zinc/70/90/60/1136709060.db2.gz QWDLBQNCAXVIIY-CYBMUJFWSA-N -1 1 345.386 3.769 20 0 EHADMM O=C(c1cncc([O-])c1)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC001170849069 1136766042 /nfs/dbraw/zinc/76/60/42/1136766042.db2.gz ODOAVRDAYQPQQR-GOSISDBHSA-N -1 1 330.387 3.601 20 0 EHADMM O=C(Nc1ccccc1N1CCc2ccccc21)c1ccc([O-])cn1 ZINC001136080229 1136854939 /nfs/dbraw/zinc/85/49/39/1136854939.db2.gz CUIFMRWCVHOBIF-UHFFFAOYSA-N -1 1 331.375 3.734 20 0 EHADMM CSc1ncc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)c(=O)[n-]1 ZINC001136113301 1136860063 /nfs/dbraw/zinc/86/00/63/1136860063.db2.gz JGVMFWMCKFWEQX-UHFFFAOYSA-N -1 1 337.489 3.581 20 0 EHADMM Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)nc1 ZINC000858063892 1136936970 /nfs/dbraw/zinc/93/69/70/1136936970.db2.gz UCQWTOZTUWDQSP-MRXNPFEDSA-N -1 1 348.402 3.542 20 0 EHADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cc2ccccc2cc1[O-] ZINC001136266109 1136959435 /nfs/dbraw/zinc/95/94/35/1136959435.db2.gz MQIXKDQEEWOGTI-LIRRHRJNSA-N -1 1 327.424 3.871 20 0 EHADMM C[C@@H]1CN=C([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)S1 ZINC000819782698 1136962670 /nfs/dbraw/zinc/96/26/70/1136962670.db2.gz AXPJGNPIFSEZFG-ZCFIWIBFSA-N -1 1 339.194 3.693 20 0 EHADMM Cc1noc(C)c1[C@@H](C)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000819993163 1136971554 /nfs/dbraw/zinc/97/15/54/1136971554.db2.gz UQDOGMWFYWEAMQ-SSDOTTSWSA-N -1 1 330.281 3.539 20 0 EHADMM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc([O-])c1F ZINC001136303526 1136977112 /nfs/dbraw/zinc/97/71/12/1136977112.db2.gz YTYKZASRTCCEAA-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM CCOC(=O)c1cc(NC(=O)c2ccc([O-])cc2F)ccc1Cl ZINC001136343648 1136995091 /nfs/dbraw/zinc/99/50/91/1136995091.db2.gz FIZQZLKVCXSHME-UHFFFAOYSA-N -1 1 337.734 3.614 20 0 EHADMM O=C(NCCSCc1cccc2ccccc21)c1ncccc1[O-] ZINC001136399084 1137012707 /nfs/dbraw/zinc/01/27/07/1137012707.db2.gz IFTGBCKJFDHSSG-UHFFFAOYSA-N -1 1 338.432 3.604 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2oc(C(F)F)cc2C)c1 ZINC000859788415 1137030512 /nfs/dbraw/zinc/03/05/12/1137030512.db2.gz JSEACZNYPPGKSJ-UHFFFAOYSA-N -1 1 338.306 3.833 20 0 EHADMM COCC[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccco1 ZINC000821797330 1137038689 /nfs/dbraw/zinc/03/86/89/1137038689.db2.gz ORDCNHXYJMMFMC-ZDUSSCGKSA-N -1 1 345.292 3.544 20 0 EHADMM CN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C1CC(C)(C)C1 ZINC000822458222 1137060607 /nfs/dbraw/zinc/06/06/07/1137060607.db2.gz WMPQSFLOSWLPLE-UHFFFAOYSA-N -1 1 327.380 3.725 20 0 EHADMM CN1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)c2ccccc21 ZINC001136629546 1137073926 /nfs/dbraw/zinc/07/39/26/1137073926.db2.gz PIDRXDNVHVDANL-UHFFFAOYSA-N -1 1 336.313 3.508 20 0 EHADMM C[C@H]1c2ccc(Cl)n2CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000794443949 1137154522 /nfs/dbraw/zinc/15/45/22/1137154522.db2.gz KUVKERASQRJBQY-NSHDSACASA-N -1 1 344.798 3.530 20 0 EHADMM COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)cc(Cl)c1[O-] ZINC000825215555 1137169055 /nfs/dbraw/zinc/16/90/55/1137169055.db2.gz QHLXKANPTYLLKU-UHFFFAOYSA-N -1 1 346.814 3.907 20 0 EHADMM O=C([N-]c1nc(F)c(F)c(Cl)c1F)c1nc2ccccc2o1 ZINC001153573074 1137245060 /nfs/dbraw/zinc/24/50/60/1137245060.db2.gz LBIMSIVSCGDHMP-UHFFFAOYSA-N -1 1 327.649 3.546 20 0 EHADMM COc1ccc(C2=CCN(Cc3c(F)cc([O-])cc3F)CC2)cc1 ZINC001144561955 1137310306 /nfs/dbraw/zinc/31/03/06/1137310306.db2.gz RAINUGILWSISNW-UHFFFAOYSA-N -1 1 331.362 3.968 20 0 EHADMM COc1cc(Cl)ccc1CSCCC[N-]C(=O)C(F)(F)F ZINC000794895352 1137329565 /nfs/dbraw/zinc/32/95/65/1137329565.db2.gz BFBVQGUQQQMRHQ-UHFFFAOYSA-N -1 1 341.782 3.650 20 0 EHADMM Cc1ccc(CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C2CC2)o1 ZINC000846239004 1137342889 /nfs/dbraw/zinc/34/28/89/1137342889.db2.gz OPBTUKJSUCARJE-WZUFQYTHSA-N -1 1 341.407 3.729 20 0 EHADMM O=C(NCCc1ccc(F)cc1Cl)c1ncc2ccccc2c1[O-] ZINC001144769210 1137345847 /nfs/dbraw/zinc/34/58/47/1137345847.db2.gz LLSDFOPMIQDYCW-UHFFFAOYSA-N -1 1 344.773 3.705 20 0 EHADMM Cc1nc(-c2ccccc2F)sc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000846635566 1137359929 /nfs/dbraw/zinc/35/99/29/1137359929.db2.gz WULIVVFMUTVDJM-UHFFFAOYSA-N -1 1 344.371 3.770 20 0 EHADMM O=C(NC[C@@H]1CCOc2ccccc21)c1ccc2ccc(O)cc2c1[O-] ZINC001145072531 1137385014 /nfs/dbraw/zinc/38/50/14/1137385014.db2.gz WHOJUAJYFCBMGH-AWEZNQCLSA-N -1 1 349.386 3.547 20 0 EHADMM O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)Nc1c([O-])cccc1F ZINC001146492215 1137390673 /nfs/dbraw/zinc/39/06/73/1137390673.db2.gz JZKLOFIPDQZPAP-UHFFFAOYSA-N -1 1 348.683 3.780 20 0 EHADMM O=C([N-]c1nc2c(s1)c(Cl)ccc2F)c1nnc(C2CC2)o1 ZINC001171284387 1137394052 /nfs/dbraw/zinc/39/40/52/1137394052.db2.gz JABQQYLBLPNMIB-UHFFFAOYSA-N -1 1 338.751 3.602 20 0 EHADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001147218681 1137402855 /nfs/dbraw/zinc/40/28/55/1137402855.db2.gz PSEBQOKWAWMXCQ-MGPLVRAMSA-N -1 1 337.778 3.691 20 0 EHADMM Cc1cnc(C(=O)NCC2(c3cccs3)CCCCC2)c([O-])c1 ZINC001147469988 1137407185 /nfs/dbraw/zinc/40/71/85/1137407185.db2.gz JQXJEKVVWMWOCT-UHFFFAOYSA-N -1 1 330.453 3.789 20 0 EHADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(Br)cc1[O-] ZINC001148387602 1137423187 /nfs/dbraw/zinc/42/31/87/1137423187.db2.gz FEGZAANJJJIRPJ-KGLIPLIRSA-N -1 1 338.245 3.853 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])c1ccccc1C1CC1 ZINC001148470236 1137425477 /nfs/dbraw/zinc/42/54/77/1137425477.db2.gz LSOWHRVOKJGTKO-UHFFFAOYSA-N -1 1 333.185 3.679 20 0 EHADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1nc(C2CC2)cs1 ZINC001148549545 1137427533 /nfs/dbraw/zinc/42/75/33/1137427533.db2.gz ORYXNROUUYHUBI-WAYWQWQTSA-N -1 1 344.421 3.888 20 0 EHADMM O=C(Nc1cnc(C2CC2)s1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794286 1137435039 /nfs/dbraw/zinc/43/50/39/1137435039.db2.gz HAGYYIPUOLXDJK-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM O=C(Nc1cc(-c2ccccn2)no1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148793968 1137435200 /nfs/dbraw/zinc/43/52/00/1137435200.db2.gz FLZCRMCKHKWNDE-UHFFFAOYSA-N -1 1 349.268 3.713 20 0 EHADMM COc1ccc(-c2nc(C)sc2CC(=O)[N-]OCC2CCC2)cc1 ZINC000869306257 1137446226 /nfs/dbraw/zinc/44/62/26/1137446226.db2.gz YOJUSMRYWSVMEX-UHFFFAOYSA-N -1 1 346.452 3.518 20 0 EHADMM CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)Nc2cccc(F)c2[O-])o1 ZINC001171636712 1137504428 /nfs/dbraw/zinc/50/44/28/1137504428.db2.gz JGWGPTATGRPTEX-NTMALXAHSA-N -1 1 347.342 3.732 20 0 EHADMM O=c1c2c([n-]n1[C@@H]1CCOC3(CCCC3)C1)-c1ccccc1CCC2 ZINC000871964545 1137563845 /nfs/dbraw/zinc/56/38/45/1137563845.db2.gz SLZUSUJFOANZDA-SJLPKXTDSA-N -1 1 338.451 3.677 20 0 EHADMM Cc1nc(C2CCN(Cc3ccc(C)c(F)c3)CC2)sc1C(=O)[O-] ZINC000872163639 1137574730 /nfs/dbraw/zinc/57/47/30/1137574730.db2.gz DOKKZRAERSKUCA-UHFFFAOYSA-N -1 1 348.443 3.977 20 0 EHADMM COc1ccccc1[C@@H]1CSCCCN1Cc1ccoc1C(=O)[O-] ZINC000872168601 1137574934 /nfs/dbraw/zinc/57/49/34/1137574934.db2.gz WGEODXQNUGPZSD-HNNXBMFYSA-N -1 1 347.436 3.667 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)NCC1CCC(F)(F)CC1 ZINC000873005277 1137587849 /nfs/dbraw/zinc/58/78/49/1137587849.db2.gz OBIHWQKRGNQWKE-UHFFFAOYSA-N -1 1 332.778 3.670 20 0 EHADMM Cc1cc(Br)oc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874697495 1137621498 /nfs/dbraw/zinc/62/14/98/1137621498.db2.gz QZOVRLIBYOWGTP-UHFFFAOYSA-N -1 1 330.207 3.578 20 0 EHADMM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(F)cc3F)c2)S1 ZINC000874929931 1137626506 /nfs/dbraw/zinc/62/65/06/1137626506.db2.gz SZSUOPLFPBDTAW-CHHVJCJISA-N -1 1 347.342 3.868 20 0 EHADMM CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876392669 1137650581 /nfs/dbraw/zinc/65/05/81/1137650581.db2.gz BIOMIINUEJQPAH-UHFFFAOYSA-N -1 1 348.830 3.786 20 0 EHADMM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876395896 1137650664 /nfs/dbraw/zinc/65/06/64/1137650664.db2.gz RLOHJFXZQXVACZ-WBMJQRKESA-N -1 1 345.830 3.733 20 0 EHADMM CC(C)c1nsc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)n1 ZINC000876482447 1137653709 /nfs/dbraw/zinc/65/37/09/1137653709.db2.gz JYRGRHSIOHYGFW-UHFFFAOYSA-N -1 1 335.191 3.755 20 0 EHADMM [O-]C(=NO[C@H]1CCCCO1)Nc1nc(C2CCCCC2)cs1 ZINC000880246870 1137772026 /nfs/dbraw/zinc/77/20/26/1137772026.db2.gz SRDPDLBCKXSABM-ZDUSSCGKSA-N -1 1 325.434 3.771 20 0 EHADMM O=C([N-]O[C@H]1CCCCO1)Nc1nc(C2CCCCC2)cs1 ZINC000880246870 1137772027 /nfs/dbraw/zinc/77/20/27/1137772027.db2.gz SRDPDLBCKXSABM-ZDUSSCGKSA-N -1 1 325.434 3.771 20 0 EHADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1C(=O)N1CCCCC1 ZINC000331842372 1137922558 /nfs/dbraw/zinc/92/25/58/1137922558.db2.gz UQKMMMYBDLSVBJ-UHFFFAOYSA-N -1 1 338.407 3.579 20 0 EHADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)[C@@H]1CCCC(F)(F)C1 ZINC000332667753 1137950773 /nfs/dbraw/zinc/95/07/73/1137950773.db2.gz OPUAKEQQFZIQHF-SECBINFHSA-N -1 1 341.308 3.541 20 0 EHADMM CC[C@@H](C)n1nc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1C ZINC000885676498 1138017939 /nfs/dbraw/zinc/01/79/39/1138017939.db2.gz PESTWGXJGTUREE-MRVPVSSYSA-N -1 1 325.771 3.913 20 0 EHADMM CC(C)[C@H](C(=O)NCCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000080173409 1138161084 /nfs/dbraw/zinc/16/10/84/1138161084.db2.gz ZEUODBYAKOVZSG-INIZCTEOSA-N -1 1 346.500 3.620 20 0 EHADMM CC(C)Oc1ccc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000085562985 1138184646 /nfs/dbraw/zinc/18/46/46/1138184646.db2.gz IKTQWOBBOYEOQR-UHFFFAOYSA-N -1 1 349.460 3.630 20 0 EHADMM CCN(C(=O)c1ccc(Br)cc1[O-])[C@@H](C)c1cccnc1 ZINC000094151578 1138244018 /nfs/dbraw/zinc/24/40/18/1138244018.db2.gz NBBYXBCHGNEKCY-NSHDSACASA-N -1 1 349.228 3.773 20 0 EHADMM COc1cnc([C@H]2CCCN2C(=O)C[C@@H](C)CCC=C(C)C)[n-]c1=O ZINC000889787939 1139268591 /nfs/dbraw/zinc/26/85/91/1139268591.db2.gz SQSFZOJFAXWBHD-LSDHHAIUSA-N -1 1 347.459 3.627 20 0 EHADMM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cncc([O-])c1 ZINC000177459365 1139621208 /nfs/dbraw/zinc/62/12/08/1139621208.db2.gz IFCCUOVPANRDPZ-AWEZNQCLSA-N -1 1 325.412 3.727 20 0 EHADMM C[C@@H](OCCCNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000145159858 1139839586 /nfs/dbraw/zinc/83/95/86/1139839586.db2.gz QYFHJZGTTGTNIB-CYBMUJFWSA-N -1 1 333.815 3.943 20 0 EHADMM CCOc1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc(Cl)c1[O-] ZINC000186772483 1140220853 /nfs/dbraw/zinc/22/08/53/1140220853.db2.gz ZYSMCPVPWRDWSS-JTQLQIEISA-N -1 1 349.818 3.864 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000191887795 1140491786 /nfs/dbraw/zinc/49/17/86/1140491786.db2.gz JQGJAYDYHOLMOD-UHFFFAOYSA-N -1 1 339.844 3.638 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C(C)(C)C)s2)[n-]c1=O ZINC000193265120 1140568862 /nfs/dbraw/zinc/56/88/62/1140568862.db2.gz KNIOUQOCGDOKFC-PKNBQFBNSA-N -1 1 346.452 3.866 20 0 EHADMM CCOc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1C ZINC000266990372 1140747367 /nfs/dbraw/zinc/74/73/67/1140747367.db2.gz IWVNPDYNNKYGIB-UHFFFAOYSA-N -1 1 343.427 3.748 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3sc(C)nc3c2)cc1 ZINC000107401885 1141615564 /nfs/dbraw/zinc/61/55/64/1141615564.db2.gz YOXFJYAPCLQXEY-UHFFFAOYSA-N -1 1 332.450 3.968 20 0 EHADMM CCOc1cc(C(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)cc(Cl)c1[O-] ZINC000616443938 479909355 /nfs/dbraw/zinc/90/93/55/479909355.db2.gz TVWBGCUNLGGSTK-WPRPVWTQSA-N -1 1 335.791 3.543 20 0 EHADMM Cc1nc(-c2cccc(NCc3ccc(-c4nnn[n-]4)o3)c2)cs1 ZINC000822418868 607309499 /nfs/dbraw/zinc/30/94/99/607309499.db2.gz HHYBGNGBOBYEMK-UHFFFAOYSA-N -1 1 338.396 3.504 20 0 EHADMM Cc1nc(-c2cccc(NCc3ccc(-c4nn[n-]n4)o3)c2)cs1 ZINC000822418868 607309500 /nfs/dbraw/zinc/30/95/00/607309500.db2.gz HHYBGNGBOBYEMK-UHFFFAOYSA-N -1 1 338.396 3.504 20 0 EHADMM CCCCOc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821077533 607311414 /nfs/dbraw/zinc/31/14/14/607311414.db2.gz KERGPASSGNUPKV-UHFFFAOYSA-N -1 1 329.429 3.719 20 0 EHADMM Clc1nsc(NCCCCCc2ccccc2)c1-c1nnn[n-]1 ZINC000737582512 598521512 /nfs/dbraw/zinc/52/15/12/598521512.db2.gz BLZJVVIQYMYLMJ-UHFFFAOYSA-N -1 1 348.863 3.802 20 0 EHADMM Clc1nsc(NCCCCCc2ccccc2)c1-c1nn[n-]n1 ZINC000737582512 598521514 /nfs/dbraw/zinc/52/15/14/598521514.db2.gz BLZJVVIQYMYLMJ-UHFFFAOYSA-N -1 1 348.863 3.802 20 0 EHADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1OC(F)F)c1ccccc1 ZINC000390879623 599782522 /nfs/dbraw/zinc/78/25/22/599782522.db2.gz SYBWYIRBEJEVCO-CQSZACIVSA-N -1 1 341.741 3.857 20 0 EHADMM CCn1cc(CN(C)Cc2c(C(=O)[O-])sc3cccc(F)c32)cn1 ZINC000566360196 600286625 /nfs/dbraw/zinc/28/66/25/600286625.db2.gz SCBDWAPLXZKADQ-UHFFFAOYSA-N -1 1 347.415 3.587 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1csc(-c3ccccc3F)n1)CC2 ZINC000739536958 600307059 /nfs/dbraw/zinc/30/70/59/600307059.db2.gz PVGUDLJTEVDAKW-CQSZACIVSA-N -1 1 346.427 3.636 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000574458789 600440847 /nfs/dbraw/zinc/44/08/47/600440847.db2.gz WRPFYQVHKPKRNI-JSGCOSHPSA-N -1 1 345.370 3.773 20 0 EHADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000321794773 600775144 /nfs/dbraw/zinc/77/51/44/600775144.db2.gz VIPKOHWIFBZAGF-UHFFFAOYSA-N -1 1 333.771 3.660 20 0 EHADMM CCCC[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000829296121 600833529 /nfs/dbraw/zinc/83/35/29/600833529.db2.gz NUTJZDDTQFWHOJ-LLVKDONJSA-N -1 1 325.821 3.861 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000164515323 600842475 /nfs/dbraw/zinc/84/24/75/600842475.db2.gz BPTRSBQFZZJQRU-HNNXBMFYSA-N -1 1 346.471 3.669 20 0 EHADMM CC[C@@]1(C)CCCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829043918 600848644 /nfs/dbraw/zinc/84/86/44/600848644.db2.gz IKHSIYWRWQIEPC-KUHUBIRLSA-N -1 1 332.444 3.532 20 0 EHADMM Cc1ccc(-c2cnc(CN3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])o2)cc1 ZINC000262434705 600987478 /nfs/dbraw/zinc/98/74/78/600987478.db2.gz CBDUCPFPOROGOA-ZACQAIPSSA-N -1 1 340.423 3.868 20 0 EHADMM C/C(=C/CN1CCC[C@H]1c1nc2ccccc2n1C(C)C)C(=O)[O-] ZINC000825742092 601178935 /nfs/dbraw/zinc/17/89/35/601178935.db2.gz VYFJOEOPKKWLLP-QXSWTLKVSA-N -1 1 327.428 3.785 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(CC)Cc1ccc(OC)c(OC)c1 ZINC000830363543 601412287 /nfs/dbraw/zinc/41/22/87/601412287.db2.gz UPQPGFZZMPTPAN-UHFFFAOYSA-N -1 1 347.411 3.580 20 0 EHADMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1nc2ccccc2o1 ZINC000659794826 601431483 /nfs/dbraw/zinc/43/14/83/601431483.db2.gz YCHWEZZAKMLTSZ-GOEBONIOSA-N -1 1 328.412 3.683 20 0 EHADMM O=C([O-])c1ccc(CN2CCS[C@H](c3ccccc3)C2)cc1F ZINC000833314010 601641047 /nfs/dbraw/zinc/64/10/47/601641047.db2.gz DZYSBDWUEHKJRE-KRWDZBQOSA-N -1 1 331.412 3.814 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccsc1C(=O)[O-] ZINC000828508567 601825670 /nfs/dbraw/zinc/82/56/70/601825670.db2.gz FXCVNARSHTYMOS-DVOMOZLQSA-N -1 1 331.437 3.797 20 0 EHADMM O=C([O-])c1sccc1CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000581890082 601828506 /nfs/dbraw/zinc/82/85/06/601828506.db2.gz ZXBILXMQTJRWSF-ZDUSSCGKSA-N -1 1 347.411 3.680 20 0 EHADMM C[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824757622 607533650 /nfs/dbraw/zinc/53/36/50/607533650.db2.gz YNBZGEJVYNJROQ-VIFPVBQESA-N -1 1 333.367 3.534 20 0 EHADMM C[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824757622 607533651 /nfs/dbraw/zinc/53/36/51/607533651.db2.gz YNBZGEJVYNJROQ-VIFPVBQESA-N -1 1 333.367 3.534 20 0 EHADMM Cc1cc(-c2ccccc2)ccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826242760 607548045 /nfs/dbraw/zinc/54/80/45/607548045.db2.gz FJVDYYXFTNVRDC-UHFFFAOYSA-N -1 1 342.406 3.849 20 0 EHADMM Cc1cc(-c2ccccc2)ccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826242760 607548046 /nfs/dbraw/zinc/54/80/46/607548046.db2.gz FJVDYYXFTNVRDC-UHFFFAOYSA-N -1 1 342.406 3.849 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@@H]2CC(=O)c2cccs2)s1 ZINC000833313465 602238881 /nfs/dbraw/zinc/23/88/81/602238881.db2.gz WGMJUIONLSVTDO-LLVKDONJSA-N -1 1 335.450 3.745 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737084595 602576059 /nfs/dbraw/zinc/57/60/59/602576059.db2.gz BFZWZJYDALBTSE-QGZVFWFLSA-N -1 1 341.411 3.798 20 0 EHADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(OC(F)F)c1 ZINC000825503821 603538440 /nfs/dbraw/zinc/53/84/40/603538440.db2.gz XQJSJBZGBXDVAM-JTQLQIEISA-N -1 1 337.326 3.624 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830937176 604238721 /nfs/dbraw/zinc/23/87/21/604238721.db2.gz UHZDISHEGVWTDR-AAEUAGOBSA-N -1 1 349.456 3.580 20 0 EHADMM CC(C)(NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1Br ZINC000833460805 604638856 /nfs/dbraw/zinc/63/88/56/604638856.db2.gz JYVUMILXVQHSED-UHFFFAOYSA-N -1 1 337.217 3.500 20 0 EHADMM Cc1[nH]c(SC[C@@H]2CC(C(=O)[O-])=C(C)O2)nc1Cc1ccccc1 ZINC000833580787 604885575 /nfs/dbraw/zinc/88/55/75/604885575.db2.gz JAOIQHPJERCXIP-AWEZNQCLSA-N -1 1 344.436 3.549 20 0 EHADMM Cc1[nH]c(SC[C@H]2CC(C(=O)[O-])=C(C)O2)nc1Cc1ccccc1 ZINC000833580788 604885814 /nfs/dbraw/zinc/88/58/14/604885814.db2.gz JAOIQHPJERCXIP-CQSZACIVSA-N -1 1 344.436 3.549 20 0 EHADMM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1Cl ZINC000827716946 604985536 /nfs/dbraw/zinc/98/55/36/604985536.db2.gz CIUNMWVWOAKASX-LKFCYVNXSA-N -1 1 325.195 3.865 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000833812570 605597582 /nfs/dbraw/zinc/59/75/82/605597582.db2.gz KEMHSLIKTVLFOR-TZMCWYRMSA-N -1 1 337.489 3.669 20 0 EHADMM O=C([O-])N[C@H]1C[C@@H](NCc2ccc3ccccc3n2)c2ccccc21 ZINC000834156761 605794873 /nfs/dbraw/zinc/79/48/73/605794873.db2.gz CKPRKBYBTRLQHY-MOPGFXCFSA-N -1 1 333.391 3.778 20 0 EHADMM COc1ccc(C2(NCc3cc(C(=O)[O-])ccc3Cl)CC2)cc1 ZINC000833731269 605845350 /nfs/dbraw/zinc/84/53/50/605845350.db2.gz UGDQHSUVMULBDM-UHFFFAOYSA-N -1 1 331.799 3.826 20 0 EHADMM C[C@@H](Sc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000820549723 606461847 /nfs/dbraw/zinc/46/18/47/606461847.db2.gz QXDBMDZAXALSGT-MRVPVSSYSA-N -1 1 335.795 3.908 20 0 EHADMM C[C@@H](Sc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000820549723 606461848 /nfs/dbraw/zinc/46/18/48/606461848.db2.gz QXDBMDZAXALSGT-MRVPVSSYSA-N -1 1 335.795 3.908 20 0 EHADMM c1ccc(COc2ccc(Oc3cccc(-c4nnn[n-]4)n3)cc2)cc1 ZINC000826522330 607895147 /nfs/dbraw/zinc/89/51/47/607895147.db2.gz WGWAFQUXTDKLNI-UHFFFAOYSA-N -1 1 345.362 3.633 20 0 EHADMM c1ccc(COc2ccc(Oc3cccc(-c4nn[n-]n4)n3)cc2)cc1 ZINC000826522330 607895148 /nfs/dbraw/zinc/89/51/48/607895148.db2.gz WGWAFQUXTDKLNI-UHFFFAOYSA-N -1 1 345.362 3.633 20 0 EHADMM c1csc(C(Nc2cccc(-c3nnn[n-]3)n2)c2cccs2)c1 ZINC000826517270 607900241 /nfs/dbraw/zinc/90/02/41/607900241.db2.gz WSZHPGVQBKTPLX-UHFFFAOYSA-N -1 1 340.437 3.586 20 0 EHADMM c1csc(C(Nc2cccc(-c3nn[n-]n3)n2)c2cccs2)c1 ZINC000826517270 607900242 /nfs/dbraw/zinc/90/02/42/607900242.db2.gz WSZHPGVQBKTPLX-UHFFFAOYSA-N -1 1 340.437 3.586 20 0 EHADMM Cc1ccc([C@@H]2[C@H](C)CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826285008 607901654 /nfs/dbraw/zinc/90/16/54/607901654.db2.gz NKHJWIKGQLTCIB-KDOFPFPSSA-N -1 1 334.427 3.548 20 0 EHADMM Cc1ccc([C@@H]2[C@H](C)CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826285008 607901655 /nfs/dbraw/zinc/90/16/55/607901655.db2.gz NKHJWIKGQLTCIB-KDOFPFPSSA-N -1 1 334.427 3.548 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2ccsc2)c(-c2nnn[n-]2)s1 ZINC000824131346 607929956 /nfs/dbraw/zinc/92/99/56/607929956.db2.gz ZDQBHJZTWFIASX-UHFFFAOYSA-N -1 1 333.442 3.540 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2ccsc2)c(-c2nn[n-]n2)s1 ZINC000824131346 607929957 /nfs/dbraw/zinc/92/99/57/607929957.db2.gz ZDQBHJZTWFIASX-UHFFFAOYSA-N -1 1 333.442 3.540 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC[C@@H](CCC(=O)[O-])C3)co2)cc1 ZINC000324579259 971134740 /nfs/dbraw/zinc/13/47/40/971134740.db2.gz FTJVRBGJLANJIM-HNNXBMFYSA-N -1 1 328.412 3.727 20 0 EHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000161542606 949385449 /nfs/dbraw/zinc/38/54/49/949385449.db2.gz RSJFZCMFCHVDHH-HNNXBMFYSA-N -1 1 334.213 3.673 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(F)c2OC(F)F)C1 ZINC000662210564 954381421 /nfs/dbraw/zinc/38/14/21/954381421.db2.gz HPXGBXGMIFQDKC-NSHDSACASA-N -1 1 331.334 3.504 20 0 EHADMM CN(Cc1csc(Br)c1)Cc1cccc(C(=O)[O-])c1 ZINC000042362858 957411859 /nfs/dbraw/zinc/41/18/59/957411859.db2.gz FDPWPQZUPDXGRW-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM Cc1cc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)c(Br)cc1F ZINC001594303233 957930368 /nfs/dbraw/zinc/93/03/68/957930368.db2.gz OCXOLXRDGMOWAD-WDEREUQCSA-N -1 1 344.224 3.582 20 0 EHADMM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccccc1Br ZINC000167671820 959352869 /nfs/dbraw/zinc/35/28/69/959352869.db2.gz AHPLKJTZSUHAIO-GFCCVEGCSA-N -1 1 348.240 3.927 20 0 EHADMM O=C([O-])C1(CCSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)CCC1 ZINC001574638281 962323824 /nfs/dbraw/zinc/32/38/24/962323824.db2.gz HXGXBNCURROMRT-UHFFFAOYSA-N -1 1 343.452 3.698 20 0 EHADMM C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315832966 963940256 /nfs/dbraw/zinc/94/02/56/963940256.db2.gz BWZKVLHSOSWECA-OQPBUACISA-N -1 1 339.716 3.879 20 0 EHADMM O=C([O-])c1ccccc1C1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000662206381 968753898 /nfs/dbraw/zinc/75/38/98/968753898.db2.gz SGJNLPQVXDRSPH-UHFFFAOYSA-N -1 1 326.396 3.630 20 0 EHADMM CCCCc1nc2ccc(NC(=O)C(CC)(CC)C(=O)[O-])cc2[nH]1 ZINC001603653463 974021723 /nfs/dbraw/zinc/02/17/23/974021723.db2.gz WYYWTUSVQBWAOK-UHFFFAOYSA-N -1 1 331.416 3.735 20 0 EHADMM Cc1c(NS(=O)(=O)c2csc3ccccc32)cccc1C(=O)[O-] ZINC000504601332 974270285 /nfs/dbraw/zinc/27/02/85/974270285.db2.gz JNDINVXTOCOLJJ-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)cc1C ZINC000572434021 974747939 /nfs/dbraw/zinc/74/79/39/974747939.db2.gz GDUNEDRISRMHNB-INIZCTEOSA-N -1 1 348.240 3.981 20 0 EHADMM CC(C)[C@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CCS1 ZINC000579364392 974873982 /nfs/dbraw/zinc/87/39/82/974873982.db2.gz GZRBZVFGQIWEER-TZMCWYRMSA-N -1 1 331.840 3.678 20 0 EHADMM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CCS1 ZINC000579364391 974874242 /nfs/dbraw/zinc/87/42/42/974874242.db2.gz GZRBZVFGQIWEER-OCCSQVGLSA-N -1 1 331.840 3.678 20 0 EHADMM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CCS1 ZINC000579364390 974874412 /nfs/dbraw/zinc/87/44/12/974874412.db2.gz GZRBZVFGQIWEER-JSGCOSHPSA-N -1 1 331.840 3.678 20 0 EHADMM CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C12CCC2 ZINC000652440891 975534287 /nfs/dbraw/zinc/53/42/87/975534287.db2.gz FHFISHLMQDPDMZ-JKSUJKDBSA-N -1 1 337.847 3.818 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C2SCCCS2)c1 ZINC000841414515 1030757320 /nfs/dbraw/zinc/75/73/20/1030757320.db2.gz POFIXIIDFDZXRS-UHFFFAOYSA-N -1 1 348.287 3.598 20 0 EHADMM CC(C)c1[nH]c(CN2CCCc3ccccc3CC2)cc1C(=O)[O-] ZINC001591912229 976339476 /nfs/dbraw/zinc/33/94/76/976339476.db2.gz HHVIMTABUFZLNZ-UHFFFAOYSA-N -1 1 326.440 3.827 20 0 EHADMM O=C([O-])[C@H](NC/C=C/c1ccc(F)cc1F)c1cc(F)ccc1F ZINC000756365074 978699598 /nfs/dbraw/zinc/69/95/98/978699598.db2.gz QXVJPOUWOMOAMO-XGBNDESESA-N -1 1 339.288 3.672 20 0 EHADMM O=C([O-])c1ccc(COc2ccccc2CN2CCSCC2)cc1 ZINC000901417227 980263361 /nfs/dbraw/zinc/26/33/61/980263361.db2.gz IUBQURUPVYOFAI-UHFFFAOYSA-N -1 1 343.448 3.513 20 0 EHADMM COCCN(CCC(=O)[O-])Cc1c(Cl)cccc1SC(C)C ZINC000901660556 980431490 /nfs/dbraw/zinc/43/14/90/980431490.db2.gz CXYBZOJBLMDMDA-UHFFFAOYSA-N -1 1 345.892 3.764 20 0 EHADMM CO[C@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)[C@H](C(=O)[O-])C1 ZINC000902031884 980703409 /nfs/dbraw/zinc/70/34/09/980703409.db2.gz IDEQSFQUPYFHOU-HOCLYGCPSA-N -1 1 349.427 3.618 20 0 EHADMM O=C([O-])CN(Cc1ccc(Sc2ccccn2)o1)C1CCCC1 ZINC000902040023 980710653 /nfs/dbraw/zinc/71/06/53/980710653.db2.gz UPXPRMCIMSGZDP-UHFFFAOYSA-N -1 1 332.425 3.655 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000902115579 980742038 /nfs/dbraw/zinc/74/20/38/980742038.db2.gz CHHMJJDCPXUEER-SECBINFHSA-N -1 1 325.311 3.738 20 0 EHADMM COCCSc1ccc([C@@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000902232026 980793031 /nfs/dbraw/zinc/79/30/31/980793031.db2.gz UNWGWANSJKFLPD-GFCCVEGCSA-N -1 1 335.425 3.567 20 0 EHADMM Cc1oc(CN2CCC(c3nc4c(s3)CCC4)CC2)cc1C(=O)[O-] ZINC000903916094 981037399 /nfs/dbraw/zinc/03/73/99/981037399.db2.gz ICRIAOYJZFGHRC-UHFFFAOYSA-N -1 1 346.452 3.611 20 0 EHADMM CCCC(=O)Nc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001595529337 981362696 /nfs/dbraw/zinc/36/26/96/981362696.db2.gz MMSRFGXLMCKORS-LBPRGKRZSA-N -1 1 330.384 3.567 20 0 EHADMM CC[C@](C)(NCc1ccc(C(=O)[O-])c2cccnc12)c1nccs1 ZINC001594852599 982095615 /nfs/dbraw/zinc/09/56/15/982095615.db2.gz OLTYXRUIFZLZBI-SFHVURJKSA-N -1 1 341.436 3.805 20 0 EHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(OC(F)F)cc1 ZINC000538020374 1032107495 /nfs/dbraw/zinc/10/74/95/1032107495.db2.gz DFQANLPGANEWAT-QMMMGPOBSA-N -1 1 343.276 3.763 20 0 EHADMM CC(=Cc1ccc(C)cc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001588999430 984937735 /nfs/dbraw/zinc/93/77/35/984937735.db2.gz UWRGXJOZHJDXAG-ZRDIBKRKSA-N -1 1 335.363 3.612 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC001599960556 985772559 /nfs/dbraw/zinc/77/25/59/985772559.db2.gz UPCICIQQXORQFM-UGSOOPFHSA-N -1 1 340.423 3.677 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC001599960553 985772942 /nfs/dbraw/zinc/77/29/42/985772942.db2.gz UPCICIQQXORQFM-FZKQIMNGSA-N -1 1 340.423 3.677 20 0 EHADMM CCSc1cccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001597272703 987323179 /nfs/dbraw/zinc/32/31/79/987323179.db2.gz JOXZPJQMVATRDX-UHFFFAOYSA-N -1 1 341.392 3.625 20 0 EHADMM CCc1cccc2cc(CNCc3cc(C(=O)[O-])c(C)n3C)oc21 ZINC001597603424 988466379 /nfs/dbraw/zinc/46/63/79/988466379.db2.gz BBSAASGTVGLBHB-UHFFFAOYSA-N -1 1 326.396 3.630 20 0 EHADMM CC(C)(C)c1[nH]ncc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001590536799 990149482 /nfs/dbraw/zinc/14/94/82/990149482.db2.gz HOQFPUHAVBNDPS-UHFFFAOYSA-N -1 1 337.379 3.811 20 0 EHADMM COc1ccccc1[C@H](NC1CCC(C(=O)[O-])CC1)c1ccco1 ZINC001599699943 991202577 /nfs/dbraw/zinc/20/25/77/991202577.db2.gz JJDRERQWRBBLFN-JRSKDTKFSA-N -1 1 329.396 3.611 20 0 EHADMM COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1cncc(C(=O)[O-])c1 ZINC001599704562 991272725 /nfs/dbraw/zinc/27/27/25/991272725.db2.gz RJFROFGJTYWSJN-RDTXWAMCSA-N -1 1 340.423 3.762 20 0 EHADMM CC(C)CCN1Cc2cccc(NC(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC001591245891 992140411 /nfs/dbraw/zinc/14/04/11/992140411.db2.gz HTTYVMBCGOHJKE-UHFFFAOYSA-N -1 1 342.395 3.592 20 0 EHADMM CN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598517359 992632740 /nfs/dbraw/zinc/63/27/40/992632740.db2.gz FEXLVNWPVZWLML-VRZZLATASA-N -1 1 331.334 3.930 20 0 EHADMM C[C@@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(C(=O)[O-])o1 ZINC001593195813 994150571 /nfs/dbraw/zinc/15/05/71/994150571.db2.gz FZCJDCJLSQWKPE-NWDGAFQWSA-N -1 1 342.395 3.738 20 0 EHADMM C[C@H](NCc1cc(Br)cs1)c1cc(C(=O)[O-])co1 ZINC001593288370 994654467 /nfs/dbraw/zinc/65/44/67/994654467.db2.gz HXBSUZDPPFANKC-ZETCQYMHSA-N -1 1 330.203 3.653 20 0 EHADMM C[C@H](NCc1cccc(C(=O)OC(C)(C)C)c1)c1cc(C(=O)[O-])co1 ZINC001593304282 994743996 /nfs/dbraw/zinc/74/39/96/994743996.db2.gz KRSVXDKWQIMZPE-LBPRGKRZSA-N -1 1 345.395 3.784 20 0 EHADMM C[C@@H](Oc1ccccc1CNc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC001593652580 996018230 /nfs/dbraw/zinc/01/82/30/996018230.db2.gz YMOXGQQEEKYESA-SNVBAGLBSA-N -1 1 345.786 3.680 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000080024787 1016006658 /nfs/dbraw/zinc/00/66/58/1016006658.db2.gz PKDUEDWRPZKNHC-UHFFFAOYSA-N -1 1 335.325 3.829 20 0 EHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001593728138 996288571 /nfs/dbraw/zinc/28/85/71/996288571.db2.gz CADSEDYYOQFBRV-VLIAUNLRSA-N -1 1 340.423 3.804 20 0 EHADMM C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC001593734414 996324046 /nfs/dbraw/zinc/32/40/46/996324046.db2.gz UYFSIUVFOFHNJH-JTQLQIEISA-N -1 1 344.802 3.503 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2cc(-c3nnco3)ccc2C)c1 ZINC001625833203 1016063555 /nfs/dbraw/zinc/06/35/55/1016063555.db2.gz LBMOYNYORMEJHO-UHFFFAOYSA-N -1 1 341.392 3.725 20 0 EHADMM COc1cc(C(=O)N2CCc3cccc(C)c3C2)cc(Cl)c1[O-] ZINC000430344179 1016417990 /nfs/dbraw/zinc/41/79/90/1016417990.db2.gz NMLRZNXPARDQJJ-UHFFFAOYSA-N -1 1 331.799 3.561 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 ZINC000613562546 1016566425 /nfs/dbraw/zinc/56/64/25/1016566425.db2.gz QIANBNBFLKDBAI-LLVKDONJSA-N -1 1 339.416 3.835 20 0 EHADMM CN(Cc1ccc([O-])c(F)c1F)Cc1ncccc1C(F)(F)F ZINC001140888342 1016729415 /nfs/dbraw/zinc/72/94/15/1016729415.db2.gz PKSPOVKMPGLBQH-UHFFFAOYSA-N -1 1 332.272 3.716 20 0 EHADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000023601442 1032291089 /nfs/dbraw/zinc/29/10/89/1032291089.db2.gz OVDRNIOGNUPOOE-UHFFFAOYSA-N -1 1 341.741 3.919 20 0 EHADMM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000184586259 1032299413 /nfs/dbraw/zinc/29/94/13/1032299413.db2.gz NYBYSKUYSKFEAE-UHFFFAOYSA-N -1 1 349.803 3.694 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c1Cl ZINC000538364087 1032310957 /nfs/dbraw/zinc/31/09/57/1032310957.db2.gz JPBGHMQIDAYLFO-UHFFFAOYSA-N -1 1 341.864 3.761 20 0 EHADMM O=S(=O)([N-]CC1CC=CC1)c1c(Cl)cccc1C(F)(F)F ZINC000528473465 1032346582 /nfs/dbraw/zinc/34/65/82/1032346582.db2.gz YQOBADMHGGFWFW-UHFFFAOYSA-N -1 1 339.766 3.603 20 0 EHADMM COc1cc(-c2nc([C@@H]3CCOC(C)(C)C3)no2)cc(Cl)c1[O-] ZINC000351189646 1032386503 /nfs/dbraw/zinc/38/65/03/1032386503.db2.gz OSADACUIHWGFKZ-SECBINFHSA-N -1 1 338.791 3.777 20 0 EHADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000536892194 1032402205 /nfs/dbraw/zinc/40/22/05/1032402205.db2.gz BOHVQWFRJYLMIP-UHFFFAOYSA-N -1 1 344.480 3.912 20 0 EHADMM Cc1ccc(Sc2nsc([N-]C(=O)c3nccs3)n2)cc1 ZINC000683554430 1017333969 /nfs/dbraw/zinc/33/39/69/1017333969.db2.gz MHBGCZUITGTPRX-UHFFFAOYSA-N -1 1 334.451 3.707 20 0 EHADMM CN(CC(F)(F)Br)C(=O)c1cc2ccccc2cc1[O-] ZINC000807865866 1017672071 /nfs/dbraw/zinc/67/20/71/1017672071.db2.gz MDHXJNJSQLOAOY-UHFFFAOYSA-N -1 1 344.155 3.605 20 0 EHADMM O=S(=O)(c1ncc(-c2ccc(F)cc2)[n-]1)[C@@H]1CCc2ccccc21 ZINC000683730360 1018228095 /nfs/dbraw/zinc/22/80/95/1018228095.db2.gz LAXPNUJMKBMHAU-QGZVFWFLSA-N -1 1 342.395 3.677 20 0 EHADMM O=S(=O)(c1nc(-c2ccc(F)cc2)c[n-]1)[C@@H]1CCc2ccccc21 ZINC000683730360 1018228105 /nfs/dbraw/zinc/22/81/05/1018228105.db2.gz LAXPNUJMKBMHAU-QGZVFWFLSA-N -1 1 342.395 3.677 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000322349808 1019063786 /nfs/dbraw/zinc/06/37/86/1019063786.db2.gz FMEDEVWXEFQPAB-UHFFFAOYSA-N -1 1 335.473 3.806 20 0 EHADMM CC(C)c1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)no1 ZINC000255474648 1019203306 /nfs/dbraw/zinc/20/33/06/1019203306.db2.gz NNPJPESDLZSGAH-WAYWQWQTSA-N -1 1 330.369 3.665 20 0 EHADMM CC[C@@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)[C@H]1CCCCO1 ZINC000656226558 1019433812 /nfs/dbraw/zinc/43/38/12/1019433812.db2.gz IGUYUJOLNQTNGG-HZPDHXFCSA-N -1 1 342.443 3.621 20 0 EHADMM COc1ccncc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000580589708 1019700069 /nfs/dbraw/zinc/70/00/69/1019700069.db2.gz HBJDZMDZJHCIIA-UHFFFAOYSA-N -1 1 339.420 3.854 20 0 EHADMM CCCCc1cc([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[nH]1 ZINC000760321543 1032854979 /nfs/dbraw/zinc/85/49/79/1032854979.db2.gz GUTGVTXXLSHBSH-KTKRTIGZSA-N -1 1 339.848 3.818 20 0 EHADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000057497976 1019887059 /nfs/dbraw/zinc/88/70/59/1019887059.db2.gz VDZQESONPJDWMN-UHFFFAOYSA-N -1 1 346.452 3.878 20 0 EHADMM Cc1nc(C(C)C)ccc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000580838688 1020125570 /nfs/dbraw/zinc/12/55/70/1020125570.db2.gz RJHSQHRLDZPCRS-UHFFFAOYSA-N -1 1 342.439 3.609 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2Br)C1 ZINC000062877529 1032884586 /nfs/dbraw/zinc/88/45/86/1032884586.db2.gz IAGGJKMIPYBXEA-HNNXBMFYSA-N -1 1 344.224 3.665 20 0 EHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2=O ZINC000581351514 1020729840 /nfs/dbraw/zinc/72/98/40/1020729840.db2.gz HQZPKJYPXKOLJE-UHFFFAOYSA-N -1 1 329.421 3.740 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2cc(F)c(F)c(F)c2)CC1 ZINC000124038410 1020882122 /nfs/dbraw/zinc/88/21/22/1020882122.db2.gz RDUIUVYQSVPIEB-UHFFFAOYSA-N -1 1 349.352 3.904 20 0 EHADMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1 ZINC000656614842 1021032908 /nfs/dbraw/zinc/03/29/08/1021032908.db2.gz QEILDJDHQPEZPM-CYBMUJFWSA-N -1 1 347.436 3.867 20 0 EHADMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000656617651 1021034113 /nfs/dbraw/zinc/03/41/13/1021034113.db2.gz AZYWXMNDXZUHSK-CYBMUJFWSA-N -1 1 349.452 3.987 20 0 EHADMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000656626417 1021057592 /nfs/dbraw/zinc/05/75/92/1021057592.db2.gz LSLSZKUZHIZUHA-ZDUSSCGKSA-N -1 1 347.436 3.695 20 0 EHADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000096171038 1032955344 /nfs/dbraw/zinc/95/53/44/1032955344.db2.gz QGBOHTNMYXXNEG-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM COC(=O)C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000436778519 1021209665 /nfs/dbraw/zinc/20/96/65/1021209665.db2.gz SNQNZGHEBLBAMG-SFHVURJKSA-N -1 1 349.386 3.580 20 0 EHADMM Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3[O-])c12 ZINC000436814081 1021257754 /nfs/dbraw/zinc/25/77/54/1021257754.db2.gz QUTGUIORYIZOTK-UHFFFAOYSA-N -1 1 327.315 3.506 20 0 EHADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCCC1CCC1)CC2 ZINC000656754679 1021283290 /nfs/dbraw/zinc/28/32/90/1021283290.db2.gz AZKSTKHQXCPWBW-KRWDZBQOSA-N -1 1 347.455 3.658 20 0 EHADMM CCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1ccccc1 ZINC000436841884 1021287041 /nfs/dbraw/zinc/28/70/41/1021287041.db2.gz TWIATPBWDMPIGR-UHFFFAOYSA-N -1 1 325.343 3.532 20 0 EHADMM COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC000436842671 1021287106 /nfs/dbraw/zinc/28/71/06/1021287106.db2.gz WKEHBBXDLYKPHZ-UHFFFAOYSA-N -1 1 331.343 3.694 20 0 EHADMM CC(C)Oc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)nc1 ZINC000436869648 1021311058 /nfs/dbraw/zinc/31/10/58/1021311058.db2.gz NLSXPGIXWQHHSD-UHFFFAOYSA-N -1 1 331.759 3.945 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccccc3-n3cccn3)n2)c(Cl)c1 ZINC000436873431 1021315789 /nfs/dbraw/zinc/31/57/89/1021315789.db2.gz PLDDMSGFOKYYTB-UHFFFAOYSA-N -1 1 338.754 3.948 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(Cc2coc(-c3cccs3)n2)no1 ZINC000436888571 1021341317 /nfs/dbraw/zinc/34/13/17/1021341317.db2.gz NXKBDRXDATVVFK-UHFFFAOYSA-N -1 1 343.339 3.889 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(CCCOc2ccc(F)cc2)no1 ZINC000436911078 1021355948 /nfs/dbraw/zinc/35/59/48/1021355948.db2.gz RZKLBBIJQNYYHE-UHFFFAOYSA-N -1 1 332.306 3.732 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCCc3ccccc3)no2)c1 ZINC000436897648 1021364070 /nfs/dbraw/zinc/36/40/70/1021364070.db2.gz SNISVHLGZAPNSB-UHFFFAOYSA-N -1 1 337.379 3.576 20 0 EHADMM COc1ccc(-c2nc(-c3cnc4ccccc4c3OC)no2)c([O-])c1 ZINC000436930804 1021368124 /nfs/dbraw/zinc/36/81/24/1021368124.db2.gz IOIFAKFVANZMLI-UHFFFAOYSA-N -1 1 349.346 3.675 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)ccc1F ZINC000507582605 1021373011 /nfs/dbraw/zinc/37/30/11/1021373011.db2.gz KJSDMRBSRWOXMJ-UHFFFAOYSA-N -1 1 345.754 3.622 20 0 EHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc2ccccc2n1C(F)F ZINC000436925279 1021385086 /nfs/dbraw/zinc/38/50/86/1021385086.db2.gz IHVMRCBORIVVJY-VIFPVBQESA-N -1 1 349.312 3.767 20 0 EHADMM O=c1[nH]c2ccc(-c3noc(-c4ccc5ccccc5c4[O-])n3)cc2[nH]1 ZINC000436938606 1021401324 /nfs/dbraw/zinc/40/13/24/1021401324.db2.gz KDOMUXYWWDSVLQ-UHFFFAOYSA-N -1 1 344.330 3.844 20 0 EHADMM CC[C@@H](C)Oc1cc(-c2noc(-c3ccc(OC)cc3[O-])n2)ccn1 ZINC000436942332 1021403908 /nfs/dbraw/zinc/40/39/08/1021403908.db2.gz GQGKGCHPOHBLAF-LLVKDONJSA-N -1 1 341.367 3.690 20 0 EHADMM COc1ccccc1SC[C@H](C)CNC(=O)c1c([O-])cccc1F ZINC000436945395 1021406225 /nfs/dbraw/zinc/40/62/25/1021406225.db2.gz PUSCSVSPMYXGBD-GFCCVEGCSA-N -1 1 349.427 3.698 20 0 EHADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436956579 1021421347 /nfs/dbraw/zinc/42/13/47/1021421347.db2.gz SISVOBBOIBXHII-MRXNPFEDSA-N -1 1 341.798 3.630 20 0 EHADMM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1c([O-])cccc1F ZINC000436957633 1021422746 /nfs/dbraw/zinc/42/27/46/1021422746.db2.gz ZFXVMCPWMYILOC-GFCCVEGCSA-N -1 1 341.304 3.997 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000078657406 1021587109 /nfs/dbraw/zinc/58/71/09/1021587109.db2.gz DUKYOTRVHODWGP-UHFFFAOYSA-N -1 1 343.398 3.505 20 0 EHADMM CC[C@H](C)Sc1ccc([N-]S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000130144050 1021700840 /nfs/dbraw/zinc/70/08/40/1021700840.db2.gz GDCFPPVQMNVIKI-QMMMGPOBSA-N -1 1 327.393 3.968 20 0 EHADMM CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccc(C)c1 ZINC000298310351 1021816126 /nfs/dbraw/zinc/81/61/26/1021816126.db2.gz RFNDEJZHACFMFI-UHFFFAOYSA-N -1 1 345.468 3.507 20 0 EHADMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1c(F)ccc([O-])c1F ZINC000343798966 1033008919 /nfs/dbraw/zinc/00/89/19/1033008919.db2.gz ZGGKQCMZMOJDGB-VIFPVBQESA-N -1 1 348.374 3.641 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc2o1 ZINC000581859202 1021919568 /nfs/dbraw/zinc/91/95/68/1021919568.db2.gz CDFHSZRVTGNCJG-UHFFFAOYSA-N -1 1 345.405 3.547 20 0 EHADMM Cc1[nH]c2ccccc2c1C(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000517021909 1021950143 /nfs/dbraw/zinc/95/01/43/1021950143.db2.gz NDBMSHLVTHJHSR-UHFFFAOYSA-N -1 1 327.409 3.564 20 0 EHADMM Cc1cnc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c([O-])c1 ZINC000426585128 1021980184 /nfs/dbraw/zinc/98/01/84/1021980184.db2.gz CGUKNEHYFRZKIS-UHFFFAOYSA-N -1 1 325.195 3.675 20 0 EHADMM CCc1nc(CNCc2cccc(-c3cccnc3)c2)ccc1C(=O)[O-] ZINC000426646545 1022140820 /nfs/dbraw/zinc/14/08/20/1022140820.db2.gz JRWSFPGQUQHACR-UHFFFAOYSA-N -1 1 347.418 3.694 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000303834451 1022551800 /nfs/dbraw/zinc/55/18/00/1022551800.db2.gz BXBXWJKLCUQLBH-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM CC(C)[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)N1CCCCC1 ZINC000330668108 1022632611 /nfs/dbraw/zinc/63/26/11/1022632611.db2.gz BZFSIHCAPSKZOV-HNNXBMFYSA-N -1 1 328.815 3.634 20 0 EHADMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccsc1 ZINC000438774095 1022988777 /nfs/dbraw/zinc/98/87/77/1022988777.db2.gz DBKZOJJQNCPZME-UHFFFAOYSA-N -1 1 346.271 3.928 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1nc2c(s1)C[C@H](C)CC2)c1ccccc1 ZINC000426754265 1023025635 /nfs/dbraw/zinc/02/56/35/1023025635.db2.gz OZDCZRHKJUPMOT-SNUQEOBHSA-N -1 1 344.480 3.820 20 0 EHADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1 ZINC000073743531 1023039413 /nfs/dbraw/zinc/03/94/13/1023039413.db2.gz SDQFHPCRKAEZMX-UHFFFAOYSA-N -1 1 345.464 3.555 20 0 EHADMM CCOc1ccc(C2=CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000091925441 1023157778 /nfs/dbraw/zinc/15/77/78/1023157778.db2.gz OUFSRJGWDDMDHG-UHFFFAOYSA-N -1 1 341.382 3.860 20 0 EHADMM CCSc1nnc([N-]C(=O)c2csc(-c3ccoc3)n2)s1 ZINC000341738212 1023218635 /nfs/dbraw/zinc/21/86/35/1023218635.db2.gz OEAYAHLRJOMUKN-UHFFFAOYSA-N -1 1 338.439 3.619 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC000843774383 1023285297 /nfs/dbraw/zinc/28/52/97/1023285297.db2.gz LLELGEXMGYCUQD-INIZCTEOSA-N -1 1 339.439 3.837 20 0 EHADMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(F)ccc3[O-])[C@H](C)CO2)c1 ZINC000091682759 1023294947 /nfs/dbraw/zinc/29/49/47/1023294947.db2.gz LPUXNTRKBPADKX-KUHUBIRLSA-N -1 1 343.398 3.750 20 0 EHADMM C/C=C(\C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000176311091 1023922333 /nfs/dbraw/zinc/92/23/33/1023922333.db2.gz WGKUEORKOBLCKV-YIXHJXPBSA-N -1 1 344.436 3.701 20 0 EHADMM C[C@@H](CC(=O)[N-]OCc1ccccn1)c1ccc(Br)cc1 ZINC000909539367 1024101695 /nfs/dbraw/zinc/10/16/95/1024101695.db2.gz PRULKSYQELXFCH-LBPRGKRZSA-N -1 1 349.228 3.586 20 0 EHADMM Cc1cccc2c1CCN(C(=O)c1ccc(Br)cc1[O-])C2 ZINC000729538045 1024121140 /nfs/dbraw/zinc/12/11/40/1024121140.db2.gz MACFTQSRDKYOBO-UHFFFAOYSA-N -1 1 346.224 3.662 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(NC(N)=O)cc1 ZINC000093964961 1024125468 /nfs/dbraw/zinc/12/54/68/1024125468.db2.gz SZBSHGPNDUPVQO-LBPRGKRZSA-N -1 1 349.390 3.527 20 0 EHADMM CCc1ccc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2OC)cc1 ZINC000277207698 1024208193 /nfs/dbraw/zinc/20/81/93/1024208193.db2.gz GXTKHMPJXOHPFF-QGZVFWFLSA-N -1 1 343.423 3.572 20 0 EHADMM Cn1ccc2c1cccc2C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000535695965 1024268028 /nfs/dbraw/zinc/26/80/28/1024268028.db2.gz GFAJMYCBKVRLCX-UHFFFAOYSA-N -1 1 332.363 3.526 20 0 EHADMM Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCC(=O)[O-])co2)cc1 ZINC000324297172 1024379036 /nfs/dbraw/zinc/37/90/36/1024379036.db2.gz UUHUMDUAOQXIBB-KRWDZBQOSA-N -1 1 328.412 3.869 20 0 EHADMM Cc1cccc([C@@H]2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)c1 ZINC000346088245 1024387431 /nfs/dbraw/zinc/38/74/31/1024387431.db2.gz XRCMNKGEYNEIAI-MRXNPFEDSA-N -1 1 347.418 3.582 20 0 EHADMM Cc1cccc([C@@H]2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)c1 ZINC000346088245 1024387447 /nfs/dbraw/zinc/38/74/47/1024387447.db2.gz XRCMNKGEYNEIAI-MRXNPFEDSA-N -1 1 347.418 3.582 20 0 EHADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccccc2Cl)cc1OC ZINC000277278654 1024426156 /nfs/dbraw/zinc/42/61/56/1024426156.db2.gz LWLWBPABRWGBLU-HNNXBMFYSA-N -1 1 349.814 3.663 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)s1 ZINC000434970199 1024532155 /nfs/dbraw/zinc/53/21/55/1024532155.db2.gz AMGUAFDDJWDJRC-UHFFFAOYSA-N -1 1 333.438 3.501 20 0 EHADMM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000520737424 1024573808 /nfs/dbraw/zinc/57/38/08/1024573808.db2.gz PRYGNVMYMJNQRV-SFHVURJKSA-N -1 1 347.418 3.584 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H]1c1ccccc1 ZINC001141665023 1024606034 /nfs/dbraw/zinc/60/60/34/1024606034.db2.gz JVWQBYIWUIJJAB-CQSZACIVSA-N -1 1 332.197 3.742 20 0 EHADMM CCS(=O)(=O)[N-]c1cc(-c2ccccc2SC)ccc1OC ZINC000665221692 1024683812 /nfs/dbraw/zinc/68/38/12/1024683812.db2.gz LDDGOGGXXOGLCJ-UHFFFAOYSA-N -1 1 337.466 3.846 20 0 EHADMM O=S(=O)([N-]c1ncccc1F)c1cccc(-c2ccccc2)c1 ZINC000508179895 1024948697 /nfs/dbraw/zinc/94/86/97/1024948697.db2.gz KVDIPEDWKNXEER-UHFFFAOYSA-N -1 1 328.368 3.689 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)cc1 ZINC000474432729 1024960217 /nfs/dbraw/zinc/96/02/17/1024960217.db2.gz NNIPWUBYFOCERO-UHFFFAOYSA-N -1 1 349.456 3.657 20 0 EHADMM COc1ccc(Cc2noc(-c3ccc4ccccc4c3[O-])n2)cn1 ZINC000327532278 1025057976 /nfs/dbraw/zinc/05/79/76/1025057976.db2.gz JVIKPJYGKJLTRY-UHFFFAOYSA-N -1 1 333.347 3.590 20 0 EHADMM C[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)C(F)(F)F ZINC000582064760 1025137400 /nfs/dbraw/zinc/13/74/00/1025137400.db2.gz PWRSIHUEHKSKCP-SCSAIBSYSA-N -1 1 346.530 3.945 20 0 EHADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2cccc(COC)c2)c1 ZINC000435983006 1025268423 /nfs/dbraw/zinc/26/84/23/1025268423.db2.gz YCYMFFDERZQXTM-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1ccccc1Cl ZINC000515513755 1025309663 /nfs/dbraw/zinc/30/96/63/1025309663.db2.gz FHRYONBRGVVXIX-ZDUSSCGKSA-N -1 1 349.761 3.922 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000436025585 1025311004 /nfs/dbraw/zinc/31/10/04/1025311004.db2.gz WMYWEMYONIHVTH-UHFFFAOYSA-N -1 1 337.466 3.746 20 0 EHADMM C[C@@H]1[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCN1c1ccccc1 ZINC000474733324 1025399593 /nfs/dbraw/zinc/39/95/93/1025399593.db2.gz DYRZKYXRRIZOLQ-IUODEOHRSA-N -1 1 330.815 3.899 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCc3cc(C)ccc32)cc(Cl)c1[O-] ZINC000442945821 1025615193 /nfs/dbraw/zinc/61/51/93/1025615193.db2.gz RPBFAYOLBQDMRD-HNNXBMFYSA-N -1 1 331.799 3.780 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(C(C)(C)C)s2)c1 ZINC000277528157 1025692758 /nfs/dbraw/zinc/69/27/58/1025692758.db2.gz ZBBKYRGHFIHYQX-OAHLLOKOSA-N -1 1 348.468 3.755 20 0 EHADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1ccc(Br)cc1 ZINC001227383552 1025762251 /nfs/dbraw/zinc/76/22/51/1025762251.db2.gz PCVVBNHRJAJNHJ-SSDOTTSWSA-N -1 1 329.194 3.807 20 0 EHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000436474896 1025767079 /nfs/dbraw/zinc/76/70/79/1025767079.db2.gz ABOQZOHDBCRKFS-UHFFFAOYSA-N -1 1 338.226 3.893 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)c1 ZINC000436507270 1025800617 /nfs/dbraw/zinc/80/06/17/1025800617.db2.gz WAHMOCYBDRSQDJ-UHFFFAOYSA-N -1 1 338.363 3.529 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000436501902 1025817489 /nfs/dbraw/zinc/81/74/89/1025817489.db2.gz BEZVCZAMXURIHZ-UHFFFAOYSA-N -1 1 347.370 3.683 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000436519868 1025818273 /nfs/dbraw/zinc/81/82/73/1025818273.db2.gz RYQOOSHUEJOWDY-QWHCGFSZSA-N -1 1 345.782 3.574 20 0 EHADMM CCCN(C(=O)c1ccc2ccccc2c1[O-])[C@H](CC)C(=O)OCC ZINC000436524006 1025828325 /nfs/dbraw/zinc/82/83/25/1025828325.db2.gz XVXJOPNDPOGRDX-QGZVFWFLSA-N -1 1 343.423 3.739 20 0 EHADMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000436553550 1025859084 /nfs/dbraw/zinc/85/90/84/1025859084.db2.gz CVSQJXQXLKYWGD-UHFFFAOYSA-N -1 1 337.778 3.726 20 0 EHADMM CCCCOC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436576679 1025881341 /nfs/dbraw/zinc/88/13/41/1025881341.db2.gz RDJOMZMMPLRKMR-UHFFFAOYSA-N -1 1 327.424 3.967 20 0 EHADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000436581823 1025922276 /nfs/dbraw/zinc/92/22/76/1025922276.db2.gz CFVYWZGGABPVLC-GFCCVEGCSA-N -1 1 333.771 3.516 20 0 EHADMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc([O-])cc1F ZINC000436603485 1025935501 /nfs/dbraw/zinc/93/55/01/1025935501.db2.gz HIMSWSGWOIXXQS-GOSISDBHSA-N -1 1 329.371 3.690 20 0 EHADMM CC(C)(CO)[C@H](CNC(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000436611648 1025943681 /nfs/dbraw/zinc/94/36/81/1025943681.db2.gz VMZDFOPOARTSFL-MRXNPFEDSA-N -1 1 347.842 3.578 20 0 EHADMM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc2ccccc2cc1[O-] ZINC000436637033 1025965427 /nfs/dbraw/zinc/96/54/27/1025965427.db2.gz YRIIZBAHDBILQS-NRFANRHFSA-N -1 1 347.414 3.931 20 0 EHADMM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000436678303 1026028733 /nfs/dbraw/zinc/02/87/33/1026028733.db2.gz HDIDIOSRWXGJGF-ZDUSSCGKSA-N -1 1 327.277 3.607 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)c([O-])c1 ZINC000436686076 1026039328 /nfs/dbraw/zinc/03/93/28/1026039328.db2.gz DLZNFVOUCUQUNN-UHFFFAOYSA-N -1 1 325.412 3.763 20 0 EHADMM CCC[C@@H]1CCc2nc(NC(=O)C(=O)c3ccc([O-])cc3)sc2C1 ZINC000436687527 1026041335 /nfs/dbraw/zinc/04/13/35/1026041335.db2.gz IUKDUPDPOMKVOL-LLVKDONJSA-N -1 1 344.436 3.575 20 0 EHADMM O=S(=O)([N-]c1ccccc1F)c1cc(C(F)(F)F)ccc1F ZINC000103057744 1026042120 /nfs/dbraw/zinc/04/21/20/1026042120.db2.gz IFJNPGODRHCUQN-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436690136 1026044998 /nfs/dbraw/zinc/04/49/98/1026044998.db2.gz GYPFERFDMZCLMN-VIFPVBQESA-N -1 1 341.741 3.521 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCN(c2ccccc2F)CC1 ZINC000436698403 1026059010 /nfs/dbraw/zinc/05/90/10/1026059010.db2.gz MFOGEJIZDUYHIJ-UHFFFAOYSA-N -1 1 348.805 3.537 20 0 EHADMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)c2ccc([O-])cc2)o1 ZINC000436706144 1026067001 /nfs/dbraw/zinc/06/70/01/1026067001.db2.gz UOYVMFJCRDSUNM-CXAGYDPISA-N -1 1 341.407 3.730 20 0 EHADMM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])[nH]1 ZINC000436739225 1026106262 /nfs/dbraw/zinc/10/62/62/1026106262.db2.gz PMVZDQBNXVKXGK-NWDGAFQWSA-N -1 1 338.411 3.668 20 0 EHADMM C[C@H]1COc2ccccc2CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436738758 1026107147 /nfs/dbraw/zinc/10/71/47/1026107147.db2.gz ULJXFQDEVAUSCI-AWEZNQCLSA-N -1 1 333.387 3.969 20 0 EHADMM O=C(N[C@@H]1CCCc2occc21)c1ccc(Br)cc1[O-] ZINC000436741956 1026109759 /nfs/dbraw/zinc/10/97/59/1026109759.db2.gz WHGXZQGVOLBHGG-GFCCVEGCSA-N -1 1 336.185 3.555 20 0 EHADMM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000436750235 1026140095 /nfs/dbraw/zinc/14/00/95/1026140095.db2.gz FHZQKTQINLEXJW-UHFFFAOYSA-N -1 1 341.285 3.768 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H]1Cc1ccccc1 ZINC000436753931 1026142736 /nfs/dbraw/zinc/14/27/36/1026142736.db2.gz WOMZPJHRAYZISM-CQSZACIVSA-N -1 1 335.325 3.868 20 0 EHADMM O=C(NCc1cccc2cccnc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872559 1026267278 /nfs/dbraw/zinc/26/72/78/1026267278.db2.gz VRJOEELFVIHUTF-UHFFFAOYSA-N -1 1 346.308 3.889 20 0 EHADMM CC(C)c1ccc2nc(-c3cn(Cc4ccccc4)nn3)[n-]c(=O)c2c1 ZINC000487467823 1026394615 /nfs/dbraw/zinc/39/46/15/1026394615.db2.gz CAJBCIBREDHELJ-UHFFFAOYSA-N -1 1 345.406 3.766 20 0 EHADMM Cc1nc(-c2ccc(NCc3cc4ccccc4[nH]3)nc2)[n-]c(=O)c1C ZINC000301395220 1026791693 /nfs/dbraw/zinc/79/16/93/1026791693.db2.gz FCZJPLQFDUMUPL-UHFFFAOYSA-N -1 1 345.406 3.954 20 0 EHADMM Cc1cnc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)s1 ZINC000301568037 1026857388 /nfs/dbraw/zinc/85/73/88/1026857388.db2.gz QKHMSTSTVSTTGO-LBPRGKRZSA-N -1 1 341.440 3.799 20 0 EHADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632713458 1027090647 /nfs/dbraw/zinc/09/06/47/1027090647.db2.gz CGORRJVPDFKSHL-LBPRGKRZSA-N -1 1 335.753 3.778 20 0 EHADMM CCN(CC(=O)Nc1ccc(F)cc1[O-])Cc1ccccc1Cl ZINC000501343007 1027214232 /nfs/dbraw/zinc/21/42/32/1027214232.db2.gz RRSAMAIPTSHIDU-UHFFFAOYSA-N -1 1 336.794 3.645 20 0 EHADMM Cc1ccc2c(c1)CCN(c1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)C2 ZINC000302709190 1027249161 /nfs/dbraw/zinc/24/91/61/1027249161.db2.gz KFHOOXTXXBVERX-UHFFFAOYSA-N -1 1 346.434 3.732 20 0 EHADMM O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(F)cc1[O-] ZINC000531755868 1027284432 /nfs/dbraw/zinc/28/44/32/1027284432.db2.gz JTBQXSMVBVJRGB-UHFFFAOYSA-N -1 1 342.395 3.760 20 0 EHADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000127750459 1027350522 /nfs/dbraw/zinc/35/05/22/1027350522.db2.gz IZDSGRIJTPJSMH-SFHVURJKSA-N -1 1 347.418 3.517 20 0 EHADMM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000664298439 1027414807 /nfs/dbraw/zinc/41/48/07/1027414807.db2.gz HWVPLKSKPKQFCA-QGZVFWFLSA-N -1 1 347.418 3.517 20 0 EHADMM Cc1noc(C(C)C)c1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000077893063 1027498492 /nfs/dbraw/zinc/49/84/92/1027498492.db2.gz IDTPIXGDMAEYSH-UHFFFAOYSA-N -1 1 328.397 3.877 20 0 EHADMM CCc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1F ZINC000502145936 1027840374 /nfs/dbraw/zinc/84/03/74/1027840374.db2.gz YTDMOOFISOFDBY-UHFFFAOYSA-N -1 1 337.354 3.595 20 0 EHADMM O=S(=O)(Cc1ncc(-c2cccc(Cl)c2)o1)c1ccc([O-])cc1 ZINC000050140419 1027909060 /nfs/dbraw/zinc/90/90/60/1027909060.db2.gz CWGUCOREGXKNMP-UHFFFAOYSA-N -1 1 349.795 3.675 20 0 EHADMM CCC(CC)c1cc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)on1 ZINC000132647407 1027948571 /nfs/dbraw/zinc/94/85/71/1027948571.db2.gz XRHUZUFOZOMIGU-UHFFFAOYSA-N -1 1 328.372 3.984 20 0 EHADMM CSC[C@@H]1CCCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)C1 ZINC000425273119 1028049897 /nfs/dbraw/zinc/04/98/97/1028049897.db2.gz XQVVCVGIBVBDMD-HZPDHXFCSA-N -1 1 342.512 3.651 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1C1CC1 ZINC000444751821 1028239685 /nfs/dbraw/zinc/23/96/85/1028239685.db2.gz GGTHUJYXQPEPAM-UHFFFAOYSA-N -1 1 349.390 3.921 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H](C)c3ccsc3)[nH][n-]2)c1 ZINC000444814175 1028317549 /nfs/dbraw/zinc/31/75/49/1028317549.db2.gz SDFOCKLGLJVSFO-NSHDSACASA-N -1 1 329.400 3.750 20 0 EHADMM CC(=O)[C@H](C)CCCCC(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444812917 1028318126 /nfs/dbraw/zinc/31/81/26/1028318126.db2.gz MVIPNQWXVFTGIT-CYBMUJFWSA-N -1 1 345.418 3.670 20 0 EHADMM CCOc1cc(-c2noc(-c3cnc(C)nc3C)n2)cc(Cl)c1[O-] ZINC000278011049 1028502836 /nfs/dbraw/zinc/50/28/36/1028502836.db2.gz VDNDLZQXWQUVFJ-UHFFFAOYSA-N -1 1 346.774 3.568 20 0 EHADMM Cc1ccc2cccc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c2n1 ZINC000343017809 1028657272 /nfs/dbraw/zinc/65/72/72/1028657272.db2.gz UVLJPWXHUYYELT-UHFFFAOYSA-N -1 1 344.374 3.891 20 0 EHADMM Cc1cccc(C)c1CCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000153790548 1028756844 /nfs/dbraw/zinc/75/68/44/1028756844.db2.gz WUSUKJSTHCARIO-UHFFFAOYSA-N -1 1 348.450 3.720 20 0 EHADMM Cc1nn(C)c(C)c1[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445442598 1028798400 /nfs/dbraw/zinc/79/84/00/1028798400.db2.gz DAWNYWJRKKRFEA-MRVPVSSYSA-N -1 1 332.791 3.598 20 0 EHADMM CC(=O)Nc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445443234 1028801301 /nfs/dbraw/zinc/80/13/01/1028801301.db2.gz FWMBUAFQSKONNM-UHFFFAOYSA-N -1 1 343.770 3.645 20 0 EHADMM C[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)C(=O)c1cccc(F)c1 ZINC000445454450 1028820758 /nfs/dbraw/zinc/82/07/58/1028820758.db2.gz FWCOEUVNIYGYCV-SNVBAGLBSA-N -1 1 344.317 3.782 20 0 EHADMM [O-]c1ccc(-c2noc(CCCOCc3ccccc3)n2)cc1F ZINC000445479876 1028837913 /nfs/dbraw/zinc/83/79/13/1028837913.db2.gz IKPFMRKXYGGNHU-UHFFFAOYSA-N -1 1 328.343 3.731 20 0 EHADMM COc1cc(C2(c3nc(-c4ccc([O-])c(F)c4)no3)CC2)ccc1C ZINC000445487061 1028849953 /nfs/dbraw/zinc/84/99/53/1028849953.db2.gz QRUWUZOUKFVHDF-UHFFFAOYSA-N -1 1 340.354 3.978 20 0 EHADMM CCc1ccc(-c2noc(CN3CCCC[C@H]3CCC(=O)[O-])n2)cc1 ZINC000424268197 1028922788 /nfs/dbraw/zinc/92/27/88/1028922788.db2.gz ZNHWFWYATMHPKJ-INIZCTEOSA-N -1 1 343.427 3.518 20 0 EHADMM C[C@H]1CCCN(Cc2cc(Br)ccc2Cl)[C@H]1C(=O)[O-] ZINC000424271454 1028943603 /nfs/dbraw/zinc/94/36/03/1028943603.db2.gz PBGUWMNFGCSZQX-TVQRCGJNSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@H]1CCCN(Cc2cc(Br)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000424271455 1028945416 /nfs/dbraw/zinc/94/54/16/1028945416.db2.gz PBGUWMNFGCSZQX-ZANVPECISA-N -1 1 346.652 3.788 20 0 EHADMM C[C@H]1CCCN(Cc2ccc(Cl)c(Br)c2)[C@H]1C(=O)[O-] ZINC000424417373 1029061439 /nfs/dbraw/zinc/06/14/39/1029061439.db2.gz LREXBIMJZVHIDD-TVQRCGJNSA-N -1 1 346.652 3.788 20 0 EHADMM COc1c(C)cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C ZINC000524964396 1029637916 /nfs/dbraw/zinc/63/79/16/1029637916.db2.gz FYQJBDAVNUKXKI-UHFFFAOYSA-N -1 1 345.342 3.530 20 0 EHADMM CCCCS[C@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000080325060 1029798509 /nfs/dbraw/zinc/79/85/09/1029798509.db2.gz PWEUFFACLNKCFE-CQSZACIVSA-N -1 1 349.496 3.735 20 0 EHADMM CC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058150204 1029926574 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ZINC000350585188 1127088757 /nfs/dbraw/zinc/08/87/57/1127088757.db2.gz ATWMUKMOZFPQJD-GFCCVEGCSA-N -1 1 347.371 3.865 20 0 EHADMM CCOc1cc(-c2noc([C@@H]3CCC[C@H](O)C3)n2)cc(Cl)c1[O-] ZINC000350611936 1127092462 /nfs/dbraw/zinc/09/24/62/1127092462.db2.gz PLNBRVGFBQOITF-KOLCDFICSA-N -1 1 338.791 3.513 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc(-c4cccnc4)s3)n2)cc1F ZINC000350842406 1127107141 /nfs/dbraw/zinc/10/71/41/1127107141.db2.gz YPSNYRFFMBLGAE-UHFFFAOYSA-N -1 1 340.339 3.767 20 0 EHADMM COc1ccc(Cl)cc1CN(C)CCOc1ccccc1C(=O)[O-] ZINC000183912021 1127389685 /nfs/dbraw/zinc/38/96/85/1127389685.db2.gz KYCIZOOPZWYWIZ-UHFFFAOYSA-N -1 1 349.814 3.558 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000029046478 1127793508 /nfs/dbraw/zinc/79/35/08/1127793508.db2.gz RSTADQVWJBANLC-UHFFFAOYSA-N -1 1 337.416 3.970 20 0 EHADMM O=S(=O)([N-]CCc1ccc2ccccc2c1)c1cc(F)ccc1F ZINC000030378897 1127819160 /nfs/dbraw/zinc/81/91/60/1127819160.db2.gz RFESAUARWXDHHZ-UHFFFAOYSA-N -1 1 347.386 3.639 20 0 EHADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000031306368 1127832618 /nfs/dbraw/zinc/83/26/18/1127832618.db2.gz MUNXFLKRRWSTAC-CYBMUJFWSA-N -1 1 348.402 3.995 20 0 EHADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(OC)c1OC ZINC001649104757 1128261492 /nfs/dbraw/zinc/26/14/92/1128261492.db2.gz TXFFIJAILWFRMC-ZDUSSCGKSA-N -1 1 349.814 3.944 20 0 EHADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000068447293 1128267442 /nfs/dbraw/zinc/26/74/42/1128267442.db2.gz WZWGYCFGSUMAQH-ZDUSSCGKSA-N -1 1 334.489 3.584 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cc4ccoc4c(Cl)c3)no2)[nH]n1 ZINC001212429164 1128578559 /nfs/dbraw/zinc/57/85/59/1128578559.db2.gz CHCQRVGUHSUSKY-UHFFFAOYSA-N -1 1 328.715 3.729 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cc4ccoc4c(Cl)c3)no2)n[n-]1 ZINC001212429164 1128578563 /nfs/dbraw/zinc/57/85/63/1128578563.db2.gz CHCQRVGUHSUSKY-UHFFFAOYSA-N -1 1 328.715 3.729 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cc4ccoc4c(Cl)c3)no2)[n-]n1 ZINC001212429164 1128578567 /nfs/dbraw/zinc/57/85/67/1128578567.db2.gz CHCQRVGUHSUSKY-UHFFFAOYSA-N -1 1 328.715 3.729 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007405638 1128864935 /nfs/dbraw/zinc/86/49/35/1128864935.db2.gz MBYQGEKYZKKZDR-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000263023586 1120313399 /nfs/dbraw/zinc/31/33/99/1120313399.db2.gz FOUJSVLRHIBMJO-MWLCHTKSSA-N -1 1 335.753 3.901 20 0 EHADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000110325076 1120333483 /nfs/dbraw/zinc/33/34/83/1120333483.db2.gz MVRJLVMXGGQNFK-GWCFXTLKSA-N -1 1 326.234 3.853 20 0 EHADMM O=S(=O)([N-]Cc1ccc(C(F)F)cc1)c1c(F)cccc1Cl ZINC000185918153 1120435304 /nfs/dbraw/zinc/43/53/04/1120435304.db2.gz VUNAWEUKBVZQDR-UHFFFAOYSA-N -1 1 349.761 3.895 20 0 EHADMM CCN(CCc1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000220094433 1120465267 /nfs/dbraw/zinc/46/52/67/1120465267.db2.gz IRZNMGWDILNTNQ-UHFFFAOYSA-N -1 1 348.240 3.860 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000187051754 1120484541 /nfs/dbraw/zinc/48/45/41/1120484541.db2.gz ZOWOSIANERLOGC-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000187526978 1120501825 /nfs/dbraw/zinc/50/18/25/1120501825.db2.gz VJSUNNLAFZBMIW-UHFFFAOYSA-N -1 1 329.421 3.569 20 0 EHADMM CCCNC(=O)c1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192199099 1120724197 /nfs/dbraw/zinc/72/41/97/1120724197.db2.gz YYYOYNCEIFNYJF-UHFFFAOYSA-N -1 1 347.802 3.829 20 0 EHADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc2ccccc2cc1[O-] ZINC000762681398 1121410491 /nfs/dbraw/zinc/41/04/91/1121410491.db2.gz TUFJOKWETBOVPI-PVAVHDDUSA-N -1 1 345.489 3.655 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000026547252 1121664236 /nfs/dbraw/zinc/66/42/36/1121664236.db2.gz NOOMGUQWOTYQTR-UHFFFAOYSA-N -1 1 345.342 3.653 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC[C@@H]1C ZINC000153761142 1121712674 /nfs/dbraw/zinc/71/26/74/1121712674.db2.gz URLLMWOHZBTLKS-STQMWFEESA-N -1 1 348.443 3.857 20 0 EHADMM C[C@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C[C@H]1C ZINC000153761344 1121713228 /nfs/dbraw/zinc/71/32/28/1121713228.db2.gz URLLMWOHZBTLKS-QWHCGFSZSA-N -1 1 348.443 3.857 20 0 EHADMM O=C(CC1CCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315107 1121813558 /nfs/dbraw/zinc/81/35/58/1121813558.db2.gz JRGRNHZFPJMHPU-UHFFFAOYSA-N -1 1 329.440 3.784 20 0 EHADMM CCCCOc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000055340530 1121816659 /nfs/dbraw/zinc/81/66/59/1121816659.db2.gz WTFOMPMHWPTVKB-UHFFFAOYSA-N -1 1 342.395 3.782 20 0 EHADMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000094068935 1122076177 /nfs/dbraw/zinc/07/61/77/1122076177.db2.gz XAXUVHWYLPVUAD-HNNXBMFYSA-N -1 1 345.826 3.902 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2C)c1 ZINC000496990829 1122238124 /nfs/dbraw/zinc/23/81/24/1122238124.db2.gz OPTSUQUZMNUCHK-UHFFFAOYSA-N -1 1 348.424 3.537 20 0 EHADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc(F)cc1 ZINC000064938367 1122343789 /nfs/dbraw/zinc/34/37/89/1122343789.db2.gz PCURKSPEDAXUEI-UHFFFAOYSA-N -1 1 335.400 3.553 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000497214909 1122378016 /nfs/dbraw/zinc/37/80/16/1122378016.db2.gz NBTCXWYBPKPKMK-UHFFFAOYSA-N -1 1 347.436 3.535 20 0 EHADMM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1cc(-c2cccs2)on1 ZINC000917127698 1122531790 /nfs/dbraw/zinc/53/17/90/1122531790.db2.gz PJQVJDLRRARABV-UHFFFAOYSA-N -1 1 343.393 3.502 20 0 EHADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000128203893 1122538606 /nfs/dbraw/zinc/53/86/06/1122538606.db2.gz BCEDXNHSBDLYBO-GFCCVEGCSA-N -1 1 326.234 3.805 20 0 EHADMM CC(=O)Nc1ccc(F)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000128293623 1122553227 /nfs/dbraw/zinc/55/32/27/1122553227.db2.gz GDCSKOOXZDDOCZ-UHFFFAOYSA-N -1 1 338.338 3.895 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000649067174 1122617266 /nfs/dbraw/zinc/61/72/66/1122617266.db2.gz QVDCOQUIZDCAQT-STQMWFEESA-N -1 1 349.500 3.501 20 0 EHADMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000556378977 1122954320 /nfs/dbraw/zinc/95/43/20/1122954320.db2.gz QTOWHLLFYQRNPX-QMMMGPOBSA-N -1 1 347.761 3.879 20 0 EHADMM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1cc2ccccc2o1 ZINC000134666500 1123540966 /nfs/dbraw/zinc/54/09/66/1123540966.db2.gz IYQVYMNFWQOETQ-HNNXBMFYSA-N -1 1 349.452 3.593 20 0 EHADMM CC1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000077612315 1123569444 /nfs/dbraw/zinc/56/94/44/1123569444.db2.gz SYCQHUDGKUKZPK-UHFFFAOYSA-N -1 1 334.416 3.611 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(C)CCC2)cc1 ZINC000175118580 1123598907 /nfs/dbraw/zinc/59/89/07/1123598907.db2.gz AZJHGMLQXGOSDQ-UHFFFAOYSA-N -1 1 344.484 3.613 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)s1 ZINC000135510849 1123624336 /nfs/dbraw/zinc/62/43/36/1123624336.db2.gz UMXFBSPIKYIGDU-UHFFFAOYSA-N -1 1 343.380 3.671 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2nc([C@@H](C)SCC)no2)n1 ZINC000136191049 1123675580 /nfs/dbraw/zinc/67/55/80/1123675580.db2.gz KMKRQLSSKVCQLQ-SECBINFHSA-N -1 1 340.474 3.624 20 0 EHADMM C/C=C(\C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000175578770 1123721924 /nfs/dbraw/zinc/72/19/24/1123721924.db2.gz TWSCAVXDPDUVFA-KGVSQERTSA-N -1 1 348.399 3.531 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1F ZINC000080311258 1123750925 /nfs/dbraw/zinc/75/09/25/1123750925.db2.gz GHJZWGJBZDJFPH-UHFFFAOYSA-N -1 1 346.383 3.954 20 0 EHADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000499650678 1129157050 /nfs/dbraw/zinc/15/70/50/1129157050.db2.gz UQCQDROVBJOOLK-HQJQHLMTSA-N -1 1 326.220 3.599 20 0 EHADMM CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000180892422 1124093347 /nfs/dbraw/zinc/09/33/47/1124093347.db2.gz BXQNXGAKGYMYCJ-UHFFFAOYSA-N -1 1 342.395 3.543 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC000617667207 1124716824 /nfs/dbraw/zinc/71/68/24/1124716824.db2.gz YGXGHPAMZFVJST-VXGBXAGGSA-N -1 1 333.476 3.590 20 0 EHADMM CCc1onc(C)c1[N-]C(=O)c1cc(OC)c(Br)s1 ZINC000089392282 1124810211 /nfs/dbraw/zinc/81/02/11/1124810211.db2.gz LKEQTOSHYMJHLF-UHFFFAOYSA-N -1 1 345.218 3.630 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCc3ccccc32)cc(Cl)c1[O-] ZINC000618376211 1125058940 /nfs/dbraw/zinc/05/89/40/1125058940.db2.gz HJPFJDLDIGKIQG-OAHLLOKOSA-N -1 1 331.799 3.862 20 0 EHADMM CCCCC[C@H](CC)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000181924128 1125087795 /nfs/dbraw/zinc/08/77/95/1125087795.db2.gz YTQUZLJENPCLHZ-LBPRGKRZSA-N -1 1 344.452 3.742 20 0 EHADMM CSCc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000066588294 1129189905 /nfs/dbraw/zinc/18/99/05/1129189905.db2.gz VJWGRAJXMIBJJT-UHFFFAOYSA-N -1 1 335.450 3.553 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)cc1 ZINC000115312552 1129257381 /nfs/dbraw/zinc/25/73/81/1129257381.db2.gz UDMJVGAPPVKYOL-UHFFFAOYSA-N -1 1 339.420 3.561 20 0 EHADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc2cc(F)ccc2o1 ZINC000117618375 1129455226 /nfs/dbraw/zinc/45/52/26/1129455226.db2.gz HANNRPZIVMRSOF-UHFFFAOYSA-N -1 1 340.339 3.738 20 0 EHADMM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc2ccccc2cc1[O-] ZINC000069176980 1129461377 /nfs/dbraw/zinc/46/13/77/1129461377.db2.gz ACUUDHYVKMQECG-UHFFFAOYSA-N -1 1 349.386 3.589 20 0 EHADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1cc2ccccc2cc1[O-] ZINC000625037345 1129712671 /nfs/dbraw/zinc/71/26/71/1129712671.db2.gz OFDSVJHDIZDZMZ-KRWDZBQOSA-N -1 1 349.386 3.808 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000429106933 1129774614 /nfs/dbraw/zinc/77/46/14/1129774614.db2.gz NSHUNQGXLDCVEA-CABCVRRESA-N -1 1 345.374 3.548 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)cc1 ZINC000350514776 1129903525 /nfs/dbraw/zinc/90/35/25/1129903525.db2.gz NULYAEQWCIBJFU-UHFFFAOYSA-N -1 1 339.413 3.551 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1CC ZINC000486095061 1130440344 /nfs/dbraw/zinc/44/03/44/1130440344.db2.gz WNULPSNMXAZLIN-UHFFFAOYSA-N -1 1 337.416 3.760 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000732285412 1130910109 /nfs/dbraw/zinc/91/01/09/1130910109.db2.gz FFXQPAGPEPDXKF-HNNXBMFYSA-N -1 1 336.313 3.783 20 0 EHADMM CCc1cc2c(COC(=O)/C=C/C(C)(C)C)cc(=O)oc2cc1[O-] ZINC000732404577 1130924229 /nfs/dbraw/zinc/92/42/29/1130924229.db2.gz LUOVJTGVRNZKBQ-VOTSOKGWSA-N -1 1 330.380 3.707 20 0 EHADMM CC(C)(C)SCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000282605212 1131119008 /nfs/dbraw/zinc/11/90/08/1131119008.db2.gz GOSRWQMQXULINK-UHFFFAOYSA-N -1 1 328.503 3.688 20 0 EHADMM C[C@H](CC1CCCC1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000734053551 1131190599 /nfs/dbraw/zinc/19/05/99/1131190599.db2.gz MHVUUYUZGOYJGB-GFCCVEGCSA-N -1 1 330.380 3.758 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](COCc2ccccc2)C1 ZINC000743719354 1131969302 /nfs/dbraw/zinc/96/93/02/1131969302.db2.gz ZCGRTGHUMHMVGK-HNNXBMFYSA-N -1 1 345.826 3.725 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2ccc(C(F)(F)F)cc2F)no1 ZINC001212721259 1132056159 /nfs/dbraw/zinc/05/61/59/1132056159.db2.gz GUXDNGWSNIFPMO-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM Cc1cc(COC(=O)c2c([O-])cc(F)cc2F)c2ccccc2n1 ZINC000744880247 1132164185 /nfs/dbraw/zinc/16/41/85/1132164185.db2.gz MIMYEYDRBOSESB-UHFFFAOYSA-N -1 1 329.302 3.884 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(c3ccccc3C)CC2)c1 ZINC000744932816 1132166930 /nfs/dbraw/zinc/16/69/30/1132166930.db2.gz MVRAIVSHUOSRCN-UHFFFAOYSA-N -1 1 338.403 3.721 20 0 EHADMM O=C(c1ccc(Nc2ccnc(Cl)c2[O-])cc1)N1CCCCC1 ZINC001174073379 1132234927 /nfs/dbraw/zinc/23/49/27/1132234927.db2.gz SHQIWYHHSKJJGI-UHFFFAOYSA-N -1 1 331.803 3.810 20 0 EHADMM CC(C)S(=O)(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174269743 1132306485 /nfs/dbraw/zinc/30/64/85/1132306485.db2.gz AXJGPFWWFCUILF-UHFFFAOYSA-N -1 1 327.352 3.596 20 0 EHADMM CSc1cc(O)ccc1[N-]C(=O)c1ncc(Br)s1 ZINC000192565404 1132474623 /nfs/dbraw/zinc/47/46/23/1132474623.db2.gz OBQYONNNHUHXHJ-UHFFFAOYSA-N -1 1 345.243 3.585 20 0 EHADMM CCOc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(F)c1F ZINC001175153245 1132568662 /nfs/dbraw/zinc/56/86/62/1132568662.db2.gz UUYQPHJHFNCYKR-UHFFFAOYSA-N -1 1 333.290 3.919 20 0 EHADMM [O-]c1cc(Nc2cccc(CN3CCOCC3)c2)c(F)cc1Cl ZINC001175859261 1132785779 /nfs/dbraw/zinc/78/57/79/1132785779.db2.gz CSUBQEAIEBXJEE-UHFFFAOYSA-N -1 1 336.794 3.761 20 0 EHADMM CN(C)C(=O)c1ccc(F)c(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001176047436 1132835344 /nfs/dbraw/zinc/83/53/44/1132835344.db2.gz LYBCMFVLUYHSGA-UHFFFAOYSA-N -1 1 326.730 3.769 20 0 EHADMM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc([O-])cc3F)o2)cc1 ZINC000773567489 1132907055 /nfs/dbraw/zinc/90/70/55/1132907055.db2.gz WGTSPVCUZVBVIJ-NSHDSACASA-N -1 1 342.326 3.808 20 0 EHADMM CCN(CC)C(=O)c1cc(Nc2ccnc(Cl)c2[O-])ccc1F ZINC001176515263 1132954053 /nfs/dbraw/zinc/95/40/53/1132954053.db2.gz MHLFNANBJLQELH-UHFFFAOYSA-N -1 1 337.782 3.805 20 0 EHADMM O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc([O-])c(F)c1 ZINC000767290288 1132978147 /nfs/dbraw/zinc/97/81/47/1132978147.db2.gz IAOVVZFWKLJHJN-UHFFFAOYSA-N -1 1 348.761 3.564 20 0 EHADMM CC(C)S(=O)(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176669096 1132979036 /nfs/dbraw/zinc/97/90/36/1132979036.db2.gz DHVXVCUDCXREIO-UHFFFAOYSA-N -1 1 345.342 3.735 20 0 EHADMM O=C(c1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1)N1CCCCC1 ZINC001176681505 1132982117 /nfs/dbraw/zinc/98/21/17/1132982117.db2.gz ATKRUHJCIIDAOP-UHFFFAOYSA-N -1 1 349.793 3.949 20 0 EHADMM Cc1ccc(C2(C(=O)Nc3cccc(C(F)(F)F)c3[O-])CC2)nc1 ZINC001178146104 1133136690 /nfs/dbraw/zinc/13/66/90/1133136690.db2.gz PKGWVRSGYWSGFI-UHFFFAOYSA-N -1 1 336.313 3.785 20 0 EHADMM O=C(C=Cc1cc2ccccc2o1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001178760669 1133197531 /nfs/dbraw/zinc/19/75/31/1133197531.db2.gz QYJHVIZPKHEYCV-MDZDMXLPSA-N -1 1 345.358 3.976 20 0 EHADMM [O-]c1cc(Nc2ncc(F)cc2Br)c(F)c(F)c1F ZINC001249957472 1133331503 /nfs/dbraw/zinc/33/15/03/1133331503.db2.gz GDCCAOSJBIDKSK-UHFFFAOYSA-N -1 1 337.070 3.850 20 0 EHADMM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1c([O-])cccc1Cl ZINC000769713448 1133333456 /nfs/dbraw/zinc/33/34/56/1133333456.db2.gz 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O=C(c1ccc([O-])cc1F)N1CCC(n2ccc3ccccc32)CC1 ZINC001186327545 1134196162 /nfs/dbraw/zinc/19/61/62/1134196162.db2.gz QAGZTNQVQFVGOU-UHFFFAOYSA-N -1 1 338.382 3.963 20 0 EHADMM Cc1cc(F)nc([N-]S(=O)(=O)CCc2cccc3ccccc32)c1 ZINC001187624972 1134358802 /nfs/dbraw/zinc/35/88/02/1134358802.db2.gz SIETXJHYUYMEEA-UHFFFAOYSA-N -1 1 344.411 3.667 20 0 EHADMM CC(C)c1cc(C(=O)Nc2nc(Cl)ccc2[O-])nn1C(C)(C)C ZINC000790047759 1134364197 /nfs/dbraw/zinc/36/41/97/1134364197.db2.gz ONRRWYLQTZYDOM-UHFFFAOYSA-N -1 1 336.823 3.768 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(Cl)nc2ccccc21 ZINC000790047269 1134364747 /nfs/dbraw/zinc/36/47/47/1134364747.db2.gz IQFNAQGDDQHDRB-UHFFFAOYSA-N -1 1 334.162 3.895 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc([C@H]2CCCOC2)c1 ZINC000790048312 1134365748 /nfs/dbraw/zinc/36/57/48/1134365748.db2.gz SEGNBGWJRFBWAF-ZDUSSCGKSA-N -1 1 332.787 3.587 20 0 EHADMM COc1ccc2nc(C)c(C(=O)Nc3nc(Cl)ccc3[O-])cc2c1 ZINC000790057558 1134366563 /nfs/dbraw/zinc/36/65/63/1134366563.db2.gz 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CC(C)c1cccnc1NC(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190261382 1134674375 /nfs/dbraw/zinc/67/43/75/1134674375.db2.gz UWMUUAPFJDQAQF-UHFFFAOYSA-N -1 1 334.379 3.620 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nccnc2Cl)cc1 ZINC001190423405 1134698310 /nfs/dbraw/zinc/69/83/10/1134698310.db2.gz VVKXLAYWVQYMTB-UHFFFAOYSA-N -1 1 339.848 3.618 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccnc(OC)c2)cc1 ZINC001190424254 1134698434 /nfs/dbraw/zinc/69/84/34/1134698434.db2.gz WVDPZECXPQXNNJ-UHFFFAOYSA-N -1 1 334.441 3.579 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1 ZINC001191249350 1134837079 /nfs/dbraw/zinc/83/70/79/1134837079.db2.gz RHEOFWWXCNJNFI-UHFFFAOYSA-N -1 1 332.469 3.896 20 0 EHADMM CSc1ncc(C(=O)N(C(C)C)[C@@H](C)c2ccccc2)c(=O)[n-]1 ZINC001191429971 1134865915 /nfs/dbraw/zinc/86/59/15/1134865915.db2.gz BLVXDYLVQQITFP-LBPRGKRZSA-N -1 1 331.441 3.516 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cn(-c2ccccc2)cn1 ZINC001191595058 1134893416 /nfs/dbraw/zinc/89/34/16/1134893416.db2.gz 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Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3N)cc2)cs1 ZINC001193924108 1135205062 /nfs/dbraw/zinc/20/50/62/1135205062.db2.gz JEAPIPOVVYGYPA-UHFFFAOYSA-N -1 1 345.449 3.502 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)nc2)c(C)c1C ZINC001194836919 1135328231 /nfs/dbraw/zinc/32/82/31/1135328231.db2.gz HUYJCDSRGBHTRB-UHFFFAOYSA-N -1 1 348.468 3.940 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC001195481888 1135431025 /nfs/dbraw/zinc/43/10/25/1135431025.db2.gz AEYURVLJPHRSMP-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1c(C)cc(C)cc1Br ZINC001195486921 1135432273 /nfs/dbraw/zinc/43/22/73/1135432273.db2.gz NAKCBTWUOAHNRF-UHFFFAOYSA-N -1 1 331.235 3.509 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2ccc(OC)cc2)cc1 ZINC001195491122 1135432682 /nfs/dbraw/zinc/43/26/82/1135432682.db2.gz RLMNNPLAQMFAMO-UHFFFAOYSA-N -1 1 330.409 3.805 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)c(C(F)(F)F)c1 ZINC001195808514 1135473202 /nfs/dbraw/zinc/47/32/02/1135473202.db2.gz 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/nfs/dbraw/zinc/74/86/59/1135748659.db2.gz BDOJFAFYHHRKSW-UHFFFAOYSA-N -1 1 341.230 3.987 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)C)cc2)cn1 ZINC001198320819 1135800202 /nfs/dbraw/zinc/80/02/02/1135800202.db2.gz CUIVVGUUTILDLN-UHFFFAOYSA-N -1 1 334.441 3.616 20 0 EHADMM Cc1cccc(NC(=S)Nc2ncc(Br)cc2[O-])c1 ZINC001198653321 1135842453 /nfs/dbraw/zinc/84/24/53/1135842453.db2.gz BYYODELRFCAKJT-UHFFFAOYSA-N -1 1 338.230 3.667 20 0 EHADMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC001198707320 1135851612 /nfs/dbraw/zinc/85/16/12/1135851612.db2.gz UQRAEBGMWYGBPK-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM O=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc4occc4c3)cc2s1 ZINC001198861075 1135862313 /nfs/dbraw/zinc/86/23/13/1135862313.db2.gz GKWFTISOAQUBFV-UHFFFAOYSA-N -1 1 346.389 3.549 20 0 EHADMM CCn1ncc2cc([N-]S(=O)(=O)c3ccc4occc4c3)ccc21 ZINC001198867805 1135864620 /nfs/dbraw/zinc/86/46/20/1135864620.db2.gz AWCOFMGFTUGTDJ-UHFFFAOYSA-N -1 1 341.392 3.603 20 0 EHADMM [O-]c1ccc(Br)nc1NC(=S)NC1CCCCCC1 ZINC001199959422 1135940506 /nfs/dbraw/zinc/94/05/06/1135940506.db2.gz LLDCZAVCFLEZGW-UHFFFAOYSA-N -1 1 344.278 3.559 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)cccc1N(C)C ZINC000776090784 1135952587 /nfs/dbraw/zinc/95/25/87/1135952587.db2.gz AWPLBYDWZANDDQ-UHFFFAOYSA-N -1 1 332.469 3.985 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cnc1F ZINC001201792892 1136062940 /nfs/dbraw/zinc/06/29/40/1136062940.db2.gz VMKDNVSZWVABHB-UHFFFAOYSA-N -1 1 336.432 3.872 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1[C@H](O)c1ccccc1 ZINC001170634329 1136079563 /nfs/dbraw/zinc/07/95/63/1136079563.db2.gz CIPWCGBYDAAJFZ-PZJWPPBQSA-N -1 1 347.414 3.884 20 0 EHADMM C[C@H](C(=O)[N-]OC/C=C\Cl)c1cccc(C(=O)c2ccccc2)c1 ZINC000812408035 1136209199 /nfs/dbraw/zinc/20/91/99/1136209199.db2.gz MBEJKYSFCGTGNG-KGBIHWOQSA-N -1 1 343.810 3.821 20 0 EHADMM CSc1ccccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007431620 1136260346 /nfs/dbraw/zinc/26/03/46/1136260346.db2.gz VOIDOPZDLBPFAQ-UHFFFAOYSA-N -1 1 342.372 3.578 20 0 EHADMM CCc1cc2c(COC(=O)c3cccc(F)c3)cc(=O)oc2cc1[O-] ZINC000007514074 1136295540 /nfs/dbraw/zinc/29/55/40/1136295540.db2.gz XUWCEVFNRMCXLD-UHFFFAOYSA-N -1 1 342.322 3.557 20 0 EHADMM O=C(NC1CCCCC1)c1c([O-])cnc2c(Br)cccc21 ZINC001135492444 1136695825 /nfs/dbraw/zinc/69/58/25/1136695825.db2.gz GFTGWYFCGIQSSB-UHFFFAOYSA-N -1 1 349.228 3.765 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)sc1Cl ZINC000856752251 1136806853 /nfs/dbraw/zinc/80/68/53/1136806853.db2.gz PERBTVRYKUHSEB-SSDOTTSWSA-N -1 1 348.704 3.572 20 0 EHADMM CCC(F)(F)C(=O)[N-]CC(F)(F)c1ccc(Br)cc1 ZINC000857351167 1136864629 /nfs/dbraw/zinc/86/46/29/1136864629.db2.gz QKWFMHOYWWXNGF-UHFFFAOYSA-N -1 1 342.130 3.702 20 0 EHADMM O=C([N-]Cc1nccs1)C(F)(F)c1cccc(Cl)c1Cl ZINC000857437706 1136870295 /nfs/dbraw/zinc/87/02/95/1136870295.db2.gz CWQSNWKINHFLDQ-UHFFFAOYSA-N -1 1 337.178 3.858 20 0 EHADMM CCN(CC)[C@@H](C(=O)[N-]OC(C)C)c1cccc(C(F)(F)F)c1 ZINC000857523133 1136879906 /nfs/dbraw/zinc/87/99/06/1136879906.db2.gz YFNVROWEUXFFAX-CQSZACIVSA-N -1 1 332.366 3.545 20 0 EHADMM CCN(CC)[C@H](C(=O)[N-]OC(C)C)c1cccc(C(F)(F)F)c1 ZINC000857523132 1136880149 /nfs/dbraw/zinc/88/01/49/1136880149.db2.gz YFNVROWEUXFFAX-AWEZNQCLSA-N -1 1 332.366 3.545 20 0 EHADMM CCCCN(C(=O)c1ccc2n[n-]c(=S)n2c1)C1CCCCC1 ZINC000819350086 1136933349 /nfs/dbraw/zinc/93/33/49/1136933349.db2.gz ZXRVWVSHSUNZLZ-UHFFFAOYSA-N -1 1 332.473 3.593 20 0 EHADMM COc1ccc2c(=O)[n-]n(C(=O)C[C@@H](C)c3cccc(OC)c3)c2c1 ZINC000819954809 1136969451 /nfs/dbraw/zinc/96/94/51/1136969451.db2.gz FNEZHNVQWIEEOP-GFCCVEGCSA-N -1 1 340.379 3.593 20 0 EHADMM CCOc1cc(C(=O)N(CC(F)(F)F)C2CC2)cc(Cl)c1[O-] ZINC000819990167 1136971592 /nfs/dbraw/zinc/97/15/92/1136971592.db2.gz PICBSFBZRKNAQC-UHFFFAOYSA-N -1 1 337.725 3.611 20 0 EHADMM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(F)ccc1[O-] ZINC001136369099 1137002876 /nfs/dbraw/zinc/00/28/76/1137002876.db2.gz XSPFBRSFHUPLCP-UHFFFAOYSA-N -1 1 348.280 3.933 20 0 EHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2onc(Cl)c2c1 ZINC000821116038 1137017578 /nfs/dbraw/zinc/01/75/78/1137017578.db2.gz HDSZJGKXLRIGMY-UHFFFAOYSA-N -1 1 343.191 3.935 20 0 EHADMM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2ccc(F)c([O-])c2)c1C ZINC001136440535 1137023477 /nfs/dbraw/zinc/02/34/77/1137023477.db2.gz SOPYXVWWPMYUMG-UHFFFAOYSA-N -1 1 326.371 3.868 20 0 EHADMM S=c1nc(-c2ccccn2)[n-]n1CN1CCC[C@H]1c1cccs1 ZINC000117318973 1137050307 /nfs/dbraw/zinc/05/03/07/1137050307.db2.gz TZMAIKJAMMRVTL-ZDUSSCGKSA-N -1 1 343.481 3.859 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC2CCC(F)(F)CC2)c1 ZINC000860334202 1137056127 /nfs/dbraw/zinc/05/61/27/1137056127.db2.gz LUOVLWSZEIRYHA-UHFFFAOYSA-N -1 1 340.366 3.896 20 0 EHADMM CC[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000863415381 1137185547 /nfs/dbraw/zinc/18/55/47/1137185547.db2.gz DJLBHAXAHRDCFA-LBPRGKRZSA-N -1 1 345.420 3.671 20 0 EHADMM O=C(C[C@H]1CCCOC1)Nc1c([O-])cc(Br)cc1Cl ZINC000843886242 1137186570 /nfs/dbraw/zinc/18/65/70/1137186570.db2.gz NUMKXQHWMZJCMW-MRVPVSSYSA-N -1 1 348.624 3.563 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000844031717 1137193730 /nfs/dbraw/zinc/19/37/30/1137193730.db2.gz GHSDDCFBQIUKJM-CABCVRRESA-N -1 1 345.487 3.902 20 0 EHADMM Cc1sc(C)c2c1[n-]c(-c1cccc(N3CCCC3=O)c1)nc2=O ZINC000864356301 1137223562 /nfs/dbraw/zinc/22/35/62/1137223562.db2.gz UGCPGBPSCJVEPZ-UHFFFAOYSA-N -1 1 339.420 3.808 20 0 EHADMM [O-]c1cc(F)c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c(F)c1 ZINC001144553368 1137308646 /nfs/dbraw/zinc/30/86/46/1137308646.db2.gz AWLYQOPVZOPRGT-WTANOLMUSA-N -1 1 337.410 3.698 20 0 EHADMM C[C@]1(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@@]1(F)Cl ZINC000846397986 1137349572 /nfs/dbraw/zinc/34/95/72/1137349572.db2.gz DPOBLSWZHMHFPG-STQMWFEESA-N -1 1 339.716 3.846 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@H]1CC2CCC1CC2 ZINC000846621819 1137359423 /nfs/dbraw/zinc/35/94/23/1137359423.db2.gz OHLAULSVDAJZBM-GALLPEHLSA-N -1 1 331.460 3.559 20 0 EHADMM Cc1cc(Br)c(C(=O)Nc2c([O-])cccc2F)s1 ZINC001146491906 1137391330 /nfs/dbraw/zinc/39/13/30/1137391330.db2.gz GCQCQUCHVJKXSV-UHFFFAOYSA-N -1 1 330.178 3.916 20 0 EHADMM COc1ccc([C@@H](C)CCNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001146652357 1137392421 /nfs/dbraw/zinc/39/24/21/1137392421.db2.gz HGTZVITUVWLHSF-LBPRGKRZSA-N -1 1 333.815 3.978 20 0 EHADMM CCN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000868473382 1137410815 /nfs/dbraw/zinc/41/08/15/1137410815.db2.gz UWZUQZHDGKOECD-BFUOFWGJSA-N -1 1 347.842 3.559 20 0 EHADMM O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2ccc(O)cc2c1[O-] ZINC001148627442 1137430138 /nfs/dbraw/zinc/43/01/38/1137430138.db2.gz UHUCYGLYDMYQEL-UHFFFAOYSA-N -1 1 345.358 3.689 20 0 EHADMM O=C(Nc1cc(OCC2CC2)n[nH]1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861626 1137436562 /nfs/dbraw/zinc/43/65/62/1137436562.db2.gz SOURPLDDHOHCQS-UHFFFAOYSA-N -1 1 349.390 3.823 20 0 EHADMM CC(C)[C@@H]1COCCN1C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148866477 1137436682 /nfs/dbraw/zinc/43/66/82/1137436682.db2.gz IVEJVILQRKNXHP-SFHVURJKSA-N -1 1 325.408 3.556 20 0 EHADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001149020081 1137439268 /nfs/dbraw/zinc/43/92/68/1137439268.db2.gz SHAXISRLKTVLDK-CZUORRHYSA-N -1 1 329.827 3.993 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000869459133 1137452597 /nfs/dbraw/zinc/45/25/97/1137452597.db2.gz OUHAQTCPGZCVIJ-YESZJQIVSA-N -1 1 341.838 3.850 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001171637967 1137504706 /nfs/dbraw/zinc/50/47/06/1137504706.db2.gz QTMOFPMVAANKJN-UHFFFAOYSA-N -1 1 343.745 3.894 20 0 EHADMM CCOc1cc(C(=O)NC(C)(C)[C@H]2CCCCO2)cc(Cl)c1[O-] ZINC000871162519 1137524949 /nfs/dbraw/zinc/52/49/49/1137524949.db2.gz FJGFPBOZEVIUMD-CQSZACIVSA-N -1 1 341.835 3.522 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(C/C=C/c1ccc(F)cc1)CC2 ZINC000871620406 1137549642 /nfs/dbraw/zinc/54/96/42/1137549642.db2.gz APPRIPSBJCDUFN-NSCUHMNNSA-N -1 1 341.382 3.604 20 0 EHADMM CCCN(CCC)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000021221043 1137637920 /nfs/dbraw/zinc/63/79/20/1137637920.db2.gz ZBWSAOKGLJBGIF-UHFFFAOYSA-N -1 1 346.500 3.955 20 0 EHADMM Cc1cnc(C(C)(C)NC(=O)NCc2ccc([O-])c(Cl)c2)s1 ZINC000876394000 1137650673 /nfs/dbraw/zinc/65/06/73/1137650673.db2.gz PEPDLKCJKPWXMB-UHFFFAOYSA-N -1 1 339.848 3.545 20 0 EHADMM CN(CCCc1ccccc1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394751 1137650741 /nfs/dbraw/zinc/65/07/41/1137650741.db2.gz OLSSKIIMNBGVFA-UHFFFAOYSA-N -1 1 332.831 3.820 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000881459546 1137807870 /nfs/dbraw/zinc/80/78/70/1137807870.db2.gz BYQFRAWKXCLSMO-PPUGGXLSSA-N -1 1 333.790 3.732 20 0 EHADMM Cc1c(C)c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nnc1Cl ZINC000882126342 1137821713 /nfs/dbraw/zinc/82/17/13/1137821713.db2.gz ZZMMXZLATDLRNV-UHFFFAOYSA-N -1 1 345.830 3.552 20 0 EHADMM O=S(=O)([N-][C@@H]1c2ccccc2CC[C@@H]1F)c1ccc(C(F)F)o1 ZINC000882808150 1137834824 /nfs/dbraw/zinc/83/48/24/1137834824.db2.gz LNNYJJRGFZLHAN-SMDDNHRTSA-N -1 1 345.342 3.521 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc3nc(C)ccc32)c1 ZINC001212796825 1137872566 /nfs/dbraw/zinc/87/25/66/1137872566.db2.gz GCFNPNMMHOFEOQ-UHFFFAOYSA-N -1 1 342.420 3.786 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1F)[N-]c1cccc(C(F)(F)F)n1 ZINC000800034649 1137895178 /nfs/dbraw/zinc/89/51/78/1137895178.db2.gz XQGCTMLICWBRHL-HJWRWDBZSA-N -1 1 346.305 3.652 20 0 EHADMM CC(C)CCc1cc([N-]S(=O)(=O)C=Cc2ccccc2F)n[nH]1 ZINC000800046043 1137895594 /nfs/dbraw/zinc/89/55/94/1137895594.db2.gz IVWXGSXMPBIPJY-MDZDMXLPSA-N -1 1 337.420 3.550 20 0 EHADMM [O-]c1ccc(CNc2cc(Cl)nc([C@H]3CCCO3)n2)cc1Cl ZINC000884579950 1137963666 /nfs/dbraw/zinc/96/36/66/1137963666.db2.gz NKOBNWGHASPYMI-GFCCVEGCSA-N -1 1 340.210 3.953 20 0 EHADMM O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc2ccccc2cc1[O-] ZINC001649170498 1138019998 /nfs/dbraw/zinc/01/99/98/1138019998.db2.gz IHDFUPFDBVYSOO-CQSZACIVSA-N -1 1 341.392 3.501 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](C2CCOCC2)C1 ZINC000886144150 1138052204 /nfs/dbraw/zinc/05/22/04/1138052204.db2.gz RSKDAECCAHIJDR-KRWDZBQOSA-N -1 1 339.435 3.824 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCC[C@@H]2C)c1 ZINC000061046150 1138067525 /nfs/dbraw/zinc/06/75/25/1138067525.db2.gz YSPUATYZOUPQJZ-AWEZNQCLSA-N -1 1 344.484 3.707 20 0 EHADMM CCSCc1cccnc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000886444833 1138078626 /nfs/dbraw/zinc/07/86/26/1138078626.db2.gz LOTUIAVMDDUKRP-UHFFFAOYSA-N -1 1 336.482 3.585 20 0 EHADMM CCCC(=CC(=O)N1CCC(c2n[n-]c(=S)n2C)CC1)CCC ZINC000092414530 1138227697 /nfs/dbraw/zinc/22/76/97/1138227697.db2.gz HVTDEXVDJQMWLO-UHFFFAOYSA-N -1 1 336.505 3.710 20 0 EHADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000096659373 1138267999 /nfs/dbraw/zinc/26/79/99/1138267999.db2.gz HIPCVAHUBLFOKC-UHFFFAOYSA-N -1 1 333.409 3.648 20 0 EHADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)ccc1C ZINC000134443357 1138689248 /nfs/dbraw/zinc/68/92/48/1138689248.db2.gz NRNTZWAVXGQFCL-UHFFFAOYSA-N -1 1 346.452 3.878 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnccc1Nc1ccccc1 ZINC001295291770 1138808968 /nfs/dbraw/zinc/80/89/68/1138808968.db2.gz AECQGMSIGZUXNY-UHFFFAOYSA-N -1 1 339.782 3.858 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1cccc(C(F)(F)F)c1C ZINC001137257631 1139266919 /nfs/dbraw/zinc/26/69/19/1139266919.db2.gz NRWOQQBYIHTMIA-UHFFFAOYSA-N -1 1 325.286 3.980 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](Cc2nccs2)C1 ZINC000890227597 1139327464 /nfs/dbraw/zinc/32/74/64/1139327464.db2.gz NKVCAWMDXYKBCG-CYBMUJFWSA-N -1 1 338.432 3.707 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1cccnc1)C1CC1 ZINC000180360218 1139828055 /nfs/dbraw/zinc/82/80/55/1139828055.db2.gz LBKBGTMSZLHDNC-UHFFFAOYSA-N -1 1 336.313 3.611 20 0 EHADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3c([O-])cccc3F)[nH]c2c1 ZINC000184306147 1140094253 /nfs/dbraw/zinc/09/42/53/1140094253.db2.gz WFIFICJVNOBWKH-HNNXBMFYSA-N -1 1 339.370 3.693 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@H](C)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000186865617 1140225969 /nfs/dbraw/zinc/22/59/69/1140225969.db2.gz CAFBMQYIGYEQSP-LLVKDONJSA-N -1 1 349.814 3.983 20 0 EHADMM CC[C@H](C)n1ncc(C(=O)Nc2nc(Cl)ccc2[O-])c1C1CC1 ZINC000188379527 1140294413 /nfs/dbraw/zinc/29/44/13/1140294413.db2.gz MLQDGUPOKMIVGU-VIFPVBQESA-N -1 1 334.807 3.738 20 0 EHADMM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000191189901 1140443203 /nfs/dbraw/zinc/44/32/03/1140443203.db2.gz ADCHFUXLXUPGII-OCCSQVGLSA-N -1 1 347.798 3.805 20 0 EHADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192328659 1140523382 /nfs/dbraw/zinc/52/33/82/1140523382.db2.gz OIJRIZQXGGFQON-VHSXEESVSA-N -1 1 342.823 3.533 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(-n2cccc2)cc1 ZINC000339137643 1141506958 /nfs/dbraw/zinc/50/69/58/1141506958.db2.gz SVSHWGRWQKJMTG-UHFFFAOYSA-N -1 1 344.374 3.825 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1cc(Br)cs1 ZINC000103927691 219329108 /nfs/dbraw/zinc/32/91/08/219329108.db2.gz IKHFWWPKXWTEKL-UHFFFAOYSA-N -1 1 346.271 3.902 20 0 EHADMM O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021297629 212219188 /nfs/dbraw/zinc/21/91/88/212219188.db2.gz UVAGQTHTLGCCNG-UHFFFAOYSA-N -1 1 337.400 3.718 20 0 EHADMM Cc1c2ccccc2oc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737213124 599058538 /nfs/dbraw/zinc/05/85/38/599058538.db2.gz WXYCPVWACWMELA-UHFFFAOYSA-N -1 1 340.774 3.582 20 0 EHADMM Cc1c2ccccc2oc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737213124 599058541 /nfs/dbraw/zinc/05/85/41/599058541.db2.gz WXYCPVWACWMELA-UHFFFAOYSA-N -1 1 340.774 3.582 20 0 EHADMM O=C([O-])C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000262627769 596918993 /nfs/dbraw/zinc/91/89/93/596918993.db2.gz GKULVYVYPWJXOS-UHFFFAOYSA-N -1 1 336.844 3.760 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000320309688 597078644 /nfs/dbraw/zinc/07/86/44/597078644.db2.gz CPDXDOBACAGVGS-GFCCVEGCSA-N -1 1 334.803 3.682 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(Cl)c1 ZINC000736136235 598273676 /nfs/dbraw/zinc/27/36/76/598273676.db2.gz FPIQCFXVGDBISX-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC000736136235 598273677 /nfs/dbraw/zinc/27/36/77/598273677.db2.gz FPIQCFXVGDBISX-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c(C)c1 ZINC000737322546 598576154 /nfs/dbraw/zinc/57/61/54/598576154.db2.gz ZHCGPMPLNWFLHP-LLVKDONJSA-N -1 1 328.807 3.705 20 0 EHADMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c(C)c1 ZINC000737322546 598576155 /nfs/dbraw/zinc/57/61/55/598576155.db2.gz ZHCGPMPLNWFLHP-LLVKDONJSA-N -1 1 328.807 3.705 20 0 EHADMM CCC[C@@H]1CCCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736437619 598613185 /nfs/dbraw/zinc/61/31/85/598613185.db2.gz VWXZSAOBIFKCKY-BDAKNGLRSA-N -1 1 326.857 3.747 20 0 EHADMM CCC[C@@H]1CCCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736437619 598613186 /nfs/dbraw/zinc/61/31/86/598613186.db2.gz VWXZSAOBIFKCKY-BDAKNGLRSA-N -1 1 326.857 3.747 20 0 EHADMM Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822275396 599493370 /nfs/dbraw/zinc/49/33/70/599493370.db2.gz SXGKGEZVSDHAAL-QGZVFWFLSA-N -1 1 342.406 3.823 20 0 EHADMM Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822275396 599493371 /nfs/dbraw/zinc/49/33/71/599493371.db2.gz SXGKGEZVSDHAAL-QGZVFWFLSA-N -1 1 342.406 3.823 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000650506250 599754385 /nfs/dbraw/zinc/75/43/85/599754385.db2.gz FEXIOEGMKVQANX-HNNXBMFYSA-N -1 1 334.416 3.778 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(F)cc1Br)c1ccccc1 ZINC000050510662 599759416 /nfs/dbraw/zinc/75/94/16/599759416.db2.gz IGSZXBLURHONGW-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000737085244 599808109 /nfs/dbraw/zinc/80/81/09/599808109.db2.gz IQBMCTWASRDZFL-QGZVFWFLSA-N -1 1 341.411 3.798 20 0 EHADMM O=C([O-])c1ccc(CNCc2c(Cl)ccc3cccnc32)cc1 ZINC000740132034 599842560 /nfs/dbraw/zinc/84/25/60/599842560.db2.gz AWVQMBVUWMISAI-UHFFFAOYSA-N -1 1 326.783 3.876 20 0 EHADMM CC(C)(NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000736339478 600100476 /nfs/dbraw/zinc/10/04/76/600100476.db2.gz LNZHIQRZIYRPFW-UHFFFAOYSA-N -1 1 346.814 3.502 20 0 EHADMM CC(C)(C)c1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)[nH]1 ZINC000736306876 600378646 /nfs/dbraw/zinc/37/86/46/600378646.db2.gz LUYUEHQUYLOOPZ-SNVBAGLBSA-N -1 1 325.821 3.674 20 0 EHADMM O=C([O-])[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)c1ccccc1 ZINC000739511250 600379391 /nfs/dbraw/zinc/37/93/91/600379391.db2.gz FYJURBUKMUQXFJ-PCUGXKRQSA-N -1 1 337.404 3.893 20 0 EHADMM C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736696467 600422509 /nfs/dbraw/zinc/42/25/09/600422509.db2.gz IXUKBWAZCHZKSA-SECBINFHSA-N -1 1 344.754 3.833 20 0 EHADMM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736690160 600422537 /nfs/dbraw/zinc/42/25/37/600422537.db2.gz MIXKEXQNSGDICX-SECBINFHSA-N -1 1 344.754 3.833 20 0 EHADMM COc1ccc(Cl)cc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738012970 600424917 /nfs/dbraw/zinc/42/49/17/600424917.db2.gz CFRPQVRWVZWOSJ-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1OC1CCC1)c1ccc(F)cc1 ZINC000739503891 600502389 /nfs/dbraw/zinc/50/23/89/600502389.db2.gz COEQBEREKIYACK-GOSISDBHSA-N -1 1 329.371 3.673 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1Cc1ccccc1C ZINC000738769282 600502552 /nfs/dbraw/zinc/50/25/52/600502552.db2.gz SOPADZCOEIJRNJ-OAHLLOKOSA-N -1 1 347.846 3.516 20 0 EHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000832342568 600731338 /nfs/dbraw/zinc/73/13/38/600731338.db2.gz VKMUILGIUWFQAR-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000426794346 600736491 /nfs/dbraw/zinc/73/64/91/600736491.db2.gz UEIXFTYOUABRPG-SFHVURJKSA-N -1 1 347.386 3.539 20 0 EHADMM O=C([O-])[C@@H](NCc1cccc(Br)c1)c1ccccc1F ZINC000354356554 600743913 /nfs/dbraw/zinc/74/39/13/600743913.db2.gz DDTGQZCQGGMFFB-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000573452096 600793544 /nfs/dbraw/zinc/79/35/44/600793544.db2.gz FDRGNQMAZYMTGH-DZGCQCFKSA-N -1 1 326.396 3.589 20 0 EHADMM CCC(C)(C)CCN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000652453572 600817407 /nfs/dbraw/zinc/81/74/07/600817407.db2.gz VNTFBAGHGZGMBF-INIZCTEOSA-N -1 1 349.471 3.904 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC3(C2)CCCCC3)c(C)c1C(=O)[O-] ZINC000738237562 600976382 /nfs/dbraw/zinc/97/63/82/600976382.db2.gz VTJDQPLQJCGXMT-CQSZACIVSA-N -1 1 332.444 3.557 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000248513551 600986720 /nfs/dbraw/zinc/98/67/20/600986720.db2.gz DIJGLYUFBPVBJT-WHOFXGATSA-N -1 1 349.381 3.649 20 0 EHADMM CC(C)(C)n1ncc2c1CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC000736310283 601100860 /nfs/dbraw/zinc/10/08/60/601100860.db2.gz LZCZMSPUIKIBPZ-DOTOQJQBSA-N -1 1 345.418 3.570 20 0 EHADMM CC(C)(C)n1ncc2c1CCC[C@H]2N[C@H](C(=O)[O-])c1ccccc1F ZINC000736310286 601100926 /nfs/dbraw/zinc/10/09/26/601100926.db2.gz LZCZMSPUIKIBPZ-WBVHZDCISA-N -1 1 345.418 3.570 20 0 EHADMM COc1ccccc1-c1nc(CN(C[C@H](C)C(=O)[O-])C2CC2)cs1 ZINC000652489265 601304807 /nfs/dbraw/zinc/30/48/07/601304807.db2.gz APTLRLVQTMPFML-LBPRGKRZSA-N -1 1 346.452 3.504 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000827134287 601506437 /nfs/dbraw/zinc/50/64/37/601506437.db2.gz PHYKKTMAMYLQTP-YOEHRIQHSA-N -1 1 346.471 3.524 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccsc1C(=O)[O-] ZINC000828508569 601825693 /nfs/dbraw/zinc/82/56/93/601825693.db2.gz FXCVNARSHTYMOS-WWGRRREGSA-N -1 1 331.437 3.797 20 0 EHADMM c1ccc(-c2ccccc2NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826519179 607548536 /nfs/dbraw/zinc/54/85/36/607548536.db2.gz NIZQZVGWVFCCOM-UHFFFAOYSA-N -1 1 328.379 3.541 20 0 EHADMM c1ccc(-c2ccccc2NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826519179 607548537 /nfs/dbraw/zinc/54/85/37/607548537.db2.gz NIZQZVGWVFCCOM-UHFFFAOYSA-N -1 1 328.379 3.541 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC[C@H]([C@H](C)NC(=O)[O-])C3)co2)cc1 ZINC000830155019 604199696 /nfs/dbraw/zinc/19/96/96/604199696.db2.gz LUZOFQGYLYVQMV-HOCLYGCPSA-N -1 1 343.427 3.518 20 0 EHADMM O=C([O-])N1CCC(N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000831947906 604527055 /nfs/dbraw/zinc/52/70/55/604527055.db2.gz LZCYIRCWZMIHFL-QGZVFWFLSA-N -1 1 345.830 3.556 20 0 EHADMM CC[C@@H](NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1c(C)noc1C ZINC000833643713 604639661 /nfs/dbraw/zinc/63/96/61/604639661.db2.gz FQTOMGJAOGGLLV-MRXNPFEDSA-N -1 1 346.427 3.613 20 0 EHADMM C[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1cccc(Cl)c1 ZINC000833411114 605058627 /nfs/dbraw/zinc/05/86/27/605058627.db2.gz LWPMCZBFPTVSLE-VIFPVBQESA-N -1 1 343.770 3.657 20 0 EHADMM CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(OCC(=O)[O-])cc2)s1 ZINC000833673318 605298370 /nfs/dbraw/zinc/29/83/70/605298370.db2.gz JLPKYHRBASZBKO-CYBMUJFWSA-N -1 1 348.468 3.670 20 0 EHADMM c1ccc2c(c1)OC1(CCCC1)C[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000823756578 607034429 /nfs/dbraw/zinc/03/44/29/607034429.db2.gz CLWLUTRPTBROGA-HNNXBMFYSA-N -1 1 348.410 3.510 20 0 EHADMM c1ccc2c(c1)OC1(CCCC1)C[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000823756578 607034430 /nfs/dbraw/zinc/03/44/30/607034430.db2.gz CLWLUTRPTBROGA-HNNXBMFYSA-N -1 1 348.410 3.510 20 0 EHADMM CC(C)c1cc(Oc2cccc(F)c2-c2nnn[n-]2)nc(C(C)C)n1 ZINC000824347580 608051144 /nfs/dbraw/zinc/05/11/44/608051144.db2.gz FFNQFSKACRLTFT-UHFFFAOYSA-N -1 1 342.378 3.835 20 0 EHADMM CC(C)c1cc(Oc2cccc(F)c2-c2nn[n-]n2)nc(C(C)C)n1 ZINC000824347580 608051145 /nfs/dbraw/zinc/05/11/45/608051145.db2.gz FFNQFSKACRLTFT-UHFFFAOYSA-N -1 1 342.378 3.835 20 0 EHADMM CC(C)(C)c1cc(NC(=O)CCC2CCC2)c(-c2nnn[n-]2)s1 ZINC000824131259 608349828 /nfs/dbraw/zinc/34/98/28/608349828.db2.gz YDHYPHHBTNAMGS-UHFFFAOYSA-N -1 1 333.461 3.745 20 0 EHADMM CC(C)(C)c1cc(NC(=O)CCC2CCC2)c(-c2nn[n-]n2)s1 ZINC000824131259 608349830 /nfs/dbraw/zinc/34/98/30/608349830.db2.gz YDHYPHHBTNAMGS-UHFFFAOYSA-N -1 1 333.461 3.745 20 0 EHADMM c1sc2ccccc2c1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826523518 609437119 /nfs/dbraw/zinc/43/71/19/609437119.db2.gz PDZVSPOEZMEAJU-UHFFFAOYSA-N -1 1 345.391 3.768 20 0 EHADMM c1sc2ccccc2c1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826523518 609437122 /nfs/dbraw/zinc/43/71/22/609437122.db2.gz PDZVSPOEZMEAJU-UHFFFAOYSA-N -1 1 345.391 3.768 20 0 EHADMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)oc1C ZINC000826260640 947753278 /nfs/dbraw/zinc/75/32/78/947753278.db2.gz YNLQTARLKRKHGR-UHFFFAOYSA-N -1 1 345.428 3.688 20 0 EHADMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)oc1C ZINC000826260640 947753280 /nfs/dbraw/zinc/75/32/80/947753280.db2.gz YNLQTARLKRKHGR-UHFFFAOYSA-N -1 1 345.428 3.688 20 0 EHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC001589280289 953496033 /nfs/dbraw/zinc/49/60/33/953496033.db2.gz CBTUTOJVABOPSC-WPRPVWTQSA-N -1 1 337.288 3.526 20 0 EHADMM O=C([O-])C1(C(=O)Nc2cccc3c2CN(C2CC2)C3)CCCCCC1 ZINC001594877759 954391871 /nfs/dbraw/zinc/39/18/71/954391871.db2.gz LPOQUHMYVQWQDC-UHFFFAOYSA-N -1 1 342.439 3.528 20 0 EHADMM O=C([O-])c1ccccc1OCCNC1(c2ccccc2Cl)CC1 ZINC000842937886 955614935 /nfs/dbraw/zinc/61/49/35/955614935.db2.gz SMFSPUYIBZQUCK-UHFFFAOYSA-N -1 1 331.799 3.696 20 0 EHADMM O=C([O-])c1cccc(CNCc2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC001574809338 957868371 /nfs/dbraw/zinc/86/83/71/957868371.db2.gz MBXOIOZRGMCMAT-UHFFFAOYSA-N -1 1 344.720 3.742 20 0 EHADMM CC(C)(CCC(=O)[O-])NC(=O)c1cc(Cl)c2ccccc2c1O ZINC001573470045 958946887 /nfs/dbraw/zinc/94/68/87/958946887.db2.gz MDNCPUCCEZDSAU-UHFFFAOYSA-N -1 1 335.787 3.572 20 0 EHADMM C[C@H]1CN(Cc2c(Cl)cc(Cl)cc2N(C)C)CC[C@@H]1C(=O)[O-] ZINC000625970566 968513429 /nfs/dbraw/zinc/51/34/29/968513429.db2.gz URRJLQWZOTUBQB-JQWIXIFHSA-N -1 1 345.270 3.602 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C1CCC(=O)CC1 ZINC000514675488 1024660251 /nfs/dbraw/zinc/66/02/51/1024660251.db2.gz NWGGFWOWKKULGW-UHFFFAOYSA-N -1 1 346.608 3.506 20 0 EHADMM Cc1ccc(OC(F)F)c(CNCc2ccccc2CC(=O)[O-])c1 ZINC000417545224 973960090 /nfs/dbraw/zinc/96/00/90/973960090.db2.gz IROHBLFCJHNKTJ-UHFFFAOYSA-N -1 1 335.350 3.513 20 0 EHADMM CO[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000520430878 974339537 /nfs/dbraw/zinc/33/95/37/974339537.db2.gz POILNJDZCYALNM-UONOGXRCSA-N -1 1 346.254 3.866 20 0 EHADMM CCOc1cc(CN2CCC[C@H](CCC(=O)[O-])C2)cc(Cl)c1O ZINC001603856798 974356139 /nfs/dbraw/zinc/35/61/39/974356139.db2.gz FGKMWUSBNODOIE-GFCCVEGCSA-N -1 1 341.835 3.521 20 0 EHADMM CCOc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000569732762 974697754 /nfs/dbraw/zinc/69/77/54/974697754.db2.gz OELWENBWGUIPOZ-GOSISDBHSA-N -1 1 326.396 3.516 20 0 EHADMM C/C(=C\CN1CCC(c2ccccc2Br)CC1)C(=O)[O-] ZINC000846253467 979426774 /nfs/dbraw/zinc/42/67/74/979426774.db2.gz DPZYMPKLYRZKAR-WUXMJOGZSA-N -1 1 338.245 3.659 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000902110787 980739766 /nfs/dbraw/zinc/73/97/66/980739766.db2.gz FIOUUTOBYCYQAZ-VIFPVBQESA-N -1 1 325.311 3.738 20 0 EHADMM COc1cc([C@H](C)NCc2cc(C(=O)[O-])oc2C)ccc1OC(C)C ZINC000902121502 980744804 /nfs/dbraw/zinc/74/48/04/980744804.db2.gz YBCYGZIHGNEXLY-LBPRGKRZSA-N -1 1 347.411 3.933 20 0 EHADMM Cc1oc(CN2CCC(OCC3CCCCC3)CC2)cc1C(=O)[O-] ZINC000902195238 980777798 /nfs/dbraw/zinc/77/77/98/980777798.db2.gz KPBPQBSXTRRKKI-UHFFFAOYSA-N -1 1 335.444 3.848 20 0 EHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CCS1 ZINC000902281287 980814621 /nfs/dbraw/zinc/81/46/21/980814621.db2.gz IXVANEBWADLPIB-UHFFFAOYSA-N -1 1 333.375 3.731 20 0 EHADMM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2)C[C@H]1CC(=O)[O-] ZINC000903629818 981006206 /nfs/dbraw/zinc/00/62/06/981006206.db2.gz YFDNIJOCHNXJFE-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM Cc1cc(C)nc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000903916122 981037414 /nfs/dbraw/zinc/03/74/14/981037414.db2.gz IIFUKFLCQXVVMH-OAHLLOKOSA-N -1 1 338.329 3.633 20 0 EHADMM O=C([O-])c1cnc([C@@H]2CCN(Cc3cccc(Cl)c3F)C2)s1 ZINC000903928539 981047520 /nfs/dbraw/zinc/04/75/20/981047520.db2.gz SZUSIVCVNGHLCE-SNVBAGLBSA-N -1 1 340.807 3.623 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(-c2ccccc2Cl)on1 ZINC000903939045 981058433 /nfs/dbraw/zinc/05/84/33/981058433.db2.gz LEAGHUIGPNIMJO-VXGBXAGGSA-N -1 1 334.803 3.680 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000092604543 1014923314 /nfs/dbraw/zinc/92/33/14/1014923314.db2.gz HYVZKVKPYACNMJ-KRWDZBQOSA-N -1 1 349.789 3.523 20 0 EHADMM CCN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@H](C)c1cccc(OC)c1 ZINC001596359533 983834215 /nfs/dbraw/zinc/83/42/15/983834215.db2.gz IFTKXFRHPRNHFC-PLSXKVAHSA-N -1 1 329.396 3.969 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC001599901628 984841919 /nfs/dbraw/zinc/84/19/19/984841919.db2.gz RFCUBDYMKDHIFE-VIFPVBQESA-N -1 1 325.195 3.937 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCC[C@H]2CCC2CCCC2)c(C)c1C(=O)[O-] ZINC001599946198 985531702 /nfs/dbraw/zinc/53/17/02/985531702.db2.gz XBTCHAHGNAKTMA-INIZCTEOSA-N -1 1 346.471 3.947 20 0 EHADMM CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001589205866 985672524 /nfs/dbraw/zinc/67/25/24/985672524.db2.gz OFLGFHWQQMLOAT-RYUDHWBXSA-N -1 1 330.384 3.656 20 0 EHADMM Cc1[nH]c(SCc2occc2C(=O)[O-])nc1Cc1ccccc1 ZINC001599966169 985909963 /nfs/dbraw/zinc/90/99/63/985909963.db2.gz SFEMJEJACWVKLA-UHFFFAOYSA-N -1 1 328.393 3.892 20 0 EHADMM CCc1[nH]c(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1C(=O)[O-] ZINC001597385456 987595733 /nfs/dbraw/zinc/59/57/33/987595733.db2.gz SYAVPFTXEXZWFK-HNNXBMFYSA-N -1 1 348.830 3.582 20 0 EHADMM CCc1ccc(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)o1 ZINC001597530272 988182942 /nfs/dbraw/zinc/18/29/42/988182942.db2.gz SZFYIGGMECOQNB-UHFFFAOYSA-N -1 1 342.420 3.954 20 0 EHADMM CSc1ccc(F)cc1CNCc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001599814046 988389106 /nfs/dbraw/zinc/38/91/06/988389106.db2.gz FFKPYMGHTJNEJE-UHFFFAOYSA-N -1 1 334.416 3.741 20 0 EHADMM CCc1onc(C)c1CN[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001597813559 989433387 /nfs/dbraw/zinc/43/33/87/989433387.db2.gz GSHGCYUINPWFRZ-KRWDZBQOSA-N -1 1 336.819 3.679 20 0 EHADMM CC(C)(NCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1 ZINC001590871281 990776816 /nfs/dbraw/zinc/77/68/16/990776816.db2.gz LNWHPXOXAXJZCL-UHFFFAOYSA-N -1 1 346.814 3.545 20 0 EHADMM COc1ccccc1CN(Cc1ccc(C)c(C(=O)[O-])c1)C1CC1 ZINC001599711179 991372957 /nfs/dbraw/zinc/37/29/57/991372957.db2.gz KFJUKIXGPFENNL-UHFFFAOYSA-N -1 1 325.408 3.866 20 0 EHADMM COc1nc(C)cc(C)c1CN(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599729860 991694154 /nfs/dbraw/zinc/69/41/54/991694154.db2.gz XLVXWFYWMUBDRA-INIZCTEOSA-N -1 1 348.830 3.618 20 0 EHADMM CC(C)C[C@@H]1CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001591207680 992043680 /nfs/dbraw/zinc/04/36/80/992043680.db2.gz VYLZAJVHEZTIDK-NSHDSACASA-N -1 1 344.249 3.998 20 0 EHADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)c(OC[C@H]2CCCO2)c1 ZINC000154822490 1015818490 /nfs/dbraw/zinc/81/84/90/1015818490.db2.gz DQXSQZZRSVOLOO-CQSZACIVSA-N -1 1 345.370 3.650 20 0 EHADMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccns1 ZINC001593194747 994140591 /nfs/dbraw/zinc/14/05/91/994140591.db2.gz MOMOSOSTTIPSAW-QPUJVOFHSA-N -1 1 330.331 3.638 20 0 EHADMM C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1ccc(C(=O)[O-])o1 ZINC001593198697 994174586 /nfs/dbraw/zinc/17/45/86/994174586.db2.gz UAUBUAXOXPDHLW-NXEZZACHSA-N -1 1 325.311 3.991 20 0 EHADMM C[C@H](NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593246267 994449484 /nfs/dbraw/zinc/44/94/84/994449484.db2.gz JKTGGQNXJKIAMT-ISVAXAHUSA-N -1 1 344.194 3.669 20 0 EHADMM COc1cccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1Cl ZINC001599674798 994879285 /nfs/dbraw/zinc/87/92/85/994879285.db2.gz ZNJINJPIFRXNQZ-KRWDZBQOSA-N -1 1 333.815 3.881 20 0 EHADMM C[C@@H](Nc1ccc(CN(C)C)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593362059 995029587 /nfs/dbraw/zinc/02/95/87/995029587.db2.gz CHTFKLLPUJXHFA-SECBINFHSA-N -1 1 339.848 3.729 20 0 EHADMM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc([O-])cc1F ZINC000154909769 1015936902 /nfs/dbraw/zinc/93/69/02/1015936902.db2.gz ZHCSMGSJKDAMDM-UHFFFAOYSA-N -1 1 345.370 3.589 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000339945041 1016002589 /nfs/dbraw/zinc/00/25/89/1016002589.db2.gz MQPYZWBYJKPFCU-HXUWFJFHSA-N -1 1 330.387 3.575 20 0 EHADMM C[C@H](c1ccccc1Cl)N(C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001593712924 996216804 /nfs/dbraw/zinc/21/68/04/996216804.db2.gz HWZASPVKWMNWDU-IUPBHXKESA-N -1 1 329.774 3.831 20 0 EHADMM C[C@@H](c1nccc2ccccc21)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593737216 996333467 /nfs/dbraw/zinc/33/34/67/996333467.db2.gz LCXQNQNZXGHORX-AWEZNQCLSA-N -1 1 348.402 3.889 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1C ZINC000180714004 1016029189 /nfs/dbraw/zinc/02/91/89/1016029189.db2.gz PKMJMVLBRFKVBN-UHFFFAOYSA-N -1 1 344.480 3.828 20 0 EHADMM COc1cc([C@H](C)NCc2ccc(C(=O)[O-])o2)cc2ccccc21 ZINC001599388709 996992685 /nfs/dbraw/zinc/99/26/85/996992685.db2.gz GDYBDINBIMTSAH-LBPRGKRZSA-N -1 1 325.364 3.990 20 0 EHADMM C[C@]1(CCc2ccccc2)CCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001594010225 997443190 /nfs/dbraw/zinc/44/31/90/997443190.db2.gz KJQCHEGNNSQRCU-SFHVURJKSA-N -1 1 330.453 3.686 20 0 EHADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc(F)cc1 ZINC000109713767 1016239335 /nfs/dbraw/zinc/23/93/35/1016239335.db2.gz LEZCKLJAAPHGDR-SSDOTTSWSA-N -1 1 346.305 3.704 20 0 EHADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC001594267414 999036960 /nfs/dbraw/zinc/03/69/60/999036960.db2.gz XLQXVCZLVANZDC-NTZNESFSSA-N -1 1 334.416 3.919 20 0 EHADMM CO[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC001599054043 999216271 /nfs/dbraw/zinc/21/62/71/999216271.db2.gz PZQHOVZAYLNDBG-JOYOIKCWSA-N -1 1 340.832 3.533 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1 ZINC001625859595 1016311935 /nfs/dbraw/zinc/31/19/35/1016311935.db2.gz KUELJBBHOVJXFW-AWEZNQCLSA-N -1 1 341.407 3.791 20 0 EHADMM C[C@H]1C[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000683359178 1016338525 /nfs/dbraw/zinc/33/85/25/1016338525.db2.gz MANRDYXEAGPGTK-NTSWFWBYSA-N -1 1 349.022 3.512 20 0 EHADMM CN(CCOc1cccc(C(=O)[O-])c1)Cc1ccc(Cl)s1 ZINC000048985022 1016531065 /nfs/dbraw/zinc/53/10/65/1016531065.db2.gz FEUUSIJOUDGAOH-UHFFFAOYSA-N -1 1 325.817 3.611 20 0 EHADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(-c2ccncc2)on1 ZINC000340190962 1016661984 /nfs/dbraw/zinc/66/19/84/1016661984.db2.gz DEJZORIXWAKRNE-UHFFFAOYSA-N -1 1 349.375 3.507 20 0 EHADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000340328112 1016951246 /nfs/dbraw/zinc/95/12/46/1016951246.db2.gz BVAXDXQWCQEJMU-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1nc(-c2ccccc2)no1 ZINC000188144279 1017060629 /nfs/dbraw/zinc/06/06/29/1017060629.db2.gz VNRNBRWWJGRPFN-SNVBAGLBSA-N -1 1 340.408 3.963 20 0 EHADMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c(C)c1 ZINC000188133516 1017061225 /nfs/dbraw/zinc/06/12/25/1017061225.db2.gz WDMSBIZCHXDOIM-LBPRGKRZSA-N -1 1 343.452 3.796 20 0 EHADMM CC(C)N(C(=O)CSc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000188145022 1017067642 /nfs/dbraw/zinc/06/76/42/1017067642.db2.gz YPXHAHCBLNUUTQ-UHFFFAOYSA-N -1 1 343.452 3.593 20 0 EHADMM CC[C@H]1CCc2c(sc3nc(-c4cnn(C)c4Cl)[n-]c(=O)c23)C1 ZINC000841497564 1032276904 /nfs/dbraw/zinc/27/69/04/1032276904.db2.gz JGTLGAMGSQZUGZ-QMMMGPOBSA-N -1 1 348.859 3.966 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1CC ZINC000536991512 1032465700 /nfs/dbraw/zinc/46/57/00/1032465700.db2.gz QZNDQVWAMYUOTP-UHFFFAOYSA-N -1 1 331.437 3.642 20 0 EHADMM Cc1nc(CNCc2cccc([O-])c2Cl)sc1Br ZINC000449402158 1032525726 /nfs/dbraw/zinc/52/57/26/1032525726.db2.gz POFHFMRNEUWUPX-UHFFFAOYSA-N -1 1 347.665 3.863 20 0 EHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccc(OC(F)F)c1 ZINC000537212942 1032563961 /nfs/dbraw/zinc/56/39/61/1032563961.db2.gz ZZDPARKXZYLEQI-MRVPVSSYSA-N -1 1 343.276 3.763 20 0 EHADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000460127215 1032603873 /nfs/dbraw/zinc/60/38/73/1032603873.db2.gz CDOOETQFTNTIIA-DOMZBBRYSA-N -1 1 328.412 3.864 20 0 EHADMM CCCCCCN(Cc1ccco1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000890942453 1017413665 /nfs/dbraw/zinc/41/36/65/1017413665.db2.gz MWROXDUTDFSWTA-UHFFFAOYSA-N -1 1 343.427 3.875 20 0 EHADMM CCCc1cc(-c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)n[nH]1 ZINC000683589199 1017551098 /nfs/dbraw/zinc/55/10/98/1017551098.db2.gz CNILDZVGPMLAKN-UHFFFAOYSA-N -1 1 348.790 3.837 20 0 EHADMM COc1ccc(-c2nc(Cc3nccc4ccccc43)no2)c([O-])c1 ZINC000445506306 1017897912 /nfs/dbraw/zinc/89/79/12/1017897912.db2.gz VZANRWKJKDNYEP-UHFFFAOYSA-N -1 1 333.347 3.590 20 0 EHADMM C[C@H]1CCCC[C@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000644675493 1018196778 /nfs/dbraw/zinc/19/67/78/1018196778.db2.gz ZPAJRDVEWUEWPJ-KBXCAEBGSA-N -1 1 329.440 3.640 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCSC2(CCC2)CC1 ZINC000665953384 1032759893 /nfs/dbraw/zinc/75/98/93/1032759893.db2.gz ORAATGMZWBNNKG-UHFFFAOYSA-N -1 1 345.386 3.913 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2cc(N3CCCCC3)ccn2)no1 ZINC000656056971 1018396934 /nfs/dbraw/zinc/39/69/34/1018396934.db2.gz ZMNDKZOWIZGREL-UHFFFAOYSA-N -1 1 340.358 3.634 20 0 EHADMM CCc1nc(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)[n-]c(=O)c1C ZINC000584540979 1018505229 /nfs/dbraw/zinc/50/52/29/1018505229.db2.gz RYQMREHSCQYQCM-LLVKDONJSA-N -1 1 349.431 3.620 20 0 EHADMM O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc([O-])c(F)c1 ZINC000683891563 1019112776 /nfs/dbraw/zinc/11/27/76/1019112776.db2.gz BVDPZVIWUKDKHA-UHFFFAOYSA-N -1 1 346.358 3.724 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc(-c3cn(C)nn3)c2)c([O-])c1 ZINC001167414113 1019506378 /nfs/dbraw/zinc/50/63/78/1019506378.db2.gz RDTGKQLNVKGTPY-UHFFFAOYSA-N -1 1 336.395 3.563 20 0 EHADMM Cc1cnc(SCc2ccccc2OCC(F)(F)F)[n-]c1=O ZINC000580660972 1019819004 /nfs/dbraw/zinc/81/90/04/1019819004.db2.gz YTOAJATVNJWTIP-UHFFFAOYSA-N -1 1 330.331 3.724 20 0 EHADMM CCn1c(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])nc2ccccc21 ZINC000580690757 1019866146 /nfs/dbraw/zinc/86/61/46/1019866146.db2.gz JIMOUAVOSIETOM-LIRRHRJNSA-N -1 1 337.423 3.608 20 0 EHADMM O=C([O-])[C@H](NCc1nc2c(s1)CCCC2)C(C1CCC1)C1CCC1 ZINC000669481507 1032864554 /nfs/dbraw/zinc/86/45/54/1032864554.db2.gz OAOGJJODRFRNAY-GOSISDBHSA-N -1 1 348.512 3.781 20 0 EHADMM O=S(=O)([N-]c1ccc([C@@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000581436493 1020916467 /nfs/dbraw/zinc/91/64/67/1020916467.db2.gz NISKZAFCCCEXGC-CYBMUJFWSA-N -1 1 337.828 3.645 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)cc1 ZINC000114232679 1032941206 /nfs/dbraw/zinc/94/12/06/1032941206.db2.gz VEUHICZIMFNJJU-UHFFFAOYSA-N -1 1 330.409 3.890 20 0 EHADMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 ZINC000656612976 1021023026 /nfs/dbraw/zinc/02/30/26/1021023026.db2.gz DHHSJZGXHPZKTO-ZDUSSCGKSA-N -1 1 347.436 3.867 20 0 EHADMM Cc1ccc(C)c(OC2CCN(Cc3occc3C(=O)[O-])CC2)c1 ZINC000581553222 1021080712 /nfs/dbraw/zinc/08/07/12/1021080712.db2.gz HEDCRAOSPOITBD-UHFFFAOYSA-N -1 1 329.396 3.638 20 0 EHADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1cccc(O)c1 ZINC000436764544 1021213425 /nfs/dbraw/zinc/21/34/25/1021213425.db2.gz RVKHHDKEXQNWNY-VIFPVBQESA-N -1 1 325.286 3.608 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1nc2ccccc2n1C ZINC000436799434 1021221648 /nfs/dbraw/zinc/22/16/48/1021221648.db2.gz YDYWMPSQZWLJJS-ZDUSSCGKSA-N -1 1 345.402 3.923 20 0 EHADMM COCC[C@H](Cc1ccco1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436833602 1021266168 /nfs/dbraw/zinc/26/61/68/1021266168.db2.gz KIEORXQVZSTGFA-OAHLLOKOSA-N -1 1 339.391 3.516 20 0 EHADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCC1CCC1)CC2 ZINC000656754680 1021283628 /nfs/dbraw/zinc/28/36/28/1021283628.db2.gz AZKSTKHQXCPWBW-QGZVFWFLSA-N -1 1 347.455 3.658 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2ccccc2OC(F)F)[C@@H]2CCCC[C@H]12 ZINC000656765241 1021296971 /nfs/dbraw/zinc/29/69/71/1021296971.db2.gz MZCFHWMBSLWNFI-RBSFLKMASA-N -1 1 339.382 3.753 20 0 EHADMM COc1ccc(F)cc1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436874354 1021319910 /nfs/dbraw/zinc/31/99/10/1021319910.db2.gz TZILXRDZLSXOEN-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(C)c1OC ZINC000436881622 1021333567 /nfs/dbraw/zinc/33/35/67/1021333567.db2.gz XOJGGZWECRJEEV-UHFFFAOYSA-N -1 1 330.315 3.574 20 0 EHADMM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc([O-])cc1F ZINC000436887868 1021339791 /nfs/dbraw/zinc/33/97/91/1021339791.db2.gz LOYHPAZGUXBVAR-HNNXBMFYSA-N -1 1 341.304 3.825 20 0 EHADMM COCC[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccco1 ZINC000436889323 1021341491 /nfs/dbraw/zinc/34/14/91/1021341491.db2.gz WFTAMGZYRSBWQZ-INIZCTEOSA-N -1 1 325.364 3.646 20 0 EHADMM Cn1cc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)cn1 ZINC000436888149 1021342080 /nfs/dbraw/zinc/34/20/80/1021342080.db2.gz QMVNRCYQGCILHD-UHFFFAOYSA-N -1 1 334.335 3.635 20 0 EHADMM CCOCc1ccc(-c2noc(-c3ccc(OC)cc3[O-])n2)cc1 ZINC000436909370 1021354038 /nfs/dbraw/zinc/35/40/38/1021354038.db2.gz MQXJVQGGVFBGCA-UHFFFAOYSA-N -1 1 326.352 3.654 20 0 EHADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000436910834 1021356379 /nfs/dbraw/zinc/35/63/79/1021356379.db2.gz DSDBDLFJYWOMBR-LLVKDONJSA-N -1 1 326.234 3.805 20 0 EHADMM CC(C)(C)OC1CC(CCNC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436951019 1021394177 /nfs/dbraw/zinc/39/41/77/1021394177.db2.gz QTZPTMAZLKLUQZ-UHFFFAOYSA-N -1 1 325.836 3.759 20 0 EHADMM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436937587 1021400212 /nfs/dbraw/zinc/40/02/12/1021400212.db2.gz GHBDFLFUOUHGAJ-HNAYVOBHSA-N -1 1 337.419 3.883 20 0 EHADMM O=C(N[C@H](c1ccccc1F)C1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436944319 1021406498 /nfs/dbraw/zinc/40/64/98/1021406498.db2.gz PFIMFDDXLAODAJ-SFHVURJKSA-N -1 1 341.382 3.762 20 0 EHADMM COC(=O)c1ccc(Cl)c(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000436953583 1021419759 /nfs/dbraw/zinc/41/97/59/1021419759.db2.gz ABGWEWBXDMZYQN-UHFFFAOYSA-N -1 1 348.717 3.688 20 0 EHADMM CC(C)(C)Nc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)nc1 ZINC000436957488 1021424070 /nfs/dbraw/zinc/42/40/70/1021424070.db2.gz VPWSZZDPYUXUPS-UHFFFAOYSA-N -1 1 328.347 3.854 20 0 EHADMM CCc1cc(C(=O)N=c2cc(C)n(C3CCCCC3)[nH]2)ccc1[O-] ZINC000427512878 1021443449 /nfs/dbraw/zinc/44/34/49/1021443449.db2.gz YYXNABJHXNVIER-UHFFFAOYSA-N -1 1 327.428 3.639 20 0 EHADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc21 ZINC000516622350 1021604314 /nfs/dbraw/zinc/60/43/14/1021604314.db2.gz MYBLPOIVHZNQPR-UHFFFAOYSA-N -1 1 341.432 3.884 20 0 EHADMM CC(C)[C@H](NC(=O)c1cncc([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000439747039 1021675968 /nfs/dbraw/zinc/67/59/68/1021675968.db2.gz SPYFFNMTTDBFGE-HNNXBMFYSA-N -1 1 338.329 3.933 20 0 EHADMM CCn1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1C(F)(F)F ZINC000439890730 1021789995 /nfs/dbraw/zinc/78/99/95/1021789995.db2.gz BBTOHXGDRLINLL-UHFFFAOYSA-N -1 1 348.712 3.925 20 0 EHADMM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cc(Cl)sc1Cl ZINC000519997622 1021860510 /nfs/dbraw/zinc/86/05/10/1021860510.db2.gz YGVVXLXEOOCHCS-QMMMGPOBSA-N -1 1 326.270 3.690 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C1 ZINC000171346271 1033019487 /nfs/dbraw/zinc/01/94/87/1033019487.db2.gz GWOSVQTUYKWAQG-UHFFFAOYSA-N -1 1 330.453 3.521 20 0 EHADMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000437694530 1022061218 /nfs/dbraw/zinc/06/12/18/1022061218.db2.gz NHETTXPVJGYKNP-SSDOTTSWSA-N -1 1 348.342 3.865 20 0 EHADMM C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000517370359 1022290947 /nfs/dbraw/zinc/29/09/47/1022290947.db2.gz FNBPBUVYLAPVNB-RNCFNFMXSA-N -1 1 335.753 3.901 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000517370359 1022290952 /nfs/dbraw/zinc/29/09/52/1022290952.db2.gz FNBPBUVYLAPVNB-RNCFNFMXSA-N -1 1 335.753 3.901 20 0 EHADMM CCOc1cccc2[nH]cc(CC(=O)Nc3ccc(F)cc3[O-])c21 ZINC000438150028 1022432886 /nfs/dbraw/zinc/43/28/86/1022432886.db2.gz JDEFSCAVXOVDOY-UHFFFAOYSA-N -1 1 328.343 3.593 20 0 EHADMM CC(C)[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)N1CCCCC1 ZINC000330668111 1022632116 /nfs/dbraw/zinc/63/21/16/1022632116.db2.gz BZFSIHCAPSKZOV-OAHLLOKOSA-N -1 1 328.815 3.634 20 0 EHADMM CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)C12CCCCC2 ZINC000280783695 1022932232 /nfs/dbraw/zinc/93/22/32/1022932232.db2.gz NQDQSBCVXBHSJC-UONOGXRCSA-N -1 1 339.382 3.528 20 0 EHADMM Cc1ccc2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)[n-]c(=O)c2c1 ZINC000426124546 1022952832 /nfs/dbraw/zinc/95/28/32/1022952832.db2.gz STPVXLTUIIXPLA-CQSZACIVSA-N -1 1 347.418 3.523 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000438749982 1022958936 /nfs/dbraw/zinc/95/89/36/1022958936.db2.gz FHQJOMSIOHBNLA-UHFFFAOYSA-N -1 1 335.400 3.724 20 0 EHADMM O=C([O-])C[C@@H](NCc1cnc(-c2ccccn2)s1)c1ccsc1 ZINC000426695536 1022969240 /nfs/dbraw/zinc/96/92/40/1022969240.db2.gz JYSLOIBLKRZIGX-CQSZACIVSA-N -1 1 345.449 3.572 20 0 EHADMM COc1cc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)ccc1OC(C)C ZINC000426766075 1023016829 /nfs/dbraw/zinc/01/68/29/1023016829.db2.gz WDXBTVQUIMGKBU-OAHLLOKOSA-N -1 1 347.411 3.689 20 0 EHADMM COc1ccccc1[C@H](NCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000426775823 1023036075 /nfs/dbraw/zinc/03/60/75/1023036075.db2.gz CUWZSVWQRHWYKR-HNNXBMFYSA-N -1 1 339.313 3.630 20 0 EHADMM CCc1ccc([C@H](NCc2cc(Cl)cc3c2OCC3)C(=O)[O-])cc1 ZINC000426805667 1023046983 /nfs/dbraw/zinc/04/69/83/1023046983.db2.gz DOPLSFNSDAKYRD-KRWDZBQOSA-N -1 1 345.826 3.753 20 0 EHADMM O=C([O-])[C@H](NCc1csc(Br)c1)c1cccc(F)c1 ZINC000426821672 1023066520 /nfs/dbraw/zinc/06/65/20/1023066520.db2.gz VUQYBPUBOVHFAL-GFCCVEGCSA-N -1 1 344.205 3.565 20 0 EHADMM Cc1ccccc1[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000438921028 1023141684 /nfs/dbraw/zinc/14/16/84/1023141684.db2.gz SWGGRPCLWXYPPP-GOSISDBHSA-N -1 1 325.408 3.787 20 0 EHADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000427015979 1023159410 /nfs/dbraw/zinc/15/94/10/1023159410.db2.gz LFEZVCVAWDRUHL-QGZVFWFLSA-N -1 1 341.480 3.733 20 0 EHADMM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ncc(C)cc2[O-])c1 ZINC000427075002 1023195773 /nfs/dbraw/zinc/19/57/73/1023195773.db2.gz RERNJADGYSGKCA-UHFFFAOYSA-N -1 1 347.418 3.642 20 0 EHADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cnc2ccsc2c1 ZINC000431182362 1023397695 /nfs/dbraw/zinc/39/76/95/1023397695.db2.gz OKVRCUYWTGRAEQ-UHFFFAOYSA-N -1 1 344.339 3.514 20 0 EHADMM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000657134031 1023512343 /nfs/dbraw/zinc/51/23/43/1023512343.db2.gz ICJPZGPBUNRGMU-UHFFFAOYSA-N -1 1 346.301 3.538 20 0 EHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000471979119 1023695235 /nfs/dbraw/zinc/69/52/35/1023695235.db2.gz QKACPDNBCPENAM-UHFFFAOYSA-N -1 1 335.450 3.548 20 0 EHADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1csc(=NC2CC2)[nH]1 ZINC000434344526 1023968909 /nfs/dbraw/zinc/96/89/09/1023968909.db2.gz MNYQXEPBJISYJW-MRXNPFEDSA-N -1 1 343.496 3.623 20 0 EHADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000434344526 1023968919 /nfs/dbraw/zinc/96/89/19/1023968919.db2.gz MNYQXEPBJISYJW-MRXNPFEDSA-N -1 1 343.496 3.623 20 0 EHADMM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)ccc1C ZINC000417560995 1024038726 /nfs/dbraw/zinc/03/87/26/1024038726.db2.gz KZDVZKXZFBHKGR-INIZCTEOSA-N -1 1 335.350 3.587 20 0 EHADMM C=Cc1ccc(CCNC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000428281731 1024051787 /nfs/dbraw/zinc/05/17/87/1024051787.db2.gz MWFRYQCEXXKURZ-UHFFFAOYSA-N -1 1 331.799 3.670 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)cc1C ZINC000550556201 1024344051 /nfs/dbraw/zinc/34/40/51/1024344051.db2.gz CJSPJTYXNPOFBE-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM C[C@@H](N=c1ccc(N(Cc2cccnc2)C2CC2)n[n-]1)c1ccccc1 ZINC000425215855 1024453626 /nfs/dbraw/zinc/45/36/26/1024453626.db2.gz OYECHZGNYBBLRR-MRXNPFEDSA-N -1 1 345.450 3.636 20 0 EHADMM CS(=O)(=O)[N-]c1ccc(Br)cc1Oc1ccccc1 ZINC000585671120 1024601067 /nfs/dbraw/zinc/60/10/67/1024601067.db2.gz KDYXDEKYPNSNNN-UHFFFAOYSA-N -1 1 342.214 3.613 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1Cl ZINC000474412160 1024905878 /nfs/dbraw/zinc/90/58/78/1024905878.db2.gz LKUNLAKGGHUSTG-UHFFFAOYSA-N -1 1 339.848 3.830 20 0 EHADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc2nn1C ZINC000515036194 1024978321 /nfs/dbraw/zinc/97/83/21/1024978321.db2.gz RAWBVMNEEDHUMA-UHFFFAOYSA-N -1 1 341.436 3.560 20 0 EHADMM CSc1c(F)cccc1[N-]C(=O)c1snnc1C(C)(C)C ZINC000622904388 1025046990 /nfs/dbraw/zinc/04/69/90/1025046990.db2.gz BOMNPYINUYTWHJ-UHFFFAOYSA-N -1 1 325.434 3.949 20 0 EHADMM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C[C@@H]1C ZINC000574525452 1033269847 /nfs/dbraw/zinc/26/98/47/1033269847.db2.gz QVKCORNGEJGLBV-BFVZDQMLSA-N -1 1 344.224 3.692 20 0 EHADMM O=C(c1cc([O-])ccc1Cl)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000346875992 1025271175 /nfs/dbraw/zinc/27/11/75/1025271175.db2.gz BAEXWBQYNQMIII-SNVBAGLBSA-N -1 1 327.767 3.766 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)n1 ZINC000436195476 1025467492 /nfs/dbraw/zinc/46/74/92/1025467492.db2.gz DUZQIEGXRVBRMU-ZETCQYMHSA-N -1 1 342.342 3.525 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2C(C)(C)C)n1 ZINC000436213053 1025481530 /nfs/dbraw/zinc/48/15/30/1025481530.db2.gz XMVCEYFOZPZJFK-UHFFFAOYSA-N -1 1 345.468 3.773 20 0 EHADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccc(F)c(F)c1F ZINC000102748748 1025543578 /nfs/dbraw/zinc/54/35/78/1025543578.db2.gz JJYHGWJNECMIGO-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000436485573 1025789645 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CC[C@@]1(C)CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436577996 1025882070 /nfs/dbraw/zinc/88/20/70/1025882070.db2.gz VGXGDRJLBRGDAV-HNNXBMFYSA-N -1 1 326.234 3.807 20 0 EHADMM COc1cc(C(=O)NC[C@H](C)Cc2cccs2)cc(Cl)c1[O-] ZINC000443290141 1025884548 /nfs/dbraw/zinc/88/45/48/1025884548.db2.gz OLJKTJVSXUWCKF-SNVBAGLBSA-N -1 1 339.844 3.724 20 0 EHADMM CN(CCCOc1cccc(Cl)c1)C(=O)c1cc(F)ccc1[O-] ZINC000436561840 1025888489 /nfs/dbraw/zinc/88/84/89/1025888489.db2.gz KTZBVEIWSWZRDX-UHFFFAOYSA-N -1 1 337.778 3.726 20 0 EHADMM Cn1c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2nc1C1CC1 ZINC000436562180 1025889807 /nfs/dbraw/zinc/88/98/07/1025889807.db2.gz LUSWRQJJGXUIBB-UHFFFAOYSA-N -1 1 325.343 3.548 20 0 EHADMM O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000436568527 1025899453 /nfs/dbraw/zinc/89/94/53/1025899453.db2.gz UHTUBQLBFCZYSJ-SECBINFHSA-N -1 1 336.722 3.536 20 0 EHADMM COc1cc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000443321004 1025911241 /nfs/dbraw/zinc/91/12/41/1025911241.db2.gz 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O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnc2ccsc2c1 ZINC000525753578 1030098199 /nfs/dbraw/zinc/09/81/99/1030098199.db2.gz GDNZQMZSMZMAAM-UHFFFAOYSA-N -1 1 336.376 3.644 20 0 EHADMM COc1cncc(C=CCCSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000567843706 1030130989 /nfs/dbraw/zinc/13/09/89/1030130989.db2.gz IVUXCIWZJHUKGR-DUXPYHPUSA-N -1 1 339.367 3.719 20 0 EHADMM C[C@@H](c1ccccc1F)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447495795 1030229035 /nfs/dbraw/zinc/22/90/35/1030229035.db2.gz BGXPNXFNLHIQNY-NSHDSACASA-N -1 1 348.374 3.890 20 0 EHADMM C[C@@H](c1ccccc1F)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447495795 1030229036 /nfs/dbraw/zinc/22/90/36/1030229036.db2.gz BGXPNXFNLHIQNY-NSHDSACASA-N -1 1 348.374 3.890 20 0 EHADMM COc1ccc(Cl)c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000525950133 1030246486 /nfs/dbraw/zinc/24/64/86/1030246486.db2.gz YJXVQVLYBHFBET-UHFFFAOYSA-N -1 1 342.178 3.969 20 0 EHADMM CC(=O)c1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1C ZINC000583673830 1030441044 /nfs/dbraw/zinc/44/10/44/1030441044.db2.gz IIQXKRJFICYBIK-UHFFFAOYSA-N -1 1 335.363 3.546 20 0 EHADMM COc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)c([O-])c1 ZINC000122105144 1030499755 /nfs/dbraw/zinc/49/97/55/1030499755.db2.gz JGPRNQGNQUFMNL-UHFFFAOYSA-N -1 1 341.285 3.594 20 0 EHADMM O=C(Nc1c[nH]nc1-c1ccccn1)c1cc2ccccc2cc1[O-] ZINC000092760895 1030511506 /nfs/dbraw/zinc/51/15/06/1030511506.db2.gz DCLFZGHQZLFBCR-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM CC(C)CCc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)n[nH]1 ZINC000527043012 1030588325 /nfs/dbraw/zinc/58/83/25/1030588325.db2.gz HGSATATVBNIBDM-UHFFFAOYSA-N -1 1 333.413 3.545 20 0 EHADMM COc1cccc2c1CCN(C(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000193774514 1030619982 /nfs/dbraw/zinc/61/99/82/1030619982.db2.gz ZRJWFCIHJBRBDU-UHFFFAOYSA-N -1 1 347.414 3.795 20 0 EHADMM CC(C)c1nc(-c2ccccc2NC(=O)c2cc(F)ccc2[O-])n[nH]1 ZINC000094036308 1030708513 /nfs/dbraw/zinc/70/85/13/1030708513.db2.gz MTXQYKXYJQSEEP-UHFFFAOYSA-N -1 1 340.358 3.692 20 0 EHADMM COc1cc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc(Cl)c1[O-] ZINC000527482886 1030929200 /nfs/dbraw/zinc/92/92/00/1030929200.db2.gz SBVPENOFUFMDIO-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2ncnc3ccsc32)s1 ZINC000666968610 1031094296 /nfs/dbraw/zinc/09/42/96/1031094296.db2.gz SFBNIGPVESERFA-UHFFFAOYSA-N -1 1 333.442 3.528 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cscc2Cl)cc1 ZINC000903996779 1031596215 /nfs/dbraw/zinc/59/62/15/1031596215.db2.gz KKMVJWXQFJDDHD-CQSZACIVSA-N -1 1 325.817 3.716 20 0 EHADMM Cc1ccccc1COc1c(C)cc(CNC[C@H](F)C(=O)[O-])cc1C ZINC000904043886 1031661009 /nfs/dbraw/zinc/66/10/09/1031661009.db2.gz XHUMLMNAHZCXJF-SFHVURJKSA-N -1 1 345.414 3.703 20 0 EHADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2cccc(OC3CC3)c2F)c1 ZINC000904044822 1031664411 /nfs/dbraw/zinc/66/44/11/1031664411.db2.gz FHGGOZNFIIHRNK-QGZVFWFLSA-N -1 1 343.398 3.981 20 0 EHADMM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc([O-])cc1F ZINC000163813527 1031942688 /nfs/dbraw/zinc/94/26/88/1031942688.db2.gz 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C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1cn(-c2ccccc2)nn1 ZINC000685575076 1033584874 /nfs/dbraw/zinc/58/48/74/1033584874.db2.gz QYWSZFOACVNNIT-SECBINFHSA-N -1 1 349.366 3.554 20 0 EHADMM C[C@H]1CC[C@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000595017441 1033609864 /nfs/dbraw/zinc/60/98/64/1033609864.db2.gz WZEOKJJUUFQOII-CZIWCDLHSA-N -1 1 344.455 3.575 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cccc(OCc2cscn2)c1 ZINC000608366417 1033640209 /nfs/dbraw/zinc/64/02/09/1033640209.db2.gz JUJNMZDFPFNOJX-UHFFFAOYSA-N -1 1 344.367 3.819 20 0 EHADMM Cc1cc(C([O-])=C[S@](=O)Cc2cccc3ccccc32)c(C)n1C ZINC000603545337 1033755032 /nfs/dbraw/zinc/75/50/32/1033755032.db2.gz SXGMPJJGDICNFK-XMMPIXPASA-N -1 1 339.460 3.927 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1 ZINC000476415584 1033796046 /nfs/dbraw/zinc/79/60/46/1033796046.db2.gz CGIIQLRUZLEFJE-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3ccc4c(c3)CCO4)n2)c(Cl)c1 ZINC000445445958 1033912387 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CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000530035545 1034888808 /nfs/dbraw/zinc/88/88/08/1034888808.db2.gz BKNIFKUZLMJLRB-KRWDZBQOSA-N -1 1 341.382 3.509 20 0 EHADMM Cc1cnc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2(C)C)c([O-])c1 ZINC000530040630 1034903301 /nfs/dbraw/zinc/90/33/01/1034903301.db2.gz WRQBQONYOBIMLC-HNNXBMFYSA-N -1 1 328.387 3.643 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413953883 1035276669 /nfs/dbraw/zinc/27/66/69/1035276669.db2.gz KHAHFDHUHQWKLS-SFHVURJKSA-N -1 1 341.382 3.525 20 0 EHADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)nn1-c1ccc(F)cc1F ZINC000685863972 1035471627 /nfs/dbraw/zinc/47/16/27/1035471627.db2.gz KDCBTOVVNGDQNX-UHFFFAOYSA-N -1 1 347.296 3.556 20 0 EHADMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(F)ccc3[O-])C2)c1 ZINC000456921749 1035536256 /nfs/dbraw/zinc/53/62/56/1035536256.db2.gz KUDPFMQQFXWXJE-CTYIDZIISA-N -1 1 329.371 3.558 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2F)n[nH]c1-c1ccccc1 ZINC000534799998 1035632611 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O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cncc([O-])c1 ZINC000193205834 1036580309 /nfs/dbraw/zinc/58/03/09/1036580309.db2.gz KYHLEUPQPFYXBE-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccccc1[O-] ZINC000521482141 1036723884 /nfs/dbraw/zinc/72/38/84/1036723884.db2.gz DWPRTMYEYKTOAB-UHFFFAOYSA-N -1 1 329.359 3.959 20 0 EHADMM COC(C)(C)CS(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1F ZINC000666296912 1036768351 /nfs/dbraw/zinc/76/83/51/1036768351.db2.gz OQIVDBONGUYCAL-UHFFFAOYSA-N -1 1 337.416 3.659 20 0 EHADMM C[C@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@H]1C ZINC000177131449 1036774606 /nfs/dbraw/zinc/77/46/06/1036774606.db2.gz YBFQDKFPBTXMGU-RYUDHWBXSA-N -1 1 334.416 3.610 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccccn2)cc1 ZINC000685916529 1036840193 /nfs/dbraw/zinc/84/01/93/1036840193.db2.gz HBQOGNHUYAIPSY-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM CCCN(CC(=O)[O-])Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263432284 1036905165 /nfs/dbraw/zinc/90/51/65/1036905165.db2.gz 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CC(=O)c1cc(-c2nc(-c3ccc(C)c(C(F)(F)F)c3)no2)[n-]n1 ZINC001212429100 1128578913 /nfs/dbraw/zinc/57/89/13/1128578913.db2.gz ACRFKMONGWZAQX-UHFFFAOYSA-N -1 1 336.273 3.657 20 0 EHADMM CN(c1cc(F)c([O-])c(Cl)c1)c1ncc(C(F)(F)F)cc1N ZINC001214482958 1128860215 /nfs/dbraw/zinc/86/02/15/1128860215.db2.gz WTVRMKQNRJYAFS-UHFFFAOYSA-N -1 1 335.688 3.949 20 0 EHADMM O=C(Nc1ccc2occc2c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC001648847157 1120053733 /nfs/dbraw/zinc/05/37/33/1120053733.db2.gz KLDOQXZUXXOEKD-UHFFFAOYSA-N -1 1 331.331 3.639 20 0 EHADMM CC[C@@H](NCC(C)=Cc1ccc(Cl)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904066089 1120351946 /nfs/dbraw/zinc/35/19/46/1120351946.db2.gz XHNSBYCSNVHDHU-BMGYJQCNSA-N -1 1 333.819 3.906 20 0 EHADMM CCc1cc(Br)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000219744253 1120447379 /nfs/dbraw/zinc/44/73/79/1120447379.db2.gz FNJFAEQERMSIMM-UHFFFAOYSA-N -1 1 336.185 3.675 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2)cc1F ZINC000187070777 1120485383 /nfs/dbraw/zinc/48/53/83/1120485383.db2.gz GRYYCAUUFSKNHO-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COC(=O)c1c[n-]c(SCc2coc(-c3cccc(Cl)c3)n2)n1 ZINC000187588970 1120504330 /nfs/dbraw/zinc/50/43/30/1120504330.db2.gz IHBKHZFIAWDYPT-UHFFFAOYSA-N -1 1 349.799 3.797 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)=O)c(Cl)c1 ZINC000187632642 1120505862 /nfs/dbraw/zinc/50/58/62/1120505862.db2.gz GWPLGAVLGKUAMA-UHFFFAOYSA-N -1 1 337.828 3.906 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2snnc2C(C)(C)C)s1 ZINC000188992438 1120522112 /nfs/dbraw/zinc/52/21/12/1120522112.db2.gz CAEWJMTYMIWPAY-UHFFFAOYSA-N -1 1 339.490 3.672 20 0 EHADMM Cc1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)no1 ZINC000191837511 1120698382 /nfs/dbraw/zinc/69/83/82/1120698382.db2.gz FTLKUIAAMRMGDH-UHFFFAOYSA-N -1 1 326.337 3.500 20 0 EHADMM Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1C(=O)N(C)C ZINC000192234193 1120727065 /nfs/dbraw/zinc/72/70/65/1120727065.db2.gz UZLSXGNWEAIZJP-UHFFFAOYSA-N -1 1 347.802 3.700 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cncc(Br)c1 ZINC000192239174 1120727119 /nfs/dbraw/zinc/72/71/19/1120727119.db2.gz GOVDZUIVRXRFIF-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM CCCN(C(=O)c1ncc(C)cc1[O-])[C@H](C)c1ccccc1OC ZINC000494822852 1120867973 /nfs/dbraw/zinc/86/79/73/1120867973.db2.gz WLTGNCUULXTGGN-CQSZACIVSA-N -1 1 328.412 3.718 20 0 EHADMM CC(C)(C)Oc1ccc(NC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000495047689 1120937958 /nfs/dbraw/zinc/93/79/58/1120937958.db2.gz OTRJEXZDXJWTTJ-UHFFFAOYSA-N -1 1 331.441 3.569 20 0 EHADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000231328757 1121028453 /nfs/dbraw/zinc/02/84/53/1121028453.db2.gz PZHWEKIWPQMHOX-WDEREUQCSA-N -1 1 326.234 3.711 20 0 EHADMM CC[C@H]1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000231348332 1121029698 /nfs/dbraw/zinc/02/96/98/1121029698.db2.gz OISNIKJKPOEULK-JQWIXIFHSA-N -1 1 326.234 3.853 20 0 EHADMM CCOc1cc(C(=O)Oc2cccc(NC(C)=O)c2)cc(Cl)c1[O-] ZINC000762555173 1121356061 /nfs/dbraw/zinc/35/60/61/1121356061.db2.gz NTOURVGDQYJFIU-UHFFFAOYSA-N -1 1 349.770 3.622 20 0 EHADMM Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C2CCCC2)cc1 ZINC001212457750 1128986712 /nfs/dbraw/zinc/98/67/12/1128986712.db2.gz OXROGFPDQJJMRH-UHFFFAOYSA-N -1 1 334.416 3.866 20 0 EHADMM CC1=C[C@@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000495853622 1121546787 /nfs/dbraw/zinc/54/67/87/1121546787.db2.gz ANQKLTVTPLLQAJ-GFCCVEGCSA-N -1 1 346.427 3.777 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000316487636 1121567260 /nfs/dbraw/zinc/56/72/60/1121567260.db2.gz VEFRKVDUGFVRCT-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM [O-]c1cccc(CNc2ccc(OCC(F)(F)F)nc2)c1Cl ZINC000328186309 1122064486 /nfs/dbraw/zinc/06/44/86/1122064486.db2.gz BVHFVFSUGHOOJY-UHFFFAOYSA-N -1 1 332.709 3.994 20 0 EHADMM CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000126441170 1122406552 /nfs/dbraw/zinc/40/65/52/1122406552.db2.gz YOQMIJKFQCQYEO-UHFFFAOYSA-N -1 1 334.375 3.547 20 0 EHADMM CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])[C@H]1CC1(C)C ZINC000497253610 1122420657 /nfs/dbraw/zinc/42/06/57/1122420657.db2.gz OXWANRQHQIOFKF-AWEZNQCLSA-N -1 1 334.416 3.610 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C)n1 ZINC000128733705 1122657537 /nfs/dbraw/zinc/65/75/37/1122657537.db2.gz RGSXZKBEKRFYQD-UHFFFAOYSA-N -1 1 348.321 3.657 20 0 EHADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(F)c(F)c1 ZINC000497946479 1122710498 /nfs/dbraw/zinc/71/04/98/1122710498.db2.gz PLXXKJFLXQHAGX-UHFFFAOYSA-N -1 1 339.363 3.554 20 0 EHADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H](C)c1ccc(C)o1 ZINC000672816453 1129078721 /nfs/dbraw/zinc/07/87/21/1129078721.db2.gz RBSBJVPRLKVDHP-CQSZACIVSA-N -1 1 329.396 3.866 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2cccc(F)c2C(F)(F)F)no1 ZINC001212481005 1129086207 /nfs/dbraw/zinc/08/62/07/1129086207.db2.gz UXCPHEKPIPMZNW-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM CCc1cc(Br)ccc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480940 1129086917 /nfs/dbraw/zinc/08/69/17/1129086917.db2.gz QOMQZFADFKVTJT-UHFFFAOYSA-N -1 1 346.184 3.829 20 0 EHADMM COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000131953011 1123192713 /nfs/dbraw/zinc/19/27/13/1123192713.db2.gz ZVELXCZRHRXIBU-GFCCVEGCSA-N -1 1 333.815 3.757 20 0 EHADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc(Cl)cc1 ZINC000132755335 1123296835 /nfs/dbraw/zinc/29/68/35/1123296835.db2.gz SJNVTNOEKVJQFX-UHFFFAOYSA-N -1 1 334.784 3.796 20 0 EHADMM CCCOc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1OC ZINC000920444993 1123369358 /nfs/dbraw/zinc/36/93/58/1123369358.db2.gz GMGMNIIXKPAREC-UHFFFAOYSA-N -1 1 349.814 3.773 20 0 EHADMM Cc1sc2[n-]c(-c3ncc(C)cn3)nc(=O)c2c1-c1ccccc1 ZINC000133646225 1123411549 /nfs/dbraw/zinc/41/15/49/1123411549.db2.gz PSPODGSEDIYEGP-UHFFFAOYSA-N -1 1 334.404 3.725 20 0 EHADMM Cc1ccc(-c2csc3[n-]c(-c4ncc(C)cn4)nc(=O)c23)cc1 ZINC000133643829 1123411561 /nfs/dbraw/zinc/41/15/61/1123411561.db2.gz CIINHWKGTZUSQJ-UHFFFAOYSA-N -1 1 334.404 3.725 20 0 EHADMM CCc1nc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cs1 ZINC000135097014 1123581991 /nfs/dbraw/zinc/58/19/91/1123581991.db2.gz IBPSVEBENAKOSZ-QMMMGPOBSA-N -1 1 340.832 3.564 20 0 EHADMM CCOc1ccc(F)c([N-]C(=O)c2cc(CSCC)on2)c1F ZINC000350625516 1123624267 /nfs/dbraw/zinc/62/42/67/1123624267.db2.gz KZYMQUMPEKQHTC-UHFFFAOYSA-N -1 1 342.367 3.857 20 0 EHADMM COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2[O-])cc1O ZINC000135520248 1123625394 /nfs/dbraw/zinc/62/53/94/1123625394.db2.gz AUNKTEPHMWPVRC-UHFFFAOYSA-N -1 1 337.375 3.532 20 0 EHADMM CC[C@H]1CCCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000135647298 1123635042 /nfs/dbraw/zinc/63/50/42/1123635042.db2.gz PCXHVOWBQDKZNY-LBPRGKRZSA-N -1 1 326.234 3.950 20 0 EHADMM Cc1ccc(Cl)cc1N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263575668 1124642407 /nfs/dbraw/zinc/64/24/07/1124642407.db2.gz PJVVPYJDXVANPS-UHFFFAOYSA-N -1 1 344.842 3.669 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCc3ccc(O)cc32)cc(Cl)c1[O-] ZINC000618970855 1125252184 /nfs/dbraw/zinc/25/21/84/1125252184.db2.gz VJRIIDBTOVVLLE-OAHLLOKOSA-N -1 1 347.798 3.567 20 0 EHADMM N#CC(=C([O-])c1cccc(Cl)n1)c1nc2ccccc2n1C(F)F ZINC000182852639 1125382969 /nfs/dbraw/zinc/38/29/69/1125382969.db2.gz HNQYWCDZXCBGGE-VIFPVBQESA-N -1 1 346.724 3.970 20 0 EHADMM C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000619924832 1125428909 /nfs/dbraw/zinc/42/89/09/1125428909.db2.gz KKEFRCKYQLTGFT-NSHDSACASA-N -1 1 343.345 3.585 20 0 EHADMM CCc1nc(C(=O)[N-]c2nnc([C@H](CC)c3ccccc3)s2)co1 ZINC000153185854 1125449253 /nfs/dbraw/zinc/44/92/53/1125449253.db2.gz UHOZWXOOVMEQFH-GFCCVEGCSA-N -1 1 342.424 3.883 20 0 EHADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1F ZINC000543164628 1129304454 /nfs/dbraw/zinc/30/44/54/1129304454.db2.gz RSBDITITLNJHIE-UHFFFAOYSA-N -1 1 347.383 3.935 20 0 EHADMM CSc1c(F)cc([N-]S(=O)(=O)c2cccc(F)c2C)cc1F ZINC000543165162 1129307393 /nfs/dbraw/zinc/30/73/93/1129307393.db2.gz SCAGBTYMDVESKS-UHFFFAOYSA-N -1 1 347.383 3.935 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc3c(cccc3Cl)s2)n1 ZINC001128847374 1130207185 /nfs/dbraw/zinc/20/71/85/1130207185.db2.gz PZRADQJGAUEPQM-UHFFFAOYSA-N -1 1 349.799 3.707 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000676055773 1130520294 /nfs/dbraw/zinc/52/02/94/1130520294.db2.gz NRYRVNAIBXGBDO-UHFFFAOYSA-N -1 1 348.761 3.564 20 0 EHADMM COc1ccc(-c2nsc([N-]C(=O)c3ncoc3C(C)C)n2)cc1 ZINC000731989112 1130875825 /nfs/dbraw/zinc/87/58/25/1130875825.db2.gz QDASIMVNEJZKCI-UHFFFAOYSA-N -1 1 344.396 3.577 20 0 EHADMM Cc1ccn(-c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2)n1 ZINC000732308895 1130908578 /nfs/dbraw/zinc/90/85/78/1130908578.db2.gz HUHPZMQKMAJEGZ-UHFFFAOYSA-N -1 1 327.771 3.792 20 0 EHADMM CCc1nnc([C@H](C)OC(=O)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000732341386 1130916031 /nfs/dbraw/zinc/91/60/31/1130916031.db2.gz JTHHTTVGFRNLAP-LURJTMIESA-N -1 1 331.155 3.562 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](c2ccccc2)C2CC2)c1 ZINC000766206407 1131193037 /nfs/dbraw/zinc/19/30/37/1131193037.db2.gz WHBMUVCLGQQFKZ-FQEVSTJZSA-N -1 1 338.403 3.874 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)c(F)c1 ZINC000766217821 1131420332 /nfs/dbraw/zinc/42/03/32/1131420332.db2.gz FNRRIYXHBWFQQT-UHFFFAOYSA-N -1 1 348.713 3.648 20 0 EHADMM COc1ccc([C@@H](C)CCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000743628498 1131956420 /nfs/dbraw/zinc/95/64/20/1131956420.db2.gz ROLYTMJEMKXBNG-LBPRGKRZSA-N -1 1 333.815 3.978 20 0 EHADMM COc1ccc(-c2noc(-c3ccncc3[O-])n2)cc1C(F)(F)F ZINC001212721443 1132056753 /nfs/dbraw/zinc/05/67/53/1132056753.db2.gz QRXGLTGDRXRKMH-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=Cc2cccc(F)c2)c1 ZINC000744490338 1132103917 /nfs/dbraw/zinc/10/39/17/1132103917.db2.gz PZMDHMOZQDIYJZ-VMPITWQZSA-N -1 1 328.339 3.533 20 0 EHADMM CC[C@H](C(=O)OCCc1cc(C(C)=O)ccc1[O-])c1ccccc1 ZINC000744467019 1132105824 /nfs/dbraw/zinc/10/58/24/1132105824.db2.gz YRPHPNGARJGHRC-SFHVURJKSA-N -1 1 326.392 3.874 20 0 EHADMM COC(=O)c1cc(Br)c([O-])c(Nc2cccc(F)c2)c1 ZINC001173836392 1132163693 /nfs/dbraw/zinc/16/36/93/1132163693.db2.gz NLYAVPNPDOYUEA-UHFFFAOYSA-N -1 1 340.148 3.824 20 0 EHADMM CCS(=O)(=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001174464158 1132377164 /nfs/dbraw/zinc/37/71/64/1132377164.db2.gz KIVBOQWXCLKUHH-UHFFFAOYSA-N -1 1 329.780 3.722 20 0 EHADMM COc1ccc(Cn2cc(Nc3ccnc(Cl)c3[O-])c(C)n2)cc1 ZINC001174577535 1132405081 /nfs/dbraw/zinc/40/50/81/1132405081.db2.gz JOLYYHYRLIXSPJ-UHFFFAOYSA-N -1 1 344.802 3.746 20 0 EHADMM O=C(OCCOc1ccccc1Cl)c1c([O-])cc(F)cc1F ZINC000749277534 1132449105 /nfs/dbraw/zinc/44/91/05/1132449105.db2.gz DFGKYLUHMLKQLQ-UHFFFAOYSA-N -1 1 328.698 3.560 20 0 EHADMM c1coc(-c2nnc([N-]c3cccc(O[C@H]4CCCCO4)c3)o2)c1 ZINC001175183933 1132591359 /nfs/dbraw/zinc/59/13/59/1132591359.db2.gz SVBMJGJRVZTQMT-HNNXBMFYSA-N -1 1 327.340 3.979 20 0 EHADMM CC(C)OC(=O)c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001175259178 1132619976 /nfs/dbraw/zinc/61/99/76/1132619976.db2.gz NPNVSULZDPKKDF-UHFFFAOYSA-N -1 1 337.379 3.887 20 0 EHADMM C[S@](=O)c1ccc(Nc2ccc(F)c(Br)c2[O-])cc1 ZINC001175479844 1132679235 /nfs/dbraw/zinc/67/92/35/1132679235.db2.gz TXSUZRAXFWWKKR-IBGZPJMESA-N -1 1 344.205 3.775 20 0 EHADMM Cc1ccc(F)c(CN(C)Cn2[n-]c(-c3ccccn3)nc2=S)c1 ZINC000766634936 1132706532 /nfs/dbraw/zinc/70/65/32/1132706532.db2.gz RDHWHALSRLCMOD-UHFFFAOYSA-N -1 1 343.431 3.540 20 0 EHADMM COc1cccc([C@@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2(C)C)c1 ZINC001176416056 1132933593 /nfs/dbraw/zinc/93/35/93/1132933593.db2.gz MHGLLPDCCVGYQV-INIZCTEOSA-N -1 1 340.423 3.513 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2nnc(-c3cccc(F)c3)o2)[n-]1 ZINC000767088904 1132947106 /nfs/dbraw/zinc/94/71/06/1132947106.db2.gz UXOYLZUDGLJYBK-UHFFFAOYSA-N -1 1 344.371 3.541 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccc(-c3cc(CO)on3)cc2)c1F ZINC001176672962 1132979327 /nfs/dbraw/zinc/97/93/27/1132979327.db2.gz CASINQMSHPGWRL-UHFFFAOYSA-N -1 1 336.269 3.700 20 0 EHADMM C[C@H]1Cc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2N(C)C1=O ZINC001176671720 1132979626 /nfs/dbraw/zinc/97/96/26/1132979626.db2.gz CHCDEDILZHGFIQ-QMMMGPOBSA-N -1 1 336.313 3.708 20 0 EHADMM COC(=O)c1cc(C)c(Nc2c(F)cc(F)c([O-])c2F)c(C)c1 ZINC001176672077 1132979984 /nfs/dbraw/zinc/97/99/84/1132979984.db2.gz DDYWQSZMBQYAJN-UHFFFAOYSA-N -1 1 325.286 3.957 20 0 EHADMM O=C(Nc1ccc(OCc2cccnc2)cc1)c1ccc([O-])c(F)c1 ZINC000767954407 1133076811 /nfs/dbraw/zinc/07/68/11/1133076811.db2.gz LLYJFZKRAKOEKQ-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc([O-])c(F)c1 ZINC000768257229 1133118582 /nfs/dbraw/zinc/11/85/82/1133118582.db2.gz MUQASDQEGYULEP-OAHLLOKOSA-N -1 1 327.355 3.708 20 0 EHADMM O=C(C=Cc1cc2ccccc2o1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001178756233 1133196599 /nfs/dbraw/zinc/19/65/99/1133196599.db2.gz VZTLJTGFFHUZAV-ZHACJKMWSA-N -1 1 345.358 3.976 20 0 EHADMM CCSc1ccccc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784968 1133199089 /nfs/dbraw/zinc/19/90/89/1133199089.db2.gz MCZNPAYJFMDKEG-UHFFFAOYSA-N -1 1 337.391 3.755 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc(Br)o1 ZINC001179656210 1133267417 /nfs/dbraw/zinc/26/74/17/1133267417.db2.gz OXXZZRRPPDDDTL-UHFFFAOYSA-N -1 1 334.528 3.793 20 0 EHADMM CC(C)C(C)(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769754752 1133336841 /nfs/dbraw/zinc/33/68/41/1133336841.db2.gz ZMDOYZWTWMPTEF-UHFFFAOYSA-N -1 1 336.432 3.904 20 0 EHADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H]1CC1CCCCC1 ZINC000773876745 1133414090 /nfs/dbraw/zinc/41/40/90/1133414090.db2.gz CKGICRZQYIAQDY-HNNXBMFYSA-N -1 1 344.484 3.593 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2c(Cl)nc3ccccn32)no1 ZINC000771335356 1133543237 /nfs/dbraw/zinc/54/32/37/1133543237.db2.gz ZODVDTICYSEHMX-UHFFFAOYSA-N -1 1 330.706 3.549 20 0 EHADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000771384593 1133550849 /nfs/dbraw/zinc/55/08/49/1133550849.db2.gz OEHZAECVNUMUQA-MGPLVRAMSA-N -1 1 337.778 3.691 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000771760038 1133596463 /nfs/dbraw/zinc/59/64/63/1133596463.db2.gz PUNMMDGIVROSAZ-HNNXBMFYSA-N -1 1 339.439 3.766 20 0 EHADMM N=C([N-]C(=O)C(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001182897071 1133746231 /nfs/dbraw/zinc/74/62/31/1133746231.db2.gz PRZMINJGXCGFLP-UHFFFAOYSA-N -1 1 344.842 3.833 20 0 EHADMM COC(=O)c1cc(C(F)(F)F)ncc1-c1cccc([O-])c1Cl ZINC001242800725 1133748336 /nfs/dbraw/zinc/74/83/36/1133748336.db2.gz MKZOCYOFKCMCFX-UHFFFAOYSA-N -1 1 331.677 3.913 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)[C@@H]1CC12CCC(F)(F)CC2 ZINC001183549048 1133822880 /nfs/dbraw/zinc/82/28/80/1133822880.db2.gz XOQCIIJRLUUMLP-ZDUSSCGKSA-N -1 1 347.365 3.732 20 0 EHADMM Cc1ccccc1CCN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC001183571905 1133827979 /nfs/dbraw/zinc/82/79/79/1133827979.db2.gz MTUVJDAOXKVWRA-UHFFFAOYSA-N -1 1 348.240 3.778 20 0 EHADMM CCC[C@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)OCC ZINC001184059880 1133891982 /nfs/dbraw/zinc/89/19/82/1133891982.db2.gz HYSYEASOOZDAOR-GFCCVEGCSA-N -1 1 336.819 3.529 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2nc(C(C)C)ns2)c([O-])c1 ZINC001184225731 1133911991 /nfs/dbraw/zinc/91/19/91/1133911991.db2.gz FLHODEXPSREERW-UHFFFAOYSA-N -1 1 335.429 3.798 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC001185227837 1134052991 /nfs/dbraw/zinc/05/29/91/1134052991.db2.gz RHFVHXVMADECTA-UHFFFAOYSA-N -1 1 344.392 3.541 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1cc(Cl)ccc1F ZINC001185233302 1134054378 /nfs/dbraw/zinc/05/43/78/1134054378.db2.gz UGBYAXHFKMHXCI-UHFFFAOYSA-N -1 1 339.819 3.837 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3cccnc3c2)ccc1Cl ZINC001185521538 1134102279 /nfs/dbraw/zinc/10/22/79/1134102279.db2.gz VRROQMXXTVLBAP-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM Cc1cc2c([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)cccc2nn1 ZINC001185525118 1134103151 /nfs/dbraw/zinc/10/31/51/1134103151.db2.gz RCPPQLSFONWBTK-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2CO)ccc1Cl ZINC001185530105 1134104652 /nfs/dbraw/zinc/10/46/52/1134104652.db2.gz SQKOQZYACLQJFY-UHFFFAOYSA-N -1 1 346.235 3.595 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)c(F)c1 ZINC001185833102 1134138639 /nfs/dbraw/zinc/13/86/39/1134138639.db2.gz FKSKKOJPGWDHBP-UHFFFAOYSA-N -1 1 339.407 3.875 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1-c1ccncc1 ZINC001185836814 1134139461 /nfs/dbraw/zinc/13/94/61/1134139461.db2.gz MYNBQOOHEYNECK-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM C[C@H](CCc1ccccc1)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001186015425 1134159395 /nfs/dbraw/zinc/15/93/95/1134159395.db2.gz ROQMFVIUIQILIT-OAHLLOKOSA-N -1 1 335.407 3.785 20 0 EHADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1ccccc1 ZINC001186509599 1134226796 /nfs/dbraw/zinc/22/67/96/1134226796.db2.gz DTBIPGQDZBFDEN-QGZVFWFLSA-N -1 1 345.445 3.510 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ccnc(-c3ccccc3)c2)c1 ZINC001170113227 1134303067 /nfs/dbraw/zinc/30/30/67/1134303067.db2.gz WJWSJPZWCMOQJV-UHFFFAOYSA-N -1 1 346.386 3.505 20 0 EHADMM CCOCCS(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC001187284022 1134319986 /nfs/dbraw/zinc/31/99/86/1134319986.db2.gz WXALIYRUKDAEAH-UHFFFAOYSA-N -1 1 337.466 3.616 20 0 EHADMM O=C(Nc1ccc(F)c(Cl)c1)Nc1cc2ccc([O-])cc2oc1=O ZINC001187672032 1134364503 /nfs/dbraw/zinc/36/45/03/1134364503.db2.gz JSYIIDHDCHNMNW-UHFFFAOYSA-N -1 1 348.717 3.935 20 0 EHADMM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cncc(Cl)n1 ZINC000790544076 1134438588 /nfs/dbraw/zinc/43/85/88/1134438588.db2.gz NXKHGONNUDYDKF-UHFFFAOYSA-N -1 1 347.749 3.879 20 0 EHADMM O=C(Nc1cnc2cc(Cl)ccc2c1)c1ncc(C(F)(F)F)[n-]1 ZINC001188281442 1134449319 /nfs/dbraw/zinc/44/93/19/1134449319.db2.gz WGCBEPAJKGTEKJ-UHFFFAOYSA-N -1 1 340.692 3.882 20 0 EHADMM O=C(Nc1cnc2cc(Cl)ccc2c1)c1nc(C(F)(F)F)c[n-]1 ZINC001188281442 1134449322 /nfs/dbraw/zinc/44/93/22/1134449322.db2.gz WGCBEPAJKGTEKJ-UHFFFAOYSA-N -1 1 340.692 3.882 20 0 EHADMM COc1ccc(NC(=O)Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001188470185 1134469730 /nfs/dbraw/zinc/46/97/30/1134469730.db2.gz VHYXGOCTVAVJMN-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM CCc1ccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)c(O)c1 ZINC001188585677 1134484579 /nfs/dbraw/zinc/48/45/79/1134484579.db2.gz GOFGLRRXTHLNRD-UHFFFAOYSA-N -1 1 325.286 3.931 20 0 EHADMM O=C(Nc1cccc2c1OCCC2)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588779 1134485742 /nfs/dbraw/zinc/48/57/42/1134485742.db2.gz IZKWIHYBJUIMJM-UHFFFAOYSA-N -1 1 337.297 3.988 20 0 EHADMM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1ccc(C(F)F)cn1 ZINC001189075534 1134542304 /nfs/dbraw/zinc/54/23/04/1134542304.db2.gz XOFPVVQFUNDYGJ-UHFFFAOYSA-N -1 1 346.786 3.657 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)C)c1 ZINC001189235192 1134554993 /nfs/dbraw/zinc/55/49/93/1134554993.db2.gz IPAREUYJVZYQBX-UHFFFAOYSA-N -1 1 335.400 3.953 20 0 EHADMM COc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189310364 1134568525 /nfs/dbraw/zinc/56/85/25/1134568525.db2.gz REHMDOPNCSRERL-UHFFFAOYSA-N -1 1 347.770 3.569 20 0 EHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)n1 ZINC001189357337 1134580478 /nfs/dbraw/zinc/58/04/78/1134580478.db2.gz VVDYNGZZMWYRKQ-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM Cc1nn(-c2ccccc2)c(Cl)c1CSc1ncc(C)c(=O)[n-]1 ZINC001189399179 1134582753 /nfs/dbraw/zinc/58/27/53/1134582753.db2.gz FTVXJVHYMVDCJF-UHFFFAOYSA-N -1 1 346.843 3.930 20 0 EHADMM CCc1cccc(CC)c1NC(=O)Nc1cc(=O)[n-]c(SC)n1 ZINC001189745360 1134620056 /nfs/dbraw/zinc/62/00/56/1134620056.db2.gz KNMOCSHYJGTELE-UHFFFAOYSA-N -1 1 332.429 3.673 20 0 EHADMM C[C@H]1CN(C(=O)c2cnc(-c3ccccc3)[n-]c2=O)Cc2ccccc21 ZINC001190261680 1134674216 /nfs/dbraw/zinc/67/42/16/1134674216.db2.gz XSIXPKDHAHPNGL-AWEZNQCLSA-N -1 1 345.402 3.609 20 0 EHADMM O=C(Nc1ccc2ccncc2c1)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190269749 1134675251 /nfs/dbraw/zinc/67/52/51/1134675251.db2.gz HMOHCYRPXYRDDR-UHFFFAOYSA-N -1 1 342.358 3.650 20 0 EHADMM Cc1nc(C(F)(F)F)c(C(=O)[N-]c2nsc3ncccc23)s1 ZINC001190489080 1134701606 /nfs/dbraw/zinc/70/16/06/1134701606.db2.gz SRQRUCCRYKCDKL-UHFFFAOYSA-N -1 1 344.343 3.727 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(CO)c2)cc1 ZINC001190447639 1134702960 /nfs/dbraw/zinc/70/29/60/1134702960.db2.gz MXQTYTCFISQBQB-UHFFFAOYSA-N -1 1 347.480 3.976 20 0 EHADMM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(C2CC2)cc1 ZINC001190469184 1134706181 /nfs/dbraw/zinc/70/61/81/1134706181.db2.gz HWTDBKXXJTZJBZ-UHFFFAOYSA-N -1 1 328.437 3.639 20 0 EHADMM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500570 1134706676 /nfs/dbraw/zinc/70/66/76/1134706676.db2.gz WNPQWNUWUIYELH-UHFFFAOYSA-N -1 1 326.421 3.857 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)ccc2o1 ZINC001190499514 1134707113 /nfs/dbraw/zinc/70/71/13/1134707113.db2.gz BJIYKCBUUNYEFP-UHFFFAOYSA-N -1 1 328.393 3.814 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)cc(C(F)(F)F)c1)c1ccncc1 ZINC001190845046 1134758060 /nfs/dbraw/zinc/75/80/60/1134758060.db2.gz CDUUAEKEGQHWCS-UHFFFAOYSA-N -1 1 336.722 3.555 20 0 EHADMM COc1cc(C(=O)Nc2ccc3c(ccn3C)c2)cc(Cl)c1[O-] ZINC001191148156 1134801330 /nfs/dbraw/zinc/80/13/30/1134801330.db2.gz XMGOUFLNSCSIEN-UHFFFAOYSA-N -1 1 330.771 3.798 20 0 EHADMM COc1cc(C(=O)N[C@H](C)c2cc(F)cc(F)c2)cc(Cl)c1[O-] ZINC001191156492 1134804275 /nfs/dbraw/zinc/80/42/75/1134804275.db2.gz ZIZHQTSMAUDJNL-MRVPVSSYSA-N -1 1 341.741 3.823 20 0 EHADMM COc1cc(C(=O)Nc2cc(C)nn2C2CCC2)cc(Cl)c1[O-] ZINC001191139880 1134810617 /nfs/dbraw/zinc/81/06/17/1134810617.db2.gz WTRQVMDZJAIUCC-UHFFFAOYSA-N -1 1 335.791 3.536 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2nc(F)c(F)cc2F)cc1 ZINC001191225492 1134830777 /nfs/dbraw/zinc/83/07/77/1134830777.db2.gz ZIKGWFITEOFKSB-UHFFFAOYSA-N -1 1 344.358 3.642 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2nc(C)cnc2Cl)cc1 ZINC001191234008 1134832754 /nfs/dbraw/zinc/83/27/54/1134832754.db2.gz WMEGQXUIVJBNFD-UHFFFAOYSA-N -1 1 339.848 3.582 20 0 EHADMM Cc1c(F)ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1Cl ZINC001191353469 1134847228 /nfs/dbraw/zinc/84/72/28/1134847228.db2.gz CDIKSUOVBDKIDE-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM Cc1ccc(F)cc1NC(=O)Nc1nc(Br)ccc1[O-] ZINC001191371683 1134858526 /nfs/dbraw/zinc/85/85/26/1134858526.db2.gz DECXYYBUVVMDBC-UHFFFAOYSA-N -1 1 340.152 3.641 20 0 EHADMM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccnc1Cl ZINC001191653009 1134899934 /nfs/dbraw/zinc/89/99/34/1134899934.db2.gz WAXHSLPXWQECDQ-UHFFFAOYSA-N -1 1 340.832 3.668 20 0 EHADMM CC(C)c1cccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)n1 ZINC001191865857 1134938102 /nfs/dbraw/zinc/93/81/02/1134938102.db2.gz HMKCOGOPNCIAGO-UHFFFAOYSA-N -1 1 342.823 3.939 20 0 EHADMM CC[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)c(F)c1 ZINC001192556045 1135029772 /nfs/dbraw/zinc/02/97/72/1135029772.db2.gz KQCMWGKQXJFQNZ-GFCCVEGCSA-N -1 1 327.277 3.830 20 0 EHADMM CC(C)(C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc(Cl)c1 ZINC001129758264 1135151781 /nfs/dbraw/zinc/15/17/81/1135151781.db2.gz SDJJIRQNOOKMKJ-UHFFFAOYSA-N -1 1 345.830 3.631 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)cc1 ZINC001193757520 1135182720 /nfs/dbraw/zinc/18/27/20/1135182720.db2.gz XLXLKCZEIKZBCI-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CO)c(F)c2)c2ccccc12 ZINC001193861848 1135197505 /nfs/dbraw/zinc/19/75/05/1135197505.db2.gz JOHVCXWIDLSSSQ-UHFFFAOYSA-N -1 1 345.395 3.580 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2C)c2ccccc12 ZINC001193865272 1135198547 /nfs/dbraw/zinc/19/85/47/1135198547.db2.gz WRCHVXNFIXXBED-UHFFFAOYSA-N -1 1 327.405 3.963 20 0 EHADMM O=S(=O)(Cc1noc2ccccc21)[N-]c1ccc(Cl)c(F)c1 ZINC001194091138 1135231543 /nfs/dbraw/zinc/23/15/43/1135231543.db2.gz CGIFMVJMNPEZFW-UHFFFAOYSA-N -1 1 340.763 3.562 20 0 EHADMM COc1ccc(OC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001194533187 1135281832 /nfs/dbraw/zinc/28/18/32/1135281832.db2.gz PYYZAZRNFIYBIH-UHFFFAOYSA-N -1 1 338.157 3.774 20 0 EHADMM O=C1CCC(S(=O)(=O)[N-]c2cc(-c3ccccc3)cs2)CC1 ZINC001194759237 1135318973 /nfs/dbraw/zinc/31/89/73/1135318973.db2.gz IKNJKVZVUCAFAQ-UHFFFAOYSA-N -1 1 335.450 3.669 20 0 EHADMM O=S(=O)([N-]C[C@]12C[C@H]1CCCC2)c1cc(Cl)sc1Cl ZINC001194820293 1135326219 /nfs/dbraw/zinc/32/62/19/1135326219.db2.gz BJZBYHZSVGESNR-PELKAZGASA-N -1 1 340.297 3.914 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001195072887 1135363605 /nfs/dbraw/zinc/36/36/05/1135363605.db2.gz XQHQKDQHBXMPIY-UHFFFAOYSA-N -1 1 342.320 3.779 20 0 EHADMM COCOc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195159049 1135384736 /nfs/dbraw/zinc/38/47/36/1135384736.db2.gz LNDDCLIRHGBGOE-UHFFFAOYSA-N -1 1 335.425 3.594 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C3(C)COC3)cc2)c1 ZINC001195168926 1135386286 /nfs/dbraw/zinc/38/62/86/1135386286.db2.gz BZRCKTRBFRYSPI-UHFFFAOYSA-N -1 1 345.464 3.899 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)cc3ncccc32)n1 ZINC001195329948 1135405403 /nfs/dbraw/zinc/40/54/03/1135405403.db2.gz JWHXBLLMFPVJKB-UHFFFAOYSA-N -1 1 347.296 3.915 20 0 EHADMM O=C(NC1c2ccccc2-c2ccccc21)c1cc([O-])cnc1Cl ZINC001195312804 1135412004 /nfs/dbraw/zinc/41/20/04/1135412004.db2.gz KEZBDWUFAWDVPF-UHFFFAOYSA-N -1 1 336.778 3.940 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2cccc(CCc3ccccn3)c2)n1 ZINC001195315374 1135412830 /nfs/dbraw/zinc/41/28/30/1135412830.db2.gz PWXAOVHNAYNRJC-UHFFFAOYSA-N -1 1 333.391 3.528 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)c(Br)c1 ZINC001195487380 1135432093 /nfs/dbraw/zinc/43/20/93/1135432093.db2.gz VOVQQOATGUELHX-UHFFFAOYSA-N -1 1 337.626 3.545 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)cc(OC(F)(F)F)c1 ZINC001195486463 1135432153 /nfs/dbraw/zinc/43/21/53/1135432153.db2.gz FQRNSXMAOVQZNX-UHFFFAOYSA-N -1 1 342.726 3.682 20 0 EHADMM O=C([N-]c1cccc(Br)c1F)c1ocnc1C(F)F ZINC001130981889 1135551501 /nfs/dbraw/zinc/55/15/01/1135551501.db2.gz GQZAOECZCQSBTR-UHFFFAOYSA-N -1 1 335.079 3.766 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c(Cl)c1 ZINC001196387344 1135553401 /nfs/dbraw/zinc/55/34/01/1135553401.db2.gz NUFWYYLJQSSHAB-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)ccnc2C(C)C)c(C)c1 ZINC001196857546 1135623734 /nfs/dbraw/zinc/62/37/34/1135623734.db2.gz YCOONBYDVLXOMF-UHFFFAOYSA-N -1 1 348.468 3.940 20 0 EHADMM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]C1(C(F)F)CCCC1 ZINC000808346972 1135651994 /nfs/dbraw/zinc/65/19/94/1135651994.db2.gz WUGRUKMWGJSONU-JXMROGBWSA-N -1 1 335.803 3.808 20 0 EHADMM O=C([N-]c1noc2cccnc21)c1c(Cl)ccnc1C(F)(F)F ZINC001197222201 1135661429 /nfs/dbraw/zinc/66/14/29/1135661429.db2.gz JYBITHGKKHLXSC-UHFFFAOYSA-N -1 1 342.664 3.542 20 0 EHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccccc1C(F)F ZINC001197601065 1135713188 /nfs/dbraw/zinc/71/31/88/1135713188.db2.gz UDTZLNMCMMCATG-UHFFFAOYSA-N -1 1 333.306 3.844 20 0 EHADMM COc1cc(Cl)cc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC001197602895 1135713752 /nfs/dbraw/zinc/71/37/52/1135713752.db2.gz IMKMZRXVLOUOQE-UHFFFAOYSA-N -1 1 347.770 3.569 20 0 EHADMM Cc1ccc2c([N-]S(=O)(=O)Cc3c(F)cccc3F)cccc2n1 ZINC001197603198 1135713882 /nfs/dbraw/zinc/71/38/82/1135713882.db2.gz NSAHYFLMDIJLOY-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000103979199 1135736964 /nfs/dbraw/zinc/73/69/64/1135736964.db2.gz XTQJQIRKACSUAS-OKILXGFUSA-N -1 1 344.484 3.706 20 0 EHADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1c(F)ccc([O-])c1F ZINC000809610329 1135857193 /nfs/dbraw/zinc/85/71/93/1135857193.db2.gz QDAWDNGAEXZDDS-VIFPVBQESA-N -1 1 325.742 3.685 20 0 EHADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc4occc4c3)cc21 ZINC001198860783 1135862508 /nfs/dbraw/zinc/86/25/08/1135862508.db2.gz CIIGPRFSRPMJNQ-UHFFFAOYSA-N -1 1 341.388 3.753 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)[C@H](O)CCC2)c1ccc2occc2c1 ZINC001198869503 1135864735 /nfs/dbraw/zinc/86/47/35/1135864735.db2.gz VSFHHIZVCAIQDP-QGZVFWFLSA-N -1 1 343.404 3.603 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)F)c(C)c1 ZINC001198940707 1135868118 /nfs/dbraw/zinc/86/81/18/1135868118.db2.gz XYTMUNCAGMVPKC-UHFFFAOYSA-N -1 1 327.352 3.742 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(N(C)C)c1C ZINC000776092232 1135953669 /nfs/dbraw/zinc/95/36/69/1135953669.db2.gz ZPKLWBZVOJZNFL-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM COc1ccc(NC(=S)Nc2cccc([O-])c2Cl)c(OC)c1 ZINC001200977547 1135970359 /nfs/dbraw/zinc/97/03/59/1135970359.db2.gz IETBFZNVHOIQNH-UHFFFAOYSA-N -1 1 338.816 3.872 20 0 EHADMM O=C(Nc1ccccc1Br)Nc1cc(Cl)ncc1[O-] ZINC001201968141 1136079476 /nfs/dbraw/zinc/07/94/76/1136079476.db2.gz UBYPVJPBNMQZAG-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001170634328 1136079720 /nfs/dbraw/zinc/07/97/20/1136079720.db2.gz CIPWCGBYDAAJFZ-FPOVZHCZSA-N -1 1 347.414 3.884 20 0 EHADMM O=S(=O)([N-]c1cc(C2CC2)ccn1)C1=Cc2ccccc2CC1 ZINC000811838180 1136143513 /nfs/dbraw/zinc/14/35/13/1136143513.db2.gz XTDXOJNMLBESHO-UHFFFAOYSA-N -1 1 326.421 3.688 20 0 EHADMM CC(C)c1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000006427162 1136174295 /nfs/dbraw/zinc/17/42/95/1136174295.db2.gz RDEGKUPSDBYVHU-UHFFFAOYSA-N -1 1 338.359 3.979 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(C)(CC(C)C)CC1 ZINC000813845102 1136370198 /nfs/dbraw/zinc/37/01/98/1136370198.db2.gz KMCRNUYFIUMEJP-UHFFFAOYSA-N -1 1 333.476 3.902 20 0 EHADMM CCc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)cnn1C(C)(C)C ZINC000885674224 1136599664 /nfs/dbraw/zinc/59/96/64/1136599664.db2.gz KYPWGGNUDKZUAD-UHFFFAOYSA-N -1 1 339.798 3.951 20 0 EHADMM CC(C)(C)c1nnc(C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC000885678799 1136613917 /nfs/dbraw/zinc/61/39/17/1136613917.db2.gz WHEWSBQSTLVRON-UHFFFAOYSA-N -1 1 329.784 3.586 20 0 EHADMM CO[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)C1CCC1 ZINC000854432620 1136616086 /nfs/dbraw/zinc/61/60/86/1136616086.db2.gz RJEYPHCPDLYGEW-LBPRGKRZSA-N -1 1 348.624 3.562 20 0 EHADMM CC[C@@H](C)N(CC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000855144898 1136671943 /nfs/dbraw/zinc/67/19/43/1136671943.db2.gz HPYTVBMOTBHFPR-GFCCVEGCSA-N -1 1 336.432 4.000 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCSC[C@H]1C1CC1 ZINC000888497146 1136768339 /nfs/dbraw/zinc/76/83/39/1136768339.db2.gz PDAMHSBCEDLHKP-KRWDZBQOSA-N -1 1 327.449 3.903 20 0 EHADMM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1c([O-])cccc1Cl ZINC000817029878 1136771861 /nfs/dbraw/zinc/77/18/61/1136771861.db2.gz QMKKNLLCCFSQRE-LBPRGKRZSA-N -1 1 348.805 3.536 20 0 EHADMM O=C(Nc1ccc(OC(F)F)cn1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000817064115 1136774745 /nfs/dbraw/zinc/77/47/45/1136774745.db2.gz RLJMCSISGPWAMT-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM CCCCc1ccc([C@H](NC(=O)c2cnncc2[O-])C(C)C)cc1 ZINC001135881623 1136793653 /nfs/dbraw/zinc/79/36/53/1136793653.db2.gz XISNABPZFADFMY-GOSISDBHSA-N -1 1 327.428 3.652 20 0 EHADMM CN(C[C@@](C)(O)c1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000857543606 1136881287 /nfs/dbraw/zinc/88/12/87/1136881287.db2.gz BJQCZTPMNHCWTP-OAQYLSRUSA-N -1 1 335.403 3.525 20 0 EHADMM CC1(C)Oc2ccc(NC(=O)Cc3ccc([O-])c(Cl)c3)cc2O1 ZINC001136230023 1136946678 /nfs/dbraw/zinc/94/66/78/1136946678.db2.gz QPSVYTXDSBBPBM-UHFFFAOYSA-N -1 1 333.771 3.734 20 0 EHADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2cccc([O-])c2Br)CCO1 ZINC000821374819 1137023416 /nfs/dbraw/zinc/02/34/16/1137023416.db2.gz IVNORYXLTVGXGR-GXFFZTMASA-N -1 1 342.233 3.544 20 0 EHADMM C[C@H](CNC(=O)c1ccc([O-])cn1)c1c(Cl)cccc1Cl ZINC001136522132 1137045798 /nfs/dbraw/zinc/04/57/98/1137045798.db2.gz CVCQEJHDCOVDDS-SECBINFHSA-N -1 1 325.195 3.628 20 0 EHADMM CCCCN(Cn1[n-]c(-c2ccccn2)nc1=S)CC(F)(F)F ZINC000117319299 1137050161 /nfs/dbraw/zinc/05/01/61/1137050161.db2.gz FVGJKIVPEXNVRD-UHFFFAOYSA-N -1 1 345.394 3.625 20 0 EHADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000822944860 1137080177 /nfs/dbraw/zinc/08/01/77/1137080177.db2.gz XWIITTZZCOXHAW-FRRDWIJNSA-N -1 1 327.380 3.581 20 0 EHADMM O=C(c1ccc([O-])cn1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC001136711317 1137097097 /nfs/dbraw/zinc/09/70/97/1137097097.db2.gz PTGWNJPIENMYQO-UHFFFAOYSA-N -1 1 332.350 3.650 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@@H]2CCC=CCCC2)c(=O)[n-]1 ZINC000861230329 1137097688 /nfs/dbraw/zinc/09/76/88/1137097688.db2.gz HTAUYSVMNNVBNL-CYBMUJFWSA-N -1 1 336.457 3.577 20 0 EHADMM CSc1ccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])nc1 ZINC001136758318 1137108385 /nfs/dbraw/zinc/10/83/85/1137108385.db2.gz RXKUAQMTZAOKPY-UHFFFAOYSA-N -1 1 326.377 3.620 20 0 EHADMM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1c([O-])cccc1Cl ZINC000772874138 1137111602 /nfs/dbraw/zinc/11/16/02/1137111602.db2.gz VGBWATXBGAHAJY-SUMWQHHRSA-N -1 1 331.799 3.553 20 0 EHADMM Cc1cnc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c([O-])c1 ZINC001136781470 1137114049 /nfs/dbraw/zinc/11/40/49/1137114049.db2.gz QYQNRUBKUVEFPL-SGIREYDYSA-N -1 1 330.815 3.876 20 0 EHADMM Cc1ccc([C@@H](C)CNC(=O)c2c([O-])cnc3c(F)cccc32)cc1 ZINC001136845060 1137129445 /nfs/dbraw/zinc/12/94/45/1137129445.db2.gz CCBCEIXFRYHWNE-ZDUSSCGKSA-N -1 1 338.382 3.921 20 0 EHADMM CCC[C@H](CC)SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000794478689 1137167804 /nfs/dbraw/zinc/16/78/04/1137167804.db2.gz RNRKTSLAAIMMCF-ZDUSSCGKSA-N -1 1 345.411 3.856 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1 ZINC001137002232 1137169677 /nfs/dbraw/zinc/16/96/77/1137169677.db2.gz IWVNXQGHNXUVNG-CRAIPNDOSA-N -1 1 337.419 3.779 20 0 EHADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000863425339 1137185707 /nfs/dbraw/zinc/18/57/07/1137185707.db2.gz DQTMCWZJUCGSBX-UHFFFAOYSA-N -1 1 347.436 3.730 20 0 EHADMM C/C(=C/CN1CCC[C@@H]1c1ccc(Br)cc1C)C(=O)[O-] ZINC000863476139 1137188350 /nfs/dbraw/zinc/18/83/50/1137188350.db2.gz VLYPDSFGSMCTDG-OCOPJHETSA-N -1 1 338.245 3.925 20 0 EHADMM CCCCCCO[C@@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476874 1137188531 /nfs/dbraw/zinc/18/85/31/1137188531.db2.gz AXVUARRGROSFJP-AWEZNQCLSA-N -1 1 331.416 3.502 20 0 EHADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCCc2sccc2C1 ZINC001144603026 1137315513 /nfs/dbraw/zinc/31/55/13/1137315513.db2.gz VJHGYZVWLPFXAB-UHFFFAOYSA-N -1 1 342.395 3.730 20 0 EHADMM C[C@@]1(c2ccc(F)cc2)CN(Cc2cc(F)c([O-])cc2F)CCO1 ZINC001144657867 1137323743 /nfs/dbraw/zinc/32/37/43/1137323743.db2.gz LFGYIVXHQOTSDR-SFHVURJKSA-N -1 1 337.341 3.557 20 0 EHADMM CN(C)c1cc(F)cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001144769256 1137345746 /nfs/dbraw/zinc/34/57/46/1137345746.db2.gz NLCQGTVRVWDRMI-UHFFFAOYSA-N -1 1 342.292 3.868 20 0 EHADMM O=C(NCc1ccccc1Sc1ccccc1)c1ncccc1[O-] ZINC001144860146 1137354952 /nfs/dbraw/zinc/35/49/52/1137354952.db2.gz VTYAUBOIYIHEEG-UHFFFAOYSA-N -1 1 336.416 3.868 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000846579607 1137357506 /nfs/dbraw/zinc/35/75/06/1137357506.db2.gz VTDFVUJQVJKJTA-CYBMUJFWSA-N -1 1 335.272 3.672 20 0 EHADMM CCOC(=O)/C(=C\c1cc(Cl)c([O-])c(OC)c1)c1ncccc1C ZINC000794948872 1137377621 /nfs/dbraw/zinc/37/76/21/1137377621.db2.gz JOQIYHGRWZPNMX-JYRVWZFOSA-N -1 1 347.798 3.861 20 0 EHADMM Cc1ccc(Br)cc1CNC(=O)c1c([O-])cccc1F ZINC001147588390 1137409742 /nfs/dbraw/zinc/40/97/42/1137409742.db2.gz LYENGCFLAODLMQ-UHFFFAOYSA-N -1 1 338.176 3.532 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000868545147 1137413471 /nfs/dbraw/zinc/41/34/71/1137413471.db2.gz NDLXACUTOZICSH-UONOGXRCSA-N -1 1 333.819 3.990 20 0 EHADMM Cc1cccc(F)c1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001147888482 1137413753 /nfs/dbraw/zinc/41/37/53/1137413753.db2.gz PDLRYFURDORQOI-UHFFFAOYSA-N -1 1 327.277 3.789 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC001148312840 1137421915 /nfs/dbraw/zinc/42/19/15/1137421915.db2.gz DZBWFXXCOZMLNG-UHFFFAOYSA-N -1 1 335.201 3.925 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c1 ZINC001148780471 1137433347 /nfs/dbraw/zinc/43/33/47/1137433347.db2.gz ZGTDDMPXFCQHMX-SGTLLEGYSA-N -1 1 341.382 3.706 20 0 EHADMM O=C(Nc1nsc2ncccc12)c1ccc(C(F)(F)F)cc1[O-] ZINC001148793884 1137435185 /nfs/dbraw/zinc/43/51/85/1137435185.db2.gz CBBZTTXAGPOZCG-UHFFFAOYSA-N -1 1 339.298 3.668 20 0 EHADMM CCCCCNC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000017322557 1137435662 /nfs/dbraw/zinc/43/56/62/1137435662.db2.gz BERIDDGNBGELRL-UHFFFAOYSA-N -1 1 332.473 3.613 20 0 EHADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001149020079 1137439188 /nfs/dbraw/zinc/43/91/88/1137439188.db2.gz SHAXISRLKTVLDK-BBRMVZONSA-N -1 1 329.827 3.993 20 0 EHADMM COc1cc(C(=O)Nc2cc(F)cc(F)c2F)cc(Cl)c1[O-] ZINC000348129424 1137443855 /nfs/dbraw/zinc/44/38/55/1137443855.db2.gz YQBUFZSNVKFPSL-UHFFFAOYSA-N -1 1 331.677 3.724 20 0 EHADMM CCO[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCOC1 ZINC000869376159 1137448970 /nfs/dbraw/zinc/44/89/70/1137448970.db2.gz QGWVZGCAZIAPNZ-APPDUMDISA-N -1 1 349.814 3.579 20 0 EHADMM CC(C)(C)c1ccc(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)cc1 ZINC001212652921 1137548915 /nfs/dbraw/zinc/54/89/15/1137548915.db2.gz OQHZNUFXMSIIRV-UHFFFAOYSA-N -1 1 337.305 3.838 20 0 EHADMM Cc1[n-]n(-c2ccc(Br)cc2C(F)(F)F)c(=O)c1F ZINC000871951151 1137563568 /nfs/dbraw/zinc/56/35/68/1137563568.db2.gz KJFRIJHPZJPITR-SECBINFHSA-N -1 1 339.086 3.529 20 0 EHADMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000872414785 1137579696 /nfs/dbraw/zinc/57/96/96/1137579696.db2.gz OVOSQMQKLRUBKV-UHFFFAOYSA-N -1 1 345.420 3.576 20 0 EHADMM O=C([O-])c1ccccc1CNCc1ccc(CSC(F)F)o1 ZINC000874043898 1137609714 /nfs/dbraw/zinc/60/97/14/1137609714.db2.gz XDQFMHLSBJKDQT-UHFFFAOYSA-N -1 1 327.352 3.723 20 0 EHADMM CCCN(C[C@@H]1CCCCO1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393732 1137650579 /nfs/dbraw/zinc/65/05/79/1137650579.db2.gz LTVRUIBNAXVMPJ-AWEZNQCLSA-N -1 1 340.851 3.536 20 0 EHADMM CC1(C)C[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCS1 ZINC000888798747 1137767014 /nfs/dbraw/zinc/76/70/14/1137767014.db2.gz OKFMTPLRKBVVIM-SNVBAGLBSA-N -1 1 333.375 3.815 20 0 EHADMM O=S(=O)(C=Cc1ccccc1F)[N-]c1c[nH]nc1-c1ccccc1 ZINC000800042177 1137895475 /nfs/dbraw/zinc/89/54/75/1137895475.db2.gz RZTMXJPWPRGUBV-KHPPLWFESA-N -1 1 343.383 3.628 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000885679470 1138018312 /nfs/dbraw/zinc/01/83/12/1138018312.db2.gz AHDHRDHXZVJXGB-PXAZEXFGSA-N -1 1 349.789 3.914 20 0 EHADMM Cc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591961 1138041609 /nfs/dbraw/zinc/04/16/09/1138041609.db2.gz SPZQEPLXZTXVSD-UHFFFAOYSA-N -1 1 344.436 3.534 20 0 EHADMM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000091080628 1138215863 /nfs/dbraw/zinc/21/58/63/1138215863.db2.gz AUHKOQFUSRODOI-QGZVFWFLSA-N -1 1 335.407 3.863 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccoc3C3CC3)[nH][n-]2)c1 ZINC000337116459 1138469816 /nfs/dbraw/zinc/46/98/16/1138469816.db2.gz ZHJIDRAWBZGAQZ-UHFFFAOYSA-N -1 1 325.343 3.669 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)COc2ccsc2)c1 ZINC000337479338 1138581377 /nfs/dbraw/zinc/58/13/77/1138581377.db2.gz VUQYXXVLBITUBI-UHFFFAOYSA-N -1 1 342.214 3.542 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000890227603 1139327560 /nfs/dbraw/zinc/32/75/60/1139327560.db2.gz NKVCAWMDXYKBCG-ZDUSSCGKSA-N -1 1 338.432 3.707 20 0 EHADMM CCOCCOCc1cccc(NC(=O)c2ccccc2[O-])c1C ZINC000174108568 1139399118 /nfs/dbraw/zinc/39/91/18/1139399118.db2.gz ZBTGSWSZSSFSGH-UHFFFAOYSA-N -1 1 329.396 3.506 20 0 EHADMM CCOc1cc(C(=O)N[C@H](C)Cc2cccs2)cc(Cl)c1[O-] ZINC000186592176 1140212386 /nfs/dbraw/zinc/21/23/86/1140212386.db2.gz JFIGXOBYODRXNE-SNVBAGLBSA-N -1 1 339.844 3.867 20 0 EHADMM CCS[C@H](C)c1noc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000195083666 1140629985 /nfs/dbraw/zinc/62/99/85/1140629985.db2.gz YXBHGYHVVBHMIJ-MRVPVSSYSA-N -1 1 338.458 3.549 20 0 EHADMM CCOc1cc(C(=O)Nc2c(C)[nH]nc2C(F)F)cc(Cl)c1[O-] ZINC000273820020 1141426909 /nfs/dbraw/zinc/42/69/09/1141426909.db2.gz FNYZMIUJPGFXAW-UHFFFAOYSA-N -1 1 345.733 3.666 20 0 EHADMM CCOc1cc(C(=O)NCCCC(F)(F)F)cc(Cl)c1[O-] ZINC000273856627 1141434148 /nfs/dbraw/zinc/43/41/48/1141434148.db2.gz MYFMXTSZUXFRFC-UHFFFAOYSA-N -1 1 325.714 3.517 20 0 EHADMM Cc1ccc(SCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000339125023 1141503690 /nfs/dbraw/zinc/50/36/90/1141503690.db2.gz WOBNLGUSLKLTQT-UHFFFAOYSA-N -1 1 339.420 3.822 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2c([O-])cnc3c(F)cccc32)cc1C ZINC001299356780 1141639472 /nfs/dbraw/zinc/63/94/72/1141639472.db2.gz VOTDTIKWOIGXSJ-UHFFFAOYSA-N -1 1 338.382 3.969 20 0 EHADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc2cccc(F)c2o1 ZINC000636355892 480915923 /nfs/dbraw/zinc/91/59/23/480915923.db2.gz RNMZCAXUQIMSSE-SNVBAGLBSA-N -1 1 333.344 3.527 20 0 EHADMM CC[C@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)C1CCCCC1 ZINC000736369963 598965204 /nfs/dbraw/zinc/96/52/04/598965204.db2.gz PYTPHFBRDLHPFL-AWEZNQCLSA-N -1 1 337.431 3.581 20 0 EHADMM CC[C@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)C1CCCCC1 ZINC000736369963 598965205 /nfs/dbraw/zinc/96/52/05/598965205.db2.gz PYTPHFBRDLHPFL-AWEZNQCLSA-N -1 1 337.431 3.581 20 0 EHADMM Cc1cccc([C@@H](C)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737390804 599047599 /nfs/dbraw/zinc/04/75/99/599047599.db2.gz VZJLOQJJTVTBIF-VIFPVBQESA-N -1 1 334.836 3.501 20 0 EHADMM Cc1cccc([C@@H](C)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737390804 599047602 /nfs/dbraw/zinc/04/76/02/599047602.db2.gz VZJLOQJJTVTBIF-VIFPVBQESA-N -1 1 334.836 3.501 20 0 EHADMM Cc1cccc(Oc2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)c1 ZINC000737409087 598336783 /nfs/dbraw/zinc/33/67/83/598336783.db2.gz AQLUSBODOAHWKO-UHFFFAOYSA-N -1 1 345.366 3.501 20 0 EHADMM Cc1cccc(Oc2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)c1 ZINC000737409087 598336785 /nfs/dbraw/zinc/33/67/85/598336785.db2.gz AQLUSBODOAHWKO-UHFFFAOYSA-N -1 1 345.366 3.501 20 0 EHADMM CC1(c2ccccc2)CC(Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736224625 598364617 /nfs/dbraw/zinc/36/46/17/598364617.db2.gz SYUKRDPXQNWFSR-UHFFFAOYSA-N -1 1 346.847 3.509 20 0 EHADMM CC1(c2ccccc2)CC(Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736224625 598364619 /nfs/dbraw/zinc/36/46/19/598364619.db2.gz SYUKRDPXQNWFSR-UHFFFAOYSA-N -1 1 346.847 3.509 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(Cl)s1 ZINC000736140388 598572828 /nfs/dbraw/zinc/57/28/28/598572828.db2.gz VHEKIZKYIPOOEX-LURJTMIESA-N -1 1 341.227 3.803 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC000736140388 598572829 /nfs/dbraw/zinc/57/28/29/598572829.db2.gz VHEKIZKYIPOOEX-LURJTMIESA-N -1 1 341.227 3.803 20 0 EHADMM C[C@H](Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820300363 599490295 /nfs/dbraw/zinc/49/02/95/599490295.db2.gz QLKGONJMGJMOKH-GFCCVEGCSA-N -1 1 348.385 3.597 20 0 EHADMM C[C@H](Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820300363 599490296 /nfs/dbraw/zinc/49/02/96/599490296.db2.gz QLKGONJMGJMOKH-GFCCVEGCSA-N -1 1 348.385 3.597 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCCC[C@H]1Cc1ccccc1 ZINC000738290590 599782892 /nfs/dbraw/zinc/78/28/92/599782892.db2.gz RGDBXDLFZQXCAK-HNNXBMFYSA-N -1 1 347.846 3.598 20 0 EHADMM Cc1ccc(-c2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)[nH]n2)cc1 ZINC000738487264 600245309 /nfs/dbraw/zinc/24/53/09/600245309.db2.gz VRZKWKLYHLMRKR-UHFFFAOYSA-N -1 1 346.346 3.800 20 0 EHADMM C[C@H](CN(Cc1ccc(Cl)cc1Br)C1CC1)C(=O)[O-] ZINC000565113096 600331050 /nfs/dbraw/zinc/33/10/50/600331050.db2.gz ZDXDBSNOIMHMLI-SECBINFHSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@@H](CN(Cc1ccc(Cl)cc1Br)C1CC1)C(=O)[O-] ZINC000565113097 600331155 /nfs/dbraw/zinc/33/11/55/600331155.db2.gz ZDXDBSNOIMHMLI-VIFPVBQESA-N -1 1 346.652 3.788 20 0 EHADMM O=C([O-])c1sc2ccccc2c1CN1CCc2ccc(O)cc2C1 ZINC000740281690 600437627 /nfs/dbraw/zinc/43/76/27/600437627.db2.gz TWAJRUFSSWSDSJ-UHFFFAOYSA-N -1 1 339.416 3.863 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2cccc(C)c2C)c(C)c1C(=O)[O-] ZINC000738694303 600640346 /nfs/dbraw/zinc/64/03/46/600640346.db2.gz YNXHSDPCXOLJFM-DZGCQCFKSA-N -1 1 342.439 3.869 20 0 EHADMM CC(C)COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426783613 600741617 /nfs/dbraw/zinc/74/16/17/600741617.db2.gz JVNUECUDQDXVCP-GOSISDBHSA-N -1 1 331.387 3.776 20 0 EHADMM O=C([O-])[C@@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)c1ccccc1 ZINC000739512093 600987709 /nfs/dbraw/zinc/98/77/09/600987709.db2.gz LTTUJYSIIGXOJE-ZDUSSCGKSA-N -1 1 347.346 3.668 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000826055315 601651434 /nfs/dbraw/zinc/65/14/34/601651434.db2.gz YNWZMIPRXJUGNM-PXAZEXFGSA-N -1 1 343.814 3.539 20 0 EHADMM COc1ccc2nc(SCc3ccc(C(=O)[O-])c(F)c3)[nH]c2c1 ZINC000322936329 601669372 /nfs/dbraw/zinc/66/93/72/601669372.db2.gz OPGZCQPTJNRXLY-UHFFFAOYSA-N -1 1 332.356 3.701 20 0 EHADMM Cc1ccc(C(=O)C2CCN(Cc3ccsc3C(=O)[O-])CC2)cc1 ZINC000565426645 601808624 /nfs/dbraw/zinc/80/86/24/601808624.db2.gz MHYFFERYFNYPCM-UHFFFAOYSA-N -1 1 343.448 3.850 20 0 EHADMM CN(Cc1ccoc1C(=O)[O-])Cc1cccc(OC(F)(F)F)c1 ZINC000572653430 601908852 /nfs/dbraw/zinc/90/88/52/601908852.db2.gz LRHKHAUFQXFZFZ-UHFFFAOYSA-N -1 1 329.274 3.508 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740028573 602173988 /nfs/dbraw/zinc/17/39/88/602173988.db2.gz UCRQXHBEOWFRTF-UHFFFAOYSA-N -1 1 336.351 3.727 20 0 EHADMM CC(C)(C)Oc1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000823832993 603540414 /nfs/dbraw/zinc/54/04/14/603540414.db2.gz DRJATJLWVBPWEV-UHFFFAOYSA-N -1 1 329.400 3.639 20 0 EHADMM Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830936981 604231922 /nfs/dbraw/zinc/23/19/22/604231922.db2.gz RUESPRRPDORXTE-CJNGLKHVSA-N -1 1 343.427 3.518 20 0 EHADMM O=C([O-])CC1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000833213792 604334380 /nfs/dbraw/zinc/33/43/80/604334380.db2.gz ASWPEOZBMJZXNH-UHFFFAOYSA-N -1 1 342.317 3.533 20 0 EHADMM C[C@H](N[C@@H](CNC(=O)[O-])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000825473624 604362781 /nfs/dbraw/zinc/36/27/81/604362781.db2.gz SZIVQSQCYNBSLL-FZMZJTMJSA-N -1 1 331.441 3.507 20 0 EHADMM C[C@H](Oc1ccc(CN([C@@H](C)c2ccco2)C2CC2)cc1)C(=O)[O-] ZINC000833538166 604607733 /nfs/dbraw/zinc/60/77/33/604607733.db2.gz QZJVTFDISSRULZ-KBPBESRZSA-N -1 1 329.396 3.857 20 0 EHADMM CC[C@H](NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1c(C)noc1C ZINC000833643709 604639722 /nfs/dbraw/zinc/63/97/22/604639722.db2.gz FQTOMGJAOGGLLV-INIZCTEOSA-N -1 1 346.427 3.613 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833732254 604751301 /nfs/dbraw/zinc/75/13/01/604751301.db2.gz JNLXWTKORSGIAU-SFHVURJKSA-N -1 1 329.371 3.870 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000833679180 605020100 /nfs/dbraw/zinc/02/01/00/605020100.db2.gz VLCWCCMZCHEEDF-UHFFFAOYSA-N -1 1 346.814 3.878 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccccc1N1CCCC1 ZINC000833547830 605037424 /nfs/dbraw/zinc/03/74/24/605037424.db2.gz XYLBSNCMCFITSP-CQSZACIVSA-N -1 1 328.412 3.771 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434654 605048697 /nfs/dbraw/zinc/04/86/97/605048697.db2.gz BGXOYWPXBDURBM-RYUDHWBXSA-N -1 1 335.787 3.846 20 0 EHADMM Cc1cccc(C2(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)CCC2)c1 ZINC000833752219 605060145 /nfs/dbraw/zinc/06/01/45/605060145.db2.gz DLZDCVWJZLSVOC-UHFFFAOYSA-N -1 1 349.390 3.630 20 0 EHADMM Cc1nc2cc(NCc3cccc4c3N(C(=O)[O-])CC4)ccc2n1C ZINC000830785631 605259676 /nfs/dbraw/zinc/25/96/76/605259676.db2.gz PHUWLGKOLIQQME-UHFFFAOYSA-N -1 1 336.395 3.534 20 0 EHADMM Cc1ccc(S(=O)(=O)Nc2csc3ccccc23)c(C(=O)[O-])c1 ZINC000833751459 605421625 /nfs/dbraw/zinc/42/16/25/605421625.db2.gz ZTYGONBHBGOODU-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1cnc(C2CCC2)s1 ZINC000834161847 605609768 /nfs/dbraw/zinc/60/97/68/605609768.db2.gz IQQAWGPYRVRYRC-AGUYFDCRSA-N -1 1 335.473 3.564 20 0 EHADMM O=C([O-])N1CCC[C@@H](N[C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000834098758 605627185 /nfs/dbraw/zinc/62/71/85/605627185.db2.gz NACXLNUHBXZFCX-WBVHZDCISA-N -1 1 345.830 3.556 20 0 EHADMM CC[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc2c(c1)OCCO2 ZINC000833644116 605843944 /nfs/dbraw/zinc/84/39/44/605843944.db2.gz LDSQDAOLXWRJEF-MRXNPFEDSA-N -1 1 345.370 3.536 20 0 EHADMM CSCc1cccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821970470 606467227 /nfs/dbraw/zinc/46/72/27/606467227.db2.gz OEPQARALWIYUPS-UHFFFAOYSA-N -1 1 332.820 3.522 20 0 EHADMM CSCc1cccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821970470 606467228 /nfs/dbraw/zinc/46/72/28/606467228.db2.gz OEPQARALWIYUPS-UHFFFAOYSA-N -1 1 332.820 3.522 20 0 EHADMM c1csc([C@H](Cc2ccccc2)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826520549 607900491 /nfs/dbraw/zinc/90/04/91/607900491.db2.gz LYIRSRIWIKUANN-HNNXBMFYSA-N -1 1 348.435 3.719 20 0 EHADMM c1csc([C@H](Cc2ccccc2)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826520549 607900492 /nfs/dbraw/zinc/90/04/92/607900492.db2.gz LYIRSRIWIKUANN-HNNXBMFYSA-N -1 1 348.435 3.719 20 0 EHADMM Cc1nc2ccc(Nc3snc(Cl)c3-c3nnn[n-]3)cc2s1 ZINC000826329097 608171162 /nfs/dbraw/zinc/17/11/62/608171162.db2.gz QAVGUDQICREBRM-UHFFFAOYSA-N -1 1 349.832 3.638 20 0 EHADMM Cc1nc2ccc(Nc3snc(Cl)c3-c3nn[n-]n3)cc2s1 ZINC000826329097 608171163 /nfs/dbraw/zinc/17/11/63/608171163.db2.gz QAVGUDQICREBRM-UHFFFAOYSA-N -1 1 349.832 3.638 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@H]2CC23CCCC3)c(-c2nnn[n-]2)s1 ZINC000824129612 608346152 /nfs/dbraw/zinc/34/61/52/608346152.db2.gz AMQLRSXMZFNHLY-SNVBAGLBSA-N -1 1 345.472 3.745 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@H]2CC23CCCC3)c(-c2nn[n-]n2)s1 ZINC000824129612 608346154 /nfs/dbraw/zinc/34/61/54/608346154.db2.gz AMQLRSXMZFNHLY-SNVBAGLBSA-N -1 1 345.472 3.745 20 0 EHADMM CC[C@@H](C)n1ncc(NCc2ccc(-c3nn[n-]n3)s2)c1C1CC1 ZINC000825082071 608427569 /nfs/dbraw/zinc/42/75/69/608427569.db2.gz PWEXLDLATGNDFW-SNVBAGLBSA-N -1 1 343.460 3.585 20 0 EHADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccc2ccccc2c1 ZINC000322808224 970931128 /nfs/dbraw/zinc/93/11/28/970931128.db2.gz ARXYEMFBLKWGQE-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM C[C@H]1CN(Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1C(=O)[O-] ZINC000323817975 971041292 /nfs/dbraw/zinc/04/12/92/971041292.db2.gz PRLAIAAWMYUQGX-XHDPSFHLSA-N -1 1 334.803 3.538 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(F)c(Br)c2)C1 ZINC000043585416 948891327 /nfs/dbraw/zinc/89/13/27/948891327.db2.gz MDAGZTYAQMYKFE-LLVKDONJSA-N -1 1 344.224 3.665 20 0 EHADMM O=C([O-])c1cccc(CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC001595248226 949517148 /nfs/dbraw/zinc/51/71/48/949517148.db2.gz HFLZPLHELJIXLB-UHFFFAOYSA-N -1 1 329.356 3.601 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2[nH]1 ZINC001602925608 971889281 /nfs/dbraw/zinc/88/92/81/971889281.db2.gz NTKLUSWSOGHGAY-CYBMUJFWSA-N -1 1 331.416 3.546 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Cl)ccc2Br)C[C@H]1C(=O)[O-] ZINC000516867028 953542723 /nfs/dbraw/zinc/54/27/23/953542723.db2.gz FQMSUXRASPGCNP-BXKDBHETSA-N -1 1 346.652 3.645 20 0 EHADMM CCOc1ccc(-c2nc(CN3CCCC[C@H]3CC(=O)[O-])co2)cc1 ZINC000652463663 954085707 /nfs/dbraw/zinc/08/57/07/954085707.db2.gz PKVFRYUOWHNXJR-INIZCTEOSA-N -1 1 344.411 3.570 20 0 EHADMM Cc1ccccc1-c1noc([C@H](C)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000652496319 954090840 /nfs/dbraw/zinc/09/08/40/954090840.db2.gz RVJSCDRHKQYMCL-GJZGRUSLSA-N -1 1 343.427 3.683 20 0 EHADMM CCOc1ccc2nc(SCc3ccccc3C(=O)[O-])[nH]c2c1 ZINC000390726539 972300462 /nfs/dbraw/zinc/30/04/62/972300462.db2.gz LVCXHTBVJLORBT-UHFFFAOYSA-N -1 1 328.393 3.952 20 0 EHADMM C[C@H](c1cc(F)ccc1F)N(C)CCOc1ccccc1C(=O)[O-] ZINC000183914236 959454619 /nfs/dbraw/zinc/45/46/19/959454619.db2.gz BLZLBQINKLFWRI-GFCCVEGCSA-N -1 1 335.350 3.735 20 0 EHADMM Cc1oc(CN[C@@H](C)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000235523566 960452818 /nfs/dbraw/zinc/45/28/18/960452818.db2.gz CZCQIBRTMNJMDY-VIFPVBQESA-N -1 1 338.201 3.900 20 0 EHADMM O=C([O-])CCCCN1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000263570608 962735821 /nfs/dbraw/zinc/73/58/21/962735821.db2.gz IJVOLTNPFWLZPG-CQSZACIVSA-N -1 1 344.224 3.980 20 0 EHADMM CCCC[C@H](C(=O)[O-])N1CCc2ccc(F)c(Br)c2C1 ZINC000527618770 974352498 /nfs/dbraw/zinc/35/24/98/974352498.db2.gz ZIKHQOYKCUXQGI-CYBMUJFWSA-N -1 1 344.224 3.590 20 0 EHADMM CCN(CCC(=O)[O-])Cc1cc(Cl)c(C)cc1Br ZINC000530163547 974358961 /nfs/dbraw/zinc/35/89/61/974358961.db2.gz OVBOCQCHSXJQKH-UHFFFAOYSA-N -1 1 334.641 3.708 20 0 EHADMM CO[C@]1(C)C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C1(C)C ZINC000571930488 974739005 /nfs/dbraw/zinc/73/90/05/974739005.db2.gz OBIPWVWYCYQLIP-WMLDXEAASA-N -1 1 325.836 3.674 20 0 EHADMM COCc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])sc2C)o1 ZINC000575875040 974803004 /nfs/dbraw/zinc/80/30/04/974803004.db2.gz QIOKLSSWKZGDSZ-AWEZNQCLSA-N -1 1 335.425 3.831 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000578756518 974861463 /nfs/dbraw/zinc/86/14/63/974861463.db2.gz WXEZQWOIXVJPQN-PIGZYNQJSA-N -1 1 337.370 3.679 20 0 EHADMM O=C([O-])c1cnc(C2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000629368285 975086483 /nfs/dbraw/zinc/08/64/83/975086483.db2.gz LNZLGMVBGIZURH-UHFFFAOYSA-N -1 1 336.844 3.874 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2csc(C(=O)[O-])c2)cc1OC ZINC000652385128 975518796 /nfs/dbraw/zinc/51/87/96/975518796.db2.gz GUXAWGBSNULMAG-AWEZNQCLSA-N -1 1 347.436 3.801 20 0 EHADMM CC(C)Oc1cccc(CN(C)Cc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001591792179 975995372 /nfs/dbraw/zinc/99/53/72/975995372.db2.gz KKXKCSOAKGFGSM-KTKRTIGZSA-N -1 1 329.396 3.797 20 0 EHADMM Cc1cc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)ccc1Cl ZINC000683174532 976079033 /nfs/dbraw/zinc/07/90/33/976079033.db2.gz UCEPPZMBEVDNNR-HNNXBMFYSA-N -1 1 325.742 3.842 20 0 EHADMM Cc1ccc2cc(CN[C@H](C(=O)[O-])c3cc(F)ccc3F)ccc2n1 ZINC000683174881 976080503 /nfs/dbraw/zinc/08/05/03/976080503.db2.gz RHIZNYQKNQBYDP-SFHVURJKSA-N -1 1 342.345 3.737 20 0 EHADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C[C@H](O)c1cccc(Cl)c1 ZINC000851707756 979576925 /nfs/dbraw/zinc/57/69/25/979576925.db2.gz KAABZXGSSIUMEI-BZSNNMDCSA-N -1 1 345.826 3.664 20 0 EHADMM Cc1ccc2cc(CN(C)Cc3ccc(OCC(=O)[O-])cc3)[nH]c2c1 ZINC000901832597 980552164 /nfs/dbraw/zinc/55/21/64/980552164.db2.gz PBKMWYPOGPJPOQ-UHFFFAOYSA-N -1 1 338.407 3.572 20 0 EHADMM CO[C@@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C(=O)[O-])C1 ZINC000902031594 980702122 /nfs/dbraw/zinc/70/21/22/980702122.db2.gz KJDUEDHTZUAOPL-ZBFHGGJFSA-N -1 1 349.814 3.664 20 0 EHADMM CO[C@H](c1ccccc1Cl)[C@H](C)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902270981 980811023 /nfs/dbraw/zinc/81/10/23/980811023.db2.gz XKFRPCPBXWIXEY-BPDRWHIKSA-N -1 1 349.814 3.897 20 0 EHADMM O=C([O-])c1ccc(CN[C@H](c2ccccc2F)C2CCCC2)nc1 ZINC000905726071 981124859 /nfs/dbraw/zinc/12/48/59/981124859.db2.gz GELHKCPWIVHROH-SFHVURJKSA-N -1 1 328.387 3.940 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000187001938 1014896781 /nfs/dbraw/zinc/89/67/81/1014896781.db2.gz PKXWCYKRKVGEIJ-UHFFFAOYSA-N -1 1 337.470 3.590 20 0 EHADMM CCN(CC)Cc1ccc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])o1 ZINC001596276957 983697490 /nfs/dbraw/zinc/69/74/90/983697490.db2.gz QILDVBWZJAPLJO-UHFFFAOYSA-N -1 1 344.411 3.689 20 0 EHADMM C=Cn1cc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1 ZINC001588922223 984582143 /nfs/dbraw/zinc/58/21/43/984582143.db2.gz XQDVMMACAPGITD-AWEZNQCLSA-N -1 1 340.210 3.548 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Br)ccc1Cl ZINC000263462609 1125493727 /nfs/dbraw/zinc/49/37/27/1125493727.db2.gz CBWBTUUCSGHYBQ-VHSXEESVSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@H]1CN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCC1(F)F ZINC001594503437 985698696 /nfs/dbraw/zinc/69/86/96/985698696.db2.gz YMOPFMQUAQJEDK-JOYOIKCWSA-N -1 1 337.288 3.808 20 0 EHADMM C[C@@H]1COc2ccccc2CN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594607532 986581984 /nfs/dbraw/zinc/58/19/84/986581984.db2.gz LMTCPJPUVBECGH-CQSZACIVSA-N -1 1 348.402 3.716 20 0 EHADMM CC[C@@H]1c2ccccc2CN1C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000890610311 1015257482 /nfs/dbraw/zinc/25/74/82/1015257482.db2.gz BLNWVBBDCSJDBX-OAHLLOKOSA-N -1 1 325.412 3.721 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000655283414 1015318473 /nfs/dbraw/zinc/31/84/73/1015318473.db2.gz IAAJPYXBJIVUGW-CYBMUJFWSA-N -1 1 343.345 3.585 20 0 EHADMM CCc1[nH]c(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1C(=O)[O-] ZINC001597385460 987595961 /nfs/dbraw/zinc/59/59/61/987595961.db2.gz SYAVPFTXEXZWFK-OAHLLOKOSA-N -1 1 348.830 3.582 20 0 EHADMM CSCc1cc(F)ccc1CN[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001599802531 988201269 /nfs/dbraw/zinc/20/12/69/988201269.db2.gz QKUNXMQETLIGQG-LLVKDONJSA-N -1 1 334.416 3.633 20 0 EHADMM CCc1oc(CN[C@H](C)c2ccccc2-n2cccn2)cc1C(=O)[O-] ZINC001597798228 989362511 /nfs/dbraw/zinc/36/25/11/989362511.db2.gz AKZUSVDYXXDKJD-CYBMUJFWSA-N -1 1 339.395 3.577 20 0 EHADMM COc1cccc2c1CN([C@@H](C(=O)[O-])c1cccc(Cl)c1)CC2 ZINC001599691926 991083789 /nfs/dbraw/zinc/08/37/89/991083789.db2.gz KIGKYDASSZMNPI-QGZVFWFLSA-N -1 1 331.799 3.533 20 0 EHADMM Cc1nc(NC(=O)c2cncc([O-])c2)sc1Cc1cccc(C)c1 ZINC000339815677 1015699245 /nfs/dbraw/zinc/69/92/45/1015699245.db2.gz ZEWMHFYZQVCVLQ-UHFFFAOYSA-N -1 1 339.420 3.704 20 0 EHADMM Cc1nc(NC(=O)c2cncc([O-])c2)sc1Cc1ccc(C)cc1 ZINC000339814973 1015699504 /nfs/dbraw/zinc/69/95/04/1015699504.db2.gz UYBYYROSSYNDKI-UHFFFAOYSA-N -1 1 339.420 3.704 20 0 EHADMM O=C(Nc1nc2ccccc2n1C1CCCCC1)c1cncc([O-])c1 ZINC000339827563 1015715920 /nfs/dbraw/zinc/71/59/20/1015715920.db2.gz OSJVSJCGJXSCTC-UHFFFAOYSA-N -1 1 336.395 3.894 20 0 EHADMM CC(C)Cc1ccccc1CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001591490905 992625281 /nfs/dbraw/zinc/62/52/81/992625281.db2.gz NGLKYIHGZSKLBE-UHFFFAOYSA-N -1 1 339.435 3.978 20 0 EHADMM CN(Cc1ccc(F)nc1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598519318 992659212 /nfs/dbraw/zinc/65/92/12/992659212.db2.gz OVZISVZXRCNMTI-CQSZACIVSA-N -1 1 343.185 3.785 20 0 EHADMM COc1ccc(F)cc1CN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001599582653 993572601 /nfs/dbraw/zinc/57/26/01/993572601.db2.gz FPBOINAMXRUZLE-UHFFFAOYSA-N -1 1 337.778 3.575 20 0 EHADMM COc1ccc(OC)c([C@@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599603258 993847438 /nfs/dbraw/zinc/84/74/38/993847438.db2.gz UCKVMIBVVNJGOJ-DIFFPNOSSA-N -1 1 349.814 3.834 20 0 EHADMM C[C@@H](NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(C(=O)[O-])co1 ZINC001593246858 994459375 /nfs/dbraw/zinc/45/93/75/994459375.db2.gz OOTNENFHAMDGFN-PELKAZGASA-N -1 1 344.194 3.669 20 0 EHADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc3ccccc31)OCO2 ZINC000180355143 1015920004 /nfs/dbraw/zinc/92/00/04/1015920004.db2.gz FZNGSZLGSBLFCP-UHFFFAOYSA-N -1 1 341.388 3.678 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2ccc(Cl)cc2)n1 ZINC000339941043 1015992369 /nfs/dbraw/zinc/99/23/69/1015992369.db2.gz ZPAPRHGBAKEINX-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC001593726072 996286746 /nfs/dbraw/zinc/28/67/46/996286746.db2.gz YTXXVXKNKBVVHW-AUUYWEPGSA-N -1 1 328.412 3.779 20 0 EHADMM COc1cc(-c2nc(COCc3ccccc3)no2)cc(Cl)c1[O-] ZINC000443214775 1016057107 /nfs/dbraw/zinc/05/71/07/1016057107.db2.gz LXILJPSBQYIEDG-UHFFFAOYSA-N -1 1 346.770 3.821 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(O)c1 ZINC000442845018 1016058049 /nfs/dbraw/zinc/05/80/49/1016058049.db2.gz MMVUKGWNSHZTOJ-UHFFFAOYSA-N -1 1 349.452 3.744 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000339958650 1016068307 /nfs/dbraw/zinc/06/83/07/1016068307.db2.gz BQWWRYRHEYBJOU-NRFANRHFSA-N -1 1 344.414 3.770 20 0 EHADMM CC1(C)Cc2cc(CNCc3ccc(C(=O)[O-])cc3F)ccc2O1 ZINC001593964170 997093658 /nfs/dbraw/zinc/09/36/58/997093658.db2.gz DBZUQMUXKRRBMO-UHFFFAOYSA-N -1 1 329.371 3.527 20 0 EHADMM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c(C)c1OC ZINC001599508994 997262808 /nfs/dbraw/zinc/26/28/08/997262808.db2.gz NJDUVGXBZPCWCR-PXAZEXFGSA-N -1 1 347.386 3.628 20 0 EHADMM COc1ccc([C@@H](NCc2cscc2Cl)C(=O)[O-])cc1Cl ZINC001599530593 997643758 /nfs/dbraw/zinc/64/37/58/997643758.db2.gz FFRCICSPWQIGJG-CYBMUJFWSA-N -1 1 346.235 3.979 20 0 EHADMM COC(=O)c1cc(CN2CCC[C@@H]2c2ccsc2)cc(C(=O)[O-])c1 ZINC001598933523 997818240 /nfs/dbraw/zinc/81/82/40/997818240.db2.gz ZGDBFAHYLUCFFE-MRXNPFEDSA-N -1 1 345.420 3.570 20 0 EHADMM COCCSc1ccc([C@H](C)NCc2occc2C(=O)[O-])cc1 ZINC001599265640 998463676 /nfs/dbraw/zinc/46/36/76/998463676.db2.gz QPIQXUBFZOOZSS-LBPRGKRZSA-N -1 1 335.425 3.567 20 0 EHADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)n1 ZINC000340078664 1016222708 /nfs/dbraw/zinc/22/27/08/1016222708.db2.gz KFLITLRXRHGBTJ-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM COc1ccc(F)c(CN[C@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001599581531 998539361 /nfs/dbraw/zinc/53/93/61/998539361.db2.gz RRPVDIMZWYZOET-SFHVURJKSA-N -1 1 329.371 3.700 20 0 EHADMM C[C@@H]1CC[C@@](NCc2ccc(F)cc2F)(C(=O)[O-])c2ccccc21 ZINC001594319933 999229676 /nfs/dbraw/zinc/22/96/76/999229676.db2.gz HAWZVWZTHVBEHB-BLVKFPJESA-N -1 1 331.362 3.932 20 0 EHADMM COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c(OC)c1 ZINC000180330210 1016896758 /nfs/dbraw/zinc/89/67/58/1016896758.db2.gz VVTLYNHABRDVIF-UHFFFAOYSA-N -1 1 341.285 3.681 20 0 EHADMM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc([O-])cc1F ZINC000181220454 1016915956 /nfs/dbraw/zinc/91/59/56/1016915956.db2.gz JPCYEMBEBLODRM-LJQANCHMSA-N -1 1 343.398 3.745 20 0 EHADMM O=C(CCCOc1ccc(F)cc1F)Nc1ccc(F)cc1[O-] ZINC000340330482 1016952750 /nfs/dbraw/zinc/95/27/50/1016952750.db2.gz OSFACZPAMKQGAT-UHFFFAOYSA-N -1 1 325.286 3.607 20 0 EHADMM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1cncc([O-])c1 ZINC000600969120 1032253893 /nfs/dbraw/zinc/25/38/93/1032253893.db2.gz 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CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436977821 1021433859 /nfs/dbraw/zinc/43/38/59/1021433859.db2.gz FNUOWACWOAAZIL-UHFFFAOYSA-N -1 1 325.408 3.650 20 0 EHADMM CC[C@H](CC(F)(F)F)NC(=O)c1cc(Br)ccc1[O-] ZINC000436977918 1021434265 /nfs/dbraw/zinc/43/42/65/1021434265.db2.gz FXWQDVNDKPAGRZ-MRVPVSSYSA-N -1 1 340.139 3.616 20 0 EHADMM CCSc1ccc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436979566 1021437036 /nfs/dbraw/zinc/43/70/36/1021437036.db2.gz KLUIMMIORGFRDI-GFCCVEGCSA-N -1 1 329.421 3.564 20 0 EHADMM COc1cc(NC(=O)c2ccc([O-])cc2F)cc(OC)c1C(C)C ZINC000436982514 1021439574 /nfs/dbraw/zinc/43/95/74/1021439574.db2.gz URKCOLCLQZUAHV-UHFFFAOYSA-N -1 1 333.359 3.924 20 0 EHADMM CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000437002434 1021471300 /nfs/dbraw/zinc/47/13/00/1021471300.db2.gz HKGTYLGZHKYMBB-UHFFFAOYSA-N -1 1 333.387 3.777 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc(C)c1F ZINC000437336018 1021745657 /nfs/dbraw/zinc/74/56/57/1021745657.db2.gz 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CC1(C)CCC[C@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078362795 1027724479 /nfs/dbraw/zinc/72/44/79/1027724479.db2.gz LPTFOMTXSDLGBZ-QGZVFWFLSA-N -1 1 344.455 3.575 20 0 EHADMM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000548770378 1027743283 /nfs/dbraw/zinc/74/32/83/1027743283.db2.gz ZXEKJAZTIJNCCH-HNNXBMFYSA-N -1 1 335.407 3.990 20 0 EHADMM CC(C)(C)[C@@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)c2ccccc21 ZINC000444637962 1028087580 /nfs/dbraw/zinc/08/75/80/1028087580.db2.gz SVIRDADANZUSCH-CQSZACIVSA-N -1 1 341.480 3.929 20 0 EHADMM CC[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C(F)(F)F)c1)OC ZINC000421158529 1028138155 /nfs/dbraw/zinc/13/81/55/1028138155.db2.gz SHAFOXHXEIXNQG-LLVKDONJSA-N -1 1 345.770 3.526 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1F ZINC000533689955 1028348207 /nfs/dbraw/zinc/34/82/07/1028348207.db2.gz VCLGUUCYFUIUNW-UHFFFAOYSA-N -1 1 347.770 3.818 20 0 EHADMM O=C(NCc1ccc(Br)s1)c1cc(Cl)ccc1[O-] ZINC000025472504 1028466984 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COc1ccccc1[C@@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477244 1028833964 /nfs/dbraw/zinc/83/39/64/1028833964.db2.gz BGYDCYXDCSAONE-NSHDSACASA-N -1 1 328.343 3.936 20 0 EHADMM CC(C)C(=O)Nc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445483098 1028842935 /nfs/dbraw/zinc/84/29/35/1028842935.db2.gz VHFVVABVRITVIX-UHFFFAOYSA-N -1 1 341.342 3.843 20 0 EHADMM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000006820297 1028876862 /nfs/dbraw/zinc/87/68/62/1028876862.db2.gz VKVPPRBZGSUNKF-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM C[C@H]1CCCN(Cc2ccc(Br)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000424420396 1029045230 /nfs/dbraw/zinc/04/52/30/1029045230.db2.gz QLVSTMLMJVWTOF-TVQRCGJNSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@@H]1CCCN(Cc2ccc(Br)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000424420391 1029046168 /nfs/dbraw/zinc/04/61/68/1029046168.db2.gz QLVSTMLMJVWTOF-NOZJJQNGSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@H]1CCCN(Cc2ccc(-c3c(F)cccc3F)o2)[C@H]1C(=O)[O-] ZINC000424413264 1029059019 /nfs/dbraw/zinc/05/90/19/1029059019.db2.gz FLJYNSUCJHIYCE-APPDUMDISA-N -1 1 335.350 3.910 20 0 EHADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436989558 1029086556 /nfs/dbraw/zinc/08/65/56/1029086556.db2.gz MOKKAPMCYFKKBF-XVKPBYJWSA-N -1 1 341.251 3.824 20 0 EHADMM Cc1ccc2c([n-]cc(C(=O)N3CCC(c4ccccc4)CC3)c2=O)[nH+]1 ZINC000079791684 1029184061 /nfs/dbraw/zinc/18/40/61/1029184061.db2.gz FNPSYMIVUWXGSX-UHFFFAOYSA-N -1 1 347.418 3.664 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CCC(c4ccccc4)CC3)cnc2n1 ZINC000079791684 1029184066 /nfs/dbraw/zinc/18/40/66/1029184066.db2.gz FNPSYMIVUWXGSX-UHFFFAOYSA-N -1 1 347.418 3.664 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2o1 ZINC000074838573 1029224803 /nfs/dbraw/zinc/22/48/03/1029224803.db2.gz KOGRELVRYATPEM-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000080053658 1029581460 /nfs/dbraw/zinc/58/14/60/1029581460.db2.gz FSRADDJKGRISLO-UHFFFAOYSA-N -1 1 327.405 3.787 20 0 EHADMM CC[C@H](C)[C@H](NCC(=O)Nc1c(C(C)C)cccc1C(C)C)C(=O)[O-] ZINC000263150416 1029669823 /nfs/dbraw/zinc/66/98/23/1029669823.db2.gz PJCYVCFSLCHFFI-KSSFIOAISA-N -1 1 348.487 3.961 20 0 EHADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000525189644 1029735602 /nfs/dbraw/zinc/73/56/02/1029735602.db2.gz PTUXKRKSCHUATC-UHFFFAOYSA-N -1 1 335.400 3.650 20 0 EHADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccccc2C)c1-c1cccs1 ZINC000446970434 1029877069 /nfs/dbraw/zinc/87/70/69/1029877069.db2.gz ASYFHCIGYOOFKU-UHFFFAOYSA-N -1 1 347.465 3.810 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1OC(C)C ZINC000447267090 1030055852 /nfs/dbraw/zinc/05/58/52/1030055852.db2.gz ZIJQSZPJGGCDAF-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM CC(C)c1ccc2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)[nH]c2c1 ZINC000042363165 1030337150 /nfs/dbraw/zinc/33/71/50/1030337150.db2.gz AMDAUQIOYNKNGV-UHFFFAOYSA-N -1 1 337.305 3.681 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1C(F)(F)F ZINC000447776998 1030477010 /nfs/dbraw/zinc/47/70/10/1030477010.db2.gz KPQWYWCJVSTLCQ-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000447786179 1030487929 /nfs/dbraw/zinc/48/79/29/1030487929.db2.gz DXSGKKUMBKOLON-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM CCc1nc(S[C@H](C)C(=O)Nc2cc(F)ccc2C)[n-]c(=O)c1C ZINC000583704389 1030493398 /nfs/dbraw/zinc/49/33/98/1030493398.db2.gz FFHHNWADTRGTNA-LLVKDONJSA-N -1 1 349.431 3.620 20 0 EHADMM CC(C)(C)c1ncc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)cn1 ZINC000901518295 1030599992 /nfs/dbraw/zinc/59/99/92/1030599992.db2.gz WYMITRWHAZWGGU-SFHVURJKSA-N -1 1 349.434 3.843 20 0 EHADMM COc1cc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000193911908 1030625871 /nfs/dbraw/zinc/62/58/71/1030625871.db2.gz CBYQBVFWRYMLJV-UHFFFAOYSA-N -1 1 337.162 3.611 20 0 EHADMM CCOc1cc(C(=O)NCCc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000192724853 1031440352 /nfs/dbraw/zinc/44/03/52/1031440352.db2.gz QDJJCCGOAAPNGR-UHFFFAOYSA-N -1 1 337.778 3.556 20 0 EHADMM COC1(C[C@H](NCc2ccc(-c3ccc(F)cc3)o2)C(=O)[O-])CCC1 ZINC000904020493 1031611752 /nfs/dbraw/zinc/61/17/52/1031611752.db2.gz IYRDHHXPTJDMBA-INIZCTEOSA-N -1 1 347.386 3.588 20 0 EHADMM CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccccc2F)c(C)c1 ZINC000904044467 1031660914 /nfs/dbraw/zinc/66/09/14/1031660914.db2.gz AOMASSUKCPZDBL-GOSISDBHSA-N -1 1 331.387 3.838 20 0 EHADMM CCn1c(CN[C@H](CC(=O)[O-])c2cccc(C)c2)nc2ccccc21 ZINC000904046257 1031667256 /nfs/dbraw/zinc/66/72/56/1031667256.db2.gz YGKVYQZINIWTOP-QGZVFWFLSA-N -1 1 337.423 3.670 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1F ZINC000475741697 1031761716 /nfs/dbraw/zinc/76/17/16/1031761716.db2.gz YEGCOINEWAXLRG-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM O=C(N[C@H](c1nccs1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000179542589 1031784070 /nfs/dbraw/zinc/78/40/70/1031784070.db2.gz CFXYHSPBGSLLSG-HNNXBMFYSA-N -1 1 328.368 3.507 20 0 EHADMM CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000904401263 1032016119 /nfs/dbraw/zinc/01/61/19/1032016119.db2.gz NOQYFYFSAQNBEZ-LJQANCHMSA-N -1 1 329.444 3.523 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3scnc3C(C)C)[nH][n-]2)s1 ZINC000449834008 1033303095 /nfs/dbraw/zinc/30/30/95/1033303095.db2.gz JNJLQTBFYRNUEW-UHFFFAOYSA-N -1 1 332.454 3.701 20 0 EHADMM O=C(COc1cccc(C(F)(F)F)c1)Nc1c([O-])cccc1F ZINC000608365982 1033639823 /nfs/dbraw/zinc/63/98/23/1033639823.db2.gz XIYVRQKISCUNTR-UHFFFAOYSA-N -1 1 329.249 3.568 20 0 EHADMM O=C(COc1ccc(Cl)cc1Cl)Nc1c([O-])cccc1F ZINC000608367486 1033643101 /nfs/dbraw/zinc/64/31/01/1033643101.db2.gz RSJWIRDHOZERAZ-UHFFFAOYSA-N -1 1 330.142 3.856 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CCC(C4CCCC4)CC3)cnc2n1 ZINC000608475311 1033702928 /nfs/dbraw/zinc/70/29/28/1033702928.db2.gz WORLPXZDDDMVGM-UHFFFAOYSA-N -1 1 339.439 3.686 20 0 EHADMM Cc1ccc2c(=O)c(C(=O)N3CCC(C4CCCC4)CC3)c[n-]c2n1 ZINC000608475311 1033702947 /nfs/dbraw/zinc/70/29/47/1033702947.db2.gz WORLPXZDDDMVGM-UHFFFAOYSA-N -1 1 339.439 3.686 20 0 EHADMM COc1ccccc1OCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445446422 1033904986 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O=C(c1ncc2ccccc2c1[O-])N1CCOC2(C1)CCCCCC2 ZINC000612472513 1034970491 /nfs/dbraw/zinc/97/04/91/1034970491.db2.gz QOWSMRNWUIOULM-UHFFFAOYSA-N -1 1 340.423 3.506 20 0 EHADMM O=C([O-])c1ccc(F)c2c1CN(CCOc1ccc(Cl)cc1)CC2 ZINC000530170256 1035019571 /nfs/dbraw/zinc/01/95/71/1035019571.db2.gz WFEHHIPDRKAVKY-UHFFFAOYSA-N -1 1 349.789 3.614 20 0 EHADMM CC[C@H](Sc1nc(C)c(C)c(=O)[n-]1)C(=O)c1ccc(OC)cc1 ZINC000540715792 1035602300 /nfs/dbraw/zinc/60/23/00/1035602300.db2.gz QYKSAGQPHRSWCT-AWEZNQCLSA-N -1 1 332.425 3.561 20 0 EHADMM CCN(CC)C(=O)[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000540719373 1035608899 /nfs/dbraw/zinc/60/88/99/1035608899.db2.gz IAKLIQCAQWFGHM-HNNXBMFYSA-N -1 1 345.468 3.501 20 0 EHADMM Cc1nc(-c2ccc(N3CCC=C(c4ccco4)C3)nc2)[n-]c(=O)c1C ZINC000376262992 1035708216 /nfs/dbraw/zinc/70/82/16/1035708216.db2.gz VRWZFZCQJCGBGB-UHFFFAOYSA-N -1 1 348.406 3.748 20 0 EHADMM O=S(=O)([N-]Cc1ccc(Cl)s1)c1c(F)cccc1Cl ZINC000463683074 1035739953 /nfs/dbraw/zinc/73/99/53/1035739953.db2.gz LCBGZTVNASZHAY-UHFFFAOYSA-N -1 1 340.228 3.673 20 0 EHADMM COC(=O)c1c[n-]c(SCc2nc(-c3cccs3)oc2C)n1 ZINC000187591477 1035843088 /nfs/dbraw/zinc/84/30/88/1035843088.db2.gz XOGSRHJOQUYVTN-UHFFFAOYSA-N -1 1 335.410 3.514 20 0 EHADMM Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)oc1C(=O)[O-] ZINC000572127552 1036006874 /nfs/dbraw/zinc/00/68/74/1036006874.db2.gz JEEMLTVEWYIWEB-LBPRGKRZSA-N -1 1 331.334 3.841 20 0 EHADMM Cc1cc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)oc1C(=O)[O-] ZINC000572127552 1036006896 /nfs/dbraw/zinc/00/68/96/1036006896.db2.gz JEEMLTVEWYIWEB-LBPRGKRZSA-N -1 1 331.334 3.841 20 0 EHADMM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000588834737 1036132796 /nfs/dbraw/zinc/13/27/96/1036132796.db2.gz VBAMFXCOZSGHBS-UHFFFAOYSA-N -1 1 338.791 3.772 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)cc1C ZINC000588833180 1036148280 /nfs/dbraw/zinc/14/82/80/1036148280.db2.gz UYVNVLLWDFGYOR-UHFFFAOYSA-N -1 1 346.452 3.821 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccccc1N1CCCC1=O ZINC000190927232 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336.171 3.639 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000649067172 1122617235 /nfs/dbraw/zinc/61/72/35/1122617235.db2.gz QVDCOQUIZDCAQT-OLZOCXBDSA-N -1 1 349.500 3.501 20 0 EHADMM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccccc1[O-] ZINC000917501411 1122617314 /nfs/dbraw/zinc/61/73/14/1122617314.db2.gz USZZMTMAIMYDSN-UHFFFAOYSA-N -1 1 333.391 3.844 20 0 EHADMM CC(C)Cc1nnc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000670414856 1122697711 /nfs/dbraw/zinc/69/77/11/1122697711.db2.gz MKHKWDMVIWFBRB-UHFFFAOYSA-N -1 1 345.346 3.713 20 0 EHADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1c([O-])cccc1Cl ZINC000763423463 1122698473 /nfs/dbraw/zinc/69/84/73/1122698473.db2.gz XMNGRXUVUGJSGB-UHFFFAOYSA-N -1 1 349.814 3.725 20 0 EHADMM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1(C)C ZINC000670418268 1122706195 /nfs/dbraw/zinc/70/61/95/1122706195.db2.gz KTPMTDOLYQTCLT-CJNGLKHVSA-N -1 1 345.361 3.687 20 0 EHADMM CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1(C)C 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20 0 EHADMM [O-]c1cccnc1-c1nc(-c2ncc(C(F)(F)F)cc2Cl)no1 ZINC001212482296 1129093416 /nfs/dbraw/zinc/09/34/16/1129093416.db2.gz HVGJHSCRRUVEGW-UHFFFAOYSA-N -1 1 342.664 3.571 20 0 EHADMM COc1ccc(CCCN(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000133083426 1123338739 /nfs/dbraw/zinc/33/87/39/1123338739.db2.gz GZIOFCHXVACAFL-UHFFFAOYSA-N -1 1 333.815 3.759 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000077704793 1123575809 /nfs/dbraw/zinc/57/58/09/1123575809.db2.gz NHCGIYAKJWZCME-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000135392661 1123607604 /nfs/dbraw/zinc/60/76/04/1123607604.db2.gz JSNJDFXTMRKVOO-UHFFFAOYSA-N -1 1 335.450 3.802 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)ccc2o1 ZINC000078235325 1123608338 /nfs/dbraw/zinc/60/83/38/1123608338.db2.gz RBSAOJKMRYRGFJ-UHFFFAOYSA-N -1 1 334.372 3.693 20 0 EHADMM CSc1nsc([N-]C(=O)c2ccc(-c3ccccc3F)o2)n1 ZINC000078326485 1123619459 /nfs/dbraw/zinc/61/94/59/1123619459.db2.gz 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EHADMM CSc1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000509103916 1129751735 /nfs/dbraw/zinc/75/17/35/1129751735.db2.gz SCABFUJDPOAPFA-UHFFFAOYSA-N -1 1 325.480 3.931 20 0 EHADMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000625493115 1129904425 /nfs/dbraw/zinc/90/44/25/1129904425.db2.gz LBLQDZKWBIYPNH-UHFFFAOYSA-N -1 1 349.374 3.922 20 0 EHADMM CCc1n[n-]c(=S)n1CCNC(=O)[C@@H](CC)CC1CCCCC1 ZINC000073997868 1129905513 /nfs/dbraw/zinc/90/55/13/1129905513.db2.gz OPLFKCNGZFPKQF-AWEZNQCLSA-N -1 1 338.521 3.616 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000171339197 1130046637 /nfs/dbraw/zinc/04/66/37/1130046637.db2.gz YMRIYHDUXZFASX-UHFFFAOYSA-N -1 1 349.452 3.559 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000171329190 1130047169 /nfs/dbraw/zinc/04/71/69/1130047169.db2.gz LOGCAGGFUMVBEP-UHFFFAOYSA-N -1 1 327.405 3.787 20 0 EHADMM CC(C)(C)Oc1cccc(CCC(=O)Nc2c([O-])cccc2F)n1 ZINC000675220121 1130287144 /nfs/dbraw/zinc/28/71/44/1130287144.db2.gz 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1132046966 /nfs/dbraw/zinc/04/69/66/1132046966.db2.gz ULIYRHDHLZKNSI-UHFFFAOYSA-N -1 1 338.367 3.611 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000744532922 1132118617 /nfs/dbraw/zinc/11/86/17/1132118617.db2.gz FHETXGZEGPBERB-ROUUACIJSA-N -1 1 342.366 3.623 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2ccc(C)cc2C)c1 ZINC000744632704 1132132502 /nfs/dbraw/zinc/13/25/02/1132132502.db2.gz NLSCUJOPZBIPAC-UHFFFAOYSA-N -1 1 340.419 3.930 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(OC(C)C)cc2)c1 ZINC001174110007 1132230575 /nfs/dbraw/zinc/23/05/75/1132230575.db2.gz VLBAULRMXYSEFK-UHFFFAOYSA-N -1 1 335.425 3.717 20 0 EHADMM O=C(OCc1csc(-c2ccccn2)n1)c1c([O-])cc(F)cc1F ZINC000745523289 1132260620 /nfs/dbraw/zinc/26/06/20/1132260620.db2.gz ZJAQMSOYWRCMPW-UHFFFAOYSA-N -1 1 348.330 3.546 20 0 EHADMM O=C(NCc1ccco1)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174201498 1132282316 /nfs/dbraw/zinc/28/23/16/1132282316.db2.gz HPDCUXOUGFEHQV-UHFFFAOYSA-N -1 1 344.317 3.937 20 0 EHADMM 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CCCCc1ccc(S(=O)(=O)[N-]c2ncc(F)cc2F)cc1 ZINC001191225472 1134829882 /nfs/dbraw/zinc/82/98/82/1134829882.db2.gz YLIQXMWWYPMGBY-UHFFFAOYSA-N -1 1 326.368 3.503 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC001191821498 1134929811 /nfs/dbraw/zinc/92/98/11/1134929811.db2.gz RBIOBIDJSSBDRF-UHFFFAOYSA-N -1 1 345.342 3.612 20 0 EHADMM Cc1cc(C)c(O)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191897991 1134940283 /nfs/dbraw/zinc/94/02/83/1134940283.db2.gz LGDLLRQMFXEUMV-UHFFFAOYSA-N -1 1 343.807 3.743 20 0 EHADMM Cc1ncn(C)c1[N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC001192065347 1134963724 /nfs/dbraw/zinc/96/37/24/1134963724.db2.gz JCUWZWQBFQIEPQ-UHFFFAOYSA-N -1 1 341.436 3.505 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2ncnc3sccc32)c([O-])c1 ZINC001192314227 1134997992 /nfs/dbraw/zinc/99/79/92/1134997992.db2.gz LAYOAEUWLDWCQF-UHFFFAOYSA-N -1 1 327.409 3.947 20 0 EHADMM O=C(Nc1ccncc1Oc1ccccc1)c1c(F)ccc([O-])c1F ZINC001192524541 1135026850 /nfs/dbraw/zinc/02/68/50/1135026850.db2.gz 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CCOC(=O)NC(=S)[N-]c1cc(C)c(Br)cc1C ZINC001195484757 1135431926 /nfs/dbraw/zinc/43/19/26/1135431926.db2.gz QATDONMSHPZCNH-UHFFFAOYSA-N -1 1 331.235 3.509 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc2nc(C(F)(F)F)ccc2c1 ZINC001195490870 1135433002 /nfs/dbraw/zinc/43/30/02/1135433002.db2.gz PBJFECFRENYHMG-UHFFFAOYSA-N -1 1 343.330 3.697 20 0 EHADMM Cc1ccc(Cl)cc1C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001195678436 1135449842 /nfs/dbraw/zinc/44/98/42/1135449842.db2.gz XJJAQCCOQDEMEV-UHFFFAOYSA-N -1 1 349.761 3.544 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2[S-])c1 ZINC001196757896 1135609078 /nfs/dbraw/zinc/60/90/78/1135609078.db2.gz PKTRBSHQOLZCER-UHFFFAOYSA-N -1 1 347.820 3.577 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc3ccccc3n2C)c(C)c1 ZINC001196859000 1135624289 /nfs/dbraw/zinc/62/42/89/1135624289.db2.gz UVAJIEIINQEBKE-UHFFFAOYSA-N -1 1 344.436 3.605 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cccc1N(C)C ZINC000808547742 1135693635 /nfs/dbraw/zinc/69/36/35/1135693635.db2.gz DBOKUVRRQRRZHC-UHFFFAOYSA-N -1 1 340.395 3.799 20 0 EHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc2ccc(O)cc21 ZINC001197599595 1135713342 /nfs/dbraw/zinc/71/33/42/1135713342.db2.gz CNHCLADXMXYRLY-UHFFFAOYSA-N -1 1 349.358 3.766 20 0 EHADMM COc1cccc(Cl)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197603528 1135714430 /nfs/dbraw/zinc/71/44/30/1135714430.db2.gz SVIWJKMNWCINGZ-UHFFFAOYSA-N -1 1 347.770 3.569 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C2CC3(CSC3)C2)c1 ZINC000867251567 1135761537 /nfs/dbraw/zinc/76/15/37/1135761537.db2.gz FXMIXUNVIVLBKH-UHFFFAOYSA-N -1 1 342.258 3.545 20 0 EHADMM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153475 1135779721 /nfs/dbraw/zinc/77/97/21/1135779721.db2.gz OZSHPMCRODTIFT-UHFFFAOYSA-N -1 1 341.436 3.862 20 0 EHADMM CC(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153135 1135780016 /nfs/dbraw/zinc/78/00/16/1135780016.db2.gz JACFNMDASCYDOM-UHFFFAOYSA-N -1 1 341.436 3.629 20 0 EHADMM CN1CCCc2ccc([N-]S(=O)(=O)c3ccc4occc4c3)cc21 ZINC001198861854 1135862492 /nfs/dbraw/zinc/86/24/92/1135862492.db2.gz LPTMWIPFLPPGAI-UHFFFAOYSA-N -1 1 342.420 3.616 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000143066885 1135887271 /nfs/dbraw/zinc/88/72/71/1135887271.db2.gz VQIDLPLMBVYEFT-LBPRGKRZSA-N -1 1 341.798 3.722 20 0 EHADMM CN1Cc2cc(OC(=O)c3cc4cc(Cl)sc4[n-]3)ccc2C1=O ZINC000810649243 1135989991 /nfs/dbraw/zinc/98/99/91/1135989991.db2.gz BIBZOPZUUGERPG-UHFFFAOYSA-N -1 1 346.795 3.688 20 0 EHADMM Cc1cnc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(F)c1 ZINC001201792824 1136062790 /nfs/dbraw/zinc/06/27/90/1136062790.db2.gz ROIBJPNBPWAUGY-UHFFFAOYSA-N -1 1 336.432 3.872 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1ccc(F)cc1F ZINC001202015370 1136081517 /nfs/dbraw/zinc/08/15/17/1136081517.db2.gz VNHHDLWNMGJLJF-UHFFFAOYSA-N -1 1 330.294 3.500 20 0 EHADMM CCOC(=O)c1nc(NC(=O)CC2(C)CCCCC2)[n-]c1Cl ZINC001133885397 1136354914 /nfs/dbraw/zinc/35/49/14/1136354914.db2.gz KZYAKEMLBPAAFB-UHFFFAOYSA-N -1 1 327.812 3.539 20 0 EHADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111668703 1136569804 /nfs/dbraw/zinc/56/98/04/1136569804.db2.gz XHLVAAZXDBQYHS-YGRLFVJLSA-N -1 1 344.798 3.892 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)[C@H]2CCC2(C)C)c1 ZINC000854846413 1136648314 /nfs/dbraw/zinc/64/83/14/1136648314.db2.gz VFEYIBUVFNTRQT-CYBMUJFWSA-N -1 1 342.361 3.548 20 0 EHADMM CC1(c2cc([N-]C(=O)c3ncoc3[C@@H]3CCCO3)no2)CCCC1 ZINC001135372619 1136671755 /nfs/dbraw/zinc/67/17/55/1136671755.db2.gz BCTGHTCRPBSFAP-NSHDSACASA-N -1 1 331.372 3.598 20 0 EHADMM O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC001135405460 1136678554 /nfs/dbraw/zinc/67/85/54/1136678554.db2.gz LWBLNORLAVJRBQ-UHFFFAOYSA-N -1 1 346.415 3.937 20 0 EHADMM Cc1cccc(CN(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1C ZINC000816788380 1136753750 /nfs/dbraw/zinc/75/37/50/1136753750.db2.gz FKCUOZQTSZNQKH-UHFFFAOYSA-N -1 1 327.428 3.503 20 0 EHADMM C[C@@H](NC(=O)c1ccc([O-])cn1)C(c1ccccc1)c1ccccc1 ZINC001135794272 1136771235 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Cc1ccc(NC(=O)c2cccc([O-])c2F)c(OC[C@H]2CCCO2)c1 ZINC001136393802 1137009141 /nfs/dbraw/zinc/00/91/41/1137009141.db2.gz ZSKPNYHZEZAWJA-CYBMUJFWSA-N -1 1 345.370 3.650 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCCc2cc(OC(F)F)ccc21 ZINC001136393181 1137009268 /nfs/dbraw/zinc/00/92/68/1137009268.db2.gz GNBWHGCIHOJMIC-UHFFFAOYSA-N -1 1 337.297 3.726 20 0 EHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)c1 ZINC000821123987 1137017736 /nfs/dbraw/zinc/01/77/36/1137017736.db2.gz KYNBJJGPMYIWKS-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM CCn1ncc2ccc(NC(=O)c3cc(SC)ccc3[O-])cc21 ZINC001136500722 1137038571 /nfs/dbraw/zinc/03/85/71/1137038571.db2.gz YRKBSJDVMYYKGP-UHFFFAOYSA-N -1 1 327.409 3.736 20 0 EHADMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136748574 1137106222 /nfs/dbraw/zinc/10/62/22/1137106222.db2.gz RNKGYSWRZQEIPJ-MRXNPFEDSA-N -1 1 345.826 3.918 20 0 EHADMM CCC(F)(F)C(=O)[N-][C@H](C)c1cc(F)c(Br)cc1F ZINC000862637062 1137152873 /nfs/dbraw/zinc/15/28/73/1137152873.db2.gz JFVMEJLMHCJUIA-ZCFIWIBFSA-N -1 1 342.130 3.950 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC2CC(OC(C)C)C2)c1 ZINC000825011769 1137159973 /nfs/dbraw/zinc/15/99/73/1137159973.db2.gz WMRSCUNHIGSTPZ-UHFFFAOYSA-N -1 1 344.377 3.541 20 0 EHADMM O=C([N-]C1CC(F)(F)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843865254 1137185140 /nfs/dbraw/zinc/18/51/40/1137185140.db2.gz PXQYVZPNCIEQNC-UHFFFAOYSA-N -1 1 330.108 3.999 20 0 EHADMM CC(C)OC[C@H](NCc1ccc(-c2cccc(F)c2)s1)C(=O)[O-] ZINC000864517222 1137231700 /nfs/dbraw/zinc/23/17/00/1137231700.db2.gz AGHIAIFRHIEJSN-HNNXBMFYSA-N -1 1 337.416 3.522 20 0 EHADMM Cc1cc2c(CC(=O)Nc3n[n-]c(C(F)(F)F)n3)csc2s1 ZINC000864975452 1137256025 /nfs/dbraw/zinc/25/60/25/1137256025.db2.gz VBKJKALEQIKGMN-UHFFFAOYSA-N -1 1 346.359 3.589 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccnn1C1CCCCC1 ZINC000865126245 1137264157 /nfs/dbraw/zinc/26/41/57/1137264157.db2.gz RWZNDEQDGDILRG-UHFFFAOYSA-N -1 1 333.819 3.929 20 0 EHADMM Cc1ccc([C@@H](C)C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC001144442657 1137294360 /nfs/dbraw/zinc/29/43/60/1137294360.db2.gz MFBHAEFJFCNUOH-SNVBAGLBSA-N -1 1 335.201 3.600 20 0 EHADMM CC(C)(C)c1csc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)n1 ZINC000865643676 1137301519 /nfs/dbraw/zinc/30/15/19/1137301519.db2.gz AUZGVKRVHMILEY-UHFFFAOYSA-N -1 1 328.441 3.944 20 0 EHADMM CSc1nc(C)c(CCC(=O)OCCC(C)(C)C2CC2)c(=O)[n-]1 ZINC000845884686 1137317155 /nfs/dbraw/zinc/31/71/55/1137317155.db2.gz RWCPVGHNTZZKEG-UHFFFAOYSA-N -1 1 338.473 3.515 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000846366298 1137348871 /nfs/dbraw/zinc/34/88/71/1137348871.db2.gz HMBJQXYCKWACSQ-UHFFFAOYSA-N -1 1 337.700 3.552 20 0 EHADMM Cc1cnc(C(=O)NC(C)(c2ccccc2)c2ccccc2)c([O-])c1 ZINC001144888365 1137360349 /nfs/dbraw/zinc/36/03/49/1137360349.db2.gz LFKNHHPGPWLBKQ-UHFFFAOYSA-N -1 1 332.403 3.789 20 0 EHADMM CCN(C(=O)c1cccc([O-])c1F)[C@H](C)Cc1ccc(OC)cc1 ZINC001146447468 1137390518 /nfs/dbraw/zinc/39/05/18/1137390518.db2.gz IPWIEBBWPAHSHY-CYBMUJFWSA-N -1 1 331.387 3.633 20 0 EHADMM Cc1c(CNC(=O)c2cc(C)cc(C=O)c2[O-])oc2ccc(F)cc12 ZINC001146868214 1137395732 /nfs/dbraw/zinc/39/57/32/1137395732.db2.gz FFOKETGBRVFFBP-UHFFFAOYSA-N -1 1 341.338 3.637 20 0 EHADMM CC(C)(NC(=O)c1ccc(F)c([O-])c1)c1nc2cc(Cl)ccc2o1 ZINC001171307985 1137408372 /nfs/dbraw/zinc/40/83/72/1137408372.db2.gz YQHWKSZHICSPPZ-UHFFFAOYSA-N -1 1 348.761 3.991 20 0 EHADMM C[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)c1cnccn1 ZINC001148251726 1137420586 /nfs/dbraw/zinc/42/05/86/1137420586.db2.gz ARSQLNOIOPPLJX-SNVBAGLBSA-N -1 1 327.771 3.731 20 0 EHADMM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1cc(Cl)ccc1[O-] ZINC001148627894 1137430091 /nfs/dbraw/zinc/43/00/91/1137430091.db2.gz SEKJMPIABAHOBF-UHFFFAOYSA-N -1 1 341.835 3.676 20 0 EHADMM C[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000235689665 1137432074 /nfs/dbraw/zinc/43/20/74/1137432074.db2.gz GJYQSDQPCRQHRE-CMPLNLGQSA-N -1 1 326.234 3.853 20 0 EHADMM O=C(NCCCCC1CC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000869054711 1137435038 /nfs/dbraw/zinc/43/50/38/1137435038.db2.gz HLINWPLHLPSSRV-UHFFFAOYSA-N -1 1 344.455 3.577 20 0 EHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCC[C@H](c2ncc[nH]2)C1 ZINC001148866532 1137436755 /nfs/dbraw/zinc/43/67/55/1137436755.db2.gz LAWLCAPIZDPLSP-INIZCTEOSA-N -1 1 347.418 3.802 20 0 EHADMM CC(C)c1noc([C@@H](C)OC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000751735567 1137469897 /nfs/dbraw/zinc/46/98/97/1137469897.db2.gz VGIRJKPDQLARJK-SSDOTTSWSA-N -1 1 328.727 3.609 20 0 EHADMM O=C(NNc1cccc(Cl)c1)c1cc(Br)ccc1[O-] ZINC000037143162 1137479555 /nfs/dbraw/zinc/47/95/55/1137479555.db2.gz UFQPHBYEFJURID-UHFFFAOYSA-N -1 1 341.592 3.565 20 0 EHADMM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cccc(F)c1[O-])C1CCCC1 ZINC001171638251 1137504790 /nfs/dbraw/zinc/50/47/90/1137504790.db2.gz TUYIMWYHGMSUCY-CQSZACIVSA-N -1 1 337.391 3.618 20 0 EHADMM C[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1cn(C)c2ccccc12 ZINC000871214047 1137527807 /nfs/dbraw/zinc/52/78/07/1137527807.db2.gz ARJKMTWZIUOGFZ-LLVKDONJSA-N -1 1 328.334 3.672 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871325384 1137536201 /nfs/dbraw/zinc/53/62/01/1137536201.db2.gz VXQSRPLWPDTGII-OAHLLOKOSA-N -1 1 337.847 3.538 20 0 EHADMM CCOc1ccc2nc(-c3cccc(N4CCCC4=O)c3)[n-]c(=O)c2c1 ZINC000871602099 1137548406 /nfs/dbraw/zinc/54/84/06/1137548406.db2.gz VDMZEICSGQCUIE-UHFFFAOYSA-N -1 1 349.390 3.528 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2c(C)ccc3ccccc32)[nH]nc1C1CC1 ZINC000872002963 1137564219 /nfs/dbraw/zinc/56/42/19/1137564219.db2.gz IMRCRCXSVFCATL-UHFFFAOYSA-N -1 1 341.436 3.858 20 0 EHADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(OC)ccc1C1CC1 ZINC000872413546 1137579725 /nfs/dbraw/zinc/57/97/25/1137579725.db2.gz NETBJMHZCVOMPW-UHFFFAOYSA-N -1 1 347.436 3.520 20 0 EHADMM C[C@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)Cc1cccs1 ZINC001137082359 1137621254 /nfs/dbraw/zinc/62/12/54/1137621254.db2.gz XEHSPUJJUQZBOA-NSHDSACASA-N -1 1 344.411 3.750 20 0 EHADMM CS[C@H]1CC[C@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001137092700 1137636701 /nfs/dbraw/zinc/63/67/01/1137636701.db2.gz DBKZVJKWTUGCSM-QWRGUYRKSA-N -1 1 333.375 3.767 20 0 EHADMM CC1(NC(=O)NCc2ccc([O-])c(Cl)c2)CCC(F)(F)CC1 ZINC000876395336 1137650762 /nfs/dbraw/zinc/65/07/62/1137650762.db2.gz FAZABDODXPTTIS-UHFFFAOYSA-N -1 1 332.778 3.813 20 0 EHADMM CCC[C@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000027461890 1137857205 /nfs/dbraw/zinc/85/72/05/1137857205.db2.gz BLPZBBBLNBWMIQ-ZDUSSCGKSA-N -1 1 332.473 3.611 20 0 EHADMM O=S(=O)([N-][C@@H]1Cc2ccc(Cl)cc2C1)c1cc2ccccc2o1 ZINC000800156942 1137900260 /nfs/dbraw/zinc/90/02/60/1137900260.db2.gz CFDUYXWKEPJEAZ-OAHLLOKOSA-N -1 1 347.823 3.532 20 0 EHADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000121384399 1137957385 /nfs/dbraw/zinc/95/73/85/1137957385.db2.gz VVZSFZBIIWARCO-WCQYABFASA-N -1 1 343.427 3.502 20 0 EHADMM C[C@H](Cc1cccs1)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001137212005 1137963934 /nfs/dbraw/zinc/96/39/34/1137963934.db2.gz HPNQAGHPKMJZQC-GFCCVEGCSA-N -1 1 326.421 3.705 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000890239347 1138002599 /nfs/dbraw/zinc/00/25/99/1138002599.db2.gz CMNZYTZWSAQHNW-WFASDCNBSA-N -1 1 346.427 3.754 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cnc(CC2CC2)s1 ZINC000885680694 1138018153 /nfs/dbraw/zinc/01/81/53/1138018153.db2.gz WLAYOVPGEQSQBL-UHFFFAOYSA-N -1 1 326.780 3.846 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2CCc3cccnc32)c1 ZINC000886620127 1138102843 /nfs/dbraw/zinc/10/28/43/1138102843.db2.gz CIBKLOVYDMPHLM-HNNXBMFYSA-N -1 1 349.356 3.668 20 0 EHADMM CCN(CC)C(=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001212824641 1138468533 /nfs/dbraw/zinc/46/85/33/1138468533.db2.gz NVIREAKQLOONPP-UHFFFAOYSA-N -1 1 337.782 3.805 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000337781884 1138666516 /nfs/dbraw/zinc/66/65/16/1138666516.db2.gz UHDZQOXYHLJKHQ-UHFFFAOYSA-N -1 1 330.434 3.758 20 0 EHADMM CO[C@H](C)c1nc(=NCCCO[C@@H]2CCCc3ccccc32)s[n-]1 ZINC000337886433 1138691340 /nfs/dbraw/zinc/69/13/40/1138691340.db2.gz YGEJYWIDQXHXSK-CZUORRHYSA-N -1 1 347.484 3.564 20 0 EHADMM CN(Cc1cccs1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338336549 1138839136 /nfs/dbraw/zinc/83/91/36/1138839136.db2.gz DQAHYBZKQGXESS-UHFFFAOYSA-N -1 1 332.812 3.928 20 0 EHADMM COc1ccccc1[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000153112824 1139123462 /nfs/dbraw/zinc/12/34/62/1139123462.db2.gz BLVIWRWYBMHTQP-LBPRGKRZSA-N -1 1 331.799 3.684 20 0 EHADMM CCCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889791096 1139268666 /nfs/dbraw/zinc/26/86/66/1139268666.db2.gz CIXCPKWHJXIUQG-LSDHHAIUSA-N -1 1 349.475 3.851 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H](C)[C@H]2C)cc1 ZINC000177118768 1139598636 /nfs/dbraw/zinc/59/86/36/1139598636.db2.gz SDGLOKFIAFIZIA-UONOGXRCSA-N -1 1 344.484 3.563 20 0 EHADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-])c1nccs1 ZINC000182516436 1139977159 /nfs/dbraw/zinc/97/71/59/1139977159.db2.gz SXQCKZWZJBNVTH-VIFPVBQESA-N -1 1 344.358 3.743 20 0 EHADMM Cc1c(=O)[n-]c(SCc2nc(C(C)C)no2)nc1-c1ccccc1 ZINC000184872661 1140124256 /nfs/dbraw/zinc/12/42/56/1140124256.db2.gz YETQXJNKDLMTDI-UHFFFAOYSA-N -1 1 342.424 3.544 20 0 EHADMM CCOc1cc(C(=O)NCc2ccc(COC)cc2)cc(Cl)c1[O-] ZINC000186591655 1140212474 /nfs/dbraw/zinc/21/24/74/1140212474.db2.gz DGWVYGOSRMGQNW-UHFFFAOYSA-N -1 1 349.814 3.521 20 0 EHADMM O=c1nc(CN2CC[C@@H](c3ccc(F)cc3)C2)[n-]c2ccsc21 ZINC000268027476 1140870055 /nfs/dbraw/zinc/87/00/55/1140870055.db2.gz LBINJLSMPZUMBC-GFCCVEGCSA-N -1 1 329.400 3.526 20 0 EHADMM Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000271300262 1141342024 /nfs/dbraw/zinc/34/20/24/1141342024.db2.gz UKRGQDOJHNXTRZ-UHFFFAOYSA-N -1 1 340.423 3.778 20 0 EHADMM COc1ccc(-c2nc(Cc3csc(C(C)C)n3)no2)c([O-])c1 ZINC000273991390 1141458553 /nfs/dbraw/zinc/45/85/53/1141458553.db2.gz YTKUYDLBHPIISS-UHFFFAOYSA-N -1 1 331.397 3.622 20 0 EHADMM Cn1ccnc1[C@H](NCc1cccc([O-])c1Cl)c1ccccc1F ZINC000339189536 1141522900 /nfs/dbraw/zinc/52/29/00/1141522900.db2.gz VTUIBYVTOJZMAA-QGZVFWFLSA-N -1 1 345.805 3.797 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000055595183 214333440 /nfs/dbraw/zinc/33/34/40/214333440.db2.gz TXJNESLVJKYUIH-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM O=C([O-])C[C@H](NCc1ccccc1Br)c1cccs1 ZINC000037088058 213133352 /nfs/dbraw/zinc/13/33/52/213133352.db2.gz SIONOFOLSZPJMK-LBPRGKRZSA-N -1 1 340.242 3.816 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2nnc(-c3ccccc3)o2)n1 ZINC000009794145 211124456 /nfs/dbraw/zinc/12/44/56/211124456.db2.gz IZNFRILRRSUJMF-NSHDSACASA-N -1 1 342.424 3.626 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000320532568 597076141 /nfs/dbraw/zinc/07/61/41/597076141.db2.gz PZFTXNSUIGFYIX-LBPRGKRZSA-N -1 1 334.803 3.682 20 0 EHADMM c1csc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000738453014 599258781 /nfs/dbraw/zinc/25/87/81/599258781.db2.gz SPUIOHGUETVLPX-HNNXBMFYSA-N -1 1 348.435 3.818 20 0 EHADMM c1csc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000738453014 599258783 /nfs/dbraw/zinc/25/87/83/599258783.db2.gz SPUIOHGUETVLPX-HNNXBMFYSA-N -1 1 348.435 3.818 20 0 EHADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)c2cccnc2c1C ZINC000822209696 607318596 /nfs/dbraw/zinc/31/85/96/607318596.db2.gz SKXSWRZQNQQSSO-UHFFFAOYSA-N -1 1 336.424 3.705 20 0 EHADMM O=C([O-])CCCCN1CCC[C@@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000262157514 597795595 /nfs/dbraw/zinc/79/55/95/597795595.db2.gz ARMYOFGEYYQAJP-MRXNPFEDSA-N -1 1 331.391 3.608 20 0 EHADMM Cc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000822229009 599486279 /nfs/dbraw/zinc/48/62/79/599486279.db2.gz KLIMLSZUWCNFME-CYBMUJFWSA-N -1 1 330.395 3.896 20 0 EHADMM Cc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000822229009 599486280 /nfs/dbraw/zinc/48/62/80/599486280.db2.gz KLIMLSZUWCNFME-CYBMUJFWSA-N -1 1 330.395 3.896 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000737084437 599705940 /nfs/dbraw/zinc/70/59/40/599705940.db2.gz ACUJEHPSOMWFSE-SFHVURJKSA-N -1 1 340.423 3.715 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000321103356 599754423 /nfs/dbraw/zinc/75/44/23/599754423.db2.gz XIXIMJFOTJFLAT-OAHLLOKOSA-N -1 1 334.803 3.824 20 0 EHADMM O=C([O-])[C@@H](NCc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000683172765 599788030 /nfs/dbraw/zinc/78/80/30/599788030.db2.gz HIINBEGOOKLGQK-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1csc(-c2ccccc2F)n1 ZINC000650506614 599873994 /nfs/dbraw/zinc/87/39/94/599873994.db2.gz SGJQBOSLQQKBFF-CYBMUJFWSA-N -1 1 334.416 3.778 20 0 EHADMM COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000576285484 600048993 /nfs/dbraw/zinc/04/89/93/600048993.db2.gz JVYZQYCNALJTFC-KRWDZBQOSA-N -1 1 345.395 3.641 20 0 EHADMM C[C@@H](c1ccc(Br)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405364056 600296012 /nfs/dbraw/zinc/29/60/12/600296012.db2.gz RTRHIGURZATPDU-FZMZJTMJSA-N -1 1 338.245 3.697 20 0 EHADMM CCN(CCC(=O)[O-])Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000737096609 600422970 /nfs/dbraw/zinc/42/29/70/600422970.db2.gz PGTFJSOZDFOAFU-UHFFFAOYSA-N -1 1 342.770 3.644 20 0 EHADMM C[C@H]1c2c(F)cccc2CCN1CCOc1cccc(C(=O)[O-])c1 ZINC000736837186 600440299 /nfs/dbraw/zinc/44/02/99/600440299.db2.gz KFTSHLXJJONNCD-ZDUSSCGKSA-N -1 1 329.371 3.522 20 0 EHADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000738522091 600442595 /nfs/dbraw/zinc/44/25/95/600442595.db2.gz ZYXHLMLTWXVYBT-HNNXBMFYSA-N -1 1 344.455 3.676 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@]3(CC=CCC3)C2)c(C)c1C(=O)[O-] ZINC000738237706 600449934 /nfs/dbraw/zinc/44/99/34/600449934.db2.gz WXYISMGTGPFTIC-MGPUTAFESA-N -1 1 344.455 3.723 20 0 EHADMM Cc1cccc(F)c1CNCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832969618 600809714 /nfs/dbraw/zinc/80/97/14/600809714.db2.gz MTBJYJSQWPYGSF-UHFFFAOYSA-N -1 1 331.387 3.504 20 0 EHADMM CCc1n[nH]c(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000830335791 600836419 /nfs/dbraw/zinc/83/64/19/600836419.db2.gz XTVZNLSFNNEUHW-SNVBAGLBSA-N -1 1 332.212 3.592 20 0 EHADMM CCc1nc(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n[nH]1 ZINC000830335791 600836421 /nfs/dbraw/zinc/83/64/21/600836421.db2.gz XTVZNLSFNNEUHW-SNVBAGLBSA-N -1 1 332.212 3.592 20 0 EHADMM Cc1cc(CN2CCC[C@H]2CC(=O)c2cccs2)oc1C(=O)[O-] ZINC000832882263 601200408 /nfs/dbraw/zinc/20/04/08/601200408.db2.gz BAZHYRLHXBBEIM-LBPRGKRZSA-N -1 1 333.409 3.585 20 0 EHADMM Cc1cc(CN2CCC[C@@H]2CC(=O)c2cccs2)oc1C(=O)[O-] ZINC000832882262 601200565 /nfs/dbraw/zinc/20/05/65/601200565.db2.gz BAZHYRLHXBBEIM-GFCCVEGCSA-N -1 1 333.409 3.585 20 0 EHADMM CCN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1ccc(OC)cc1OC ZINC000829718995 601622897 /nfs/dbraw/zinc/62/28/97/601622897.db2.gz VADSVHXUZFQWAF-UHFFFAOYSA-N -1 1 347.386 3.563 20 0 EHADMM Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000574292328 601634682 /nfs/dbraw/zinc/63/46/82/601634682.db2.gz LKQIRKQXWUSICT-OAHLLOKOSA-N -1 1 334.416 3.798 20 0 EHADMM C[C@@H]1CN(Cn2c(-c3ccccc3)csc2=S)C[C@@H]1C(=O)[O-] ZINC000828464457 601817482 /nfs/dbraw/zinc/81/74/82/601817482.db2.gz UZIPUAHZUCNDAR-YPMHNXCESA-N -1 1 334.466 3.556 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000662217090 601839255 /nfs/dbraw/zinc/83/92/55/601839255.db2.gz DKZLESLRXOFRFS-UHFFFAOYSA-N -1 1 332.375 3.558 20 0 EHADMM C[C@]1(C(=O)[O-])CCN(Cn2c(-c3ccccc3)csc2=S)C1 ZINC000828029101 601891111 /nfs/dbraw/zinc/89/11/11/601891111.db2.gz PYZQTERVXOYWSI-INIZCTEOSA-N -1 1 334.466 3.700 20 0 EHADMM O=C([O-])N1CCC(N(Cc2cc(-c3cccs3)on2)C2CC2)CC1 ZINC000740500184 601933711 /nfs/dbraw/zinc/93/37/11/601933711.db2.gz LUYDHZHHTQUVHB-UHFFFAOYSA-N -1 1 347.440 3.510 20 0 EHADMM Cc1noc(C)c1CN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833020985 601973057 /nfs/dbraw/zinc/97/30/57/601973057.db2.gz GCLQMNFJWRGEFZ-CYBMUJFWSA-N -1 1 329.183 3.514 20 0 EHADMM Cc1ncsc1CN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833010658 601975120 /nfs/dbraw/zinc/97/51/20/601975120.db2.gz SZKYFHNCORMRDC-GFCCVEGCSA-N -1 1 331.224 3.674 20 0 EHADMM O=C([O-])N1CCC(CCN[C@H](c2nccs2)c2ccccc2)CC1 ZINC000740499337 602054226 /nfs/dbraw/zinc/05/42/26/602054226.db2.gz GADBJKYMTDAAIM-INIZCTEOSA-N -1 1 345.468 3.602 20 0 EHADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000828672146 602221057 /nfs/dbraw/zinc/22/10/57/602221057.db2.gz NQFPAVIEJMAZCG-SFHVURJKSA-N -1 1 331.416 3.593 20 0 EHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739066071 603066799 /nfs/dbraw/zinc/06/67/99/603066799.db2.gz WPJMPXAZWKKUFD-CABCVRRESA-N -1 1 343.427 3.724 20 0 EHADMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1OC(F)F ZINC000825501888 603534944 /nfs/dbraw/zinc/53/49/44/603534944.db2.gz FUAJTMIJWCOXMK-SNVBAGLBSA-N -1 1 337.326 3.624 20 0 EHADMM CCC(CC)(CNCc1csc(-c2cccs2)n1)NC(=O)[O-] ZINC000826561132 603600478 /nfs/dbraw/zinc/60/04/78/603600478.db2.gz LNIRFWZAAPVGBJ-UHFFFAOYSA-N -1 1 339.486 3.788 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000825272599 604187614 /nfs/dbraw/zinc/18/76/14/604187614.db2.gz MMTFPXFXWJITOF-UKRRQHHQSA-N -1 1 345.468 3.678 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)co2)cc1 ZINC000830155015 604199416 /nfs/dbraw/zinc/19/94/16/604199416.db2.gz LUZOFQGYLYVQMV-GOEBONIOSA-N -1 1 343.427 3.518 20 0 EHADMM CCc1noc(C)c1[C@@H](C)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827662960 605181398 /nfs/dbraw/zinc/18/13/98/605181398.db2.gz JBQFIEUVDHXWAC-VXGBXAGGSA-N -1 1 331.416 3.725 20 0 EHADMM CCc1noc(C)c1[C@@H](C)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827662958 605181546 /nfs/dbraw/zinc/18/15/46/605181546.db2.gz JBQFIEUVDHXWAC-NWDGAFQWSA-N -1 1 331.416 3.725 20 0 EHADMM O=C([O-])Nc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000834255829 605541082 /nfs/dbraw/zinc/54/10/82/605541082.db2.gz KFYBVYSCZZQHKU-UHFFFAOYSA-N -1 1 346.293 3.843 20 0 EHADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000833813172 605601525 /nfs/dbraw/zinc/60/15/25/605601525.db2.gz NZTOQRDUDCBYSH-WDEREUQCSA-N -1 1 348.415 3.604 20 0 EHADMM CN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H](CCO)c1ccccc1 ZINC000833694860 605836863 /nfs/dbraw/zinc/83/68/63/605836863.db2.gz SZIUBLVDMCVPRF-KRWDZBQOSA-N -1 1 333.815 3.594 20 0 EHADMM CCCCOc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821077492 606410445 /nfs/dbraw/zinc/41/04/45/606410445.db2.gz HZRXMOBENNHAAI-UHFFFAOYSA-N -1 1 329.429 3.719 20 0 EHADMM CC(C)Oc1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000820145574 606421123 /nfs/dbraw/zinc/42/11/23/606421123.db2.gz AWRPJMZBDYWPGU-UHFFFAOYSA-N -1 1 349.847 3.981 20 0 EHADMM CC(C)CCOc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820076519 606425033 /nfs/dbraw/zinc/42/50/33/606425033.db2.gz KLIBCBYWWBZSLG-UHFFFAOYSA-N -1 1 343.456 3.965 20 0 EHADMM Cc1cc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1F ZINC000822191313 606431064 /nfs/dbraw/zinc/43/10/64/606431064.db2.gz ICAJGWRBEKYTFB-VIFPVBQESA-N -1 1 332.770 3.536 20 0 EHADMM Cc1cc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1F ZINC000822191313 606431066 /nfs/dbraw/zinc/43/10/66/606431066.db2.gz ICAJGWRBEKYTFB-VIFPVBQESA-N -1 1 332.770 3.536 20 0 EHADMM Cc1cc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c(C)s1 ZINC000822190799 606450897 /nfs/dbraw/zinc/45/08/97/606450897.db2.gz AYWPBIPQIUFCBG-QMMMGPOBSA-N -1 1 334.836 3.767 20 0 EHADMM Cc1cc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c(C)s1 ZINC000822190799 606450898 /nfs/dbraw/zinc/45/08/98/606450898.db2.gz AYWPBIPQIUFCBG-QMMMGPOBSA-N -1 1 334.836 3.767 20 0 EHADMM CC(C)(C)OCc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819950681 606472966 /nfs/dbraw/zinc/47/29/66/606472966.db2.gz LAODRJDSZKJWRK-UHFFFAOYSA-N -1 1 343.456 3.855 20 0 EHADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1CC1CCCCC1 ZINC000823482887 606540386 /nfs/dbraw/zinc/54/03/86/606540386.db2.gz BLAGAKPPCPJNRU-ZDUSSCGKSA-N -1 1 345.472 3.503 20 0 EHADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1CC1CCCCC1 ZINC000823482887 606540389 /nfs/dbraw/zinc/54/03/89/606540389.db2.gz BLAGAKPPCPJNRU-ZDUSSCGKSA-N -1 1 345.472 3.503 20 0 EHADMM Cc1ccc([C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)cc1F ZINC000822230467 606734072 /nfs/dbraw/zinc/73/40/72/606734072.db2.gz HMMGLOHMZQHSBZ-ZETCQYMHSA-N -1 1 338.799 3.597 20 0 EHADMM Cc1ccc([C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)cc1F ZINC000822230467 606734073 /nfs/dbraw/zinc/73/40/73/606734073.db2.gz HMMGLOHMZQHSBZ-ZETCQYMHSA-N -1 1 338.799 3.597 20 0 EHADMM COc1ccc(C)cc1CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821782653 606946812 /nfs/dbraw/zinc/94/68/12/606946812.db2.gz JFXILXYKIGRXKQ-UHFFFAOYSA-N -1 1 347.831 3.524 20 0 EHADMM COc1ccc(C)cc1CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821782653 606946813 /nfs/dbraw/zinc/94/68/13/606946813.db2.gz JFXILXYKIGRXKQ-UHFFFAOYSA-N -1 1 347.831 3.524 20 0 EHADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823484355 607163740 /nfs/dbraw/zinc/16/37/40/607163740.db2.gz WRHXTOFZKBYYNH-CYBMUJFWSA-N -1 1 345.472 3.503 20 0 EHADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823484355 607163741 /nfs/dbraw/zinc/16/37/41/607163741.db2.gz WRHXTOFZKBYYNH-CYBMUJFWSA-N -1 1 345.472 3.503 20 0 EHADMM Fc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c(OC2CCCC2)c1 ZINC000826375361 608027504 /nfs/dbraw/zinc/02/75/04/608027504.db2.gz KKWODNNXGOHZIX-UHFFFAOYSA-N -1 1 343.362 3.532 20 0 EHADMM Fc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c(OC2CCCC2)c1 ZINC000826375361 608027505 /nfs/dbraw/zinc/02/75/05/608027505.db2.gz KKWODNNXGOHZIX-UHFFFAOYSA-N -1 1 343.362 3.532 20 0 EHADMM Cc1ccc2c(c1)[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)C2 ZINC000826294400 609570692 /nfs/dbraw/zinc/57/06/92/609570692.db2.gz QLDLGBLHJAKGGK-PELKAZGASA-N -1 1 346.847 3.630 20 0 EHADMM Cc1ccc2c(c1)[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)C2 ZINC000826294400 609570694 /nfs/dbraw/zinc/57/06/94/609570694.db2.gz QLDLGBLHJAKGGK-PELKAZGASA-N -1 1 346.847 3.630 20 0 EHADMM O=C([O-])CC1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000321867022 970818717 /nfs/dbraw/zinc/81/87/17/970818717.db2.gz NPRRXNHSSGONIB-UHFFFAOYSA-N -1 1 334.803 3.682 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000824899746 946981351 /nfs/dbraw/zinc/98/13/51/946981351.db2.gz NSIKEJLEWSFJJN-NXEZZACHSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899746 946981364 /nfs/dbraw/zinc/98/13/64/946981364.db2.gz NSIKEJLEWSFJJN-NXEZZACHSA-N -1 1 333.461 3.600 20 0 EHADMM O=C([O-])c1ccc2c(c1)CN(Cc1cc(F)cc3cccnc31)CC2 ZINC000327260638 971380502 /nfs/dbraw/zinc/38/05/02/971380502.db2.gz VRISZWQCUAGXMR-UHFFFAOYSA-N -1 1 336.366 3.630 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(Br)c2)C1 ZINC000062877107 948964620 /nfs/dbraw/zinc/96/46/20/948964620.db2.gz NHETTYIYALNLTC-OAHLLOKOSA-N -1 1 344.224 3.665 20 0 EHADMM CCCCc1nc2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2[nH]1 ZINC000353961125 971529681 /nfs/dbraw/zinc/52/96/81/971529681.db2.gz MRSPQWIRQMAPPA-QWHCGFSZSA-N -1 1 343.427 3.735 20 0 EHADMM O=C([O-])c1ccccc1OCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000364249730 971541053 /nfs/dbraw/zinc/54/10/53/971541053.db2.gz LQEWXTOKTIHBQF-GOSISDBHSA-N -1 1 343.448 3.554 20 0 EHADMM O=C([O-])c1ccccc1CNCc1cccc(Br)c1F ZINC001595255405 949596553 /nfs/dbraw/zinc/59/65/53/949596553.db2.gz RIIRBEBNJGDKON-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000263122723 950277140 /nfs/dbraw/zinc/27/71/40/950277140.db2.gz CKJHCCKTVYLKAM-YPMHNXCESA-N -1 1 334.416 3.634 20 0 EHADMM O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000584356551 953732941 /nfs/dbraw/zinc/73/29/41/953732941.db2.gz RZYIBADKDUBMSP-QGZVFWFLSA-N -1 1 349.789 3.542 20 0 EHADMM O=C([O-])[C@H]1c2ccccc2CCN1CCOc1ccc(F)cc1Cl ZINC000584356551 953732942 /nfs/dbraw/zinc/73/29/42/953732942.db2.gz RZYIBADKDUBMSP-QGZVFWFLSA-N -1 1 349.789 3.542 20 0 EHADMM O=C([O-])CCN1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC000626008698 953797526 /nfs/dbraw/zinc/79/75/26/953797526.db2.gz HBDQWMPHLNZNSE-GFCCVEGCSA-N -1 1 332.625 3.714 20 0 EHADMM Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000652496318 954091240 /nfs/dbraw/zinc/09/12/40/954091240.db2.gz RVJSCDRHKQYMCL-CABCVRRESA-N -1 1 343.427 3.683 20 0 EHADMM O=C([O-])[C@H]1CN(CCSc2ccc(F)cc2F)Cc2ccccc21 ZINC000662227630 954398049 /nfs/dbraw/zinc/39/80/49/954398049.db2.gz XCZOCFPDCSEVHC-HNNXBMFYSA-N -1 1 349.402 3.741 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)cc1Br ZINC000126813340 958604196 /nfs/dbraw/zinc/60/41/96/958604196.db2.gz BDJVDONHAGLYDS-LBPRGKRZSA-N -1 1 346.652 3.932 20 0 EHADMM CC(C)(NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccs1 ZINC001588795095 961377349 /nfs/dbraw/zinc/37/73/49/961377349.db2.gz NLRQFXIVYKNDJX-ZDUSSCGKSA-N -1 1 348.468 3.667 20 0 EHADMM O=C([O-])c1ccc(CNCc2c(Cl)cccc2N2CCCC2)cc1 ZINC000262683138 961804164 /nfs/dbraw/zinc/80/41/64/961804164.db2.gz BWVXWHNLZWLDTK-UHFFFAOYSA-N -1 1 344.842 3.928 20 0 EHADMM O=C([O-])c1cccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000263378545 967882976 /nfs/dbraw/zinc/88/29/76/967882976.db2.gz CKLYMHOUIGEHRF-HNNXBMFYSA-N -1 1 331.799 3.692 20 0 EHADMM O=C([O-])c1cccc(CN2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000263378545 967882985 /nfs/dbraw/zinc/88/29/85/967882985.db2.gz CKLYMHOUIGEHRF-HNNXBMFYSA-N -1 1 331.799 3.692 20 0 EHADMM CCN(CC)Cc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)o1 ZINC000396615060 972922841 /nfs/dbraw/zinc/92/28/41/972922841.db2.gz IOVQIQWNVIUDFH-CYBMUJFWSA-N -1 1 344.411 3.562 20 0 EHADMM Cc1cccc(-c2nnc([C@@H](C)N3CCC[C@@H](CCC(=O)[O-])C3)o2)c1 ZINC001605318960 973150949 /nfs/dbraw/zinc/15/09/49/973150949.db2.gz RRUPSYWUPGMGKH-CABCVRRESA-N -1 1 343.427 3.683 20 0 EHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1cnc(CCc2ccccc2)s1 ZINC000414680815 973948325 /nfs/dbraw/zinc/94/83/25/973948325.db2.gz LQXIBKYCJHXVDV-CQSZACIVSA-N -1 1 332.469 3.613 20 0 EHADMM CCCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426833595 974050699 /nfs/dbraw/zinc/05/06/99/974050699.db2.gz LIVKZMDGFMSPQY-GOSISDBHSA-N -1 1 331.387 3.920 20 0 EHADMM CCOc1cccc(F)c1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603875988 974378035 /nfs/dbraw/zinc/37/80/35/974378035.db2.gz QHNUKDYPVCXIPP-YOEHRIQHSA-N -1 1 329.371 3.627 20 0 EHADMM Cc1ccc(C[C@@H]2CCCN(Cc3nc(C(=O)[O-])cs3)C2)cc1 ZINC000563278725 974525275 /nfs/dbraw/zinc/52/52/75/974525275.db2.gz MCXCDOPMSXOXLO-HNNXBMFYSA-N -1 1 330.453 3.604 20 0 EHADMM C[C@]12CCN([C@@H](C(=O)[O-])c3c(F)cccc3Cl)C[C@H]1C2(F)F ZINC000573983353 974774993 /nfs/dbraw/zinc/77/49/93/974774993.db2.gz UWTBAJYFGJAPEO-QKCSRTOESA-N -1 1 333.737 3.582 20 0 EHADMM O=C([O-])CC1(CN2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000575874987 974803100 /nfs/dbraw/zinc/80/31/00/974803100.db2.gz OORCHJHVRXKXNW-CQSZACIVSA-N -1 1 325.861 3.685 20 0 EHADMM COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)c1 ZINC000576710502 974820845 /nfs/dbraw/zinc/82/08/45/974820845.db2.gz LCOWTBOLQDPMCM-INIZCTEOSA-N -1 1 345.395 3.641 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(-c3ccccc3Cl)on1)CC2 ZINC000578898649 974864516 /nfs/dbraw/zinc/86/45/16/974864516.db2.gz CKCBGXXPIWVJPP-CQSZACIVSA-N -1 1 346.814 3.682 20 0 EHADMM CC(C)[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCCO1 ZINC000578910361 974865476 /nfs/dbraw/zinc/86/54/76/974865476.db2.gz NSXFIGRSGYFQQR-UKRRQHHQSA-N -1 1 346.254 3.866 20 0 EHADMM CC[C@@H](OCCN1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000652485910 975552733 /nfs/dbraw/zinc/55/27/33/975552733.db2.gz VBSKIULHCGOGML-HXUWFJFHSA-N -1 1 339.435 3.911 20 0 EHADMM O=C([O-])Cc1cccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000653640105 975606272 /nfs/dbraw/zinc/60/62/72/975606272.db2.gz OJTQVNNEFOTKKV-UHFFFAOYSA-N -1 1 349.390 3.710 20 0 EHADMM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1Cl ZINC001591775839 975920851 /nfs/dbraw/zinc/92/08/51/975920851.db2.gz YEXVLWFPCCMWAI-KRWDZBQOSA-N -1 1 349.814 3.748 20 0 EHADMM CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(O)c2)c(C(=O)[O-])c1 ZINC001591787989 975966069 /nfs/dbraw/zinc/96/60/69/975966069.db2.gz JEGLAJGUZWLBJR-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM CC(C)Oc1cccc(CN(C)Cc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001591792180 975995847 /nfs/dbraw/zinc/99/58/47/975995847.db2.gz KKXKCSOAKGFGSM-MDZDMXLPSA-N -1 1 329.396 3.797 20 0 EHADMM CC(C)c1ccc(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)c(C(=O)[O-])c1 ZINC001591962779 976550449 /nfs/dbraw/zinc/55/04/49/976550449.db2.gz QYJGQPWDFNGTMD-APPDUMDISA-N -1 1 341.411 3.536 20 0 EHADMM C[C@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc(F)cc1 ZINC001592278067 977559101 /nfs/dbraw/zinc/55/91/01/977559101.db2.gz NKJIZCSBQOGSNA-SNVBAGLBSA-N -1 1 341.342 3.533 20 0 EHADMM C[C@H](CCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC001592469954 978216365 /nfs/dbraw/zinc/21/63/65/978216365.db2.gz CQTCRNDAJYBSGA-GFCCVEGCSA-N -1 1 337.379 3.784 20 0 EHADMM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cc2ccc(F)cc2s1 ZINC000021207071 1014542585 /nfs/dbraw/zinc/54/25/85/1014542585.db2.gz NJVIYXRISZGRQS-UHFFFAOYSA-N -1 1 348.786 3.769 20 0 EHADMM COc1ccccc1OCCN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000846237727 979417144 /nfs/dbraw/zinc/41/71/44/979417144.db2.gz HZBGRCNAOXJQFB-UHFFFAOYSA-N -1 1 349.814 3.558 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)c3ccc(C(=O)[O-])s3)cc2[nH]1 ZINC000899894581 980233593 /nfs/dbraw/zinc/23/35/93/980233593.db2.gz NPDPFFPZFGCNNS-UHFFFAOYSA-N -1 1 343.408 3.872 20 0 EHADMM CC[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc2c(c1)CCO2 ZINC001595300729 980435406 /nfs/dbraw/zinc/43/54/06/980435406.db2.gz SEOYASBKEUWBMR-OAHLLOKOSA-N -1 1 346.814 3.609 20 0 EHADMM CC[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc2c(c1)CCO2 ZINC001595300726 980435569 /nfs/dbraw/zinc/43/55/69/980435569.db2.gz SEOYASBKEUWBMR-HNNXBMFYSA-N -1 1 346.814 3.609 20 0 EHADMM CC[C@](NCc1cccc(Cl)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300723 980435653 /nfs/dbraw/zinc/43/56/53/980435653.db2.gz SDZFCOFZUWAMCM-MRXNPFEDSA-N -1 1 339.222 3.868 20 0 EHADMM Cc1cc(CNCc2ccc(C)c(Br)c2)oc1C(=O)[O-] ZINC000901942493 980642926 /nfs/dbraw/zinc/64/29/26/980642926.db2.gz RTEUWWSPTBOMCO-UHFFFAOYSA-N -1 1 338.201 3.647 20 0 EHADMM CCc1oc(CNCc2ccc3[nH]c(C)c(C)c3c2)cc1C(=O)[O-] ZINC000902184937 980773547 /nfs/dbraw/zinc/77/35/47/980773547.db2.gz NHEBMNBHVUNQRH-UHFFFAOYSA-N -1 1 326.396 3.928 20 0 EHADMM CC1(C)CCCN(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000902259453 980804341 /nfs/dbraw/zinc/80/43/41/980804341.db2.gz RAYGULJNWUHQTM-UHFFFAOYSA-N -1 1 326.234 3.769 20 0 EHADMM CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C(=O)[O-])c(C)o1 ZINC000902267357 980809293 /nfs/dbraw/zinc/80/92/93/980809293.db2.gz HLPIFCHDGXIXHV-HWPZZCPQSA-N -1 1 337.803 3.805 20 0 EHADMM CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccc(F)cc2[O-])c(C)n1 ZINC000654966038 1014689632 /nfs/dbraw/zinc/68/96/32/1014689632.db2.gz CYZIFGZEEZYSOB-JTQLQIEISA-N -1 1 331.391 3.633 20 0 EHADMM CCc1oc(CN[C@H](C)c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000902483958 980907048 /nfs/dbraw/zinc/90/70/48/980907048.db2.gz KEEWCGJJVXDEBA-GFCCVEGCSA-N -1 1 329.396 3.716 20 0 EHADMM COc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1Cl ZINC000683172644 1014735845 /nfs/dbraw/zinc/73/58/45/1014735845.db2.gz FNIKZOPLNJTYJP-HNNXBMFYSA-N -1 1 341.741 3.542 20 0 EHADMM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001625792308 1014761325 /nfs/dbraw/zinc/76/13/25/1014761325.db2.gz DGOWXMNLYSATOY-HIFRSBDPSA-N -1 1 345.361 3.735 20 0 EHADMM CCCCC[C@H](NC(=O)c1cc(Cl)c2ccccc2c1O)C(=O)[O-] ZINC001595676900 982149035 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C[C@@H]1CN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC(C)(C)C1 ZINC001594547829 986232112 /nfs/dbraw/zinc/23/21/12/986232112.db2.gz PENOEMOPVQSKIN-ZDUSSCGKSA-N -1 1 328.412 3.908 20 0 EHADMM Cc1ccc(-c2nc(CN3C[C@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1 ZINC000263521901 1125495901 /nfs/dbraw/zinc/49/59/01/1125495901.db2.gz RIMQPPSANQHSJR-DZGCQCFKSA-N -1 1 330.453 3.804 20 0 EHADMM CCOc1ccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c(C)c1 ZINC001597101740 986720210 /nfs/dbraw/zinc/72/02/10/986720210.db2.gz BYTLIBJQEMBGOS-UHFFFAOYSA-N -1 1 343.398 3.789 20 0 EHADMM CCOc1ccc2c(c1)CN(Cc1cc(C(=O)[O-])sc1C)CC2 ZINC001597142725 986891033 /nfs/dbraw/zinc/89/10/33/986891033.db2.gz HYMUSCODNZWZCU-UHFFFAOYSA-N -1 1 331.437 3.712 20 0 EHADMM CSc1ccc([C@@H](C)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1 ZINC001599821395 988520738 /nfs/dbraw/zinc/52/07/38/988520738.db2.gz ZKMIXIHNCLUKJU-LLVKDONJSA-N -1 1 341.436 3.834 20 0 EHADMM CCc1noc(C)c1CN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597742610 989109173 /nfs/dbraw/zinc/10/91/73/989109173.db2.gz UBSZONFPPIBANI-AWEZNQCLSA-N -1 1 343.210 3.768 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)s1 ZINC001590481806 990077463 /nfs/dbraw/zinc/07/74/63/990077463.db2.gz VLNACYMPKPXXOX-UHFFFAOYSA-N -1 1 343.408 3.872 20 0 EHADMM COc1ccccc1C1(NCc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001599703489 991257372 /nfs/dbraw/zinc/25/73/72/991257372.db2.gz HLDSGJKSUKQMTP-UHFFFAOYSA-N -1 1 348.402 3.721 20 0 EHADMM CN(CCOc1cccc(Cl)c1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001598499198 992407748 /nfs/dbraw/zinc/40/77/48/992407748.db2.gz DJCWTKQJOKGFHW-FPLPWBNLSA-N -1 1 335.787 3.542 20 0 EHADMM CC(C)Cc1ccc(CN2CCOc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001591484199 992608154 /nfs/dbraw/zinc/60/81/54/992608154.db2.gz VOIPDIYJOXHKCN-UHFFFAOYSA-N -1 1 339.435 3.978 20 0 EHADMM O=C(Nc1ccccc1N1CCc2ccccc21)c1cncc([O-])c1 ZINC000339834296 1015726775 /nfs/dbraw/zinc/72/67/75/1015726775.db2.gz MMZVGFHQKXLTQO-UHFFFAOYSA-N -1 1 331.375 3.734 20 0 EHADMM 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3.594 20 0 EHADMM COC(=O)[C@@H](CC1CCCCC1)NCc1cccc([O-])c1Cl ZINC000513236178 1019462797 /nfs/dbraw/zinc/46/27/97/1019462797.db2.gz IYHGRXNJJMEACU-CQSZACIVSA-N -1 1 325.836 3.647 20 0 EHADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H](CCO)c1ccccc1 ZINC000092764324 1032841763 /nfs/dbraw/zinc/84/17/63/1032841763.db2.gz HDEFKLVBFJJCKA-IBGZPJMESA-N -1 1 335.403 3.741 20 0 EHADMM CCOc1ccc(F)c([N-]C(=O)c2noc3c2C[C@@H](C)CC3)c1F ZINC000433851717 1019707112 /nfs/dbraw/zinc/70/71/12/1019707112.db2.gz DAEOCHYNKPXOCC-VIFPVBQESA-N -1 1 336.338 3.729 20 0 EHADMM COc1cnc(C(=O)[N-]c2cc(Cl)ccc2SC)c(F)c1 ZINC001125475093 1020038372 /nfs/dbraw/zinc/03/83/72/1020038372.db2.gz MTLSKEBDPAPQNU-UHFFFAOYSA-N -1 1 326.780 3.857 20 0 EHADMM O=C([O-])C[C@H](NCc1cccc(F)c1F)c1cccc(Cl)c1 ZINC000580928387 1020250885 /nfs/dbraw/zinc/25/08/85/1020250885.db2.gz ANRKJZKWMHCNKX-AWEZNQCLSA-N -1 1 325.742 3.924 20 0 EHADMM CCc1nn(C)cc1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167440492 1020314488 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O=C(c1cc(F)ccc1[O-])N1CCCN(c2ccccc2Cl)CC1 ZINC000436729998 1026119976 /nfs/dbraw/zinc/11/99/76/1026119976.db2.gz DDJNBTZSVUHGCS-UHFFFAOYSA-N -1 1 348.805 3.537 20 0 EHADMM O=C(NCc1csc(-c2ccccc2)n1)c1cc(F)ccc1[O-] ZINC000436758574 1026127878 /nfs/dbraw/zinc/12/78/78/1026127878.db2.gz ZREYRNCOMODZJZ-UHFFFAOYSA-N -1 1 328.368 3.585 20 0 EHADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1nc2ccccc2[nH]1 ZINC000436762208 1026130775 /nfs/dbraw/zinc/13/07/75/1026130775.db2.gz CXROWGWTGNDLJF-SECBINFHSA-N -1 1 349.312 3.778 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2cc(F)c(F)cc21 ZINC000436750324 1026139617 /nfs/dbraw/zinc/13/96/17/1026139617.db2.gz FZMVPOXSFMFBIS-UHFFFAOYSA-N -1 1 343.251 3.892 20 0 EHADMM CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc(Cl)cc1[O-] ZINC000436754963 1026144117 /nfs/dbraw/zinc/14/41/17/1026144117.db2.gz JQFGMRRPKJGHNF-UHFFFAOYSA-N -1 1 349.814 3.725 20 0 EHADMM COCC1(c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)CC1 ZINC000897045282 1026264089 /nfs/dbraw/zinc/26/40/89/1026264089.db2.gz 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CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926253 1036626616 /nfs/dbraw/zinc/62/66/16/1036626616.db2.gz JLPPPDALKGFKLI-KRWDZBQOSA-N -1 1 332.350 3.893 20 0 EHADMM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001212161930 1036718564 /nfs/dbraw/zinc/71/85/64/1036718564.db2.gz JIRIXANEZHUQAB-NEPJUHHUSA-N -1 1 349.418 3.989 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](C)c2ccsc2)cc(Cl)c1[O-] ZINC000669918247 1036798863 /nfs/dbraw/zinc/79/88/63/1036798863.db2.gz CCGOXRGUFXNNCQ-VIFPVBQESA-N -1 1 325.817 3.997 20 0 EHADMM CC(C)[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000103073546 1036833808 /nfs/dbraw/zinc/83/38/08/1036833808.db2.gz AMHVYGCNSUQPNN-LLVKDONJSA-N -1 1 326.322 3.592 20 0 EHADMM C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000263439226 1036917001 /nfs/dbraw/zinc/91/70/01/1036917001.db2.gz VTWZOMYQHZQLRF-UHFFFAOYSA-N -1 1 329.343 3.950 20 0 EHADMM CN(CC(=O)[O-])Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000263439226 1036917011 /nfs/dbraw/zinc/91/70/11/1036917011.db2.gz VTWZOMYQHZQLRF-UHFFFAOYSA-N -1 1 329.343 3.950 20 0 EHADMM CCOc1cc(C(=O)NC[C@H](C)Oc2ccccc2)cc(Cl)c1[O-] ZINC000186812401 1037026753 /nfs/dbraw/zinc/02/67/53/1037026753.db2.gz BDDIHNXYULSFSH-LBPRGKRZSA-N -1 1 349.814 3.642 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2ccc(F)c(F)c2F)s1 ZINC000176802446 1037198110 /nfs/dbraw/zinc/19/81/10/1037198110.db2.gz NBOPUDMHLWOUKM-UHFFFAOYSA-N -1 1 329.347 3.940 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(F)(F)F)c1Cl ZINC000462667468 1037262345 /nfs/dbraw/zinc/26/23/45/1037262345.db2.gz RHBQFJSNQJCQBC-UHFFFAOYSA-N -1 1 336.162 3.533 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000669933773 1037368960 /nfs/dbraw/zinc/36/89/60/1037368960.db2.gz VKVGFUDMWBKXPI-ZDUSSCGKSA-N -1 1 331.309 3.726 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3cccc(C(C)C)c3)cc21 ZINC000460833055 1037663041 /nfs/dbraw/zinc/66/30/41/1037663041.db2.gz COOCYDNJKKWOIG-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(CC(C)C)CC1 ZINC000760941146 1037865382 /nfs/dbraw/zinc/86/53/82/1037865382.db2.gz OAXDNNAECAWJOU-UHFFFAOYSA-N -1 1 333.476 3.686 20 0 EHADMM COc1ccsc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182907226 1037923835 /nfs/dbraw/zinc/92/38/35/1037923835.db2.gz YSTOTXONKZLKKX-UHFFFAOYSA-N -1 1 342.214 3.786 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000188031449 1038010945 /nfs/dbraw/zinc/01/09/45/1038010945.db2.gz ALRSWBOVWKEUKP-UHFFFAOYSA-N -1 1 330.453 3.650 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(C2CCOCC2)CC1 ZINC000124302973 1038168607 /nfs/dbraw/zinc/16/86/07/1038168607.db2.gz RITGHISDHDWGBD-UHFFFAOYSA-N -1 1 339.435 3.824 20 0 EHADMM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000538742286 1038505639 /nfs/dbraw/zinc/50/56/39/1038505639.db2.gz DBSPBOAUMUCDQE-OAHLLOKOSA-N -1 1 335.403 3.569 20 0 EHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccc(Br)cc2)n1 ZINC000488286903 1039046010 /nfs/dbraw/zinc/04/60/10/1039046010.db2.gz BDPDEYOHGGSEQM-QMMMGPOBSA-N -1 1 341.230 3.812 20 0 EHADMM CC(C)Cn1ncc(C(=O)Nc2cc(F)cc(F)c2[O-])c1C(F)F ZINC000910981779 1039180000 /nfs/dbraw/zinc/18/00/00/1039180000.db2.gz FSOCWTQEFQLPMX-UHFFFAOYSA-N -1 1 345.296 3.713 20 0 EHADMM CCc1nc(CNCc2ccccc2C(F)(F)F)ccc1C(=O)[O-] ZINC000426636516 1039214195 /nfs/dbraw/zinc/21/41/95/1039214195.db2.gz GYNGFYANXCAZFL-UHFFFAOYSA-N -1 1 338.329 3.651 20 0 EHADMM O=C(N[C@@H](C1CCC1)C1CCCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000911550829 1039408963 /nfs/dbraw/zinc/40/89/63/1039408963.db2.gz HALZBXWDDTYTEQ-MRXNPFEDSA-N -1 1 329.444 3.538 20 0 EHADMM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2OC(F)F)cc1 ZINC000426691388 1039426835 /nfs/dbraw/zinc/42/68/35/1039426835.db2.gz HKHADAAOEMCGDM-UHFFFAOYSA-N -1 1 341.741 3.929 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2)c(F)c1 ZINC000445465586 1039642845 /nfs/dbraw/zinc/64/28/45/1039642845.db2.gz ZPQSTKCAHGMXOV-UHFFFAOYSA-N -1 1 340.289 3.778 20 0 EHADMM Cc1cccc(CO[N-]C(=O)[C@@H](C)c2ccccc2C(F)(F)F)n1 ZINC000898936101 1039739990 /nfs/dbraw/zinc/73/99/90/1039739990.db2.gz RMPZVZNMIRIICT-LBPRGKRZSA-N -1 1 338.329 3.760 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1C[C@H]2CCCC[C@@H]2C1 ZINC000554877928 1039878068 /nfs/dbraw/zinc/87/80/68/1039878068.db2.gz RSVSRXHXUONMOO-VXGBXAGGSA-N -1 1 330.815 3.856 20 0 EHADMM O=C(NC1(c2ccccc2)CCC1)c1ccc(Br)c([O-])c1 ZINC000486615359 1040284783 /nfs/dbraw/zinc/28/47/83/1040284783.db2.gz NWLVRLJMXIVWLM-UHFFFAOYSA-N -1 1 346.224 3.964 20 0 EHADMM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(-c2ncc(Cl)cn2)c1=O ZINC000899351440 1040373663 /nfs/dbraw/zinc/37/36/63/1040373663.db2.gz KIQFXGJXMAJVNS-CYBMUJFWSA-N -1 1 349.221 3.807 20 0 EHADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ncc2ccccc2c1[O-] ZINC000669052955 1040484408 /nfs/dbraw/zinc/48/44/08/1040484408.db2.gz QHGCUQRXTCJJKZ-KRWDZBQOSA-N -1 1 335.407 3.949 20 0 EHADMM Cc1nc([C@@H](NCc2cccc([O-])c2Cl)c2ccccc2F)no1 ZINC000339260612 1040516127 /nfs/dbraw/zinc/51/61/27/1040516127.db2.gz CNUANAXVASUTSN-INIZCTEOSA-N -1 1 347.777 3.755 20 0 EHADMM CC(C)[C@H](C(=O)Nc1cccc([O-])c1Br)c1cccnc1 ZINC000908707356 1040601330 /nfs/dbraw/zinc/60/13/30/1040601330.db2.gz DSLCGGIQCJMTTR-AWEZNQCLSA-N -1 1 349.228 3.928 20 0 EHADMM O=C(CCCC1CCOCC1)Nc1cccc([O-])c1Br ZINC000908706899 1040601382 /nfs/dbraw/zinc/60/13/82/1040601382.db2.gz AGRKBJIIPGDOLB-UHFFFAOYSA-N -1 1 342.233 3.690 20 0 EHADMM CCO[C@H](CC(=O)Nc1cccc([O-])c1Br)C(C)C ZINC000908709062 1040605754 /nfs/dbraw/zinc/60/57/54/1040605754.db2.gz HILITPNHOOVSOE-GFCCVEGCSA-N -1 1 330.222 3.544 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)c1cc2c([nH]1)CCCC2 ZINC000908708649 1040605776 /nfs/dbraw/zinc/60/57/76/1040605776.db2.gz ZCQXSZRHSBORCI-UHFFFAOYSA-N -1 1 335.201 3.614 20 0 EHADMM CO[C@H]1CCOc2c(NC(=O)c3cc(SC)ccc3[O-])cccc21 ZINC000614217433 1040689217 /nfs/dbraw/zinc/68/92/17/1040689217.db2.gz QFZSZWPYNOGIMZ-INIZCTEOSA-N -1 1 345.420 3.836 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1F ZINC000512803510 1040968578 /nfs/dbraw/zinc/96/85/78/1040968578.db2.gz XFMGETNPZUPTAM-UHFFFAOYSA-N -1 1 337.416 3.860 20 0 EHADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000512840617 1041087467 /nfs/dbraw/zinc/08/74/67/1041087467.db2.gz XDYDTVVPJPTKFC-CYBMUJFWSA-N -1 1 347.436 3.600 20 0 EHADMM CC[C@H](C)n1ncc(C(=O)Nc2cc([O-])c(F)cc2F)c1C1CC1 ZINC000909984113 1041109374 /nfs/dbraw/zinc/10/93/74/1041109374.db2.gz IXXSXJGEBKXCBB-VIFPVBQESA-N -1 1 335.354 3.968 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1-c1ncco1 ZINC000481580472 1041109754 /nfs/dbraw/zinc/10/97/54/1041109754.db2.gz KJXYDCUNYZEUAA-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CC[C@@H](C)n1ncc(C(=O)Nc2cc([O-])c(F)cc2F)c1C1CC1 ZINC000909984112 1041109719 /nfs/dbraw/zinc/10/97/19/1041109719.db2.gz IXXSXJGEBKXCBB-SECBINFHSA-N -1 1 335.354 3.968 20 0 EHADMM CCCOc1ccc(Nc2nc[n-]c(=O)c2Br)cc1F ZINC001211668420 1042128341 /nfs/dbraw/zinc/12/83/41/1042128341.db2.gz WMTNLINLENGZRJ-UHFFFAOYSA-N -1 1 342.168 3.616 20 0 EHADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)oc1C ZINC000618475296 1042439689 /nfs/dbraw/zinc/43/96/89/1042439689.db2.gz USUXLYSLELCERT-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM CC[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000652396209 1042445904 /nfs/dbraw/zinc/44/59/04/1042445904.db2.gz DLEJILOUFCLHRL-IINYFYTJSA-N -1 1 344.224 3.836 20 0 EHADMM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000049239542 1042452203 /nfs/dbraw/zinc/45/22/03/1042452203.db2.gz CMZRWHVSQPVTOO-RNFRBKRXSA-N -1 1 328.648 3.581 20 0 EHADMM O=S(=O)([N-]C1(C(F)F)CCCC1)c1ccc(C(F)(F)F)s1 ZINC000643210175 1042466768 /nfs/dbraw/zinc/46/67/68/1042466768.db2.gz ULLSHWCDUAXJRV-UHFFFAOYSA-N -1 1 349.346 3.623 20 0 EHADMM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000652620649 1042586674 /nfs/dbraw/zinc/58/66/74/1042586674.db2.gz NUEBFRYBWGZHEC-SFHVURJKSA-N -1 1 335.325 3.613 20 0 EHADMM O=C(Nc1ccc(Cl)cc1OC(F)F)c1ccc(O)cc1[O-] ZINC000186019923 1042647696 /nfs/dbraw/zinc/64/76/96/1042647696.db2.gz DZLXYXURFVSYDQ-UHFFFAOYSA-N -1 1 329.686 3.605 20 0 EHADMM CCN(Cc1ccccc1Br)C(=O)c1ncc(C)cc1[O-] ZINC000343912231 1042808689 /nfs/dbraw/zinc/80/86/89/1042808689.db2.gz WAZOVAISBQYHMR-UHFFFAOYSA-N -1 1 349.228 3.520 20 0 EHADMM C[C@H]1C[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC(C)(C)C1 ZINC000344027247 1043122566 /nfs/dbraw/zinc/12/25/66/1043122566.db2.gz KSNRHAMQRDXUHW-GFCCVEGCSA-N -1 1 325.412 3.950 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc1 ZINC000318359740 1043329153 /nfs/dbraw/zinc/32/91/53/1043329153.db2.gz GEUGXBUFSDTOIW-UHFFFAOYSA-N -1 1 340.832 3.633 20 0 EHADMM [O-]c1ccc(-c2nc(C3(c4ccccc4)CCOCC3)no2)c(F)c1 ZINC000327695554 1043601208 /nfs/dbraw/zinc/60/12/08/1043601208.db2.gz UYGJWTZWUQAIDM-UHFFFAOYSA-N -1 1 340.354 3.678 20 0 EHADMM CCOc1cc(C(=O)NCc2nc3ccccc3o2)cc(Cl)c1[O-] ZINC000647756796 1043637469 /nfs/dbraw/zinc/63/74/69/1043637469.db2.gz LGOZYCDYJGYTNI-UHFFFAOYSA-N -1 1 346.770 3.516 20 0 EHADMM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([O-])cc1F ZINC000187091364 1043792139 /nfs/dbraw/zinc/79/21/39/1043792139.db2.gz JOAWIERENFUXLY-GTNSWQLSSA-N -1 1 349.789 3.787 20 0 EHADMM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000344890521 1044656301 /nfs/dbraw/zinc/65/63/01/1044656301.db2.gz AEYJLGXTUSSWST-RKDXNWHRSA-N -1 1 345.745 3.528 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)Cc2ccccc2F)cc(Cl)c1[O-] ZINC000153643055 1125642369 /nfs/dbraw/zinc/64/23/69/1125642369.db2.gz JOKYYSDUXHWKHY-JTQLQIEISA-N -1 1 337.778 3.554 20 0 EHADMM COc1cc(C(=O)NC(C)(C)c2cccc(F)c2)cc(Cl)c1[O-] ZINC000153857107 1125668803 /nfs/dbraw/zinc/66/88/03/1125668803.db2.gz VYEGMZGYDVVNSN-UHFFFAOYSA-N -1 1 337.778 3.858 20 0 EHADMM COc1cc(C(=O)N2CCc3c2cccc3Cl)cc(Cl)c1[O-] ZINC000153978210 1125680157 /nfs/dbraw/zinc/68/01/57/1125680157.db2.gz CKAUXBUXGIDNFC-UHFFFAOYSA-N -1 1 338.190 3.911 20 0 EHADMM C[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N1CCCCCC1 ZINC000154723254 1125752297 /nfs/dbraw/zinc/75/22/97/1125752297.db2.gz MSMDOBGYXQHRBD-JTQLQIEISA-N -1 1 331.243 3.902 20 0 EHADMM O=C(Nc1ccn(CC(F)(F)F)n1)c1cc2ccccc2cc1[O-] ZINC000154740117 1125753480 /nfs/dbraw/zinc/75/34/80/1125753480.db2.gz REPLRMLPDSHJRO-UHFFFAOYSA-N -1 1 335.285 3.557 20 0 EHADMM CCc1cccc2c(CCNC(=O)c3ccc([O-])cc3F)c[nH]c21 ZINC000154882942 1125763678 /nfs/dbraw/zinc/76/36/78/1125763678.db2.gz BKAIIWKTVLOPLS-UHFFFAOYSA-N -1 1 326.371 3.548 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccnc2OCC(F)F)c([O-])c1 ZINC000622474461 1126704954 /nfs/dbraw/zinc/70/49/54/1126704954.db2.gz SNIUMTXFEJOBGG-UHFFFAOYSA-N -1 1 336.338 3.807 20 0 EHADMM O=C(NC1(c2c(Cl)cccc2Cl)CCC1)c1cncc([O-])c1 ZINC000622561474 1126718837 /nfs/dbraw/zinc/71/88/37/1126718837.db2.gz DNCHWXPQASYGAX-UHFFFAOYSA-N -1 1 337.206 3.903 20 0 EHADMM CCC(C)(C)CC(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000073079324 1126998550 /nfs/dbraw/zinc/99/85/50/1126998550.db2.gz VICUIPOVQLQIQK-UHFFFAOYSA-N -1 1 336.505 3.808 20 0 EHADMM CCO[C@H](C)c1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000350841834 1127107316 /nfs/dbraw/zinc/10/73/16/1127107316.db2.gz XAEKJCBKNDPLFF-MRVPVSSYSA-N -1 1 335.360 3.802 20 0 EHADMM Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000623777253 1127163686 /nfs/dbraw/zinc/16/36/86/1127163686.db2.gz WNWIFSOQJJUJSM-UHFFFAOYSA-N -1 1 339.443 3.758 20 0 EHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000032086102 1127846340 /nfs/dbraw/zinc/84/63/40/1127846340.db2.gz LNMGVBXQJNPYJJ-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cc2ccccc2o1 ZINC000061035911 1128118048 /nfs/dbraw/zinc/11/80/48/1128118048.db2.gz ATHZMPNXTGPWFZ-JTQLQIEISA-N -1 1 337.347 3.751 20 0 EHADMM CC1(C(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)CCCC1 ZINC000068424917 1128266128 /nfs/dbraw/zinc/26/61/28/1128266128.db2.gz PGTOJCRTSMHQCH-UHFFFAOYSA-N -1 1 334.489 3.562 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(O)c2ccccc2c1 ZINC000352486245 1128409611 /nfs/dbraw/zinc/40/96/11/1128409611.db2.gz OJFDXXOQXOLDOY-UHFFFAOYSA-N -1 1 345.358 3.893 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)c(F)c(Cl)c3)no2)n[n-]1 ZINC001212429464 1128585212 /nfs/dbraw/zinc/58/52/12/1128585212.db2.gz GHCKLZDTJCRYKK-UHFFFAOYSA-N -1 1 341.129 3.775 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)c(F)c(Cl)c3)no2)[n-]n1 ZINC001212429464 1128585213 /nfs/dbraw/zinc/58/52/13/1128585213.db2.gz GHCKLZDTJCRYKK-UHFFFAOYSA-N -1 1 341.129 3.775 20 0 EHADMM CCCc1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000109713561 1128747808 /nfs/dbraw/zinc/74/78/08/1128747808.db2.gz DWBFARRMQVQGMK-UHFFFAOYSA-N -1 1 335.376 3.902 20 0 EHADMM COC(=O)c1ccc(Cl)nc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214479892 1128810251 /nfs/dbraw/zinc/81/02/51/1128810251.db2.gz IOPQNWWGXWUHEJ-UHFFFAOYSA-N -1 1 331.130 3.763 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2ncoc2-c2ccccc2)s1 ZINC000112000416 1128899313 /nfs/dbraw/zinc/89/93/13/1128899313.db2.gz DLLFCQKNQSSZSC-UHFFFAOYSA-N -1 1 328.397 3.788 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001648977132 1120316425 /nfs/dbraw/zinc/31/64/25/1120316425.db2.gz IXPQBGLIRAVPPU-TXEJJXNPSA-N -1 1 328.799 3.632 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1c[nH]c2cccc(F)c21 ZINC000185165262 1120402384 /nfs/dbraw/zinc/40/23/84/1120402384.db2.gz VEBJRYZWLOCRHD-UHFFFAOYSA-N -1 1 344.289 3.525 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000187051206 1120485063 /nfs/dbraw/zinc/48/50/63/1120485063.db2.gz MOLUTXRPOSQFSA-UHFFFAOYSA-N -1 1 331.368 3.788 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)c1 ZINC000187056649 1120485091 /nfs/dbraw/zinc/48/50/91/1120485091.db2.gz YCICAOBLXXNFST-UHFFFAOYSA-N -1 1 345.420 3.997 20 0 EHADMM CC(C)[C@H]1CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494399993 1120550285 /nfs/dbraw/zinc/55/02/85/1120550285.db2.gz QFOGHRUHBRTUFG-CQSZACIVSA-N -1 1 334.416 3.610 20 0 EHADMM CCc1cccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000189238664 1120565807 /nfs/dbraw/zinc/56/58/07/1120565807.db2.gz NKYZUWKJSRMKCJ-UHFFFAOYSA-N -1 1 330.453 3.919 20 0 EHADMM CCc1cccc(CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000189238664 1120565811 /nfs/dbraw/zinc/56/58/11/1120565811.db2.gz NKYZUWKJSRMKCJ-UHFFFAOYSA-N -1 1 330.453 3.919 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000064375202 1128925680 /nfs/dbraw/zinc/92/56/80/1128925680.db2.gz ZFPHWIWHAYKDSH-UHFFFAOYSA-N -1 1 345.342 3.905 20 0 EHADMM Cc1c(=O)[n-]c(SC[C@@H]2CCC(C)(C)O2)nc1-c1ccccc1 ZINC000189481329 1120588979 /nfs/dbraw/zinc/58/89/79/1120588979.db2.gz ISFUIKAPRXQKDN-AWEZNQCLSA-N -1 1 330.453 3.795 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)c1 ZINC000190394265 1120636291 /nfs/dbraw/zinc/63/62/91/1120636291.db2.gz FYVVGEWIGLTZCS-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM O=C(Nc1cnn(Cc2ccccc2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000190966331 1120656652 /nfs/dbraw/zinc/65/66/52/1120656652.db2.gz RXFNTZVUYWAGSG-UHFFFAOYSA-N -1 1 342.786 3.934 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(-c2nc([C@H]3CCCO3)no2)c([O-])c1 ZINC000495317347 1121069241 /nfs/dbraw/zinc/06/92/41/1121069241.db2.gz MXRVWTDFJBOBJQ-CYBMUJFWSA-N -1 1 347.371 3.641 20 0 EHADMM O=C([O-])c1cnc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000303091018 1121365792 /nfs/dbraw/zinc/36/57/92/1121365792.db2.gz YLMWSYZTKXFJID-OAHLLOKOSA-N -1 1 345.830 3.510 20 0 EHADMM Cc1cnc(C2CCN(C(=O)c3c([O-])cccc3Cl)CC2)s1 ZINC000762731528 1121430939 /nfs/dbraw/zinc/43/09/39/1121430939.db2.gz BMPDFWCAFHTYIT-UHFFFAOYSA-N -1 1 336.844 3.830 20 0 EHADMM COc1ncc(Nc2c(Cl)ccc(Br)c2[O-])cc1N ZINC001203513620 1121532264 /nfs/dbraw/zinc/53/22/64/1121532264.db2.gz ADOVYAVWMFNNDB-UHFFFAOYSA-N -1 1 344.596 3.538 20 0 EHADMM COC(=O)c1c(F)ccc(Nc2cc(F)c([O-])c(Cl)c2)c1OC ZINC001214492009 1129013193 /nfs/dbraw/zinc/01/31/93/1129013193.db2.gz PIXFHLRWEKRYRG-UHFFFAOYSA-N -1 1 343.713 3.863 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1 ZINC000055637116 1121848187 /nfs/dbraw/zinc/84/81/87/1121848187.db2.gz FFMPCTXCQTVKSV-UHFFFAOYSA-N -1 1 347.436 3.725 20 0 EHADMM [O-]c1c(F)cc(Nc2cccc(F)c2OC2COC2)cc1Cl ZINC001214494519 1129020381 /nfs/dbraw/zinc/02/03/81/1129020381.db2.gz RUQWLZONGOSCQD-UHFFFAOYSA-N -1 1 327.714 3.845 20 0 EHADMM O=C(Nc1cccc(N2CCOC2=O)c1)Nc1ccc([O-])c(Cl)c1 ZINC000496754414 1122171977 /nfs/dbraw/zinc/17/19/77/1122171977.db2.gz CGUOMNOVHSWYEZ-UHFFFAOYSA-N -1 1 347.758 3.646 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCC(C)(F)F)c([O-])c1 ZINC000496782298 1122177287 /nfs/dbraw/zinc/17/72/87/1122177287.db2.gz UPUXOIWZIPYAEI-UHFFFAOYSA-N -1 1 344.358 3.514 20 0 EHADMM COc1ccc(N(C(=O)c2ccc(OC)cc2[O-])[C@@H](C)C2CC2)cc1 ZINC000124609795 1122289661 /nfs/dbraw/zinc/28/96/61/1122289661.db2.gz HDWULKIEPUGILR-ZDUSSCGKSA-N -1 1 341.407 3.855 20 0 EHADMM COc1ccc(N(C(=O)c2ccc(OC)cc2[O-])[C@H](C)C2CC2)cc1 ZINC000124609987 1122289853 /nfs/dbraw/zinc/28/98/53/1122289853.db2.gz HDWULKIEPUGILR-CYBMUJFWSA-N -1 1 341.407 3.855 20 0 EHADMM CN(Cc1csc2ccccc12)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068652749 1122678764 /nfs/dbraw/zinc/67/87/64/1122678764.db2.gz NYCFVRDSHCMEPH-UHFFFAOYSA-N -1 1 349.415 3.822 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000497849347 1122682435 /nfs/dbraw/zinc/68/24/35/1122682435.db2.gz SMECEYOHXLEKCD-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1(C)C ZINC000670417678 1122707138 /nfs/dbraw/zinc/70/71/38/1122707138.db2.gz FLUQOYOFCPBCCB-KBPBESRZSA-N -1 1 345.361 3.687 20 0 EHADMM CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000498215083 1122801965 /nfs/dbraw/zinc/80/19/65/1122801965.db2.gz AXHYBXNHVFRZBY-GWCFXTLKSA-N -1 1 342.233 3.607 20 0 EHADMM Cc1nc(SC[C@H]2CC[C@H](C(F)(F)F)O2)[n-]c(=O)c1C1CC1 ZINC000918464319 1122813714 /nfs/dbraw/zinc/81/37/14/1122813714.db2.gz ZHTHCGNVNSHPQJ-NXEZZACHSA-N -1 1 334.363 3.570 20 0 EHADMM Cc1ncsc1-c1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212482457 1129089472 /nfs/dbraw/zinc/08/94/72/1129089472.db2.gz NCVJLFZCARBSNX-UHFFFAOYSA-N -1 1 336.376 3.936 20 0 EHADMM Cc1ccc([C@H](C)NC(=O)c2cnc3nc(C)ccc3c2[O-])s1 ZINC000919765222 1123145462 /nfs/dbraw/zinc/14/54/62/1123145462.db2.gz QEXYZPBOZKFELM-NSHDSACASA-N -1 1 327.409 3.505 20 0 EHADMM Cc1ccc([C@H](C)NC(=O)c2c[n-]c3nc(C)ccc3c2=O)s1 ZINC000919765222 1123145464 /nfs/dbraw/zinc/14/54/64/1123145464.db2.gz QEXYZPBOZKFELM-NSHDSACASA-N -1 1 327.409 3.505 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc2ccccc2c1 ZINC000132911786 1123317214 /nfs/dbraw/zinc/31/72/14/1123317214.db2.gz UUGVUDIOXJLUNH-UHFFFAOYSA-N -1 1 325.389 3.671 20 0 EHADMM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1c([O-])cccc1Cl ZINC000920459611 1123371625 /nfs/dbraw/zinc/37/16/25/1123371625.db2.gz CRYHNDSADPOJBB-ZDUSSCGKSA-N -1 1 335.762 3.828 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[nH]n1 ZINC000135031646 1123575675 /nfs/dbraw/zinc/57/56/75/1123575675.db2.gz VNCVBYRPEYCBSW-UHFFFAOYSA-N -1 1 334.228 3.641 20 0 EHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H](C)c1cccnc1 ZINC000135116020 1123583824 /nfs/dbraw/zinc/58/38/24/1123583824.db2.gz RXNXSSDCQNMGGL-LLVKDONJSA-N -1 1 334.803 3.673 20 0 EHADMM C/C(=C\c1ccccc1)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000137006803 1123744556 /nfs/dbraw/zinc/74/45/56/1123744556.db2.gz BSVJFGMRBSYMLJ-JLHYYAGUSA-N -1 1 325.437 3.520 20 0 EHADMM O=C(Nc1cccc(OCc2cccnc2)c1)c1cc(F)ccc1[O-] ZINC000081943560 1123932860 /nfs/dbraw/zinc/93/28/60/1123932860.db2.gz RUTGXVIVRPKAAR-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1 ZINC000734975867 1131301403 /nfs/dbraw/zinc/30/14/03/1131301403.db2.gz PCEAFNBFTIIHCP-KTKRTIGZSA-N -1 1 342.342 3.821 20 0 EHADMM COc1cc(C(=O)N2CC(Cc3ccc(C)cc3)C2)cc(Cl)c1[O-] ZINC000618892006 1125234172 /nfs/dbraw/zinc/23/41/72/1125234172.db2.gz RCWMZFIVYVZQJA-UHFFFAOYSA-N -1 1 345.826 3.677 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)ccc1O ZINC000182476409 1125312852 /nfs/dbraw/zinc/31/28/52/1125312852.db2.gz SBPVZNJJWADFAJ-UHFFFAOYSA-N -1 1 329.780 3.602 20 0 EHADMM COc1cc(C(=O)NC2CCC3(CC3(F)F)CC2)cc(Cl)c1[O-] ZINC000619233796 1125322026 /nfs/dbraw/zinc/32/20/26/1125322026.db2.gz MJGQIIJTTJKMBM-UHFFFAOYSA-N -1 1 345.773 3.752 20 0 EHADMM CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000182874547 1125384479 /nfs/dbraw/zinc/38/44/79/1125384479.db2.gz MSTKFZIFMYTSGQ-UHFFFAOYSA-N -1 1 332.787 3.892 20 0 EHADMM C[C@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1(F)F ZINC000338887781 1129706438 /nfs/dbraw/zinc/70/64/38/1129706438.db2.gz UVQRIJIWDRXTJM-VIFPVBQESA-N -1 1 340.757 3.711 20 0 EHADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000509073374 1129721349 /nfs/dbraw/zinc/72/13/49/1129721349.db2.gz AQCSFYVJDTXHGN-UHFFFAOYSA-N -1 1 345.342 3.530 20 0 EHADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ccc([O-])c(Cl)c3)c2c1 ZINC000509177696 1129920780 /nfs/dbraw/zinc/92/07/80/1129920780.db2.gz IJVRZRRSNUPVAC-UHFFFAOYSA-N -1 1 346.745 3.999 20 0 EHADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)[nH]n1 ZINC000675547196 1130425312 /nfs/dbraw/zinc/42/53/12/1130425312.db2.gz QHWYGBYZZUGVNM-UHFFFAOYSA-N -1 1 345.827 3.592 20 0 EHADMM Cc1nc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)sc1C ZINC000675643834 1130437371 /nfs/dbraw/zinc/43/73/71/1130437371.db2.gz ZAADKJNHNMOPIK-UHFFFAOYSA-N -1 1 330.453 3.560 20 0 EHADMM Cc1n[n-]cc1S(=O)(=O)Oc1cc(C(C)C)c(Cl)cc1C ZINC000732216109 1130898805 /nfs/dbraw/zinc/89/88/05/1130898805.db2.gz SACJHLNYNYULMP-UHFFFAOYSA-N -1 1 328.821 3.571 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000347931710 1131091782 /nfs/dbraw/zinc/09/17/82/1131091782.db2.gz TUKHCBPNLOTOLO-UHFFFAOYSA-N -1 1 337.489 3.547 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](CC)C(F)(F)F)cc(Cl)c1[O-] ZINC000348063935 1131146908 /nfs/dbraw/zinc/14/69/08/1131146908.db2.gz WSMGZBBWJBVXHJ-JTQLQIEISA-N -1 1 325.714 3.515 20 0 EHADMM O=C(NCc1ccc(OC(F)F)cc1)c1c([O-])cccc1Cl ZINC000144150617 1131159702 /nfs/dbraw/zinc/15/97/02/1131159702.db2.gz UGVCSDZFGVKTCC-UHFFFAOYSA-N -1 1 327.714 3.577 20 0 EHADMM CCCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000741647947 1131629812 /nfs/dbraw/zinc/62/98/12/1131629812.db2.gz UPIFTDAYGUOQMM-UHFFFAOYSA-N -1 1 329.343 3.857 20 0 EHADMM Cn1ccc2ccc(-c3noc(-c4ncc(C(F)(F)F)[n-]4)n3)cc21 ZINC001212689666 1131899961 /nfs/dbraw/zinc/89/99/61/1131899961.db2.gz LIQZMCNCFOBNML-UHFFFAOYSA-N -1 1 333.273 3.637 20 0 EHADMM Cn1ccc2ccc(-c3noc(-c4nc(C(F)(F)F)c[n-]4)n3)cc21 ZINC001212689666 1131899971 /nfs/dbraw/zinc/89/99/71/1131899971.db2.gz LIQZMCNCFOBNML-UHFFFAOYSA-N -1 1 333.273 3.637 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)[n-]1 ZINC001212690131 1131901801 /nfs/dbraw/zinc/90/18/01/1131901801.db2.gz ZEDCLHOHBQXTBC-UHFFFAOYSA-N -1 1 349.316 3.746 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccc(N4CCCC4)cc3)no2)n1 ZINC001212690131 1131901808 /nfs/dbraw/zinc/90/18/08/1131901808.db2.gz ZEDCLHOHBQXTBC-UHFFFAOYSA-N -1 1 349.316 3.746 20 0 EHADMM Fc1cccc([C@@H]2CCN2Cn2[n-]c(-c3ccccn3)nc2=S)c1 ZINC000743389722 1131909474 /nfs/dbraw/zinc/90/94/74/1131909474.db2.gz MDWWUVFRZWTMOO-HNNXBMFYSA-N -1 1 341.415 3.546 20 0 EHADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000743636447 1131956650 /nfs/dbraw/zinc/95/66/50/1131956650.db2.gz FNOHNLDITVKGMI-MEDUHNTESA-N -1 1 349.789 3.787 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2ccc(F)c(C(F)(F)F)c2)no1 ZINC001212721677 1132057224 /nfs/dbraw/zinc/05/72/24/1132057224.db2.gz ZRWMZUUVSRMHBK-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000744523932 1132117263 /nfs/dbraw/zinc/11/72/63/1132117263.db2.gz XYAHVBKVJXTUGU-UHFFFAOYSA-N -1 1 337.375 3.784 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C(C)C)c2N)c1 ZINC000744845692 1132155427 /nfs/dbraw/zinc/15/54/27/1132155427.db2.gz GNAYYZLMKMOKKQ-UHFFFAOYSA-N -1 1 341.407 3.700 20 0 EHADMM CCSc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cn1 ZINC000744945777 1132169527 /nfs/dbraw/zinc/16/95/27/1132169527.db2.gz IQTWPHSTWXRKBP-UHFFFAOYSA-N -1 1 345.420 3.501 20 0 EHADMM CS[C@@H](C(=O)OCCc1cc(C(C)=O)ccc1[O-])c1ccccc1 ZINC000745071376 1132187914 /nfs/dbraw/zinc/18/79/14/1132187914.db2.gz KQUCEBKNCHXGRO-GOSISDBHSA-N -1 1 344.432 3.785 20 0 EHADMM COc1ccccc1C(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000745189837 1132211751 /nfs/dbraw/zinc/21/17/51/1132211751.db2.gz RJKFLSPCUNERCE-UHFFFAOYSA-N -1 1 333.815 3.762 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000187053930 1132428276 /nfs/dbraw/zinc/42/82/76/1132428276.db2.gz VLEZUCSVRVQQKN-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM O=C(Nc1cncc(C(F)F)c1)c1ccc2ccc(O)cc2c1[O-] ZINC001174886852 1132482879 /nfs/dbraw/zinc/48/28/79/1132482879.db2.gz SGSUNCRWQHHVBE-UHFFFAOYSA-N -1 1 330.290 3.836 20 0 EHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccc(N2CCOCC2)nc1 ZINC001174978322 1132518353 /nfs/dbraw/zinc/51/83/53/1132518353.db2.gz VUOAVCDFCHFMNY-UHFFFAOYSA-N -1 1 340.210 3.674 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ccccc23)cc1N ZINC001174986996 1132536193 /nfs/dbraw/zinc/53/61/93/1132536193.db2.gz JEXTYMWKHKEWBK-UHFFFAOYSA-N -1 1 326.421 3.840 20 0 EHADMM COc1ccc(-c2nnsc2[N-]c2c(F)ccc(O)c2F)cc1 ZINC001175264217 1132622608 /nfs/dbraw/zinc/62/26/08/1132622608.db2.gz UURNBVRNYRIZQX-UHFFFAOYSA-N -1 1 335.335 3.941 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000766572166 1132637035 /nfs/dbraw/zinc/63/70/35/1132637035.db2.gz QKQVVRJASSNQKE-UHFFFAOYSA-N -1 1 346.235 3.941 20 0 EHADMM C[S@@](=O)c1ccccc1Nc1ccc(F)c(Br)c1[O-] ZINC001175319648 1132637871 /nfs/dbraw/zinc/63/78/71/1132637871.db2.gz YVNTUGYERCAXTQ-LJQANCHMSA-N -1 1 344.205 3.775 20 0 EHADMM CCOc1ncc(Nc2c(Cl)ccc(Br)c2[O-])cn1 ZINC001175562205 1132712135 /nfs/dbraw/zinc/71/21/35/1132712135.db2.gz FDURUQUKUOZBHX-UHFFFAOYSA-N -1 1 344.596 3.740 20 0 EHADMM Cc1ccc(CNc2ccc([P@@](=O)([O-])O)cc2)c2ccccc12 ZINC001169416735 1132747954 /nfs/dbraw/zinc/74/79/54/1132747954.db2.gz JDBSWLKZOSJLNT-UHFFFAOYSA-N -1 1 327.320 3.563 20 0 EHADMM Cc1ccc(CNc2ccc([P@](=O)([O-])O)cc2)c2ccccc12 ZINC001169416735 1132747957 /nfs/dbraw/zinc/74/79/57/1132747957.db2.gz JDBSWLKZOSJLNT-UHFFFAOYSA-N -1 1 327.320 3.563 20 0 EHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1nnc(-c2cccs2)o1 ZINC000773573395 1132918861 /nfs/dbraw/zinc/91/88/61/1132918861.db2.gz LYONVAXZJPSUMZ-MRVPVSSYSA-N -1 1 334.328 3.561 20 0 EHADMM O=C(OCc1coc(-c2cccc(F)c2)n1)c1ccc([O-])cc1F ZINC000773569836 1132921266 /nfs/dbraw/zinc/92/12/66/1132921266.db2.gz XAOYQHLWEJQMSK-UHFFFAOYSA-N -1 1 331.274 3.682 20 0 EHADMM CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC001176645273 1132976620 /nfs/dbraw/zinc/97/66/20/1132976620.db2.gz STSNJWQXDUKGBW-UHFFFAOYSA-N -1 1 340.832 3.510 20 0 EHADMM COC(=O)CCc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176670619 1132978308 /nfs/dbraw/zinc/97/83/08/1132978308.db2.gz ILPIDBYYHDHVFF-UHFFFAOYSA-N -1 1 325.286 3.659 20 0 EHADMM COC(=O)CCc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176672605 1132979419 /nfs/dbraw/zinc/97/94/19/1132979419.db2.gz OQMJZAZFQWACGY-UHFFFAOYSA-N -1 1 343.276 3.798 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)cnc2Br)c1F ZINC001176663562 1132987035 /nfs/dbraw/zinc/98/70/35/1132987035.db2.gz FWWRSNXOLCIVLU-UHFFFAOYSA-N -1 1 337.070 3.850 20 0 EHADMM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000773691251 1133083337 /nfs/dbraw/zinc/08/33/37/1133083337.db2.gz CBPIBMHWGLBHNZ-UHFFFAOYSA-N -1 1 339.207 3.577 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@@H](c1ccccn1)C1CC1 ZINC001178241801 1133151554 /nfs/dbraw/zinc/15/15/54/1133151554.db2.gz DEBRLQDIIGGKFL-CQSZACIVSA-N -1 1 336.313 3.938 20 0 EHADMM COc1ccc2oc(CNc3ccc(-n4ccc(=O)[n-]4)cc3)cc2c1 ZINC001179308431 1133241327 /nfs/dbraw/zinc/24/13/27/1133241327.db2.gz QIMSEGNSCCUCIT-UHFFFAOYSA-N -1 1 335.363 3.945 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 ZINC000769634833 1133319513 /nfs/dbraw/zinc/31/95/13/1133319513.db2.gz VDGHNOXTQBMMOW-GJZGRUSLSA-N -1 1 333.476 3.949 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1c([O-])cccc1Cl ZINC000769758581 1133338212 /nfs/dbraw/zinc/33/82/12/1133338212.db2.gz KLYJTSWKOXCVBA-MLGOLLRUSA-N -1 1 331.799 3.648 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCS[C@H](c2ccccc2)C1 ZINC000769869830 1133360272 /nfs/dbraw/zinc/36/02/72/1133360272.db2.gz CWPADXSFMPQGJB-HNNXBMFYSA-N -1 1 333.840 3.976 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)nc2)c([O-])c1 ZINC000770024992 1133378983 /nfs/dbraw/zinc/37/89/83/1133378983.db2.gz KIJSGGLUHWPSAN-UHFFFAOYSA-N -1 1 347.346 3.526 20 0 EHADMM Cc1ncc(Br)cc1NCc1ccc([O-])c(F)c1F ZINC001181921756 1133552029 /nfs/dbraw/zinc/55/20/29/1133552029.db2.gz UEKSRCDMSZGAHP-UHFFFAOYSA-N -1 1 329.144 3.748 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(C(F)(F)F)nc1Cl ZINC001183054459 1133764489 /nfs/dbraw/zinc/76/44/89/1133764489.db2.gz MMAROQJBNNMICB-UHFFFAOYSA-N -1 1 334.656 3.851 20 0 EHADMM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001184523827 1133949186 /nfs/dbraw/zinc/94/91/86/1133949186.db2.gz KEUMNDCYDNDZHM-UHFFFAOYSA-N -1 1 339.288 3.882 20 0 EHADMM O=c1nc(Cl)cc(Sc2nnc(-c3ccc(Cl)s3)o2)[n-]1 ZINC001185488304 1134097290 /nfs/dbraw/zinc/09/72/90/1134097290.db2.gz JIDOKQRZSUHTIS-UHFFFAOYSA-N -1 1 347.208 3.752 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2c1CCCCC2=O ZINC001185836695 1134139154 /nfs/dbraw/zinc/13/91/54/1134139154.db2.gz TYPHGRGRDUDMKX-UHFFFAOYSA-N -1 1 347.411 3.844 20 0 EHADMM O=C(NCCc1cc(C(F)(F)F)ccc1F)c1ccc([O-])c(F)c1 ZINC001186233734 1134184738 /nfs/dbraw/zinc/18/47/38/1134184738.db2.gz OYWABXFSMTUQDT-UHFFFAOYSA-N -1 1 345.267 3.662 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2ccc(C(F)(F)F)c(F)c2F)o1 ZINC001186458954 1134223298 /nfs/dbraw/zinc/22/32/98/1134223298.db2.gz CESRHRYGPYEJLS-UHFFFAOYSA-N -1 1 349.259 3.916 20 0 EHADMM O=S(=O)([N-]C1(CC2CCC2)CCC(F)(F)CC1)c1ccco1 ZINC001186883407 1134267405 /nfs/dbraw/zinc/26/74/05/1134267405.db2.gz AEAQUYXOVSTDIZ-UHFFFAOYSA-N -1 1 333.400 3.696 20 0 EHADMM O=S(=O)(Nc1ccccc1[S-])c1cc2c(s1)CCCC2 ZINC001187206785 1134313925 /nfs/dbraw/zinc/31/39/25/1134313925.db2.gz KFUMOZPMYNKQPI-UHFFFAOYSA-N -1 1 325.480 3.716 20 0 EHADMM O=C(CCCOc1ccc(F)cc1F)Nc1nc(Cl)ccc1[O-] ZINC000789930204 1134345942 /nfs/dbraw/zinc/34/59/42/1134345942.db2.gz IKBINUCKFWGCPS-UHFFFAOYSA-N -1 1 342.729 3.517 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC000790046501 1134359411 /nfs/dbraw/zinc/35/94/11/1134359411.db2.gz GRDNUOLFZRGREC-UHFFFAOYSA-N -1 1 338.701 3.507 20 0 EHADMM Cc1oc(-c2cccs2)nc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790046938 1134364404 /nfs/dbraw/zinc/36/44/04/1134364404.db2.gz QZODCDUNLOFCFJ-UHFFFAOYSA-N -1 1 335.772 3.718 20 0 EHADMM COc1ccc(C2(C(=O)Nc3nc(Cl)ccc3[O-])CCC2)cc1 ZINC000790048404 1134364967 /nfs/dbraw/zinc/36/49/67/1134364967.db2.gz QGPUZYGWKVHDHK-UHFFFAOYSA-N -1 1 332.787 3.510 20 0 EHADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(Cl)ccc2[O-])c1C(C)C ZINC000790050868 1134365673 /nfs/dbraw/zinc/36/56/73/1134365673.db2.gz LSUUWPSPTAHNGP-UHFFFAOYSA-N -1 1 335.791 3.655 20 0 EHADMM CC(C)(CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187986119 1134409048 /nfs/dbraw/zinc/40/90/48/1134409048.db2.gz MHNYEPPJSKIOOS-UHFFFAOYSA-N -1 1 337.272 3.636 20 0 EHADMM CC(C)Cn1cnc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001188571882 1134477771 /nfs/dbraw/zinc/47/77/71/1134477771.db2.gz HJWYXNKHGOFRSB-UHFFFAOYSA-N -1 1 327.306 3.516 20 0 EHADMM Cc1c2ccc(NC(=O)c3ccc([O-])c(C(F)(F)F)c3)cc2nn1C ZINC001188585710 1134484839 /nfs/dbraw/zinc/48/48/39/1134484839.db2.gz HAORNUYIARJPLC-UHFFFAOYSA-N -1 1 349.312 3.858 20 0 EHADMM O=C(Nc1cccc([O-])c1Cl)Nc1cc(F)cc2c1OCOC2 ZINC001188874305 1134515981 /nfs/dbraw/zinc/51/59/81/1134515981.db2.gz SKTYSHBSLCWENM-UHFFFAOYSA-N -1 1 338.722 3.695 20 0 EHADMM CSc1nc(NC(=O)Nc2cccc3ccccc32)cc(=O)[n-]1 ZINC001188910520 1134518453 /nfs/dbraw/zinc/51/84/53/1134518453.db2.gz WIOTZAAJTIFAKC-UHFFFAOYSA-N -1 1 326.381 3.701 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)OCC2)c1ccc(F)c2ccccc21 ZINC001189385949 1134578399 /nfs/dbraw/zinc/57/83/99/1134578399.db2.gz RENVXVWNOPFCIL-UHFFFAOYSA-N -1 1 343.379 3.715 20 0 EHADMM Cc1ccc(O)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC001189531701 1134599963 /nfs/dbraw/zinc/59/99/63/1134599963.db2.gz LKSOYSNJEDWZEL-UHFFFAOYSA-N -1 1 345.342 3.661 20 0 EHADMM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)CCCF ZINC001189868428 1134632882 /nfs/dbraw/zinc/63/28/82/1134632882.db2.gz JQUCCFJQPGEGHB-UHFFFAOYSA-N -1 1 341.429 3.719 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3cccs3)n2)o1 ZINC001190565482 1134718383 /nfs/dbraw/zinc/71/83/83/1134718383.db2.gz HPCAMAJMSUEPRK-UHFFFAOYSA-N -1 1 334.426 3.804 20 0 EHADMM O=C(Nc1ccccc1OC(F)(F)F)Nc1cc(Cl)ncc1[O-] ZINC001190656780 1134733745 /nfs/dbraw/zinc/73/37/45/1134733745.db2.gz DKMUKESQFFRJIP-UHFFFAOYSA-N -1 1 347.680 3.983 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)cc1 ZINC001191248767 1134836876 /nfs/dbraw/zinc/83/68/76/1134836876.db2.gz HYOBZXCOGDLEAI-UHFFFAOYSA-N -1 1 337.416 3.978 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC3)cc1 ZINC001191248726 1134836974 /nfs/dbraw/zinc/83/69/74/1134836974.db2.gz GHNXJRHTOXPDTA-UHFFFAOYSA-N -1 1 331.437 3.765 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@H]2C=CCCCCC2)c(=O)[n-]1 ZINC000793401348 1134925596 /nfs/dbraw/zinc/92/55/96/1134925596.db2.gz LNFLLVLDRGUFOK-ZDUSSCGKSA-N -1 1 336.457 3.577 20 0 EHADMM COc1ccc(C)cc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191855276 1134928080 /nfs/dbraw/zinc/92/80/80/1134928080.db2.gz HGZLAFVCNMQWHO-UHFFFAOYSA-N -1 1 343.807 3.738 20 0 EHADMM CC(C)c1ccccc1NC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001192226249 1134988411 /nfs/dbraw/zinc/98/84/11/1134988411.db2.gz QXPCXTVFVAYNLQ-UHFFFAOYSA-N -1 1 333.373 3.636 20 0 EHADMM Cc1ccc2[nH]cc(CN(C)C(=O)c3c(F)ccc([O-])c3F)c2c1 ZINC001192536578 1135032454 /nfs/dbraw/zinc/03/24/54/1135032454.db2.gz WIWRTCMOCREYOU-UHFFFAOYSA-N -1 1 330.334 3.732 20 0 EHADMM COc1ccc(C2=CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC001192540932 1135032551 /nfs/dbraw/zinc/03/25/51/1135032551.db2.gz RLFXFDQJCLDBAF-UHFFFAOYSA-N -1 1 345.345 3.609 20 0 EHADMM CCN(C(=O)c1cc([O-])cc(F)c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001192651226 1135039846 /nfs/dbraw/zinc/03/98/46/1135039846.db2.gz BVHNBCYASFPPEW-LBPRGKRZSA-N -1 1 349.377 3.772 20 0 EHADMM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1cc([O-])cc(F)c1F ZINC001192670893 1135043624 /nfs/dbraw/zinc/04/36/24/1135043624.db2.gz OZQMFXCPRFMSBB-UHFFFAOYSA-N -1 1 349.211 3.527 20 0 EHADMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc([O-])cc(F)c1F ZINC001192685263 1135045454 /nfs/dbraw/zinc/04/54/54/1135045454.db2.gz ZXVACJSHSDOJRT-JBYDNAENSA-N -1 1 343.373 3.983 20 0 EHADMM CCc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1CC ZINC000775574132 1135101594 /nfs/dbraw/zinc/10/15/94/1135101594.db2.gz VHQMENKLTBFEKE-UHFFFAOYSA-N -1 1 327.428 3.991 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c2ccccc12 ZINC001193824635 1135189360 /nfs/dbraw/zinc/18/93/60/1135189360.db2.gz NLEQJGUZZAZCCV-UHFFFAOYSA-N -1 1 341.388 3.678 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)oc1ccccc12 ZINC001193924082 1135205319 /nfs/dbraw/zinc/20/53/19/1135205319.db2.gz INYSYSVMAJIISN-UHFFFAOYSA-N -1 1 338.388 3.969 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(Cc2ccccc2)cc1 ZINC001193924188 1135205477 /nfs/dbraw/zinc/20/54/77/1135205477.db2.gz MUAHNBPYHXYIPV-UHFFFAOYSA-N -1 1 338.432 3.660 20 0 EHADMM CC(C)c1ncc(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)[n-]1 ZINC000747236840 1135255991 /nfs/dbraw/zinc/25/59/91/1135255991.db2.gz HJNTVXXHRGXYSA-UHFFFAOYSA-N -1 1 335.212 3.608 20 0 EHADMM CC(C)c1nc(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)c[n-]1 ZINC000747236840 1135255997 /nfs/dbraw/zinc/25/59/97/1135255997.db2.gz HJNTVXXHRGXYSA-UHFFFAOYSA-N -1 1 335.212 3.608 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])Oc1ccc(Br)cc1 ZINC001194599544 1135290204 /nfs/dbraw/zinc/29/02/04/1135290204.db2.gz XHSGBNUDQVFUBE-UHFFFAOYSA-N -1 1 326.121 3.905 20 0 EHADMM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1 ZINC001194642388 1135295769 /nfs/dbraw/zinc/29/57/69/1135295769.db2.gz DMMUUXFMGUCOSL-UHFFFAOYSA-N -1 1 347.436 3.671 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2cc(O)ccc21 ZINC001194643273 1135296152 /nfs/dbraw/zinc/29/61/52/1135296152.db2.gz JZKHLSUDXUFEFP-UHFFFAOYSA-N -1 1 327.405 3.963 20 0 EHADMM O=C(Nc1c(Cl)ccc2ncccc21)c1c[n-]c(C(F)(F)F)n1 ZINC001194781796 1135314606 /nfs/dbraw/zinc/31/46/06/1135314606.db2.gz IMVZNZLCLFEINI-UHFFFAOYSA-N -1 1 340.692 3.882 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CCC3)c1 ZINC001195159038 1135384707 /nfs/dbraw/zinc/38/47/07/1135384707.db2.gz KTUCCNRQSKTEOH-IBGZPJMESA-N -1 1 345.464 3.981 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(Br)c(C)cc1C ZINC001195490534 1135432624 /nfs/dbraw/zinc/43/26/24/1135432624.db2.gz IKVCUWDZJDQAEY-UHFFFAOYSA-N -1 1 331.235 3.509 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(OCc2ccccc2)ccc1F ZINC001195492186 1135432646 /nfs/dbraw/zinc/43/26/46/1135432646.db2.gz FLPSIELTTWSAHU-UHFFFAOYSA-N -1 1 348.399 3.848 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cccnc1OC(F)F ZINC001195737191 1135464151 /nfs/dbraw/zinc/46/41/51/1135464151.db2.gz PZQLNFUGEPVBGQ-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM Cc1ccccc1[C@H]1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747376168 1135527063 /nfs/dbraw/zinc/52/70/63/1135527063.db2.gz VRHJACOBTUTOSN-HNNXBMFYSA-N -1 1 339.439 3.552 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2nc(Cl)ccc2c1 ZINC000807368297 1135539656 /nfs/dbraw/zinc/53/96/56/1135539656.db2.gz 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1135683625 /nfs/dbraw/zinc/68/36/25/1135683625.db2.gz WCBFRQFKSBSFLZ-NSHDSACASA-N -1 1 346.329 3.517 20 0 EHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1csc2ncccc12 ZINC001197564878 1135706268 /nfs/dbraw/zinc/70/62/68/1135706268.db2.gz PAGGMQKELUFMAC-UHFFFAOYSA-N -1 1 340.376 3.516 20 0 EHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(Cl)ccc1F ZINC001197601062 1135713144 /nfs/dbraw/zinc/71/31/44/1135713144.db2.gz TYZFAARSQVENJL-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM Cc1cc(Cl)nc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197646214 1135715793 /nfs/dbraw/zinc/71/57/93/1135715793.db2.gz SBVZYRQKWHONRE-UHFFFAOYSA-N -1 1 349.214 3.778 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)nc1 ZINC001197715793 1135722717 /nfs/dbraw/zinc/72/27/17/1135722717.db2.gz ILDSQEQQPUJZCH-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)n1 ZINC001197726006 1135731110 /nfs/dbraw/zinc/73/11/10/1135731110.db2.gz MWMATUSYNLFGEI-UHFFFAOYSA-N -1 1 345.251 3.947 20 0 EHADMM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1 ZINC001198106256 1135776224 /nfs/dbraw/zinc/77/62/24/1135776224.db2.gz YMHYXDJYGBXDOM-CYBMUJFWSA-N -1 1 341.436 3.944 20 0 EHADMM O=S(=O)([N-]c1cc2cccccc-2c1)c1ccc2nccnc2c1 ZINC001198118292 1135778764 /nfs/dbraw/zinc/77/87/64/1135778764.db2.gz XNNYHBPYPZZXJW-UHFFFAOYSA-N -1 1 335.388 3.535 20 0 EHADMM Cc1cccc(C2CC2)c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198154912 1135779610 /nfs/dbraw/zinc/77/96/10/1135779610.db2.gz DMKCTYIQZXKZDI-UHFFFAOYSA-N -1 1 339.420 3.616 20 0 EHADMM Cc1nc2c(s1)[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)CCC2 ZINC000867289661 1135859063 /nfs/dbraw/zinc/85/90/63/1135859063.db2.gz OORRGXXXXHIPFY-ZDUSSCGKSA-N -1 1 336.844 3.547 20 0 EHADMM O=S(=O)([N-]c1ccc2sncc2c1)c1ccc2occc2c1 ZINC001198859171 1135861806 /nfs/dbraw/zinc/86/18/06/1135861806.db2.gz QVFSJMACDRTHIJ-UHFFFAOYSA-N -1 1 330.390 3.843 20 0 EHADMM COCCC1(CNC(=O)c2c([O-])cccc2Cl)CCCCC1 ZINC000775984049 1135910852 /nfs/dbraw/zinc/91/08/52/1135910852.db2.gz 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338.338 3.758 20 0 EHADMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([O-])cn1 ZINC001136340694 1136994015 /nfs/dbraw/zinc/99/40/15/1136994015.db2.gz AKICOXLKEISUPG-UHFFFAOYSA-N -1 1 325.195 3.756 20 0 EHADMM COc1ccccc1C1(CNC(=O)c2c([O-])cccc2F)CCCC1 ZINC001136404244 1137015630 /nfs/dbraw/zinc/01/56/30/1137015630.db2.gz UJOVABSNVXOAKH-UHFFFAOYSA-N -1 1 343.398 3.782 20 0 EHADMM O=C(Nc1cc(F)ccc1N1CCCCC1)c1cccc([O-])c1F ZINC001136549611 1137051359 /nfs/dbraw/zinc/05/13/59/1137051359.db2.gz OWMLLOUWIVEGKI-UHFFFAOYSA-N -1 1 332.350 3.913 20 0 EHADMM COc1ccc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)c([O-])c1 ZINC001136555525 1137052433 /nfs/dbraw/zinc/05/24/33/1137052433.db2.gz SZCNMOKYARDONB-UHFFFAOYSA-N -1 1 339.395 3.758 20 0 EHADMM O=C(Nc1ccc(F)c(F)c1[O-])c1ccc(CN2CCCCC2)o1 ZINC000822310189 1137056405 /nfs/dbraw/zinc/05/64/05/1137056405.db2.gz KLVDOLWXQGVVCV-UHFFFAOYSA-N -1 1 336.338 3.502 20 0 EHADMM Cc1nc(C(C)C)oc1C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000823085886 1137086698 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[O-]c1cc(F)c(CN2CCc3c([nH]nc3C(F)(F)F)C2)c(F)c1 ZINC001144562054 1137310205 /nfs/dbraw/zinc/31/02/05/1137310205.db2.gz WRDLUOMATGYTJW-ZDUSSCGKSA-N -1 1 333.260 3.527 20 0 EHADMM O=C(c1ccccc1F)C1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144567605 1137311326 /nfs/dbraw/zinc/31/13/26/1137311326.db2.gz UHQOYXABEGJNJR-UHFFFAOYSA-N -1 1 349.352 3.904 20 0 EHADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)no1 ZINC000266070718 1137313887 /nfs/dbraw/zinc/31/38/87/1137313887.db2.gz RWTZYBSGDIWVGF-UHFFFAOYSA-N -1 1 334.426 3.804 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@@H]3CCCS3)nc2)[n-]c(=O)c1C ZINC000866094502 1137328965 /nfs/dbraw/zinc/32/89/65/1137328965.db2.gz YWMOQLYPQGACQY-AWEZNQCLSA-N -1 1 330.457 3.559 20 0 EHADMM CC[C@@H](OCCNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC001144957119 1137372841 /nfs/dbraw/zinc/37/28/41/1137372841.db2.gz WSEGKMVXPYBGRE-QGZVFWFLSA-N -1 1 333.815 3.943 20 0 EHADMM CCSCC[C@H](C)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001147860600 1137414295 /nfs/dbraw/zinc/41/42/95/1137414295.db2.gz JBRITLGNYQXPBE-NSHDSACASA-N -1 1 336.432 3.683 20 0 EHADMM O=C(N[C@@H]1CCCc2cccnc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001148799813 1137435008 /nfs/dbraw/zinc/43/50/08/1137435008.db2.gz WBEMTAIBNKEIKD-CYBMUJFWSA-N -1 1 336.313 3.613 20 0 EHADMM Cc1cc2c(cn1)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001148805968 1137435327 /nfs/dbraw/zinc/43/53/27/1137435327.db2.gz KGVKMTDMVKRUCA-CQSZACIVSA-N -1 1 336.313 3.532 20 0 EHADMM Cc1cc(NC(=O)c2cccc(-c3ccccc3)c2[O-])n(CCF)n1 ZINC001148866869 1137436760 /nfs/dbraw/zinc/43/67/60/1137436760.db2.gz IIAOSSHJTGXABI-UHFFFAOYSA-N -1 1 339.370 3.786 20 0 EHADMM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ncccc1[O-] ZINC001148928860 1137438761 /nfs/dbraw/zinc/43/87/61/1137438761.db2.gz GMXCOCLJSZICKH-UHFFFAOYSA-N -1 1 336.794 3.878 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1cc(F)c(F)cc1Br ZINC001171632978 1137500125 /nfs/dbraw/zinc/50/01/25/1137500125.db2.gz ZLPXLXDKSPHBQD-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM COc1ccc([C@@H](NCc2csc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000871883574 1137562421 /nfs/dbraw/zinc/56/24/21/1137562421.db2.gz RRGNARAZKRNIAG-CYBMUJFWSA-N -1 1 345.342 3.691 20 0 EHADMM CCc1c(=O)n(-c2cc(Cl)nc(SC)n2)[n-]c1-c1ccccc1 ZINC000871956890 1137563733 /nfs/dbraw/zinc/56/37/33/1137563733.db2.gz HJKRUQYSHAKUDF-LLVKDONJSA-N -1 1 346.843 3.629 20 0 EHADMM Cc1ccc(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1C(=O)[O-] ZINC000872158375 1137574265 /nfs/dbraw/zinc/57/42/65/1137574265.db2.gz CBSSSVFLQJGXEY-OXJNMPFZSA-N -1 1 339.435 3.964 20 0 EHADMM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1F ZINC000872406132 1137579500 /nfs/dbraw/zinc/57/95/00/1137579500.db2.gz HWFQSJTWPHYWPW-UHFFFAOYSA-N -1 1 339.363 3.652 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC(Cc2c(F)cccc2F)C1 ZINC001137086509 1137630680 /nfs/dbraw/zinc/63/06/80/1137630680.db2.gz XPYLHWHGAUCGQS-UHFFFAOYSA-N -1 1 337.753 3.639 20 0 EHADMM CC[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1nc(C)cs1 ZINC000875243582 1137630903 /nfs/dbraw/zinc/63/09/03/1137630903.db2.gz XFGXOPPVQNUYKI-LBPRGKRZSA-N -1 1 339.848 3.761 20 0 EHADMM Cc1csc(C(C)(C)[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)n1 ZINC000875328577 1137631887 /nfs/dbraw/zinc/63/18/87/1137631887.db2.gz AWXRNVPRUNNIBW-UHFFFAOYSA-N -1 1 346.349 3.873 20 0 EHADMM CC[C@@](C)([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1nccs1 ZINC000875352952 1137632252 /nfs/dbraw/zinc/63/22/52/1137632252.db2.gz LWQGMXUEKIEGHL-CQSZACIVSA-N -1 1 346.349 3.955 20 0 EHADMM CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1c([O-])cccc1F ZINC000825873840 1137650271 /nfs/dbraw/zinc/65/02/71/1137650271.db2.gz PMUQBTIEIVCVCO-NSHDSACASA-N -1 1 340.395 3.505 20 0 EHADMM CCCCCC[C@H](C)CC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000880651991 1137783416 /nfs/dbraw/zinc/78/34/16/1137783416.db2.gz CRYNXBCQQPORFV-LBPRGKRZSA-N -1 1 325.478 3.517 20 0 EHADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000130407653 1137836977 /nfs/dbraw/zinc/83/69/77/1137836977.db2.gz CIISRFGPLKDXAH-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM O=C(Nc1cnn(C2CCC2)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000889055670 1137880769 /nfs/dbraw/zinc/88/07/69/1137880769.db2.gz MTSMDGYQRNRAGP-UHFFFAOYSA-N -1 1 325.290 3.585 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCCc3sccc32)cc(Cl)c1[O-] ZINC000331762930 1137919518 /nfs/dbraw/zinc/91/95/18/1137919518.db2.gz BMXWULYFTYTGDZ-LBPRGKRZSA-N -1 1 337.828 3.923 20 0 EHADMM CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000333017272 1137952957 /nfs/dbraw/zinc/95/29/57/1137952957.db2.gz CLKBCGQWLISJMV-KRWDZBQOSA-N -1 1 349.434 3.610 20 0 EHADMM O=C([N-][C@H]1CCCc2cccnc21)C(F)(F)c1cc(F)cc(F)c1 ZINC000885380917 1137998053 /nfs/dbraw/zinc/99/80/53/1137998053.db2.gz ZAUZKCWHVSOQTN-AWEZNQCLSA-N -1 1 338.304 3.645 20 0 EHADMM CC(C)[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(=O)OC(C)(C)C ZINC000885680161 1138018278 /nfs/dbraw/zinc/01/82/78/1138018278.db2.gz NAFSGXBJCUWKGN-CYBMUJFWSA-N -1 1 345.798 3.737 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)[C@@H]1CCCc2sccc21 ZINC000886266503 1138063008 /nfs/dbraw/zinc/06/30/08/1138063008.db2.gz OLMLYMVAZYJWMS-GFCCVEGCSA-N -1 1 337.391 3.511 20 0 EHADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCCc1c(F)cc([O-])cc1F ZINC000886269790 1138063120 /nfs/dbraw/zinc/06/31/20/1138063120.db2.gz HKINAPJPLIHGFX-HOCLYGCPSA-N -1 1 345.336 3.545 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)c1cc(C2CC2)oc1C1CC1 ZINC000886271370 1138063358 /nfs/dbraw/zinc/06/33/58/1138063358.db2.gz HCMDEQDUQGBCCL-UHFFFAOYSA-N -1 1 347.361 3.991 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCC[C@H]2C)c1 ZINC000078427718 1138149284 /nfs/dbraw/zinc/14/92/84/1138149284.db2.gz YSPUATYZOUPQJZ-CQSZACIVSA-N -1 1 344.484 3.707 20 0 EHADMM Cc1ccc(C)n1C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000263649342 1138335704 /nfs/dbraw/zinc/33/57/04/1138335704.db2.gz DEZCGEUWOPQLJR-UHFFFAOYSA-N -1 1 332.831 3.941 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000337777382 1138665713 /nfs/dbraw/zinc/66/57/13/1138665713.db2.gz QVSSQTUNUBALSF-UHFFFAOYSA-N -1 1 337.470 3.590 20 0 EHADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137246511 1138873840 /nfs/dbraw/zinc/87/38/40/1138873840.db2.gz FKGCDLQJBVSIIE-HZPDHXFCSA-N -1 1 331.437 3.655 20 0 EHADMM COc1cnc([C@H]2CCCN2C(=O)CCCC2CCCCC2)[n-]c1=O ZINC000889795809 1139269267 /nfs/dbraw/zinc/26/92/67/1139269267.db2.gz ROLULJKTMJYIRC-OAHLLOKOSA-N -1 1 347.459 3.605 20 0 EHADMM CC(C)(C)c1ncsc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000176627328 1139569968 /nfs/dbraw/zinc/56/99/68/1139569968.db2.gz MWYCSKDQHROSCH-UHFFFAOYSA-N -1 1 336.364 3.563 20 0 EHADMM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000184596010 1140110966 /nfs/dbraw/zinc/11/09/66/1140110966.db2.gz WZDHFIYPNAYJDY-UHFFFAOYSA-N -1 1 343.774 3.633 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2ccncc2)cc(Cl)c1[O-] ZINC000186715615 1140218652 /nfs/dbraw/zinc/21/86/52/1140218652.db2.gz VMBOQJSIGKAEJZ-NSHDSACASA-N -1 1 334.803 3.673 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCC[C@H](SC)C2)cc(Cl)c1[O-] ZINC000186817543 1140223040 /nfs/dbraw/zinc/22/30/40/1140223040.db2.gz BAEZBYGSXAULJT-NEPJUHHUSA-N -1 1 343.876 3.848 20 0 EHADMM COc1cccc(C=C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000268633445 1140965275 /nfs/dbraw/zinc/96/52/75/1140965275.db2.gz WLFGUHRNBQUOMP-UHFFFAOYSA-N -1 1 341.382 3.860 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Cl)cc1F ZINC000339118503 1141502151 /nfs/dbraw/zinc/50/21/51/1141502151.db2.gz HXQQIHMRLQDUET-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM Cc1ccc2cc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)[nH]c2c1 ZINC000339132160 1141505077 /nfs/dbraw/zinc/50/50/77/1141505077.db2.gz GQLVVGOHYCINAU-UHFFFAOYSA-N -1 1 332.363 3.824 20 0 EHADMM O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000020522679 212143991 /nfs/dbraw/zinc/14/39/91/212143991.db2.gz GEIQBVRCWWWQFS-UHFFFAOYSA-N -1 1 346.386 3.575 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000119773251 221397490 /nfs/dbraw/zinc/39/74/90/221397490.db2.gz UQKINCALOJMQSK-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM CC(C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1Cl ZINC000820174679 607308830 /nfs/dbraw/zinc/30/88/30/607308830.db2.gz VTOKCYKCSSKOPV-UHFFFAOYSA-N -1 1 333.779 3.512 20 0 EHADMM CC(C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1Cl ZINC000820174679 607308831 /nfs/dbraw/zinc/30/88/31/607308831.db2.gz VTOKCYKCSSKOPV-UHFFFAOYSA-N -1 1 333.779 3.512 20 0 EHADMM Cc1ncc(-c2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2)o1 ZINC000822466860 607311887 /nfs/dbraw/zinc/31/18/87/607311887.db2.gz DKGLKSWIOXIUNM-UHFFFAOYSA-N -1 1 338.396 3.504 20 0 EHADMM CCCOc1ccc(NCc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000821134299 607313196 /nfs/dbraw/zinc/31/31/96/607313196.db2.gz SHICSFYGHLTQMN-UHFFFAOYSA-N -1 1 329.429 3.638 20 0 EHADMM CC(C)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000735927774 598577635 /nfs/dbraw/zinc/57/76/35/598577635.db2.gz BMPHDSKIIFRPKL-UHFFFAOYSA-N -1 1 328.807 3.651 20 0 EHADMM CC(C)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000735927774 598577636 /nfs/dbraw/zinc/57/76/36/598577636.db2.gz BMPHDSKIIFRPKL-UHFFFAOYSA-N -1 1 328.807 3.651 20 0 EHADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC2(CCCCC2)CC1 ZINC000738530028 599853317 /nfs/dbraw/zinc/85/33/17/599853317.db2.gz APNAEAPSZKGKPJ-UHFFFAOYSA-N -1 1 344.455 3.678 20 0 EHADMM Cc1ncsc1CN(C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000315651597 599928535 /nfs/dbraw/zinc/92/85/35/599928535.db2.gz BKGQPDFJCXSPAF-UHFFFAOYSA-N -1 1 332.450 3.996 20 0 EHADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccnc2ccccc21 ZINC000736822547 600207728 /nfs/dbraw/zinc/20/77/28/600207728.db2.gz DTJJTGWCYIGWAI-OAHLLOKOSA-N -1 1 347.418 3.648 20 0 EHADMM C[C@H](c1ccc(Br)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405364055 600296162 /nfs/dbraw/zinc/29/61/62/600296162.db2.gz RTRHIGURZATPDU-BXUZGUMPSA-N -1 1 338.245 3.697 20 0 EHADMM C[C@@H]1c2c(F)cccc2CCN1CCOc1cccc(C(=O)[O-])c1 ZINC000736837183 600440526 /nfs/dbraw/zinc/44/05/26/600440526.db2.gz KFTSHLXJJONNCD-CYBMUJFWSA-N -1 1 329.371 3.522 20 0 EHADMM Cc1oc(CN2CCS[C@@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000738978849 600491063 /nfs/dbraw/zinc/49/10/63/600491063.db2.gz KQDHPHRCYDVYGK-GUYCJALGSA-N -1 1 331.437 3.965 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1Br ZINC000087846506 600627288 /nfs/dbraw/zinc/62/72/88/600627288.db2.gz MXRNGDFWEFYPLM-LLVKDONJSA-N -1 1 334.213 3.998 20 0 EHADMM O=C([O-])[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccccc1F ZINC000833167699 600734944 /nfs/dbraw/zinc/73/49/44/600734944.db2.gz OURBBFICJWXUEL-CABCVRRESA-N -1 1 335.375 3.917 20 0 EHADMM COc1cc(C)c([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000831961629 600738404 /nfs/dbraw/zinc/73/84/04/600738404.db2.gz IOAUUGADLIKDQI-KZULUSFZSA-N -1 1 347.386 3.628 20 0 EHADMM CSc1ccc(OCCN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000652454197 600814289 /nfs/dbraw/zinc/81/42/89/600814289.db2.gz JUPBSHNRUGCSPA-UHFFFAOYSA-N -1 1 335.425 3.519 20 0 EHADMM CN(C[C@@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000652400263 600820617 /nfs/dbraw/zinc/82/06/17/600820617.db2.gz HINFLXPMWXKADU-SMDDNHRTSA-N -1 1 332.227 3.620 20 0 EHADMM Cc1noc(C)c1CN(C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000833021971 600820761 /nfs/dbraw/zinc/82/07/61/600820761.db2.gz WERXPGTYLJKJGY-UHFFFAOYSA-N -1 1 330.409 3.836 20 0 EHADMM CC1(C)[C@@H]2CN(Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C[C@@H]21 ZINC000652426769 600832982 /nfs/dbraw/zinc/83/29/82/600832982.db2.gz LBPFTPUMASCINO-GASCZTMLSA-N -1 1 328.437 3.596 20 0 EHADMM O=C([O-])[C@H](Sc1nc(CCC2CCCC2)n[nH]1)c1ccccc1F ZINC000833168827 600836821 /nfs/dbraw/zinc/83/68/21/600836821.db2.gz FAZXCBMTMLEQID-OAHLLOKOSA-N -1 1 349.431 3.985 20 0 EHADMM O=C([O-])[C@H](Sc1n[nH]c(CCC2CCCC2)n1)c1ccccc1F ZINC000833168827 600836824 /nfs/dbraw/zinc/83/68/24/600836824.db2.gz FAZXCBMTMLEQID-OAHLLOKOSA-N -1 1 349.431 3.985 20 0 EHADMM CC[C@]1(C)CCCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829043916 600848418 /nfs/dbraw/zinc/84/84/18/600848418.db2.gz IKHSIYWRWQIEPC-AUUYWEPGSA-N -1 1 332.444 3.532 20 0 EHADMM C[C@@H](CN(Cc1ccccc1)Cn1cc(-c2ccccc2)cn1)C(=O)[O-] ZINC000736583026 601089281 /nfs/dbraw/zinc/08/92/81/601089281.db2.gz IWSULFLWYRPHAB-KRWDZBQOSA-N -1 1 349.434 3.731 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000826051911 601202702 /nfs/dbraw/zinc/20/27/02/601202702.db2.gz DYZPCVVJQBXBBK-WBMJQRKESA-N -1 1 342.420 3.955 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000830369869 601415894 /nfs/dbraw/zinc/41/58/94/601415894.db2.gz UBLUEVRKSAOKPA-AWEZNQCLSA-N -1 1 343.379 3.606 20 0 EHADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000569492607 601583945 /nfs/dbraw/zinc/58/39/45/601583945.db2.gz NREFHSHBCILRFC-UXHICEINSA-N -1 1 339.435 3.536 20 0 EHADMM c1csc(-c2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2)n1 ZINC000826526385 607518965 /nfs/dbraw/zinc/51/89/65/607518965.db2.gz WSBVHDFHZCICHY-UHFFFAOYSA-N -1 1 340.437 3.664 20 0 EHADMM O=C([O-])c1sccc1CSc1nc(-c2ccccc2F)n[nH]1 ZINC000833348538 601805363 /nfs/dbraw/zinc/80/53/63/601805363.db2.gz YYURWNDYHXHVPB-UHFFFAOYSA-N -1 1 335.385 3.663 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000324308696 601840960 /nfs/dbraw/zinc/84/09/60/601840960.db2.gz YKBXWANRWCCRCP-UHFFFAOYSA-N -1 1 332.375 3.558 20 0 EHADMM O=C([O-])c1ccc(CSc2n[nH]c(CCC3CCCC3)n2)s1 ZINC000833317158 601892055 /nfs/dbraw/zinc/89/20/55/601892055.db2.gz MHFBDKKJRNTWTH-UHFFFAOYSA-N -1 1 337.470 3.980 20 0 EHADMM O=C([O-])c1ccc(CSc2nc(CCC3CCCC3)n[nH]2)s1 ZINC000833317158 601892058 /nfs/dbraw/zinc/89/20/58/601892058.db2.gz MHFBDKKJRNTWTH-UHFFFAOYSA-N -1 1 337.470 3.980 20 0 EHADMM CN(Cc1ccc(Br)s1)Cc1ccc(C(=O)[O-])s1 ZINC000566359283 601938153 /nfs/dbraw/zinc/93/81/53/601938153.db2.gz GJTSSCKPUPGFIO-UHFFFAOYSA-N -1 1 346.271 3.902 20 0 EHADMM COc1cccc(C=C2CCN(Cc3ccoc3C(=O)[O-])CC2)c1 ZINC000832545312 602230697 /nfs/dbraw/zinc/23/06/97/602230697.db2.gz GHERZVPNVYLYEE-UHFFFAOYSA-N -1 1 327.380 3.666 20 0 EHADMM CC(C)(C)c1csc(CN(C2CC2)C2CCN(C(=O)[O-])CC2)n1 ZINC000823865564 603492543 /nfs/dbraw/zinc/49/25/43/603492543.db2.gz XMWFJGYGSCAZKF-UHFFFAOYSA-N -1 1 337.489 3.547 20 0 EHADMM CN(Cc1cc2ccccc2nc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828351120 603786187 /nfs/dbraw/zinc/78/61/87/603786187.db2.gz WPEUSYJVSFNWGT-UHFFFAOYSA-N -1 1 347.846 3.899 20 0 EHADMM C[C@H](Oc1ccc(CN2CCCC[C@@H]2c2ccco2)cc1)C(=O)[O-] ZINC000833544083 604642295 /nfs/dbraw/zinc/64/22/95/604642295.db2.gz WSHYLEKEWJQYPF-WMLDXEAASA-N -1 1 329.396 3.859 20 0 EHADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1Cl ZINC000827716950 604985456 /nfs/dbraw/zinc/98/54/56/604985456.db2.gz CIUNMWVWOAKASX-YMTOWFKASA-N -1 1 325.195 3.865 20 0 EHADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000833813171 605601451 /nfs/dbraw/zinc/60/14/51/605601451.db2.gz NZTOQRDUDCBYSH-QWRGUYRKSA-N -1 1 348.415 3.604 20 0 EHADMM O=C([O-])N[C@H]1C[C@H](NCc2ccccc2OC(F)F)c2ccccc21 ZINC000834158162 605788796 /nfs/dbraw/zinc/78/87/96/605788796.db2.gz NEONANVAPHQVAE-GJZGRUSLSA-N -1 1 348.349 3.831 20 0 EHADMM COc1ccccc1[C@@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821882660 606468854 /nfs/dbraw/zinc/46/88/54/606468854.db2.gz HFOSAZAMGZNEEH-SECBINFHSA-N -1 1 347.831 3.777 20 0 EHADMM COc1ccccc1[C@@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821882660 606468856 /nfs/dbraw/zinc/46/88/56/606468856.db2.gz HFOSAZAMGZNEEH-SECBINFHSA-N -1 1 347.831 3.777 20 0 EHADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2c1 ZINC000820392667 606493731 /nfs/dbraw/zinc/49/37/31/606493731.db2.gz YIQIDQDDXVHIBF-LLVKDONJSA-N -1 1 349.419 3.572 20 0 EHADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2c1 ZINC000820392667 606493733 /nfs/dbraw/zinc/49/37/33/606493733.db2.gz YIQIDQDDXVHIBF-LLVKDONJSA-N -1 1 349.419 3.572 20 0 EHADMM Cc1ccc(CSc2c3ccccc3nnc2-c2nn[n-]n2)cc1C ZINC000822239810 606946667 /nfs/dbraw/zinc/94/66/67/606946667.db2.gz FLNMQFGIEKOCFJ-UHFFFAOYSA-N -1 1 348.435 3.719 20 0 EHADMM C[C@@H]1C[C@@H]1[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000824899872 607900476 /nfs/dbraw/zinc/90/04/76/607900476.db2.gz PPVQABUWNJNGIA-HICWGWBUSA-N -1 1 340.818 3.724 20 0 EHADMM C[C@@H]1C[C@@H]1[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000824899872 607900477 /nfs/dbraw/zinc/90/04/77/607900477.db2.gz PPVQABUWNJNGIA-HICWGWBUSA-N -1 1 340.818 3.724 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)s1 ZINC000824129717 608347783 /nfs/dbraw/zinc/34/77/83/608347783.db2.gz FNNLFDIZBSGADR-IWIIMEHWSA-N -1 1 345.472 3.600 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(-c2nn[n-]n2)s1 ZINC000824129717 608347786 /nfs/dbraw/zinc/34/77/86/608347786.db2.gz FNNLFDIZBSGADR-IWIIMEHWSA-N -1 1 345.472 3.600 20 0 EHADMM CC(C)(C)c1cc(NC(=O)CCC(C)(F)F)c(-c2nnn[n-]2)s1 ZINC000824464740 946717834 /nfs/dbraw/zinc/71/78/34/946717834.db2.gz JDYUUCBZLOSQCU-UHFFFAOYSA-N -1 1 343.403 3.600 20 0 EHADMM CC(C)(C)c1cc(NC(=O)CCC(C)(F)F)c(-c2nn[n-]n2)s1 ZINC000824464740 946717842 /nfs/dbraw/zinc/71/78/42/946717842.db2.gz JDYUUCBZLOSQCU-UHFFFAOYSA-N -1 1 343.403 3.600 20 0 EHADMM CC[C@@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC001589585458 949044720 /nfs/dbraw/zinc/04/47/20/949044720.db2.gz JGHMCYZXPIMKDG-KRWDZBQOSA-N -1 1 344.480 3.715 20 0 EHADMM C[C@@H](c1ccccc1)c1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001575515312 949185520 /nfs/dbraw/zinc/18/55/20/949185520.db2.gz HPJKQACQHYQISP-ZDUSSCGKSA-N -1 1 344.378 3.601 20 0 EHADMM CC1(C)CC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001575640773 950899783 /nfs/dbraw/zinc/89/97/83/950899783.db2.gz KKYALAWZKWPREO-UHFFFAOYSA-N -1 1 334.855 3.932 20 0 EHADMM CC1(C)CC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001575640773 950899796 /nfs/dbraw/zinc/89/97/96/950899796.db2.gz KKYALAWZKWPREO-UHFFFAOYSA-N -1 1 334.855 3.932 20 0 EHADMM CCOc1ccc(-c2nc(CN3CCCC[C@@H]3CC(=O)[O-])co2)cc1 ZINC000652463664 954085455 /nfs/dbraw/zinc/08/54/55/954085455.db2.gz PKVFRYUOWHNXJR-MRXNPFEDSA-N -1 1 344.411 3.570 20 0 EHADMM O=C([O-])[C@@H]1CN(CCOc2ccc(F)cc2Cl)Cc2ccccc21 ZINC000652469827 954087333 /nfs/dbraw/zinc/08/73/33/954087333.db2.gz FUIPMWUAJAITBU-OAHLLOKOSA-N -1 1 349.789 3.542 20 0 EHADMM O=C([O-])[C@@H]1C[N@@H+](CCCc2c(F)cccc2F)Cc2ccccc21 ZINC000656190831 954300060 /nfs/dbraw/zinc/30/00/60/954300060.db2.gz SKEORTVETDTSCL-MRXNPFEDSA-N -1 1 331.362 3.581 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1cc(F)ccc1OC(F)F ZINC000662216326 954386949 /nfs/dbraw/zinc/38/69/49/954386949.db2.gz SEDHLVWFWXTPHF-CYBMUJFWSA-N -1 1 331.334 3.646 20 0 EHADMM CC[C@H](C(=O)OC(C)(C)C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001589448036 954783100 /nfs/dbraw/zinc/78/31/00/954783100.db2.gz WCGURQUMKXNTOG-QGZVFWFLSA-N -1 1 347.455 3.685 20 0 EHADMM Cc1ccccc1CN(C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904189193 956915311 /nfs/dbraw/zinc/91/53/11/956915311.db2.gz DQTLHGOISTVLHN-UHFFFAOYSA-N -1 1 342.439 3.521 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000923469753 957119125 /nfs/dbraw/zinc/11/91/25/957119125.db2.gz FGWVQCLZCUDCOC-ZDUSSCGKSA-N -1 1 336.379 3.547 20 0 EHADMM O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2F)C[C@H]1C1CC1 ZINC000923529276 957125441 /nfs/dbraw/zinc/12/54/41/957125441.db2.gz BMNUTRUCRORGIF-NWDGAFQWSA-N -1 1 332.202 3.675 20 0 EHADMM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001573391235 958701974 /nfs/dbraw/zinc/70/19/74/958701974.db2.gz SOGHPZMBWZZOGG-SECBINFHSA-N -1 1 344.198 3.555 20 0 EHADMM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137276839 958921480 /nfs/dbraw/zinc/92/14/80/958921480.db2.gz CDQPTBRFVGJMFQ-ZDUSSCGKSA-N -1 1 346.652 3.932 20 0 EHADMM C[C@H](CC(F)(F)F)NCc1ccc(C(=O)[O-])cc1Br ZINC000235454111 960437932 /nfs/dbraw/zinc/43/79/32/960437932.db2.gz ZNDBYZMYIHGRLC-SSDOTTSWSA-N -1 1 340.139 3.578 20 0 EHADMM O=C([O-])c1ccc(CC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000263371704 962529916 /nfs/dbraw/zinc/52/99/16/962529916.db2.gz YLXALGNWTUCVAM-UHFFFAOYSA-N -1 1 349.390 3.710 20 0 EHADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000320660441 970693250 /nfs/dbraw/zinc/69/32/50/970693250.db2.gz QKQUCZQKQLYQRL-GFCCVEGCSA-N -1 1 341.251 3.544 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](N[C@H]2CCc3ccc(Cl)nc32)c2ccccc21 ZINC001605983071 973017467 /nfs/dbraw/zinc/01/74/67/973017467.db2.gz GAGABOQLIUBGJM-ILXRZTDVSA-N -1 1 328.799 3.625 20 0 EHADMM CC[C@H](C)N(CC(=O)[O-])Cc1cnc(CCc2ccccc2)s1 ZINC000414680814 973948289 /nfs/dbraw/zinc/94/82/89/973948289.db2.gz LQXIBKYCJHXVDV-AWEZNQCLSA-N -1 1 332.469 3.613 20 0 EHADMM O=C([O-])c1cc(CN2CCC(Oc3ccc(F)cc3)CC2)cs1 ZINC000566743690 974621160 /nfs/dbraw/zinc/62/11/60/974621160.db2.gz QIPDXMGVRFWQCP-UHFFFAOYSA-N -1 1 335.400 3.629 20 0 EHADMM COc1cc(CN(C)Cc2csc(C(=O)[O-])c2)ccc1SC ZINC000579484157 974876985 /nfs/dbraw/zinc/87/69/85/974876985.db2.gz HKPCTFCRDLGJLY-UHFFFAOYSA-N -1 1 337.466 3.809 20 0 EHADMM O=C([O-])c1ccc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)nc1 ZINC000583757763 974945754 /nfs/dbraw/zinc/94/57/54/974945754.db2.gz GOMKSHASUKFKNY-LJQANCHMSA-N -1 1 335.407 3.988 20 0 EHADMM CCc1ccc(C2CCN(Cc3nc(C(=O)[O-])cs3)CC2)cc1 ZINC000629378785 975091556 /nfs/dbraw/zinc/09/15/56/975091556.db2.gz UEKBJLUGVHJLTN-UHFFFAOYSA-N -1 1 330.453 3.783 20 0 EHADMM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Cl)cc1OC ZINC000630464830 975266137 /nfs/dbraw/zinc/26/61/37/975266137.db2.gz ZUVVAUSGRSWMBE-KRWDZBQOSA-N -1 1 349.814 3.663 20 0 EHADMM CC(C)OC(=O)C[C@@H](NCc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC001591676938 975452354 /nfs/dbraw/zinc/45/23/54/975452354.db2.gz KHUNOCGTKMRZDU-MRXNPFEDSA-N -1 1 347.436 3.619 20 0 EHADMM CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C12CCC2 ZINC000652440890 975535277 /nfs/dbraw/zinc/53/52/77/975535277.db2.gz FHFISHLMQDPDMZ-HZPDHXFCSA-N -1 1 337.847 3.818 20 0 EHADMM CCOc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c(C)c1 ZINC000656565007 975664086 /nfs/dbraw/zinc/66/40/86/975664086.db2.gz CGKQYSFVUVJPBC-KRWDZBQOSA-N -1 1 335.350 3.587 20 0 EHADMM C[C@@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1cccc(F)c1 ZINC001592278056 977559293 /nfs/dbraw/zinc/55/92/93/977559293.db2.gz NIHXQCJHFNZZKR-JTQLQIEISA-N -1 1 341.342 3.533 20 0 EHADMM COc1cccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1F ZINC001625783568 1014502944 /nfs/dbraw/zinc/50/29/44/1014502944.db2.gz WHCVFKPAJMAASK-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM C[C@@H]1c2c(F)cccc2CCN1CCOc1ccccc1C(=O)[O-] ZINC000768782024 978739631 /nfs/dbraw/zinc/73/96/31/978739631.db2.gz POGIVZHLHIJWRI-CYBMUJFWSA-N -1 1 329.371 3.522 20 0 EHADMM CC[C@@H](CN(CC)CC(=O)c1cc(C(=O)[O-])[nH]c1C)c1ccccc1 ZINC001595130112 979540022 /nfs/dbraw/zinc/54/00/22/979540022.db2.gz VHSJWKAZWOSRRL-HNNXBMFYSA-N -1 1 342.439 3.720 20 0 EHADMM O=C([O-])c1cccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1Cl ZINC000872166530 980062694 /nfs/dbraw/zinc/06/26/94/980062694.db2.gz XRGVMIZJUDKMBI-HNNXBMFYSA-N -1 1 349.789 3.831 20 0 EHADMM CCc1oc(CN2CCC[C@@H]2c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000901415337 980260295 /nfs/dbraw/zinc/26/02/95/980260295.db2.gz HVPZGENTPUUYGT-QGZVFWFLSA-N -1 1 329.396 3.886 20 0 EHADMM Cc1ccc(-c2ncc(CN(CC(=O)[O-])CC(C)C)s2)cc1C ZINC000901589433 980394803 /nfs/dbraw/zinc/39/48/03/980394803.db2.gz QGNQGZZUEVOVSC-UHFFFAOYSA-N -1 1 332.469 3.970 20 0 EHADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C(=O)[O-])c(C)o1 ZINC000902267690 980809453 /nfs/dbraw/zinc/80/94/53/980809453.db2.gz HLPIFCHDGXIXHV-QLJPJBMISA-N -1 1 337.803 3.805 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000902432297 980883540 /nfs/dbraw/zinc/88/35/40/980883540.db2.gz NEXOZQINHGYDEV-CQSZACIVSA-N -1 1 335.787 3.943 20 0 EHADMM CC(C)(NCc1cc(C(=O)[O-])co1)c1ccc(OC(F)(F)F)cc1 ZINC000902438106 980886052 /nfs/dbraw/zinc/88/60/52/980886052.db2.gz UXGGWJRWGGVQLR-UHFFFAOYSA-N -1 1 343.301 3.901 20 0 EHADMM O=C([O-])c1cc(CN2CCCCC[C@H]2/C=C/c2ccccc2)on1 ZINC000902525979 980921733 /nfs/dbraw/zinc/92/17/33/980921733.db2.gz PEYDMIOZDFYKSF-OFAQMXQXSA-N -1 1 326.396 3.831 20 0 EHADMM CC[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1cc(F)ccc1OC ZINC000902573322 980938900 /nfs/dbraw/zinc/93/89/00/980938900.db2.gz YFJQFCWHUAUCGR-KRWDZBQOSA-N -1 1 347.386 3.539 20 0 EHADMM CC[C@@H](NCc1ccc(OCC(=O)[O-])cc1)c1cc(F)ccc1OC ZINC000902573323 980939187 /nfs/dbraw/zinc/93/91/87/980939187.db2.gz YFJQFCWHUAUCGR-QGZVFWFLSA-N -1 1 347.386 3.539 20 0 EHADMM Cc1ccc(C)c(C2CCN(Cc3nc(C(=O)[O-])cs3)CC2)c1 ZINC000903962164 981078054 /nfs/dbraw/zinc/07/80/54/981078054.db2.gz KKUICDPRRAYSPH-UHFFFAOYSA-N -1 1 330.453 3.838 20 0 EHADMM COc1cccc([C@H](NCc2cc(C(C)C)ccc2OC)C(=O)[O-])c1 ZINC000905397091 981115766 /nfs/dbraw/zinc/11/57/66/981115766.db2.gz RBYMRFSDXONUCC-IBGZPJMESA-N -1 1 343.423 3.743 20 0 EHADMM CC[C@@](C)(CC(=O)[O-])NCc1nnc(-c2cccc3ccccc32)o1 ZINC001594828693 981998247 /nfs/dbraw/zinc/99/82/47/981998247.db2.gz IWMJRXPTYZUGJT-IBGZPJMESA-N -1 1 339.395 3.623 20 0 EHADMM CCCCCC[C@](O)(CN1CCc2sc(Cl)cc2C1)C(=O)[O-] ZINC001595702706 982264592 /nfs/dbraw/zinc/26/45/92/982264592.db2.gz LMJQIOQLGJNNNL-INIZCTEOSA-N -1 1 345.892 3.546 20 0 EHADMM CC[C@H](C)[C@@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)[O-] ZINC001594927932 982529285 /nfs/dbraw/zinc/52/92/85/982529285.db2.gz AAVBODSZZJAJRY-IINYFYTJSA-N -1 1 331.441 3.552 20 0 EHADMM Cc1[nH]c(CNCc2ccncc2OCCC(C)(C)C)cc1C(=O)[O-] ZINC001599962846 985827198 /nfs/dbraw/zinc/82/71/98/985827198.db2.gz FDPRSRIZXOWQTC-UHFFFAOYSA-N -1 1 345.443 3.521 20 0 EHADMM CCOc1ccccc1[C@@H](CC)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001597172767 987007573 /nfs/dbraw/zinc/00/75/73/987007573.db2.gz JUHIMUHNHUCOOH-CABCVRRESA-N -1 1 343.427 3.556 20 0 EHADMM CC(C)(C)C[C@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)[O-] ZINC001589761766 988091732 /nfs/dbraw/zinc/09/17/32/988091732.db2.gz KGMIVVULAQVMHO-NSHDSACASA-N -1 1 341.383 3.731 20 0 EHADMM CSCc1cc(F)ccc1CNCc1ccc(/C=C/C(=O)[O-])o1 ZINC001599802527 988199901 /nfs/dbraw/zinc/19/99/01/988199901.db2.gz PVNOBCCSLUOUBW-VOTSOKGWSA-N -1 1 335.400 3.669 20 0 EHADMM CCc1ccccc1CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001597609529 988496932 /nfs/dbraw/zinc/49/69/32/988496932.db2.gz PXUAAKNQOWJIJR-UHFFFAOYSA-N -1 1 325.408 3.514 20 0 EHADMM CCc1nc(C(C)C)ccc1CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001597652847 988700451 /nfs/dbraw/zinc/70/04/51/988700451.db2.gz SOAFOOKIBNAJQZ-FQEVSTJZSA-N -1 1 341.455 3.642 20 0 EHADMM CCc1oc(CN2CCC(Nc3ccccc3)CC2)cc1C(=O)[O-] ZINC001597797102 989357738 /nfs/dbraw/zinc/35/77/38/989357738.db2.gz VCHFETBIBOYZQR-UHFFFAOYSA-N -1 1 328.412 3.617 20 0 EHADMM CCc1oc(CNCc2cccc(OC(F)(F)F)c2)cc1C(=O)[O-] ZINC001597805916 989416806 /nfs/dbraw/zinc/41/68/06/989416806.db2.gz RJXVBYLMUPXHFS-UHFFFAOYSA-N -1 1 343.301 3.729 20 0 EHADMM CC(C)(NCc1cccc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC001590872306 990779016 /nfs/dbraw/zinc/77/90/16/990779016.db2.gz AMZMUHCSIIAVTC-UHFFFAOYSA-N -1 1 338.329 3.824 20 0 EHADMM COc1cccc2c(CN[C@H](C)c3ncc(C(=O)[O-])s3)cccc12 ZINC001599689170 991038306 /nfs/dbraw/zinc/03/83/06/991038306.db2.gz DOAGWFVHHNIYTA-LLVKDONJSA-N -1 1 342.420 3.854 20 0 EHADMM CCOc1ccc([C@H](NC(=O)c2cncc([O-])c2)c2ccccc2)cc1 ZINC000339833034 1015722998 /nfs/dbraw/zinc/72/29/98/1015722998.db2.gz DNAKNULHCLXADJ-HXUWFJFHSA-N -1 1 348.402 3.705 20 0 EHADMM COc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])c(C)c2)c(OC)c1 ZINC001599620414 994073452 /nfs/dbraw/zinc/07/34/52/994073452.db2.gz OXICSJNZYOOXQR-CYBMUJFWSA-N -1 1 329.396 3.561 20 0 EHADMM C[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cc(C(=O)[O-])co1 ZINC001593196678 994157044 /nfs/dbraw/zinc/15/70/44/994157044.db2.gz IETOSPWPUJPJCE-QWHCGFSZSA-N -1 1 342.395 3.516 20 0 EHADMM C[C@H](NCCCOc1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593267385 994589194 /nfs/dbraw/zinc/58/91/94/994589194.db2.gz PFKVOQMFHRPIRX-JTQLQIEISA-N -1 1 340.832 3.614 20 0 EHADMM C[C@H](NCc1cccc(Cl)c1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593303379 994734691 /nfs/dbraw/zinc/73/46/91/994734691.db2.gz BXUQTTPEGRVOKK-NSHDSACASA-N -1 1 337.778 3.793 20 0 EHADMM C[C@@](NCc1ccns1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593310113 994770568 /nfs/dbraw/zinc/77/05/68/994770568.db2.gz GOGGOVURUIGWFI-ZDUSSCGKSA-N -1 1 331.224 3.540 20 0 EHADMM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc([O-])cc3F)nc2c1 ZINC000154888593 1015910627 /nfs/dbraw/zinc/91/06/27/1015910627.db2.gz ZRQCSUMTNLSKFE-QGZVFWFLSA-N -1 1 339.370 3.693 20 0 EHADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc([O-])cc3F)[nH]c2c1 ZINC000154888593 1015910633 /nfs/dbraw/zinc/91/06/33/1015910633.db2.gz ZRQCSUMTNLSKFE-QGZVFWFLSA-N -1 1 339.370 3.693 20 0 EHADMM CC1(C)C[C@H](N(Cc2ccoc2C(=O)[O-])Cc2ccccc2)CO1 ZINC001593853254 996630781 /nfs/dbraw/zinc/63/07/81/996630781.db2.gz CEPJBTLXVZKKJI-INIZCTEOSA-N -1 1 329.396 3.548 20 0 EHADMM CC1(C)CN(CCOc2cccc(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC001593939419 996929317 /nfs/dbraw/zinc/92/93/17/996929317.db2.gz IFRXOUAQZGXKJN-INIZCTEOSA-N -1 1 331.437 3.908 20 0 EHADMM COC(=O)Nc1cccc(CNCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001598887676 996930016 /nfs/dbraw/zinc/93/00/16/996930016.db2.gz BARNJJUTEDYSGC-UHFFFAOYSA-N -1 1 348.786 3.506 20 0 EHADMM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCS1 ZINC001593941073 996956218 /nfs/dbraw/zinc/95/62/18/996956218.db2.gz VJXPCWWSTOTXGC-GFCCVEGCSA-N -1 1 334.268 3.947 20 0 EHADMM COCC[C@@H](NCc1cc(C(=O)[O-])c(C(C)C)[nH]1)c1ccc(C)o1 ZINC001599217523 997608493 /nfs/dbraw/zinc/60/84/93/997608493.db2.gz IRPSHVOAXHNVRU-OAHLLOKOSA-N -1 1 334.416 3.605 20 0 EHADMM COc1ccc(C2CCN([C@@H](C)c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001599538699 997793887 /nfs/dbraw/zinc/79/38/87/997793887.db2.gz 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CCc1nc(CNCc2cc3c(ccc(C)c3C)[nH]2)ccc1C(=O)[O-] ZINC000426651020 1022144220 /nfs/dbraw/zinc/14/42/20/1022144220.db2.gz JCOUTEGIVZTVDG-UHFFFAOYSA-N -1 1 337.423 3.730 20 0 EHADMM CCc1nc(CNCc2ccc(Cl)c(Cl)c2)ccc1C(=O)[O-] ZINC000426651139 1022148495 /nfs/dbraw/zinc/14/84/95/1022148495.db2.gz KHZHHASHQWAGMY-UHFFFAOYSA-N -1 1 339.222 3.939 20 0 EHADMM Cc1ccc(OCCCCNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000280798325 1022152377 /nfs/dbraw/zinc/15/23/77/1022152377.db2.gz PDKXDGVOXUYTCL-UHFFFAOYSA-N -1 1 335.350 3.568 20 0 EHADMM CC(C)C1CCN(Cn2c(Cc3cccs3)n[n-]c2=S)CC1 ZINC000172956372 1033047986 /nfs/dbraw/zinc/04/79/86/1033047986.db2.gz ZKWVUENACQEIBT-UHFFFAOYSA-N -1 1 336.530 3.918 20 0 EHADMM [O-]c1cc(Br)cnc1CNc1ccc([C@H]2CCOC2)cc1 ZINC000894634637 1022646108 /nfs/dbraw/zinc/64/61/08/1022646108.db2.gz MBXIIYRRTVRRAA-LBPRGKRZSA-N -1 1 349.228 3.666 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1F ZINC000188575499 1022828620 /nfs/dbraw/zinc/82/86/20/1022828620.db2.gz JUHGIOVPSAOFDY-UHFFFAOYSA-N -1 1 331.368 3.788 20 0 EHADMM O=C(Nc1ccc(F)cc1OCC(F)F)c1cc(F)ccc1[O-] ZINC000091106732 1022859839 /nfs/dbraw/zinc/85/98/39/1022859839.db2.gz JXXOXHDSJGUIRM-UHFFFAOYSA-N -1 1 329.249 3.567 20 0 EHADMM CCCN(C(=O)c1csc(=NC2CC2)[n-]1)[C@H]1CCc2ccccc21 ZINC000426138472 1022973192 /nfs/dbraw/zinc/97/31/92/1022973192.db2.gz IGHZCUXCWAUKJC-KRWDZBQOSA-N -1 1 341.480 3.679 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CCSC12CCCCC2 ZINC000614561378 1023032007 /nfs/dbraw/zinc/03/20/07/1023032007.db2.gz LTLFMVFGBORPLR-UHFFFAOYSA-N -1 1 328.437 3.790 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(Cl)c1Cl)c1ccc(O)cc1 ZINC000426775349 1023037278 /nfs/dbraw/zinc/03/72/78/1023037278.db2.gz AJWZQKQMQLUXAZ-CQSZACIVSA-N -1 1 326.179 3.615 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2)o1 ZINC000426785808 1023042551 /nfs/dbraw/zinc/04/25/51/1023042551.db2.gz ZEFQIUJXVBKQCT-ZDUSSCGKSA-N -1 1 327.302 3.912 20 0 EHADMM COc1cc(Cl)c(CN[C@H](C(=O)[O-])c2ccsc2)cc1Cl ZINC000426783780 1023043173 /nfs/dbraw/zinc/04/31/73/1023043173.db2.gz NPUFCIDKGMWDQS-ZDUSSCGKSA-N -1 1 346.235 3.979 20 0 EHADMM COc1c(Cl)cc(Cl)cc1CN[C@H](C(=O)[O-])c1ccsc1 ZINC000426791368 1023049890 /nfs/dbraw/zinc/04/98/90/1023049890.db2.gz IBZALPCCCOFFQK-LBPRGKRZSA-N -1 1 346.235 3.979 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(-c2ccncc2)c1)c1ccccc1F ZINC000426803693 1023058223 /nfs/dbraw/zinc/05/82/23/1023058223.db2.gz ONCOWCZIQNMZDF-LJQANCHMSA-N -1 1 336.366 3.803 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2coc3c2C(=O)CCC3)s1 ZINC000294712305 1023087041 /nfs/dbraw/zinc/08/70/41/1023087041.db2.gz ZSPASKQSFOQUFP-UHFFFAOYSA-N -1 1 333.413 3.806 20 0 EHADMM Cc1cccc(-c2ccc(CNC(=O)C(=O)c3ccc([O-])cc3)cc2)c1 ZINC000438911813 1023146554 /nfs/dbraw/zinc/14/65/54/1023146554.db2.gz MEHOQBHSEWQMEM-UHFFFAOYSA-N -1 1 345.398 3.867 20 0 EHADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1-c1ccc(Cl)cc1 ZINC000341854845 1023468929 /nfs/dbraw/zinc/46/89/29/1023468929.db2.gz TXSCDJKTTOUZSH-LLVKDONJSA-N -1 1 328.803 3.682 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C)c2Cl)c1 ZINC000754980486 1023638477 /nfs/dbraw/zinc/63/84/77/1023638477.db2.gz VBTGDEQLXNAFTA-UHFFFAOYSA-N -1 1 332.783 3.956 20 0 EHADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000511259903 1033161854 /nfs/dbraw/zinc/16/18/54/1033161854.db2.gz QVWKOWZLXNPCKM-UHFFFAOYSA-N -1 1 347.436 3.869 20 0 EHADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000096171055 1023813057 /nfs/dbraw/zinc/81/30/57/1023813057.db2.gz QPITYHSAHSNSFN-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM CCc1ncoc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC001269792897 1024079087 /nfs/dbraw/zinc/07/90/87/1024079087.db2.gz AAVLOSJDHOVZCW-UHFFFAOYSA-N -1 1 348.815 3.585 20 0 EHADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000033602858 1024082688 /nfs/dbraw/zinc/08/26/88/1024082688.db2.gz GGXFCAXRLRNOAA-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000094040805 1024164079 /nfs/dbraw/zinc/16/40/79/1024164079.db2.gz UFUHGUJWVMBHKL-CQSZACIVSA-N 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/nfs/dbraw/zinc/74/58/51/1024745851.db2.gz DPERHAITTNNTDA-LBPRGKRZSA-N -1 1 338.329 3.842 20 0 EHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000474315356 1024746774 /nfs/dbraw/zinc/74/67/74/1024746774.db2.gz WCKCGMZENCBFOW-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)c1C ZINC000427751549 1024765482 /nfs/dbraw/zinc/76/54/82/1024765482.db2.gz FUDDZYQYZGCUEH-UHFFFAOYSA-N -1 1 344.480 3.666 20 0 EHADMM Cc1cnc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c([O-])c1 ZINC000427763605 1024779750 /nfs/dbraw/zinc/77/97/50/1024779750.db2.gz KBLQIXXYLPLXHP-HNNXBMFYSA-N -1 1 332.350 3.741 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(Cl)c2)c1OC ZINC000277373431 1024797264 /nfs/dbraw/zinc/79/72/64/1024797264.db2.gz QLIUSUAVJJPMLX-OAHLLOKOSA-N -1 1 349.814 3.663 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1nc2ccccc2[nH]1 ZINC000327407000 1024827656 /nfs/dbraw/zinc/82/76/56/1024827656.db2.gz CZUUQROCUCSTRE-LBPRGKRZSA-N -1 1 331.375 3.913 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(Br)ccn1 ZINC000346729297 1025043394 /nfs/dbraw/zinc/04/33/94/1025043394.db2.gz NRNMFAAXAMMLFG-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000071977669 1025097712 /nfs/dbraw/zinc/09/77/12/1025097712.db2.gz LLAAZTMDUAHHAL-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)c3ccccc3F)[nH][n-]2)s1 ZINC000520919905 1025128035 /nfs/dbraw/zinc/12/80/35/1025128035.db2.gz ACKFAHYJOBMUFO-NSHDSACASA-N -1 1 329.400 3.750 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000444055083 1025210976 /nfs/dbraw/zinc/21/09/76/1025210976.db2.gz NGFRTNROPPBFQZ-UHFFFAOYSA-N -1 1 339.486 3.521 20 0 EHADMM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1c(F)ccc([O-])c1F ZINC000342403127 1025217056 /nfs/dbraw/zinc/21/70/56/1025217056.db2.gz PBSYUQUWJDUFAB-UHFFFAOYSA-N -1 1 330.290 3.941 20 0 EHADMM CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000896220160 1025242337 /nfs/dbraw/zinc/24/23/37/1025242337.db2.gz BJTSGFXNAFVTIA-CQSZACIVSA-N -1 1 347.390 3.681 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c(C)c1 ZINC000563247356 1025260301 /nfs/dbraw/zinc/26/03/01/1025260301.db2.gz OBBBPKXNXAQQAZ-UHFFFAOYSA-N -1 1 345.449 3.623 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1ccccc1Cl ZINC000515513754 1025310696 /nfs/dbraw/zinc/31/06/96/1025310696.db2.gz FHRYONBRGVVXIX-CYBMUJFWSA-N -1 1 349.761 3.922 20 0 EHADMM COc1cc(C(=O)NCc2cnc3ccccc3c2)cc(Cl)c1[O-] ZINC000442649741 1025409530 /nfs/dbraw/zinc/40/95/30/1025409530.db2.gz NYKXGFMNPTZSGS-UHFFFAOYSA-N -1 1 342.782 3.532 20 0 EHADMM CCn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C(F)(F)F)n1 ZINC000436144262 1025414877 /nfs/dbraw/zinc/41/48/77/1025414877.db2.gz ARLVUTKPTYJJAY-UHFFFAOYSA-N -1 1 333.697 3.533 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1F ZINC000515635037 1025428050 /nfs/dbraw/zinc/42/80/50/1025428050.db2.gz ZPETYJLBNXEWGL-UHFFFAOYSA-N -1 1 337.416 3.933 20 0 EHADMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)cc1C ZINC000436236662 1025501920 /nfs/dbraw/zinc/50/19/20/1025501920.db2.gz AVDPSRRUMPXWKB-LBPRGKRZSA-N -1 1 343.452 3.796 20 0 EHADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc2ncsc2c1 ZINC000442846858 1025518319 /nfs/dbraw/zinc/51/83/19/1025518319.db2.gz KLLOYVOLMZZSEJ-UHFFFAOYSA-N -1 1 330.390 3.843 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2cc(Br)ccc2[O-])s1 ZINC000102736218 1025544251 /nfs/dbraw/zinc/54/42/51/1025544251.db2.gz AFHZIAHRACNTLT-UHFFFAOYSA-N -1 1 340.242 3.797 20 0 EHADMM Cc1ccc(-c2nsc([N-]C(=O)c3conc3C(C)C)n2)s1 ZINC000530263138 1025545935 /nfs/dbraw/zinc/54/59/35/1025545935.db2.gz KVMKPJNODCFSGY-UHFFFAOYSA-N -1 1 334.426 3.939 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1OC ZINC000451103922 1025567153 /nfs/dbraw/zinc/56/71/53/1025567153.db2.gz CPULXTULQNZVFM-UHFFFAOYSA-N -1 1 341.379 3.996 20 0 EHADMM CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]2CCC[C@H]2O1 ZINC000442934886 1025598713 /nfs/dbraw/zinc/59/87/13/1025598713.db2.gz JEYUBSUTZNXTTQ-TZMCWYRMSA-N -1 1 343.345 3.583 20 0 EHADMM COc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc(Cl)c1[O-] ZINC000442965363 1025625654 /nfs/dbraw/zinc/62/56/54/1025625654.db2.gz IOEGHDZHBAQWJS-QFYYESIMSA-N -1 1 331.799 3.718 20 0 EHADMM COc1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc(Cl)c1[O-] ZINC000442965366 1025626348 /nfs/dbraw/zinc/62/63/48/1025626348.db2.gz IOEGHDZHBAQWJS-QLJPJBMISA-N -1 1 331.799 3.718 20 0 EHADMM COc1cc(C(=O)NCC2(Cc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000443061394 1025678436 /nfs/dbraw/zinc/67/84/36/1025678436.db2.gz RMWBWZNCNBUOBS-UHFFFAOYSA-N -1 1 345.826 3.807 20 0 EHADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2sccc2Cl)on1 ZINC000451243452 1025711759 /nfs/dbraw/zinc/71/17/59/1025711759.db2.gz BZJJJWWTEUPUNZ-UHFFFAOYSA-N -1 1 348.877 3.772 20 0 EHADMM COc1cc(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)cc(Cl)c1[O-] ZINC000443136291 1025753004 /nfs/dbraw/zinc/75/30/04/1025753004.db2.gz YZLFDGUSNSIBHF-CQSZACIVSA-N -1 1 345.826 3.992 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)CSc2ccccc2)c1 ZINC000436504812 1025795496 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CCSCC[C@@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436536379 1025846081 /nfs/dbraw/zinc/84/60/81/1025846081.db2.gz UYRZSKAOTZXDLY-SNVBAGLBSA-N -1 1 331.865 3.658 20 0 EHADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Br)cc1[O-] ZINC000436552064 1025859837 /nfs/dbraw/zinc/85/98/37/1025859837.db2.gz UEYFNTFNJPFDQG-JTNHKYCSSA-N -1 1 338.245 3.948 20 0 EHADMM COc1ccc(-c2csc(NC(=O)c3ccc([O-])cc3F)n2)cc1 ZINC000436595753 1025912775 /nfs/dbraw/zinc/91/27/75/1025912775.db2.gz NTZMPAAAUIHHTD-UHFFFAOYSA-N -1 1 344.367 3.916 20 0 EHADMM COCCN(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000436595558 1025914439 /nfs/dbraw/zinc/91/44/39/1025914439.db2.gz MTDZWIZLCTUFBS-RHSMWYFYSA-N -1 1 327.424 3.823 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC(c2nc3ccccc3s2)C1 ZINC000436582519 1025924565 /nfs/dbraw/zinc/92/45/65/1025924565.db2.gz IDJGBJVCLDZWTK-UHFFFAOYSA-N -1 1 344.823 3.895 20 0 EHADMM O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc2ccccc2c1[O-] ZINC000436589964 1025926557 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O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000055315303 1121813874 /nfs/dbraw/zinc/81/38/74/1121813874.db2.gz LTPIMZFFYHBYFG-UHFFFAOYSA-N -1 1 343.810 3.781 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC000055618994 1121853821 /nfs/dbraw/zinc/85/38/21/1121853821.db2.gz WEXCATXRVFDAPA-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)oc2c1C(=O)CCC2 ZINC000055977126 1121902295 /nfs/dbraw/zinc/90/22/95/1121902295.db2.gz RTLKVIPTJXKPHA-UHFFFAOYSA-N -1 1 333.413 3.508 20 0 EHADMM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1ccc(Cl)cn1 ZINC000916107747 1122051288 /nfs/dbraw/zinc/05/12/88/1122051288.db2.gz JQUNPJLQCQLQNT-FPLPWBNLSA-N -1 1 329.208 3.801 20 0 EHADMM CSc1nsc([N-]C(=O)c2cnc(Cc3ccccc3)s2)n1 ZINC000124565567 1122289319 /nfs/dbraw/zinc/28/93/19/1122289319.db2.gz QNRVHYJGLQJKHB-UHFFFAOYSA-N -1 1 348.478 3.560 20 0 EHADMM CC[C@@H](C)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(=O)OC ZINC000917467793 1122615371 /nfs/dbraw/zinc/61/53/71/1122615371.db2.gz GXBFNCQQNJVZQL-ABAIWWIYSA-N -1 1 346.452 3.837 20 0 EHADMM CCN(CC)C(=O)OCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000917467621 1122615959 /nfs/dbraw/zinc/61/59/59/1122615959.db2.gz FTECHJBOCGJNAG-UHFFFAOYSA-N -1 1 347.440 3.686 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cnc(N(C)C)c3ccccc23)n1 ZINC000917513477 1122623768 /nfs/dbraw/zinc/62/37/68/1122623768.db2.gz UFKCVIWMBIHRDK-UHFFFAOYSA-N -1 1 340.452 3.651 20 0 EHADMM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000917719845 1122667796 /nfs/dbraw/zinc/66/77/96/1122667796.db2.gz OFERVRIHZMZPHE-UHFFFAOYSA-N -1 1 347.436 3.786 20 0 EHADMM O=C([O-])c1ccc2c(c1)n[nH]c2-c1nc2c(cccc2F)n1C1CC1 ZINC000497839525 1122679450 /nfs/dbraw/zinc/67/94/50/1122679450.db2.gz NODWXZHXLQTZQE-UHFFFAOYSA-N -1 1 336.326 3.752 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(Cl)ccc1F ZINC000556346898 1122938577 /nfs/dbraw/zinc/93/85/77/1122938577.db2.gz BXMRKQWKZMOXFN-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000556378976 1122954697 /nfs/dbraw/zinc/95/46/97/1122954697.db2.gz QTOWHLLFYQRNPX-MRVPVSSYSA-N -1 1 347.761 3.879 20 0 EHADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000072846410 1123167300 /nfs/dbraw/zinc/16/73/00/1123167300.db2.gz OLMAPYBJSFNNLM-UHFFFAOYSA-N -1 1 344.842 3.918 20 0 EHADMM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000920048471 1123267654 /nfs/dbraw/zinc/26/76/54/1123267654.db2.gz BDXVSBICAYLOKF-ZFWWWQNUSA-N -1 1 341.455 3.505 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1cccc(C(F)(F)F)c1 ZINC000132895926 1123314365 /nfs/dbraw/zinc/31/43/65/1123314365.db2.gz LGLMEHGFZILMKD-UHFFFAOYSA-N -1 1 343.326 3.536 20 0 EHADMM O=C(Nc1nnc(-c2ccccn2)s1)c1cc2ccccc2cc1[O-] ZINC000079394467 1123692000 /nfs/dbraw/zinc/69/20/00/1123692000.db2.gz NJJQXABMNFEAMZ-UHFFFAOYSA-N -1 1 348.387 3.711 20 0 EHADMM O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(F)ccc1[O-] ZINC000080002386 1123733245 /nfs/dbraw/zinc/73/32/45/1123733245.db2.gz MVJDQOYTXDPTSS-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1cccc(Cl)c1 ZINC000615252563 1123767377 /nfs/dbraw/zinc/76/73/77/1123767377.db2.gz ZGSSUZCEFGANRD-CYBMUJFWSA-N -1 1 349.761 3.922 20 0 EHADMM Cc1ccc(C)c(OC2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000081945514 1123932579 /nfs/dbraw/zinc/93/25/79/1123932579.db2.gz WVQYFIDQSOAJDF-UHFFFAOYSA-N -1 1 343.398 3.832 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000068768043 1124022254 /nfs/dbraw/zinc/02/22/54/1124022254.db2.gz YJZYHNRFZPEOCV-JTNHKYCSSA-N -1 1 330.211 3.671 20 0 EHADMM CC(C)CCc1nnc([N-]C(=O)c2snnc2C(C)(C)C)s1 ZINC000617094113 1124082640 /nfs/dbraw/zinc/08/26/40/1124082640.db2.gz FDVQYLOQKDCBAA-UHFFFAOYSA-N -1 1 339.490 3.528 20 0 EHADMM CC(C)CCc1nnc([N-]C(=O)c2c(F)cc(F)cc2F)s1 ZINC000617096308 1124084059 /nfs/dbraw/zinc/08/40/59/1124084059.db2.gz PRYCVDJHERNCAG-UHFFFAOYSA-N -1 1 329.347 3.796 20 0 EHADMM Cc1ccc([C@@H]2CCCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000825172688 1131255493 /nfs/dbraw/zinc/25/54/93/1131255493.db2.gz HUGFPORSIHTTPS-KRWDZBQOSA-N -1 1 337.423 3.735 20 0 EHADMM Cc1cc(C)cc(OCCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000617366197 1124499709 /nfs/dbraw/zinc/49/97/09/1124499709.db2.gz WBRDNOUTACMKSR-UHFFFAOYSA-N -1 1 341.436 3.585 20 0 EHADMM C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1ncccc1[O-] ZINC000617516105 1124620760 /nfs/dbraw/zinc/62/07/60/1124620760.db2.gz SORSQCVARBZLPU-SFHVURJKSA-N -1 1 330.815 3.678 20 0 EHADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc12 ZINC000093909516 1125323127 /nfs/dbraw/zinc/32/31/27/1125323127.db2.gz SKEPAJCQVMKBNH-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM COc1ccc(N[C@H](C)c2sccc2C)cc1[N-]S(C)(=O)=O ZINC000182732447 1125358068 /nfs/dbraw/zinc/35/80/68/1125358068.db2.gz QQFFBGIXJVXUBL-LLVKDONJSA-N -1 1 340.470 3.610 20 0 EHADMM COc1ccc(N[C@@H](C)c2sccc2C)cc1[N-]S(C)(=O)=O ZINC000182732462 1125358141 /nfs/dbraw/zinc/35/81/41/1125358141.db2.gz QQFFBGIXJVXUBL-NSHDSACASA-N -1 1 340.470 3.610 20 0 EHADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582507 1125367854 /nfs/dbraw/zinc/36/78/54/1125367854.db2.gz WKHAVBFZWBOPLE-DGCLKSJQSA-N -1 1 333.375 3.815 20 0 EHADMM CCN1CCc2ccc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)cc21 ZINC000682379071 1129213080 /nfs/dbraw/zinc/21/30/80/1129213080.db2.gz UWNMCVSPAMOMEF-UHFFFAOYSA-N -1 1 346.814 3.689 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC(Cc2cccc(F)c2F)CC1 ZINC001299273858 1129407621 /nfs/dbraw/zinc/40/76/21/1129407621.db2.gz WVNVVCRIMURELH-UHFFFAOYSA-N -1 1 349.352 3.904 20 0 EHADMM Cc1ccccc1-c1nc(C[N-]c2nc(-c3ccccc3)no2)no1 ZINC000673444575 1129418069 /nfs/dbraw/zinc/41/80/69/1129418069.db2.gz ODJAQARVKFUTFN-UHFFFAOYSA-N -1 1 333.351 3.707 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H](C)C2CC2)cc1 ZINC000073786965 1129719522 /nfs/dbraw/zinc/71/95/22/1129719522.db2.gz MYFVTFDPJCAGQH-ZDUSSCGKSA-N -1 1 344.484 3.563 20 0 EHADMM COc1ccc(Cl)cc1NCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000509159463 1129872120 /nfs/dbraw/zinc/87/21/20/1129872120.db2.gz WZAOINUOSADXKE-UHFFFAOYSA-N -1 1 341.194 3.758 20 0 EHADMM O=S(=O)([N-]CC1(C(F)(F)F)CCCC1)c1ccc(Cl)s1 ZINC000625620335 1129957442 /nfs/dbraw/zinc/95/74/42/1129957442.db2.gz KDBRGGMMGXEWEC-UHFFFAOYSA-N -1 1 347.811 3.803 20 0 EHADMM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(F)c([O-])c1 ZINC001626096071 1129971888 /nfs/dbraw/zinc/97/18/88/1129971888.db2.gz OQHFWTDSXJFGIX-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM Cc1ccc(Nc2nc(CN3CCC[C@@H](CC(=O)[O-])C3)cs2)cc1 ZINC000676234317 1130549314 /nfs/dbraw/zinc/54/93/14/1130549314.db2.gz ZGFLPHFRNYMBND-AWEZNQCLSA-N -1 1 345.468 3.882 20 0 EHADMM CC(C)(C)c1nc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])no1 ZINC000730361790 1130702944 /nfs/dbraw/zinc/70/29/44/1130702944.db2.gz HGLYHQIKQTURMG-UHFFFAOYSA-N -1 1 345.182 3.737 20 0 EHADMM COc1cc(Cl)ccc1CNC(=O)c1c([O-])cccc1Cl ZINC000730843134 1130743391 /nfs/dbraw/zinc/74/33/91/1130743391.db2.gz MJLVWCCOTMESGM-UHFFFAOYSA-N -1 1 326.179 3.638 20 0 EHADMM O=C(OCc1noc2c1CCCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000731248426 1130781663 /nfs/dbraw/zinc/78/16/63/1130781663.db2.gz NYVWMQWLEKJWOL-UHFFFAOYSA-N -1 1 342.178 3.923 20 0 EHADMM CC(C)c1ocnc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000731991683 1130877101 /nfs/dbraw/zinc/87/71/01/1130877101.db2.gz SSTPTJOZDANDOG-UHFFFAOYSA-N -1 1 346.387 3.632 20 0 EHADMM O=c1cc(CN2CCc3c(Cl)cccc3C2)c2ccc([O-])cc2o1 ZINC000739917621 1131517179 /nfs/dbraw/zinc/51/71/79/1131517179.db2.gz ACGBKMPIAIHARG-UHFFFAOYSA-N -1 1 341.794 3.710 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3ccc4cnccc4c3)no2)[n-]1 ZINC001212689363 1131900386 /nfs/dbraw/zinc/90/03/86/1131900386.db2.gz AMBIIIYUYZNIAK-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccc4cnccc4c3)no2)n1 ZINC001212689363 1131900390 /nfs/dbraw/zinc/90/03/90/1131900390.db2.gz AMBIIIYUYZNIAK-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM CCc1cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)ccc1F ZINC001212690130 1131901563 /nfs/dbraw/zinc/90/15/63/1131901563.db2.gz ZDMHKJIBPDZJNK-UHFFFAOYSA-N -1 1 326.253 3.847 20 0 EHADMM CCc1cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)ccc1F ZINC001212690130 1131901570 /nfs/dbraw/zinc/90/15/70/1131901570.db2.gz ZDMHKJIBPDZJNK-UHFFFAOYSA-N -1 1 326.253 3.847 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CSc2ccccc2C)c1 ZINC000744456672 1132102969 /nfs/dbraw/zinc/10/29/69/1132102969.db2.gz ZUVBUIBKADSYGW-UHFFFAOYSA-N -1 1 344.432 3.781 20 0 EHADMM COc1ccc(Cl)cc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744454514 1132103419 /nfs/dbraw/zinc/10/34/19/1132103419.db2.gz AHCDEBPMFIKDHT-UHFFFAOYSA-N -1 1 348.782 3.656 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3c(s2)CCC3)c1 ZINC000744454559 1132103459 /nfs/dbraw/zinc/10/34/59/1132103459.db2.gz CDEQPSITABTGFC-UHFFFAOYSA-N -1 1 330.405 3.545 20 0 EHADMM CC(C)=C[C@@H]1[C@@H](C(=O)OCCc2cc(C(C)=O)ccc2[O-])C1(C)C ZINC000744529515 1132117533 /nfs/dbraw/zinc/11/75/33/1132117533.db2.gz CSJMSEAKMUEJLV-AEFFLSMTSA-N -1 1 330.424 3.919 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000744532921 1132118469 /nfs/dbraw/zinc/11/84/69/1132118469.db2.gz FHETXGZEGPBERB-QZTJIDSGSA-N -1 1 342.366 3.623 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000744587263 1132123037 /nfs/dbraw/zinc/12/30/37/1132123037.db2.gz JUBDZBZWDMGYIU-UHFFFAOYSA-N -1 1 349.386 3.785 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000744659728 1132133121 /nfs/dbraw/zinc/13/31/21/1132133121.db2.gz QHQMHZSEMCPOMS-LJQANCHMSA-N -1 1 338.403 3.801 20 0 EHADMM COC(=O)[N-]C(=S)N(c1cc(C)cc(C)c1)c1ccccc1N ZINC001173828810 1132161591 /nfs/dbraw/zinc/16/15/91/1132161591.db2.gz QADGBNICTDBCNM-UHFFFAOYSA-N -1 1 329.425 3.665 20 0 EHADMM CC(=O)Nc1ccccc1Nc1ccc(F)c(Br)c1[O-] ZINC001173995812 1132198865 /nfs/dbraw/zinc/19/88/65/1132198865.db2.gz MRRVKYVLSIHLSC-UHFFFAOYSA-N -1 1 339.164 3.996 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(F)(F)F)cc2)c1 ZINC001174772705 1132461436 /nfs/dbraw/zinc/46/14/36/1132461436.db2.gz CMXSINHMAOAKRZ-UHFFFAOYSA-N -1 1 345.342 3.948 20 0 EHADMM CCCCOc1ccccc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001175001392 1132526606 /nfs/dbraw/zinc/52/66/06/1132526606.db2.gz AKQOHWSEOYVJFX-UHFFFAOYSA-N -1 1 335.425 3.718 20 0 EHADMM Cc1ccc(C(C)(C)C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001168913460 1132604088 /nfs/dbraw/zinc/60/40/88/1132604088.db2.gz BREHCTBAVDQWGZ-UHFFFAOYSA-N -1 1 335.407 3.803 20 0 EHADMM Nc1ncc(Nc2cc(Cl)cc(Cl)c2[O-])c(C(F)(F)F)n1 ZINC001175678024 1132736937 /nfs/dbraw/zinc/73/69/37/1132736937.db2.gz TVKSIDNLYXTILF-UHFFFAOYSA-N -1 1 339.104 3.834 20 0 EHADMM CC(C)c1cccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])c1 ZINC001175779308 1132764013 /nfs/dbraw/zinc/76/40/13/1132764013.db2.gz SKBJFJSEEWZLLJ-UHFFFAOYSA-N -1 1 334.397 3.526 20 0 EHADMM CC(C)(C)c1ccc(OCCCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766773393 1132809003 /nfs/dbraw/zinc/80/90/03/1132809003.db2.gz FBBLRRGYXYRAFA-UHFFFAOYSA-N -1 1 333.350 3.753 20 0 EHADMM O=C(CCCOc1cccc2ccccc21)[N-]OCC(F)(F)F ZINC000766775453 1132809806 /nfs/dbraw/zinc/80/98/06/1132809806.db2.gz VTQHPUWIMHTQQS-UHFFFAOYSA-N -1 1 327.302 3.609 20 0 EHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1nc(-c2cccs2)no1 ZINC000773568238 1132914036 /nfs/dbraw/zinc/91/40/36/1132914036.db2.gz FIQQHTHZAJNYRL-QMMMGPOBSA-N -1 1 334.328 3.561 20 0 EHADMM Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccc([O-])cc1F ZINC000773575345 1132920390 /nfs/dbraw/zinc/92/03/90/1132920390.db2.gz YAGHHGQWXUKHTD-UHFFFAOYSA-N -1 1 345.370 3.724 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2cccnc2OC2CCOCC2)c1F ZINC001176664157 1132978919 /nfs/dbraw/zinc/97/89/19/1132978919.db2.gz MGZGJYDVCNSIHV-UHFFFAOYSA-N -1 1 340.301 3.506 20 0 EHADMM CCOC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)c(OC)c1 ZINC001176671186 1132979336 /nfs/dbraw/zinc/97/93/36/1132979336.db2.gz UMIKHIDXBDVHAG-UHFFFAOYSA-N -1 1 341.285 3.738 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(-c2cccc(F)c2)no1 ZINC001176989191 1133020046 /nfs/dbraw/zinc/02/00/46/1133020046.db2.gz ZWXUIZSSSFDVIX-UHFFFAOYSA-N -1 1 346.745 3.770 20 0 EHADMM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1ccc([O-])c(F)c1 ZINC000767980991 1133077073 /nfs/dbraw/zinc/07/70/73/1133077073.db2.gz FQQSKWVWHKPDNN-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000767965683 1133078202 /nfs/dbraw/zinc/07/82/02/1133078202.db2.gz JHRJUTTYKFFRGV-INIZCTEOSA-N -1 1 331.362 3.908 20 0 EHADMM C[C@@]1(NC(=O)c2ccc3ccccc3c2[O-])CCOc2ccccc21 ZINC001178745935 1133194624 /nfs/dbraw/zinc/19/46/24/1133194624.db2.gz ZGIPQCWXEQGCMO-OAQYLSRUSA-N -1 1 333.387 3.973 20 0 EHADMM Cc1cccc(NC(=O)C2=C([O-])C(C)N=N2)c1OCc1ccccc1 ZINC001178980579 1133214677 /nfs/dbraw/zinc/21/46/77/1133214677.db2.gz PKOUSKFPNOYJEI-UHFFFAOYSA-N -1 1 337.379 3.563 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)C2C(C)(C)C2(C)C)c1 ZINC001179694571 1133271665 /nfs/dbraw/zinc/27/16/65/1133271665.db2.gz RSYZHXKTNSJBAE-UHFFFAOYSA-N -1 1 342.233 3.784 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000769647658 1133326143 /nfs/dbraw/zinc/32/61/43/1133326143.db2.gz KPPWXXXBZYBFHZ-JTQLQIEISA-N -1 1 337.753 3.954 20 0 EHADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000769711785 1133333447 /nfs/dbraw/zinc/33/34/47/1133333447.db2.gz OYDRKXZIAPANDF-CYBMUJFWSA-N -1 1 347.798 3.698 20 0 EHADMM CC(C)COC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccco1 ZINC000769748838 1133342426 /nfs/dbraw/zinc/34/24/26/1133342426.db2.gz VAULLVXQTNAINO-CYBMUJFWSA-N -1 1 337.803 3.782 20 0 EHADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@H](c2ccccc2)CO1 ZINC000769924701 1133368024 /nfs/dbraw/zinc/36/80/24/1133368024.db2.gz AXZILHXGYXMLFP-WFASDCNBSA-N -1 1 331.799 3.648 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000770000615 1133376586 /nfs/dbraw/zinc/37/65/86/1133376586.db2.gz BHKKENRJPNZRIW-PBHICJAKSA-N -1 1 347.386 3.633 20 0 EHADMM CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000798279030 1133391233 /nfs/dbraw/zinc/39/12/33/1133391233.db2.gz AJJJZRXEHGUOTM-UHFFFAOYSA-N -1 1 344.720 3.732 20 0 EHADMM O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001180589560 1133396666 /nfs/dbraw/zinc/39/66/66/1133396666.db2.gz PDOMLMKWLZMUHE-UHFFFAOYSA-N -1 1 349.312 3.859 20 0 EHADMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc2c1O[C@H](C)C2 ZINC000771213830 1133528463 /nfs/dbraw/zinc/52/84/63/1133528463.db2.gz WLVGOZVDRVNHSB-SECBINFHSA-N -1 1 342.326 3.580 20 0 EHADMM Nc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(F)c2)cc1Cl ZINC000151901832 1133544969 /nfs/dbraw/zinc/54/49/69/1133544969.db2.gz SPVADHRNBIHJKF-UHFFFAOYSA-N -1 1 335.187 3.516 20 0 EHADMM CC(C)CCc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)[nH]n1 ZINC000786896656 1133917952 /nfs/dbraw/zinc/91/79/52/1133917952.db2.gz LBIZQQUTFZHFFI-UHFFFAOYSA-N -1 1 343.399 3.737 20 0 EHADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1 ZINC000786881695 1133923453 /nfs/dbraw/zinc/92/34/53/1133923453.db2.gz XITJLLSCVNDFFK-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Nc2cccc(Cl)c2C)c1 ZINC001184680010 1133981274 /nfs/dbraw/zinc/98/12/74/1133981274.db2.gz MPNGSZQHGFPYDS-UHFFFAOYSA-N -1 1 334.759 3.785 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)C12CCC(F)(CC1)CC2 ZINC001185522241 1134102240 /nfs/dbraw/zinc/10/22/40/1134102240.db2.gz LGUCIFUABOMCFI-UHFFFAOYSA-N -1 1 329.375 3.579 20 0 EHADMM COc1cc(C(=O)NCCCOc2cccc(C)c2)cc(Cl)c1[O-] ZINC000788371672 1134118557 /nfs/dbraw/zinc/11/85/57/1134118557.db2.gz SEDOZMSFLFOLAB-UHFFFAOYSA-N -1 1 349.814 3.562 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1Cc2nc(-c3ccccc3)sc2C1 ZINC001186226973 1134183159 /nfs/dbraw/zinc/18/31/59/1134183159.db2.gz WWCFQMGVJCUNPZ-UHFFFAOYSA-N -1 1 340.379 3.811 20 0 EHADMM COC(=O)c1cc2cccc(NC(=O)c3ccc([O-])c(F)c3)c2s1 ZINC001186225456 1134183487 /nfs/dbraw/zinc/18/34/87/1134183487.db2.gz FNVRKVSNLUBEGM-UHFFFAOYSA-N -1 1 345.351 3.785 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Cc2ccccc2)cc1 ZINC001186534591 1134230143 /nfs/dbraw/zinc/23/01/43/1134230143.db2.gz LVSUFGPIGOSDDG-UHFFFAOYSA-N -1 1 346.312 3.667 20 0 EHADMM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC001186696578 1134245726 /nfs/dbraw/zinc/24/57/26/1134245726.db2.gz GYLPTHOTSXKACH-WDEREUQCSA-N -1 1 335.391 3.597 20 0 EHADMM CCc1c(C(=O)Nc2nc(Cl)ccc2[O-])cnn1C(CC)CC ZINC000790052357 1134365453 /nfs/dbraw/zinc/36/54/53/1134365453.db2.gz VJWFVCRIZXZFQF-UHFFFAOYSA-N -1 1 336.823 3.813 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccccc1N1CCCCC1 ZINC000790051748 1134365973 /nfs/dbraw/zinc/36/59/73/1134365973.db2.gz UFAOEAHTRNMBML-UHFFFAOYSA-N -1 1 331.803 3.683 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(Br)c(F)c1 ZINC000790064376 1134367697 /nfs/dbraw/zinc/36/76/97/1134367697.db2.gz XRAHFJAJTYDXLA-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1C(C)C ZINC001187981001 1134407601 /nfs/dbraw/zinc/40/76/01/1134407601.db2.gz ULAAXFGALLIILA-UHFFFAOYSA-N -1 1 346.452 3.824 20 0 EHADMM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001188033258 1134420064 /nfs/dbraw/zinc/42/00/64/1134420064.db2.gz AVAIBTLMMKKUMI-AWEZNQCLSA-N -1 1 325.405 3.819 20 0 EHADMM CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)[N-]C3(C)CC3)c2o1 ZINC001188167592 1134435507 /nfs/dbraw/zinc/43/55/07/1134435507.db2.gz MRJHAUNKMWPXAF-UHFFFAOYSA-N -1 1 342.848 3.610 20 0 EHADMM CSc1nc(NC(=O)Nc2cc(Cl)ccc2Cl)cc(=O)[n-]1 ZINC001188969332 1134526810 /nfs/dbraw/zinc/52/68/10/1134526810.db2.gz XEMZJGBZGXLSGP-UHFFFAOYSA-N -1 1 345.211 3.855 20 0 EHADMM CCOc1ccccc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189102968 1134544993 /nfs/dbraw/zinc/54/49/93/1134544993.db2.gz BETAOKSCDOSYBJ-UHFFFAOYSA-N -1 1 339.844 3.723 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189348385 1134579135 /nfs/dbraw/zinc/57/91/35/1134579135.db2.gz PIZHOCXVKZLIGL-UHFFFAOYSA-N -1 1 343.379 3.982 20 0 EHADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)c1sccc1Cl ZINC001189476752 1134588004 /nfs/dbraw/zinc/58/80/04/1134588004.db2.gz QENHGMOBCDVKFY-UHFFFAOYSA-N -1 1 336.772 3.810 20 0 EHADMM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc(Cl)ccc1F ZINC001189455018 1134590006 /nfs/dbraw/zinc/59/00/06/1134590006.db2.gz WYUMDIDCBUIAGH-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM O=S(=O)([N-]CCCc1ccccc1F)c1cc(Cl)ccc1F ZINC001189897433 1134636910 /nfs/dbraw/zinc/63/69/10/1134636910.db2.gz UMYHXRHNWAWHAO-UHFFFAOYSA-N -1 1 345.798 3.529 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2ccc3c(C)ccnc3c2)c(OC)c1 ZINC001190138922 1134659709 /nfs/dbraw/zinc/65/97/09/1134659709.db2.gz ZWZLSDREJPIVCD-UHFFFAOYSA-N -1 1 338.363 3.518 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(Cl)c1 ZINC001190347705 1134686419 /nfs/dbraw/zinc/68/64/19/1134686419.db2.gz GZPUXNLSNAYUEI-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)c2nccn2c1)c1ccc(C2CC2)cc1 ZINC001190471314 1134706071 /nfs/dbraw/zinc/70/60/71/1134706071.db2.gz CBMYDPLUOSYNIA-UHFFFAOYSA-N -1 1 347.827 3.666 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc2snnc21 ZINC001190506938 1134708203 /nfs/dbraw/zinc/70/82/03/1134708203.db2.gz ONELYKVLNXKAMQ-UHFFFAOYSA-N -1 1 345.449 3.678 20 0 EHADMM COc1cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc(Cl)c1[O-] ZINC001191155248 1134803353 /nfs/dbraw/zinc/80/33/53/1134803353.db2.gz DJILLOWPVFYPIM-JQWIXIFHSA-N -1 1 325.836 3.999 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2CO)cc1 ZINC001191253801 1134825147 /nfs/dbraw/zinc/82/51/47/1134825147.db2.gz OJKPCBUDZTZHAT-UHFFFAOYSA-N -1 1 333.453 3.631 20 0 EHADMM O=S(=O)(CC1CCCC1)[N-]c1ccccc1Oc1cccnc1 ZINC001191524188 1134879386 /nfs/dbraw/zinc/87/93/86/1134879386.db2.gz WQOALVCRUJHAIO-UHFFFAOYSA-N -1 1 332.425 3.806 20 0 EHADMM CC[C@@H](C)CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001192295307 1134995687 /nfs/dbraw/zinc/99/56/87/1134995687.db2.gz WDQLDMVWZFQSFQ-MRVPVSSYSA-N -1 1 328.236 3.847 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cncc(C(F)(F)F)n2)c([O-])c1 ZINC001192313365 1134996864 /nfs/dbraw/zinc/99/68/64/1134996864.db2.gz CKQIZDLZCOOEIL-UHFFFAOYSA-N -1 1 339.317 3.751 20 0 EHADMM Cc1cc2ncc(C)c(NC(=O)c3ccc(C(C)(C)C)cc3[O-])n2n1 ZINC001192314396 1134998390 /nfs/dbraw/zinc/99/83/90/1134998390.db2.gz OOYLFLRCEZORHC-UHFFFAOYSA-N -1 1 338.411 3.602 20 0 EHADMM CC(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])cc1 ZINC001192322927 1134999739 /nfs/dbraw/zinc/99/97/39/1134999739.db2.gz SNCGBKBEBBHVRX-UHFFFAOYSA-N -1 1 327.380 3.867 20 0 EHADMM CCc1onc(-c2ccccc2)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000793939031 1135009878 /nfs/dbraw/zinc/00/98/78/1135009878.db2.gz BOTBTLNFLYDMEK-UHFFFAOYSA-N -1 1 343.770 3.910 20 0 EHADMM CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1sccc1Cl ZINC001192416715 1135011444 /nfs/dbraw/zinc/01/14/44/1135011444.db2.gz XDTDCPPHGJPDFV-GFCCVEGCSA-N -1 1 347.864 3.840 20 0 EHADMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC001192552684 1135028260 /nfs/dbraw/zinc/02/82/60/1135028260.db2.gz QVLGXZLLEXJPAA-CFNLKKDLSA-N -1 1 343.373 3.983 20 0 EHADMM O=C(Nc1nc2ccccc2nc1Cl)c1cc([O-])cc(F)c1F ZINC001192651943 1135039601 /nfs/dbraw/zinc/03/96/01/1135039601.db2.gz QKCZZAJJQICCJR-UHFFFAOYSA-N -1 1 335.697 3.519 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cc(O)cc(F)c1F ZINC001192670949 1135043572 /nfs/dbraw/zinc/04/35/72/1135043572.db2.gz RMNBEHBIHFJNJJ-UHFFFAOYSA-N -1 1 333.212 3.647 20 0 EHADMM CC1(C)CC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC001192809366 1135056698 /nfs/dbraw/zinc/05/66/98/1135056698.db2.gz KAOOEEDKCCXIOV-UHFFFAOYSA-N -1 1 326.220 3.599 20 0 EHADMM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccc(O)c(F)c1F ZINC001192839837 1135063653 /nfs/dbraw/zinc/06/36/53/1135063653.db2.gz NGYOXOQIXHGFRP-UHFFFAOYSA-N -1 1 338.360 3.821 20 0 EHADMM COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193467781 1135140861 /nfs/dbraw/zinc/14/08/61/1135140861.db2.gz IXGQNLSKVCOJDP-UHFFFAOYSA-N -1 1 331.437 3.904 20 0 EHADMM CC(C)(CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(F)cc1 ZINC001129758404 1135151789 /nfs/dbraw/zinc/15/17/89/1135151789.db2.gz CHPDHKNNQMWLEE-UHFFFAOYSA-N -1 1 343.402 3.507 20 0 EHADMM C[C@H](O)c1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000804804886 1135197098 /nfs/dbraw/zinc/19/70/98/1135197098.db2.gz ZWRLRQMSNIMRAD-NSHDSACASA-N -1 1 325.339 3.990 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc2ccc(F)cc2c1 ZINC001194609696 1135286171 /nfs/dbraw/zinc/28/61/71/1135286171.db2.gz GAECKLYAVHLKRP-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccnc2ccc(Cl)cc12 ZINC001194605144 1135292387 /nfs/dbraw/zinc/29/23/87/1135292387.db2.gz LKCDPSYIRSHYQY-UHFFFAOYSA-N -1 1 346.839 3.728 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3c2cc[nH]c3=O)c1 ZINC001195156056 1135383310 /nfs/dbraw/zinc/38/33/10/1135383310.db2.gz FFHYUVTUBISTQX-UHFFFAOYSA-N -1 1 342.420 3.865 20 0 EHADMM CCn1cc2cc([N-]S(=O)(=O)c3cccc(C(C)C)c3)ccc2n1 ZINC001195156446 1135383832 /nfs/dbraw/zinc/38/38/32/1135383832.db2.gz MRSFEYPBRLYPJO-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc2snnc21 ZINC001195159314 1135384462 /nfs/dbraw/zinc/38/44/62/1135384462.db2.gz NIUSBWJUGIKWTL-UHFFFAOYSA-N -1 1 347.465 3.924 20 0 EHADMM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1cc([O-])cnc1Cl ZINC001195308344 1135410830 /nfs/dbraw/zinc/41/08/30/1135410830.db2.gz BXQUDTKWNOJPOR-OAHLLOKOSA-N -1 1 346.814 3.564 20 0 EHADMM O=C(Nc1ccc(-c2cccnc2)cc1)c1cc([O-])cnc1Cl ZINC001195308875 1135411134 /nfs/dbraw/zinc/41/11/34/1135411134.db2.gz KXMOTZOFNCGAFT-UHFFFAOYSA-N -1 1 325.755 3.755 20 0 EHADMM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc([O-])cnc1Cl ZINC001195309910 1135411955 /nfs/dbraw/zinc/41/19/55/1135411955.db2.gz WUYKFZFLTVCCBW-UHFFFAOYSA-N -1 1 349.120 3.948 20 0 EHADMM O=S(=O)([N-]c1ccccc1-c1ccccc1F)c1ccc(O)cc1 ZINC001195794927 1135470657 /nfs/dbraw/zinc/47/06/57/1135470657.db2.gz OUBWWVGPGBVKDU-UHFFFAOYSA-N -1 1 343.379 3.999 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000747359730 1135494794 /nfs/dbraw/zinc/49/47/94/1135494794.db2.gz UMFWIXMOCDWXFP-UHFFFAOYSA-N -1 1 343.471 3.511 20 0 EHADMM O=C([N-]c1cc(-c2ccccn2)no1)c1snc(Cl)c1Cl ZINC001196334643 1135548062 /nfs/dbraw/zinc/54/80/62/1135548062.db2.gz YUJRUUONFRXCNV-UHFFFAOYSA-N -1 1 341.179 3.752 20 0 EHADMM [O-]c1cc(Cl)cnc1NC(=S)NCc1ccccc1Cl ZINC001196801455 1135612274 /nfs/dbraw/zinc/61/22/74/1135612274.db2.gz DJWWIDOEIWWPGK-UHFFFAOYSA-N -1 1 328.224 3.581 20 0 EHADMM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]C1(C(F)F)CCCC1 ZINC000808346476 1135652035 /nfs/dbraw/zinc/65/20/35/1135652035.db2.gz BDZAKDDWJDVYBP-RMKNXTFCSA-N -1 1 335.803 3.808 20 0 EHADMM Cc1ccc(O)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197528856 1135699054 /nfs/dbraw/zinc/69/90/54/1135699054.db2.gz CLKOGKLPOCLIFT-UHFFFAOYSA-N -1 1 346.235 3.949 20 0 EHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198154344 1135780000 /nfs/dbraw/zinc/78/00/00/1135780000.db2.gz UEOOXKNQKFLTGO-UHFFFAOYSA-N -1 1 341.436 3.555 20 0 EHADMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ncccc1N(C)C ZINC001198220578 1135786361 /nfs/dbraw/zinc/78/63/61/1135786361.db2.gz AXIBDEVDRGVONM-UHFFFAOYSA-N -1 1 348.497 3.547 20 0 EHADMM CCOC(=O)Oc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000809470983 1135839590 /nfs/dbraw/zinc/83/95/90/1135839590.db2.gz MUKFRRSFYRJJKK-UHFFFAOYSA-N -1 1 344.298 3.784 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3ccccc3)cnc2F)o1 ZINC001199728045 1135923767 /nfs/dbraw/zinc/92/37/67/1135923767.db2.gz PHRIUSAIGQHMDK-UHFFFAOYSA-N -1 1 340.358 3.821 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000747599949 1135942204 /nfs/dbraw/zinc/94/22/04/1135942204.db2.gz BQXVJOVBYDEGPP-UHFFFAOYSA-N -1 1 349.214 3.824 20 0 EHADMM O=c1oc2cc([O-])ccc2cc1NC(=S)Nc1cccc(Cl)c1 ZINC001201096578 1135982986 /nfs/dbraw/zinc/98/29/86/1135982986.db2.gz OEACXEHGTYUVGK-UHFFFAOYSA-N -1 1 346.795 3.961 20 0 EHADMM O=S(=O)([N-]Cc1ccsc1)c1cc(Cl)c(Cl)cc1F ZINC001201244857 1135998648 /nfs/dbraw/zinc/99/86/48/1135998648.db2.gz YVDCCGXGJFCGIM-UHFFFAOYSA-N -1 1 340.228 3.673 20 0 EHADMM CC1(C)CC([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)C1 ZINC001201279401 1136000186 /nfs/dbraw/zinc/00/01/86/1136000186.db2.gz KCSKEPMPTCEJPS-UHFFFAOYSA-N -1 1 326.220 3.599 20 0 EHADMM Cc1ccc(CCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000811256590 1136063266 /nfs/dbraw/zinc/06/32/66/1136063266.db2.gz RGWILHYQWZXWFC-UHFFFAOYSA-N -1 1 344.388 3.545 20 0 EHADMM COc1cccc(C2(CNC(=O)c3c([O-])cccc3Cl)CC2)c1 ZINC000811585732 1136108258 /nfs/dbraw/zinc/10/82/58/1136108258.db2.gz SZTIIYTUHLIWQD-UHFFFAOYSA-N -1 1 331.799 3.516 20 0 EHADMM CSc1nc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC001202290449 1136123834 /nfs/dbraw/zinc/12/38/34/1136123834.db2.gz QRQKIMDQAGRZJV-UHFFFAOYSA-N -1 1 344.318 3.567 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1 ZINC000811836042 1136143106 /nfs/dbraw/zinc/14/31/06/1136143106.db2.gz AYPWITQZJKYPMK-UHFFFAOYSA-N -1 1 340.832 3.633 20 0 EHADMM C[C@@H]1CC[C@](C)(/C=C/C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1(C)C ZINC001133907016 1136358930 /nfs/dbraw/zinc/35/89/30/1136358930.db2.gz KHQLRMXYXRNWMI-HJOOIJHASA-N -1 1 330.354 3.781 20 0 EHADMM C[C@@H]1CC[C@@](C)(/C=C\C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1(C)C ZINC001133907015 1136358976 /nfs/dbraw/zinc/35/89/76/1136358976.db2.gz KHQLRMXYXRNWMI-DMLVQPEPSA-N -1 1 330.354 3.781 20 0 EHADMM CCOC(=O)c1nc(NC(=O)C[C@H](CC)c2ccccc2)[n-]c1Cl ZINC001134101837 1136406871 /nfs/dbraw/zinc/40/68/71/1136406871.db2.gz WAXMRAHJKAKJGE-NSHDSACASA-N -1 1 349.818 3.762 20 0 EHADMM O=c1cc(CN2CCC[C@H](CCF)C2)c2cc(Cl)c([O-])cc2o1 ZINC000852531419 1136463000 /nfs/dbraw/zinc/46/30/00/1136463000.db2.gz MJMYIVHSUGFVKB-LLVKDONJSA-N -1 1 339.794 3.724 20 0 EHADMM CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000852701066 1136479340 /nfs/dbraw/zinc/47/93/40/1136479340.db2.gz YVIHDFVFCXRZST-VGPLMAKISA-N -1 1 333.815 3.915 20 0 EHADMM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c(C)o1 ZINC000853036699 1136500647 /nfs/dbraw/zinc/50/06/47/1136500647.db2.gz NSABSEKDJDMTEV-AWEZNQCLSA-N -1 1 327.302 3.831 20 0 EHADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)nn1[C@@H](C)C1CC1 ZINC000885675787 1136603305 /nfs/dbraw/zinc/60/33/05/1136603305.db2.gz AVGMOSZLUQJWJX-VIFPVBQESA-N -1 1 337.782 3.913 20 0 EHADMM C[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)N1CCc2ccccc2C1 ZINC000885675890 1136604747 /nfs/dbraw/zinc/60/47/47/1136604747.db2.gz DIYSWGXTROZDBN-NSHDSACASA-N -1 1 348.805 3.570 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCCC(C)(C)C2)cc1 ZINC000112686490 1136646665 /nfs/dbraw/zinc/64/66/65/1136646665.db2.gz LJYXDCDESZNESK-UHFFFAOYSA-N -1 1 344.484 3.565 20 0 EHADMM O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000816483787 1136723835 /nfs/dbraw/zinc/72/38/35/1136723835.db2.gz FIAGYAVOPNZJDT-INIZCTEOSA-N -1 1 345.826 3.753 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000115478344 1136901220 /nfs/dbraw/zinc/90/12/20/1136901220.db2.gz CTJVZERIKARQHM-ZDUSSCGKSA-N -1 1 340.537 3.860 20 0 EHADMM C[C@@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCc2ccccc21 ZINC001136191059 1136916790 /nfs/dbraw/zinc/91/67/90/1136916790.db2.gz XVRXRJHWYNBACR-HXUWFJFHSA-N -1 1 333.391 3.625 20 0 EHADMM C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000857932560 1136923866 /nfs/dbraw/zinc/92/38/66/1136923866.db2.gz PCLMARFJMYTYRK-CYBMUJFWSA-N -1 1 346.386 3.528 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CC(F)(F)F)C1CC1 ZINC000819990343 1136971227 /nfs/dbraw/zinc/97/12/27/1136971227.db2.gz XSPVMBDRTKKYIV-UHFFFAOYSA-N -1 1 327.224 3.578 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000821124545 1137017776 /nfs/dbraw/zinc/01/77/76/1137017776.db2.gz YFCJISPUERDIPF-UHFFFAOYSA-N -1 1 340.763 3.730 20 0 EHADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000859810833 1137031526 /nfs/dbraw/zinc/03/15/26/1137031526.db2.gz VGLUHNSEHOWGCA-GOSISDBHSA-N -1 1 333.334 3.617 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000860163360 1137047447 /nfs/dbraw/zinc/04/74/47/1137047447.db2.gz OVUNEKUTGRYWBK-JKSUJKDBSA-N -1 1 330.405 3.546 20 0 EHADMM S=c1nc(-c2ccccn2)[n-]n1CN(Cc1ccccc1)C1CC1 ZINC000117319111 1137050170 /nfs/dbraw/zinc/05/01/70/1137050170.db2.gz USUHVWJUXYCRLJ-UHFFFAOYSA-N -1 1 337.452 3.625 20 0 EHADMM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cccc([O-])c1F ZINC001136543184 1137051598 /nfs/dbraw/zinc/05/15/98/1137051598.db2.gz IQFRQTFEUWLGHG-UHFFFAOYSA-N -1 1 349.789 3.620 20 0 EHADMM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C)c2cncc(F)c2)cnc1Cl ZINC000822368410 1137056618 /nfs/dbraw/zinc/05/66/18/1137056618.db2.gz JJEKNIVJOFEVKB-VIFPVBQESA-N -1 1 343.736 3.547 20 0 EHADMM COc1cccc(C[C@H](C)CC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC000822543714 1137064467 /nfs/dbraw/zinc/06/44/67/1137064467.db2.gz ZSZDZUFRBMJJRL-NSHDSACASA-N -1 1 335.350 3.886 20 0 EHADMM CC(C)(CNC(=O)c1ncc2ccccc2c1[O-])c1ccc(F)cc1 ZINC001136643107 1137077950 /nfs/dbraw/zinc/07/79/50/1137077950.db2.gz YIGNXJSSUSIGTQ-UHFFFAOYSA-N -1 1 338.382 3.787 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])[C@@H](C)[C@H]1C ZINC000822944859 1137080284 /nfs/dbraw/zinc/08/02/84/1137080284.db2.gz XWIITTZZCOXHAW-AGIUHOORSA-N -1 1 327.380 3.581 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@H]2CCC=CCCC2)c(=O)[n-]1 ZINC000861230333 1137097698 /nfs/dbraw/zinc/09/76/98/1137097698.db2.gz HTAUYSVMNNVBNL-ZDUSSCGKSA-N -1 1 336.457 3.577 20 0 EHADMM C[C@H]1SCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)[C@H]1C ZINC000118383665 1137113233 /nfs/dbraw/zinc/11/32/33/1137113233.db2.gz RIUOWLHUZYDUMM-QWHCGFSZSA-N -1 1 340.562 3.847 20 0 EHADMM Cc1cc(Br)ccc1CNC(=O)c1c([O-])cccc1F ZINC001136809904 1137123223 /nfs/dbraw/zinc/12/32/23/1137123223.db2.gz IEYAXRQKNMNBDN-UHFFFAOYSA-N -1 1 338.176 3.532 20 0 EHADMM CC(=O)N[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C(C)(C)C ZINC000862295488 1137137766 /nfs/dbraw/zinc/13/77/66/1137137766.db2.gz KBEZYLAEUUGSFU-MRXNPFEDSA-N -1 1 348.830 3.688 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)c1 ZINC001136924021 1137148655 /nfs/dbraw/zinc/14/86/55/1137148655.db2.gz LWIYQVAROQUOTA-UHFFFAOYSA-N -1 1 337.419 3.935 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)Cc2ccoc2)c1 ZINC000825011273 1137160329 /nfs/dbraw/zinc/16/03/29/1137160329.db2.gz DSPNISVWERLDPP-LBPRGKRZSA-N -1 1 340.345 3.810 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)C[C@H](C)C1CCCCC1 ZINC000863046685 1137168239 /nfs/dbraw/zinc/16/82/39/1137168239.db2.gz OOBCXZYMIJUFKY-ZDUSSCGKSA-N -1 1 333.476 3.902 20 0 EHADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001137038383 1137178228 /nfs/dbraw/zinc/17/82/28/1137178228.db2.gz CIFXCUDVILWODA-SFHVURJKSA-N -1 1 339.435 3.915 20 0 EHADMM CCC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC000863421885 1137185558 /nfs/dbraw/zinc/18/55/58/1137185558.db2.gz YWJNOHPSTVZCDP-UHFFFAOYSA-N -1 1 345.420 3.621 20 0 EHADMM CCC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001143704038 1137192182 /nfs/dbraw/zinc/19/21/82/1137192182.db2.gz YCROVJMBQHSPAK-KRWDZBQOSA-N -1 1 325.408 3.654 20 0 EHADMM CCn1ccc(CN(C)Cc2cc(=O)oc3cc([O-])c(Cl)cc23)c1 ZINC000794570916 1137208008 /nfs/dbraw/zinc/20/80/08/1137208008.db2.gz RBYJPLZCLLVAIY-UHFFFAOYSA-N -1 1 346.814 3.605 20 0 EHADMM CCCc1nc(-c2nc3cc(C)c(Br)cc3c(=O)[n-]2)co1 ZINC000864354204 1137223131 /nfs/dbraw/zinc/22/31/31/1137223131.db2.gz AACSHIQVQDPDRW-UHFFFAOYSA-N -1 1 348.200 3.602 20 0 EHADMM COCCOc1cccc(-c2nc(=O)c3c(C)sc(C)c3[n-]2)c1 ZINC000864355047 1137223162 /nfs/dbraw/zinc/22/31/62/1137223162.db2.gz KFSIBHDBYRBKQV-UHFFFAOYSA-N -1 1 330.409 3.706 20 0 EHADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cccc(OC)c1F ZINC000864529742 1137232814 /nfs/dbraw/zinc/23/28/14/1137232814.db2.gz YZJNXLRRNSNBQJ-INIZCTEOSA-N -1 1 331.387 3.702 20 0 EHADMM CCOc1cc(C(=O)Nc2cc3cc[nH]c3cn2)cc(Cl)c1[O-] ZINC001144139513 1137243298 /nfs/dbraw/zinc/24/32/98/1137243298.db2.gz HIKUPTNQXWMDMX-UHFFFAOYSA-N -1 1 331.759 3.573 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000864943179 1137254096 /nfs/dbraw/zinc/25/40/96/1137254096.db2.gz AXUQPPBFWYHQTE-UHFFFAOYSA-N -1 1 348.805 3.966 20 0 EHADMM Cc1nn(-c2ccccc2)c(Cl)c1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000844834993 1137254310 /nfs/dbraw/zinc/25/43/10/1137254310.db2.gz HEVBAUMHNQTYDO-OAHLLOKOSA-N -1 1 347.846 3.663 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCC3CCC(F)CC3)c2)o1 ZINC001144709546 1137335434 /nfs/dbraw/zinc/33/54/34/1137335434.db2.gz YKFQAJNWTUYJKM-UHFFFAOYSA-N -1 1 345.370 3.723 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000846622122 1137359546 /nfs/dbraw/zinc/35/95/46/1137359546.db2.gz OHLAULSVDAJZBM-WPPJOMGTSA-N -1 1 331.460 3.559 20 0 EHADMM Cc1cc(C)cc(-c2nnc(NC(=O)c3cccc([O-])c3F)s2)c1 ZINC001146231713 1137388162 /nfs/dbraw/zinc/38/81/62/1137388162.db2.gz DPPLANPMMOVMDP-UHFFFAOYSA-N -1 1 343.383 3.919 20 0 EHADMM CCc1c[nH]c(CC(=O)Nc2cc(Cl)c([O-])c3ccccc23)n1 ZINC001148261465 1137420945 /nfs/dbraw/zinc/42/09/45/1137420945.db2.gz UGWYIGDVAWUJCM-UHFFFAOYSA-N -1 1 329.787 3.666 20 0 EHADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001148794700 1137435087 /nfs/dbraw/zinc/43/50/87/1137435087.db2.gz LCMVADHIMVTPEJ-SECBINFHSA-N -1 1 337.288 3.918 20 0 EHADMM CCOc1cccc(CNC(=O)c2cccc(-c3ccccc3)c2[O-])n1 ZINC001148872059 1137437060 /nfs/dbraw/zinc/43/70/60/1137437060.db2.gz FXQWJGDQHZGMSQ-UHFFFAOYSA-N -1 1 348.402 3.783 20 0 EHADMM COC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001148977072 1137439018 /nfs/dbraw/zinc/43/90/18/1137439018.db2.gz CFUKGMWKBAMJRJ-GOSISDBHSA-N -1 1 335.403 3.533 20 0 EHADMM CC[C@H](CNC(=O)c1ccc(Cl)cc1[O-])Oc1ccccc1F ZINC001149012814 1137439327 /nfs/dbraw/zinc/43/93/27/1137439327.db2.gz YVHDKBOSGBVUQF-GFCCVEGCSA-N -1 1 337.778 3.772 20 0 EHADMM Cc1ccc(-c2cc([N-]S(=O)(=O)C=Cc3ccc(C)cc3)n[nH]2)o1 ZINC000773280831 1137486142 /nfs/dbraw/zinc/48/61/42/1137486142.db2.gz ZMTXNQSIQCYSHG-MDZDMXLPSA-N -1 1 343.408 3.699 20 0 EHADMM Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cccc(F)c1[O-] ZINC001171632613 1137499806 /nfs/dbraw/zinc/49/98/06/1137499806.db2.gz IJMHTMXCOODPRD-UHFFFAOYSA-N -1 1 334.372 3.502 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1cnc(Cc2ccccc2F)s1 ZINC001171638543 1137504588 /nfs/dbraw/zinc/50/45/88/1137504588.db2.gz YFWQKXBVZAZLIY-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)c1 ZINC001171943525 1137521973 /nfs/dbraw/zinc/52/19/73/1137521973.db2.gz AZWWSCXHJNEQDM-FQEVSTJZSA-N -1 1 341.382 3.614 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](C2CCC2)CC1 ZINC000871223068 1137528336 /nfs/dbraw/zinc/52/83/36/1137528336.db2.gz PXHRVYMNVJTLJE-HNNXBMFYSA-N -1 1 331.460 3.656 20 0 EHADMM Cc1ccc2nc(-c3cccc(N4CCCC4=O)c3)[n-]c(=O)c2c1C ZINC000871601182 1137548409 /nfs/dbraw/zinc/54/84/09/1137548409.db2.gz GBUIXUIBAHKQMG-UHFFFAOYSA-N -1 1 333.391 3.746 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)[nH]nc1C(C)C ZINC000872006568 1137564402 /nfs/dbraw/zinc/56/44/02/1137564402.db2.gz KDIDIRMXYFQDFT-UHFFFAOYSA-N -1 1 347.362 3.719 20 0 EHADMM Cc1ccc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1C(=O)[O-] ZINC000872158377 1137574290 /nfs/dbraw/zinc/57/42/90/1137574290.db2.gz CBSSSVFLQJGXEY-UZLBHIALSA-N -1 1 339.435 3.964 20 0 EHADMM O=S(=O)([N-]c1ccc(C2CC2)cc1F)c1cnn(C2CCCC2)c1 ZINC000872406311 1137579431 /nfs/dbraw/zinc/57/94/31/1137579431.db2.gz ISKQGWVMTOTSIV-UHFFFAOYSA-N -1 1 349.431 3.816 20 0 EHADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000874476881 1137614983 /nfs/dbraw/zinc/61/49/83/1137614983.db2.gz KCXYKPDMUKSQCN-LBPRGKRZSA-N -1 1 341.251 3.826 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC(C(F)(F)F)CC1 ZINC000876393999 1137650542 /nfs/dbraw/zinc/65/05/42/1137650542.db2.gz PCXASZVJVVHAJX-UHFFFAOYSA-N -1 1 336.741 3.530 20 0 EHADMM COc1ccc(CN(C)C(=O)NCc2ccc([O-])c(Cl)c2)cc1C ZINC000876392869 1137650558 /nfs/dbraw/zinc/65/05/58/1137650558.db2.gz BLLYZKZKZYDXNJ-UHFFFAOYSA-N -1 1 348.830 3.704 20 0 EHADMM C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876395893 1137650710 /nfs/dbraw/zinc/65/07/10/1137650710.db2.gz RLOHJFXZQXVACZ-BLLLJJGKSA-N -1 1 345.830 3.733 20 0 EHADMM Cc1c(=O)[n-]c(SCOC(=O)C2CCC2)nc1-c1ccccc1 ZINC000882154690 1137822262 /nfs/dbraw/zinc/82/22/62/1137822262.db2.gz WHJNYRGJBHELDZ-UHFFFAOYSA-N -1 1 330.409 3.551 20 0 EHADMM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129557148 1137824593 /nfs/dbraw/zinc/82/45/93/1137824593.db2.gz HAZPMOVREOJHOD-UHFFFAOYSA-N -1 1 344.798 3.671 20 0 EHADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2F)c1 ZINC000130413980 1137837038 /nfs/dbraw/zinc/83/70/38/1137837038.db2.gz SRKWONKTSVFRQP-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM COc1c(C)cc(CN(C)C(=O)c2c(F)ccc([O-])c2F)cc1C ZINC000348259522 1137886161 /nfs/dbraw/zinc/88/61/61/1137886161.db2.gz CWPVYSWOSOOCSU-UHFFFAOYSA-N -1 1 335.350 3.568 20 0 EHADMM CC(C)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1Cl ZINC000332311043 1137939397 /nfs/dbraw/zinc/93/93/97/1137939397.db2.gz JNIISJVDLKEHOQ-GFCCVEGCSA-N -1 1 349.818 3.572 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000119466319 1137942028 /nfs/dbraw/zinc/94/20/28/1137942028.db2.gz XVZHQNYKIDOHGW-ZDUSSCGKSA-N -1 1 348.472 3.630 20 0 EHADMM Cn1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000333079339 1137954773 /nfs/dbraw/zinc/95/47/73/1137954773.db2.gz QDWXWLCCSVTZPS-GOSISDBHSA-N -1 1 335.407 3.646 20 0 EHADMM Cn1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)c(C2CCCC2)n1 ZINC000885682202 1138018365 /nfs/dbraw/zinc/01/83/65/1138018365.db2.gz LCJZDXKOLZMKSI-UHFFFAOYSA-N -1 1 337.782 3.828 20 0 EHADMM Cc1cc(C(=O)NCCc2c(F)cc([O-])cc2F)c(C(F)(F)F)o1 ZINC000886266597 1138062743 /nfs/dbraw/zinc/06/27/43/1138062743.db2.gz RLJHKWSSWOPFKP-UHFFFAOYSA-N -1 1 349.255 3.563 20 0 EHADMM CCN(C(=O)c1ccc(Br)cc1[O-])[C@H](C)c1cccnc1 ZINC000094151579 1138243802 /nfs/dbraw/zinc/24/38/02/1138243802.db2.gz NBBYXBCHGNEKCY-LLVKDONJSA-N -1 1 349.228 3.773 20 0 EHADMM Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc([O-])cn1 ZINC001137242641 1138254759 /nfs/dbraw/zinc/25/47/59/1138254759.db2.gz LKAQTLAEJTXMEM-UHFFFAOYSA-N -1 1 334.375 3.927 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC2(CCCCC2)[C@H]1C(C)C ZINC000333770425 1138330709 /nfs/dbraw/zinc/33/07/09/1138330709.db2.gz RLDPFCWVALRHKY-CQSZACIVSA-N -1 1 349.500 3.643 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000337796356 1138670493 /nfs/dbraw/zinc/67/04/93/1138670493.db2.gz DKBWCMFJXPZREN-UHFFFAOYSA-N -1 1 348.321 3.657 20 0 EHADMM COc1cnc([C@@H]2CCCN2C(=O)C[C@@H](C)CCC=C(C)C)[n-]c1=O ZINC000889787937 1139268388 /nfs/dbraw/zinc/26/83/88/1139268388.db2.gz SQSFZOJFAXWBHD-GJZGRUSLSA-N -1 1 347.459 3.627 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](C)Cc2cccs2)cc(Cl)c1[O-] ZINC000186592158 1140212508 /nfs/dbraw/zinc/21/25/08/1140212508.db2.gz JFIGXOBYODRXNE-JTQLQIEISA-N -1 1 339.844 3.867 20 0 EHADMM COC(=O)c1c[n-]c(SCc2csc(CCC(C)C)n2)n1 ZINC000187586860 1140262738 /nfs/dbraw/zinc/26/27/38/1140262738.db2.gz JIXIAEXOPLBGHH-UHFFFAOYSA-N -1 1 325.459 3.534 20 0 EHADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000194055275 1140596386 /nfs/dbraw/zinc/59/63/86/1140596386.db2.gz HPFOKXYEAJGZGS-MRXNPFEDSA-N -1 1 348.406 3.545 20 0 EHADMM CC(C)(C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)no1 ZINC000266227731 1140657166 /nfs/dbraw/zinc/65/71/66/1140657166.db2.gz RHKWXSXPAVGMNB-UHFFFAOYSA-N -1 1 345.790 3.663 20 0 EHADMM CC(C)c1cnc(SCc2cc(=O)oc3cc([O-])ccc23)n1C ZINC000267103201 1140759016 /nfs/dbraw/zinc/75/90/16/1140759016.db2.gz ZTXOQMGQJYRZCQ-UHFFFAOYSA-N -1 1 330.409 3.648 20 0 EHADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCS1 ZINC000283140016 1141560292 /nfs/dbraw/zinc/56/02/92/1141560292.db2.gz XSTGTOLFSYNPLV-SNVBAGLBSA-N -1 1 336.844 3.561 20 0 EHADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1C ZINC000078580807 217080646 /nfs/dbraw/zinc/08/06/46/217080646.db2.gz WFFNDUQSLMKMIX-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000320532566 597075866 /nfs/dbraw/zinc/07/58/66/597075866.db2.gz PZFTXNSUIGFYIX-GFCCVEGCSA-N -1 1 334.803 3.682 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000818052381 597208844 /nfs/dbraw/zinc/20/88/44/597208844.db2.gz HFVSFUOYJGAGRE-LLVKDONJSA-N -1 1 345.349 3.980 20 0 EHADMM CC1(C)C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)c2ccccc21 ZINC000820589975 607306892 /nfs/dbraw/zinc/30/68/92/607306892.db2.gz OHLDYPINRBOOMT-JTQLQIEISA-N -1 1 346.847 3.811 20 0 EHADMM CC1(C)C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)c2ccccc21 ZINC000820589975 607306893 /nfs/dbraw/zinc/30/68/93/607306893.db2.gz OHLDYPINRBOOMT-JTQLQIEISA-N -1 1 346.847 3.811 20 0 EHADMM Cc1coc(-c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000822403866 607318641 /nfs/dbraw/zinc/31/86/41/607318641.db2.gz YDKGZCAJYDDYBU-UHFFFAOYSA-N -1 1 338.396 3.504 20 0 EHADMM C[C@H]1CC(=O)c2c1c(F)ccc2Oc1cccc(F)c1-c1nnn[n-]1 ZINC000736226014 598235546 /nfs/dbraw/zinc/23/55/46/598235546.db2.gz UPWQVZNJHSYCCM-QMMMGPOBSA-N -1 1 342.305 3.627 20 0 EHADMM C[C@H]1CC(=O)c2c1c(F)ccc2Oc1cccc(F)c1-c1nn[n-]n1 ZINC000736226014 598235550 /nfs/dbraw/zinc/23/55/50/598235550.db2.gz UPWQVZNJHSYCCM-QMMMGPOBSA-N -1 1 342.305 3.627 20 0 EHADMM Clc1ccc(NCc2cc3ccccc3s2)nc1-c1nnn[n-]1 ZINC000737576232 598578239 /nfs/dbraw/zinc/57/82/39/598578239.db2.gz ZFAMWEZATUDQDA-UHFFFAOYSA-N -1 1 342.815 3.742 20 0 EHADMM Clc1ccc(NCc2cc3ccccc3s2)nc1-c1nn[n-]n1 ZINC000737576232 598578241 /nfs/dbraw/zinc/57/82/41/598578241.db2.gz ZFAMWEZATUDQDA-UHFFFAOYSA-N -1 1 342.815 3.742 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000321103353 599753973 /nfs/dbraw/zinc/75/39/73/599753973.db2.gz XIXIMJFOTJFLAT-HNNXBMFYSA-N -1 1 334.803 3.824 20 0 EHADMM CCN(Cc1cc(C(=O)[O-])co1)Cc1cccc(Br)c1 ZINC000737104219 599849400 /nfs/dbraw/zinc/84/94/00/599849400.db2.gz NQGDIKKORHNCOB-UHFFFAOYSA-N -1 1 338.201 3.762 20 0 EHADMM CCc1ccc(-c2nc(CN3CCC[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000164654520 600129402 /nfs/dbraw/zinc/12/94/02/600129402.db2.gz SBGRKDKFTXTLOX-OAHLLOKOSA-N -1 1 330.453 3.669 20 0 EHADMM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000263578836 600143962 /nfs/dbraw/zinc/14/39/62/600143962.db2.gz TVMPFBHYZWSMAN-SFHVURJKSA-N -1 1 325.408 3.737 20 0 EHADMM C[C@H](c1ccc(Br)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405364057 600296128 /nfs/dbraw/zinc/29/61/28/600296128.db2.gz RTRHIGURZATPDU-RISCZKNCSA-N -1 1 338.245 3.697 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1csc(-c3ccccc3F)n1)CC2 ZINC000739536956 600307077 /nfs/dbraw/zinc/30/70/77/600307077.db2.gz PVGUDLJTEVDAKW-AWEZNQCLSA-N -1 1 346.427 3.636 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000738289961 600428174 /nfs/dbraw/zinc/42/81/74/600428174.db2.gz QRJGTCZUZIONTF-LBPRGKRZSA-N -1 1 327.856 3.649 20 0 EHADMM O=C([O-])c1cccc(OCCN2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000740230753 600542297 /nfs/dbraw/zinc/54/22/97/600542297.db2.gz FZCOQPUYIWPGGJ-SFHVURJKSA-N -1 1 347.361 3.879 20 0 EHADMM CC[C@H](c1ccncc1)N(CC)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000736928767 600559235 /nfs/dbraw/zinc/55/92/35/600559235.db2.gz FKYUYGAPVURVMD-QGZVFWFLSA-N -1 1 338.411 3.560 20 0 EHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(OC(F)F)cc1 ZINC000827718595 600735415 /nfs/dbraw/zinc/73/54/15/600735415.db2.gz WMXAWSKEKMMVDM-ZUZCIYMTSA-N -1 1 339.313 3.904 20 0 EHADMM CCN(CCOc1ccc(C(=O)[O-])cc1Cl)CCC(F)(F)F ZINC000652405521 600821285 /nfs/dbraw/zinc/82/12/85/600821285.db2.gz JSOYULGXFLESPU-UHFFFAOYSA-N -1 1 339.741 3.691 20 0 EHADMM CCCC[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000829296122 600833506 /nfs/dbraw/zinc/83/35/06/600833506.db2.gz NUTJZDDTQFWHOJ-NSHDSACASA-N -1 1 325.821 3.861 20 0 EHADMM Cc1ccccc1-c1cnc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)o1 ZINC000547807045 600986071 /nfs/dbraw/zinc/98/60/71/600986071.db2.gz WDWCAIANBXYCCO-PVAVHDDUSA-N -1 1 340.423 3.868 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000826051910 601202659 /nfs/dbraw/zinc/20/26/59/601202659.db2.gz DYZPCVVJQBXBBK-MLGOLLRUSA-N -1 1 342.420 3.955 20 0 EHADMM C[C@H](CN(Cc1nc2cc(F)ccc2o1)Cc1ccccc1)C(=O)[O-] ZINC000827455572 601624931 /nfs/dbraw/zinc/62/49/31/601624931.db2.gz LTBVIKIIGGLZSH-CYBMUJFWSA-N -1 1 342.370 3.690 20 0 EHADMM c1cc(-c2nn[n-]n2)sc1CNc1ccccc1N1CCCCC1 ZINC000826522065 607524194 /nfs/dbraw/zinc/52/41/94/607524194.db2.gz KXAHKILOGBUEOT-UHFFFAOYSA-N -1 1 340.456 3.531 20 0 EHADMM O=C([O-])CCC1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000315853810 601842161 /nfs/dbraw/zinc/84/21/61/601842161.db2.gz ICTWBQIGOCSGJF-UHFFFAOYSA-N -1 1 336.482 3.948 20 0 EHADMM O=C([O-])[C@H](N[C@H]1COc2c1cccc2Cl)c1cccc(Cl)c1 ZINC000833168681 601852315 /nfs/dbraw/zinc/85/23/15/601852315.db2.gz ZGCAZBPGRDEDFI-UONOGXRCSA-N -1 1 338.190 3.842 20 0 EHADMM O=C([O-])c1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)s1 ZINC000833315540 601949113 /nfs/dbraw/zinc/94/91/13/601949113.db2.gz ZCIPVPYHKVXDNZ-HNNXBMFYSA-N -1 1 349.427 3.767 20 0 EHADMM COc1ccccc1CN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832618076 601971142 /nfs/dbraw/zinc/97/11/42/601971142.db2.gz KZODDNJXJFOLHT-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM C[C@H](CC(=O)[O-])C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000827309594 602181243 /nfs/dbraw/zinc/18/12/43/602181243.db2.gz CCWUMHVYXJJGHZ-LLVKDONJSA-N -1 1 329.400 3.660 20 0 EHADMM CN(Cc1csc(-c2ccc(F)cc2)n1)C1CCN(C(=O)[O-])CC1 ZINC000828410549 603988794 /nfs/dbraw/zinc/98/87/94/603988794.db2.gz IFDHPIIZYSAMOG-UHFFFAOYSA-N -1 1 349.431 3.523 20 0 EHADMM C[C@H](c1cccc(Br)c1)N1CCC(CC(=O)[O-])CC1 ZINC000093682228 604333311 /nfs/dbraw/zinc/33/33/11/604333311.db2.gz JIWULDJUPQCVRU-LLVKDONJSA-N -1 1 326.234 3.697 20 0 EHADMM CN(CC(=O)[O-])Cc1ccc(-c2ccccc2Br)s1 ZINC000833691791 604540334 /nfs/dbraw/zinc/54/03/34/604540334.db2.gz CBUNQUPMEPOPHA-UHFFFAOYSA-N -1 1 340.242 3.694 20 0 EHADMM CC(C)(NCc1ccc(C(=O)[O-])[nH]1)c1ccccc1Br ZINC000833460374 605116857 /nfs/dbraw/zinc/11/68/57/605116857.db2.gz ASYJHBBVPISONA-UHFFFAOYSA-N -1 1 337.217 3.500 20 0 EHADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000833812567 605597605 /nfs/dbraw/zinc/59/76/05/605597605.db2.gz KEMHSLIKTVLFOR-GXTWGEPZSA-N -1 1 337.489 3.669 20 0 EHADMM Cc1cc(OC(C)C)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822210478 606411800 /nfs/dbraw/zinc/41/18/00/606411800.db2.gz DKSSQTRQSWOLEG-UHFFFAOYSA-N -1 1 329.429 3.636 20 0 EHADMM Fc1cccc([C@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)c1 ZINC000822786306 606734300 /nfs/dbraw/zinc/73/43/00/606734300.db2.gz IWHGVGULPMUDCA-GOSISDBHSA-N -1 1 346.369 3.602 20 0 EHADMM Fc1cccc([C@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)c1 ZINC000822786306 606734301 /nfs/dbraw/zinc/73/43/01/606734301.db2.gz IWHGVGULPMUDCA-GOSISDBHSA-N -1 1 346.369 3.602 20 0 EHADMM CC(C)(C)[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000824071665 607901564 /nfs/dbraw/zinc/90/15/64/607901564.db2.gz LXRDQJJMBTWJIE-HNNXBMFYSA-N -1 1 326.379 3.600 20 0 EHADMM CC(C)(C)[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000824071665 607901565 /nfs/dbraw/zinc/90/15/65/607901565.db2.gz LXRDQJJMBTWJIE-HNNXBMFYSA-N -1 1 326.379 3.600 20 0 EHADMM C[C@H]1CCc2ccccc2[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824966593 608193552 /nfs/dbraw/zinc/19/35/52/608193552.db2.gz CBMXLSHDTNAQRA-UFBFGSQYSA-N -1 1 346.847 3.712 20 0 EHADMM C[C@H]1CCc2ccccc2[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824966593 608193555 /nfs/dbraw/zinc/19/35/55/608193555.db2.gz CBMXLSHDTNAQRA-UFBFGSQYSA-N -1 1 346.847 3.712 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1Cl ZINC000826232278 608417689 /nfs/dbraw/zinc/41/76/89/608417689.db2.gz QPIZAURASWVXCE-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC000826232278 608417691 /nfs/dbraw/zinc/41/76/91/608417691.db2.gz QPIZAURASWVXCE-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM CC(C)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(C(C)C)c1 ZINC001574416669 948757130 /nfs/dbraw/zinc/75/71/30/948757130.db2.gz CGEANXIIPFIFGF-UHFFFAOYSA-N -1 1 339.399 3.959 20 0 EHADMM CC(C)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(C(C)C)c1 ZINC001574416669 948757141 /nfs/dbraw/zinc/75/71/41/948757141.db2.gz CGEANXIIPFIFGF-UHFFFAOYSA-N -1 1 339.399 3.959 20 0 EHADMM CC(C)[C@@H]1CCc2ccccc2N1Cc1ccc(-c2nn[n-]n2)s1 ZINC001574098443 949157906 /nfs/dbraw/zinc/15/79/06/949157906.db2.gz AEQYNAGKGGAECP-HNNXBMFYSA-N -1 1 339.468 3.906 20 0 EHADMM CC(C)CC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001574185035 950795007 /nfs/dbraw/zinc/79/50/07/950795007.db2.gz RXVHDHCNJSMNOH-CYBMUJFWSA-N -1 1 335.477 3.509 20 0 EHADMM C[C@H](CN(C)Cc1coc(-c2ccccc2C(F)(F)F)n1)C(=O)[O-] ZINC000634690458 953869028 /nfs/dbraw/zinc/86/90/28/953869028.db2.gz LTJGYVCXOFUWES-SNVBAGLBSA-N -1 1 342.317 3.513 20 0 EHADMM O=C([O-])[C@@H](C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1)C1CC1 ZINC001594838222 954047444 /nfs/dbraw/zinc/04/74/44/954047444.db2.gz WBGKPKBUPANRGT-MRXNPFEDSA-N -1 1 341.411 3.660 20 0 EHADMM O=C([O-])[C@H]1C[C@H](NCc2conc2Cc2ccccc2)c2ccccc21 ZINC001594899177 954603420 /nfs/dbraw/zinc/60/34/20/954603420.db2.gz BOKFBMJOLGMIRU-ICSRJNTNSA-N -1 1 348.402 3.668 20 0 EHADMM O=C([O-])C1(NC(=O)c2cc(Cl)c3ccccc3c2O)CCCCC1 ZINC001594721302 956969360 /nfs/dbraw/zinc/96/93/60/956969360.db2.gz DAVCGESGTPVIJT-UHFFFAOYSA-N -1 1 347.798 3.716 20 0 EHADMM COc1cccc(CN2CCc3ccccc3[C@H]2C(=O)[O-])c1Cl ZINC001594128467 958649887 /nfs/dbraw/zinc/64/98/87/958649887.db2.gz RMBPWXRRPNRJFJ-KRWDZBQOSA-N -1 1 331.799 3.533 20 0 EHADMM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2Br)cc1 ZINC000232443782 960273729 /nfs/dbraw/zinc/27/37/29/960273729.db2.gz GZNAHWJVXOPRSG-UHFFFAOYSA-N -1 1 334.213 3.746 20 0 EHADMM O=C([O-])c1ccc2c(c1)CN(Cc1ccc(F)c3cccnc13)CC2 ZINC000392764966 972519374 /nfs/dbraw/zinc/51/93/74/972519374.db2.gz SVXNRSZTOOBOSJ-UHFFFAOYSA-N -1 1 336.366 3.630 20 0 EHADMM O=C([O-])CCCN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000262459437 961733901 /nfs/dbraw/zinc/73/39/01/961733901.db2.gz XHUOGOZNVOXMCH-ZDUSSCGKSA-N -1 1 330.197 3.590 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000903697175 969590701 /nfs/dbraw/zinc/59/07/01/969590701.db2.gz DXTFWIXNEFSBEU-ZDUSSCGKSA-N -1 1 331.334 3.630 20 0 EHADMM CC1(C)CO[C@@H](c2cccc(F)c2)CN1CCC1(C(=O)[O-])CCC1 ZINC000903707464 969594987 /nfs/dbraw/zinc/59/49/87/969594987.db2.gz YMOVFHJJTCSLJC-MRXNPFEDSA-N -1 1 335.419 3.623 20 0 EHADMM Cc1nc(C(F)(F)F)c(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001605397538 973376357 /nfs/dbraw/zinc/37/63/57/973376357.db2.gz NWCHHNRBGNLFPC-LLVKDONJSA-N -1 1 348.321 3.525 20 0 EHADMM O=C([O-])c1sc2cccc(F)c2c1CN1CCC(F)(F)CC1 ZINC000405120492 973766339 /nfs/dbraw/zinc/76/63/39/973766339.db2.gz WATOKXCFGCMDPP-UHFFFAOYSA-N -1 1 329.343 3.970 20 0 EHADMM C[C@H]1CCc2nc(CN[C@H](CCC(=O)[O-])c3ccccc3)sc2C1 ZINC000417605058 973963522 /nfs/dbraw/zinc/96/35/22/973963522.db2.gz XAAIDIXJGDPUOV-DZGCQCFKSA-N -1 1 344.480 3.964 20 0 EHADMM CO[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000520430877 974339362 /nfs/dbraw/zinc/33/93/62/974339362.db2.gz POILNJDZCYALNM-KGLIPLIRSA-N -1 1 346.254 3.866 20 0 EHADMM CCOc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000569732763 974698118 /nfs/dbraw/zinc/69/81/18/974698118.db2.gz OELWENBWGUIPOZ-SFHVURJKSA-N -1 1 326.396 3.516 20 0 EHADMM CO[C@@]1(C)C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C1(C)C ZINC000571930490 974739116 /nfs/dbraw/zinc/73/91/16/974739116.db2.gz OBIPWVWYCYQLIP-YOEHRIQHSA-N -1 1 325.836 3.674 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(-c3ccccc3Cl)on1)CC2 ZINC000578898648 974864142 /nfs/dbraw/zinc/86/41/42/974864142.db2.gz CKCBGXXPIWVJPP-AWEZNQCLSA-N -1 1 346.814 3.682 20 0 EHADMM Cc1cc(CNCc2cccc(OC3CC3)c2F)ccc1C(=O)[O-] ZINC000656567329 975664206 /nfs/dbraw/zinc/66/42/06/975664206.db2.gz NCQMSQLKCUNJEZ-UHFFFAOYSA-N -1 1 329.371 3.663 20 0 EHADMM CC(C)Oc1c(NC(=O)c2ccc(Cl)c(O)c2)cccc1C(=O)[O-] ZINC001591746376 975782117 /nfs/dbraw/zinc/78/21/17/975782117.db2.gz JRNWBUKQSFMGKU-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683172771 976077029 /nfs/dbraw/zinc/07/70/29/976077029.db2.gz HJWKISYSEZREKF-QGZVFWFLSA-N -1 1 335.350 3.669 20 0 EHADMM Cc1cc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)ccc1Cl ZINC000683174544 976078924 /nfs/dbraw/zinc/07/89/24/976078924.db2.gz UCEPPZMBEVDNNR-OAHLLOKOSA-N -1 1 325.742 3.842 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1F)c1cccc(Br)c1 ZINC000683173175 976079418 /nfs/dbraw/zinc/07/94/18/976079418.db2.gz FZKRKACZHPUNFA-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM Cc1ccc2cc(CN[C@@H](C(=O)[O-])c3cc(F)ccc3F)ccc2n1 ZINC000683174880 976079810 /nfs/dbraw/zinc/07/98/10/976079810.db2.gz RHIZNYQKNQBYDP-GOSISDBHSA-N -1 1 342.345 3.737 20 0 EHADMM C[C@](CC(=O)[O-])(NCc1ccc(Cl)cc1Cl)c1cccnc1 ZINC001592327882 977743135 /nfs/dbraw/zinc/74/31/35/977743135.db2.gz GOWBCTVOYZFQAX-MRXNPFEDSA-N -1 1 339.222 3.868 20 0 EHADMM CCc1nc(SCC(=O)Nc2ccc(SC)cc2)[n-]c(=O)c1C ZINC000584302935 1032098885 /nfs/dbraw/zinc/09/88/85/1032098885.db2.gz ROBRDONZQSXPPV-UHFFFAOYSA-N -1 1 349.481 3.506 20 0 EHADMM CC[C@@](NCc1ccc(C)c(OC)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300468 980434725 /nfs/dbraw/zinc/43/47/25/980434725.db2.gz QOZXDKBSMROQTF-SFHVURJKSA-N -1 1 348.830 3.532 20 0 EHADMM CC[C@@](NCc1cccc(Cl)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300721 980435688 /nfs/dbraw/zinc/43/56/88/980435688.db2.gz SDZFCOFZUWAMCM-INIZCTEOSA-N -1 1 339.222 3.868 20 0 EHADMM CC[C@](NCc1ccnc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595305892 980452928 /nfs/dbraw/zinc/45/29/28/980452928.db2.gz YJDKEGXLIFOFNZ-MRXNPFEDSA-N -1 1 339.222 3.868 20 0 EHADMM Cc1ncsc1CN[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000901745995 980476301 /nfs/dbraw/zinc/47/63/01/980476301.db2.gz HDANXHYNBNSUJD-CQSZACIVSA-N -1 1 345.251 3.848 20 0 EHADMM CN(C)c1ccc(/C=C/CN2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000901746860 980477586 /nfs/dbraw/zinc/47/75/86/980477586.db2.gz ZSRBUZFWIDWNHN-SNAWJCMRSA-N -1 1 336.435 3.522 20 0 EHADMM COc1ccc2oc(CN[C@@H](CC3CCCCC3)C(=O)[O-])cc2c1 ZINC000901773747 980503481 /nfs/dbraw/zinc/50/34/81/980503481.db2.gz WXBVQYYCOFIKTD-KRWDZBQOSA-N -1 1 331.412 3.955 20 0 EHADMM O=C([O-])[C@@H]1CCCCCN1Cc1cnc(CCc2ccccc2)s1 ZINC000902035903 980707606 /nfs/dbraw/zinc/70/76/06/980707606.db2.gz SVQOEOMNHMAFKU-KRWDZBQOSA-N -1 1 344.480 3.758 20 0 EHADMM CC1CCC(OC2CCN(Cc3ccc(/C=C\C(=O)[O-])o3)CC2)CC1 ZINC000902238425 980795258 /nfs/dbraw/zinc/79/52/58/980795258.db2.gz KGRFJTUBAHIDQF-HJWRWDBZSA-N -1 1 347.455 3.937 20 0 EHADMM CC1CCC(OC2CCN(Cc3ccc(/C=C/C(=O)[O-])o3)CC2)CC1 ZINC000902238424 980795483 /nfs/dbraw/zinc/79/54/83/980795483.db2.gz KGRFJTUBAHIDQF-CMDGGOBGSA-N -1 1 347.455 3.937 20 0 EHADMM COc1cc2c(cc1OC)[C@@H](NCc1cc(C(=O)[O-])co1)CCCC2 ZINC000902457340 980896765 /nfs/dbraw/zinc/89/67/65/980896765.db2.gz NRPIZCAHKPGZCU-INIZCTEOSA-N -1 1 345.395 3.552 20 0 EHADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(F)cc2Cl)cc1 ZINC000683171418 1014726207 /nfs/dbraw/zinc/72/62/07/1014726207.db2.gz KHXVZLDCYLYASS-INIZCTEOSA-N -1 1 337.778 3.793 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(Cl)ccc2F)cc1 ZINC000683172430 1014734129 /nfs/dbraw/zinc/73/41/29/1014734129.db2.gz ZWUFCJKCZKDERL-MRXNPFEDSA-N -1 1 337.778 3.793 20 0 EHADMM CCN(C)[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000909512777 981519996 /nfs/dbraw/zinc/51/99/96/981519996.db2.gz JJEXGIDNSHDHPY-GOSISDBHSA-N -1 1 340.423 3.633 20 0 EHADMM Cc1[nH]c(C(=O)CN2C[C@@H](C)C[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599943892 985490991 /nfs/dbraw/zinc/49/09/91/985490991.db2.gz HEPRLZONCIFPNF-LRDDRELGSA-N -1 1 340.423 3.596 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Br)ccc1Cl ZINC000263462607 1125493670 /nfs/dbraw/zinc/49/36/70/1125493670.db2.gz CBWBTUUCSGHYBQ-UWVGGRQHSA-N -1 1 346.652 3.788 20 0 EHADMM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1coc2ccccc12 ZINC001596929251 986013997 /nfs/dbraw/zinc/01/39/97/986013997.db2.gz VFUWZOXAYIBPLB-UHFFFAOYSA-N -1 1 343.379 3.763 20 0 EHADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])n2C)CCc2ccc(Cl)cc21 ZINC001594536579 986154269 /nfs/dbraw/zinc/15/42/69/986154269.db2.gz DUSODWGENCSOGN-LBPRGKRZSA-N -1 1 332.831 3.539 20 0 EHADMM C[C@H]1CSCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001594613569 986620885 /nfs/dbraw/zinc/62/08/85/986620885.db2.gz OHDSZAIBBVOBFV-GFCCVEGCSA-N -1 1 348.493 3.693 20 0 EHADMM CCOc1ccc2nc(SC[C@@H]3CCCC[C@@H]3C(=O)[O-])[nH]c2c1 ZINC001597145969 986909275 /nfs/dbraw/zinc/90/92/75/986909275.db2.gz QCFCXUOAOUCVJN-AAEUAGOBSA-N -1 1 334.441 3.945 20 0 EHADMM CCc1ccc2c(c1)CCN(Cc1cc(C(=O)[O-])ccc1OC)C2 ZINC001597568361 988324324 /nfs/dbraw/zinc/32/43/24/988324324.db2.gz CQEOTTCJZKSTMN-UHFFFAOYSA-N -1 1 325.408 3.514 20 0 EHADMM CCc1cccc(C)c1NC(=O)CN[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001597578365 988371789 /nfs/dbraw/zinc/37/17/89/988371789.db2.gz BNCNNASGYCHEMG-HXUWFJFHSA-N -1 1 346.471 3.509 20 0 EHADMM CC(C)(C)c1csc(C(=Cc2ccc3nc[nH]c3c2)C(=O)[O-])n1 ZINC001590527055 990139721 /nfs/dbraw/zinc/13/97/21/990139721.db2.gz 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C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])[C@@H](C)C1 ZINC000226204272 1120188004 /nfs/dbraw/zinc/18/80/04/1120188004.db2.gz CEZHKTQSKWJPAX-NRUUGDAUSA-N -1 1 326.234 3.709 20 0 EHADMM CC(C)CN(Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccccn1 ZINC001591344218 992329737 /nfs/dbraw/zinc/32/97/37/992329737.db2.gz RBEYQVQEOKEWIL-UHFFFAOYSA-N -1 1 341.455 3.576 20 0 EHADMM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1cc(F)cc(F)c1 ZINC001598498911 992402687 /nfs/dbraw/zinc/40/26/87/992402687.db2.gz WAMCIVPXNNETQV-DAXSKMNVSA-N -1 1 347.361 3.573 20 0 EHADMM CN(CCOc1ccccc1Cl)Cc1ccc(C(=O)[O-])cc1F ZINC001598499496 992414213 /nfs/dbraw/zinc/41/42/13/992414213.db2.gz ATTZMCKGHWTCOW-UHFFFAOYSA-N -1 1 337.778 3.688 20 0 EHADMM C[C@@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1cncc(C(=O)[O-])c1 ZINC001593208998 994232103 /nfs/dbraw/zinc/23/21/03/994232103.db2.gz GUYQWOYTVOSWPJ-BDJLRTHQSA-N -1 1 344.386 3.872 20 0 EHADMM C[C@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cncc(C(=O)[O-])c1 ZINC001593209001 994232620 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347.798 3.650 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC(C)(C)C)cc2)c1 ZINC000436515727 1025815441 /nfs/dbraw/zinc/81/54/41/1025815441.db2.gz STFQWDYQINLXAV-UHFFFAOYSA-N -1 1 343.379 3.608 20 0 EHADMM C[C@@H]1C[C@H]1[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000436518480 1025850029 /nfs/dbraw/zinc/85/00/29/1025850029.db2.gz YNDWJHNPDISZJR-LQAWEQHXSA-N -1 1 343.810 3.742 20 0 EHADMM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccccc1[O-] ZINC000436551495 1025858177 /nfs/dbraw/zinc/85/81/77/1025858177.db2.gz ZRMAUDNZFPLDGL-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](c2ccsc2)O1 ZINC000760141679 1025886571 /nfs/dbraw/zinc/88/65/71/1025886571.db2.gz VLFYLSXOHVOLIT-QMTHXVAHSA-N -1 1 337.828 3.709 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000436570637 1025900174 /nfs/dbraw/zinc/90/01/74/1025900174.db2.gz ADPOHZGBSGGCAK-HXUWFJFHSA-N -1 1 325.408 3.578 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2nc(-c3cnn(C)c3)cs2)c([O-])c1 ZINC000436592474 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EHADMM Cc1ccc2c(c1)CN(C(=O)c1ccc3ccccc3c1[O-])CCO2 ZINC000436659050 1026016765 /nfs/dbraw/zinc/01/67/65/1026016765.db2.gz PRNGVQGRSCRXMU-UHFFFAOYSA-N -1 1 333.387 3.889 20 0 EHADMM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1sccc1Cl ZINC000451489182 1026035680 /nfs/dbraw/zinc/03/56/80/1026035680.db2.gz CCJLKPARKLCGNE-HAQNSBGRSA-N -1 1 327.858 3.626 20 0 EHADMM CCCCOc1ccc(C(=O)N2CCc3cc(F)ccc32)c([O-])c1 ZINC000436684535 1026040796 /nfs/dbraw/zinc/04/07/96/1026040796.db2.gz BWHYMCVXWRGEHJ-UHFFFAOYSA-N -1 1 329.371 3.913 20 0 EHADMM C[C@@H](CC(=O)[N-]OCc1ccccn1)c1ccccc1C(F)(F)F ZINC000909535341 1026061965 /nfs/dbraw/zinc/06/19/65/1026061965.db2.gz LOSZBWYJPORXQQ-LBPRGKRZSA-N -1 1 338.329 3.842 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)(F)F)cc2)c1 ZINC000436724619 1026097833 /nfs/dbraw/zinc/09/78/33/1026097833.db2.gz OTWTWYOVDAAUMA-UHFFFAOYSA-N -1 1 335.306 3.543 20 0 EHADMM CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436723337 1026099890 /nfs/dbraw/zinc/09/98/90/1026099890.db2.gz 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O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc(-c2ccccc2Cl)on1 ZINC000273620388 1027523914 /nfs/dbraw/zinc/52/39/14/1027523914.db2.gz MQCHVLVVRAZGCR-UHFFFAOYSA-N -1 1 343.774 3.633 20 0 EHADMM CCOc1cc(-c2noc([C@]3(C)CCCCO3)n2)cc(Cl)c1[O-] ZINC000420490995 1027560199 /nfs/dbraw/zinc/56/01/99/1027560199.db2.gz GAUNQKLVXZZZMG-INIZCTEOSA-N -1 1 338.791 3.910 20 0 EHADMM CSCC(C)(C)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000503543094 1027859777 /nfs/dbraw/zinc/85/97/77/1027859777.db2.gz HJSAUIYFVLSVET-UHFFFAOYSA-N -1 1 329.878 3.541 20 0 EHADMM CCC[C@]1(C)CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078690726 1028097847 /nfs/dbraw/zinc/09/78/47/1028097847.db2.gz RNYKTQXOOLYMJF-HXUWFJFHSA-N -1 1 340.471 3.855 20 0 EHADMM CCCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCC[C@H](C)C1 ZINC000454269494 1028162653 /nfs/dbraw/zinc/16/26/53/1028162653.db2.gz VFOQJOKRVLCGSV-GJZGRUSLSA-N -1 1 341.455 3.744 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)cnc1N1CCCC[C@@H]1C ZINC000502410874 1028184234 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CCc1nc2ccccc2n1Cc1noc(-c2ccc([O-])cc2F)n1 ZINC000445387882 1028745667 /nfs/dbraw/zinc/74/56/67/1028745667.db2.gz YBFWKDMWMLXXQO-UHFFFAOYSA-N -1 1 338.342 3.542 20 0 EHADMM CCOc1cc(-c2noc(-c3cccc(O)c3)n2)cc(Cl)c1[O-] ZINC000445427897 1028771886 /nfs/dbraw/zinc/77/18/86/1028771886.db2.gz RDUNWRORHYFFMO-UHFFFAOYSA-N -1 1 332.743 3.867 20 0 EHADMM Cc1cn2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)sc2n1 ZINC000445449558 1028782281 /nfs/dbraw/zinc/78/22/81/1028782281.db2.gz VMIITIDUUWRFNX-UHFFFAOYSA-N -1 1 332.772 3.780 20 0 EHADMM CCN(Cc1ccccc1Cl)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075810908 1028794241 /nfs/dbraw/zinc/79/42/41/1028794241.db2.gz VXZJDUZZGKQTGR-UHFFFAOYSA-N -1 1 341.798 3.651 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc4c(c3)OCCCO4)n2)c(Cl)c1 ZINC000445442918 1028800102 /nfs/dbraw/zinc/80/01/02/1028800102.db2.gz AZCPCHXDOOWFGL-UHFFFAOYSA-N -1 1 344.754 3.924 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C\c3ccc4c(c3)OCO4)n2)c(Cl)c1 ZINC000445447641 1028806447 /nfs/dbraw/zinc/80/64/47/1028806447.db2.gz IOUIABJEHJYXCF-KXFIGUGUSA-N -1 1 342.738 3.995 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C/c3cnn(-c4ccccc4)c3)n2)c(F)c1 ZINC000445464093 1028809680 /nfs/dbraw/zinc/80/96/80/1028809680.db2.gz RYPASSNHKMFVOM-RMKNXTFCSA-N -1 1 348.337 3.937 20 0 EHADMM COc1ccc2nc(-c3nc(-c4ccc([O-])cc4F)no3)ccc2c1 ZINC000445459552 1028828011 /nfs/dbraw/zinc/82/80/11/1028828011.db2.gz CTFLPVMATGVPNR-UHFFFAOYSA-N -1 1 337.310 3.805 20 0 EHADMM COc1cc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)cc(OC)c1 ZINC000445477638 1028835338 /nfs/dbraw/zinc/83/53/38/1028835338.db2.gz OFZSYTQGWWOYLM-UTCJRWHESA-N -1 1 342.326 3.769 20 0 EHADMM C[C@H]1CCCN(Cc2ccc(Br)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000424420399 1029044732 /nfs/dbraw/zinc/04/47/32/1029044732.db2.gz QLVSTMLMJVWTOF-ZANVPECISA-N -1 1 346.652 3.788 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(F)c(Br)c1 ZINC000050924897 1029612450 /nfs/dbraw/zinc/61/24/50/1029612450.db2.gz LMOIDVLMSQSYTJ-LBPRGKRZSA-N -1 1 344.224 3.808 20 0 EHADMM Cc1ccccc1[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 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1040024717 /nfs/dbraw/zinc/02/47/17/1040024717.db2.gz OQBSJLLZADCCPV-ZDUSSCGKSA-N -1 1 327.302 3.918 20 0 EHADMM O=C([O-])C[C@@H](CNCc1ccc(Oc2ccccc2)o1)C(F)(F)F ZINC000417618881 1040070537 /nfs/dbraw/zinc/07/05/37/1040070537.db2.gz DNBPYHDATCANQM-NSHDSACASA-N -1 1 343.301 3.815 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(F)c(F)c2F)CC1 ZINC000667493409 1040258646 /nfs/dbraw/zinc/25/86/46/1040258646.db2.gz QWJHXIHATDOVFU-UHFFFAOYSA-N -1 1 349.352 3.904 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1F ZINC000479569661 1040367111 /nfs/dbraw/zinc/36/71/11/1040367111.db2.gz MJASCYZYOHQQPS-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC12CCSCC2 ZINC000908708642 1040604780 /nfs/dbraw/zinc/60/47/80/1040604780.db2.gz YZIFWUIDZBDNLL-VIFPVBQESA-N -1 1 342.258 3.627 20 0 EHADMM C[C@@H](CC(=O)Nc1cccc([O-])c1Br)C(F)(F)F ZINC000908716309 1040610042 /nfs/dbraw/zinc/61/00/42/1040610042.db2.gz DEMOQXZEBNNXGF-LURJTMIESA-N -1 1 326.112 3.682 20 0 EHADMM O=C(CC(F)(F)C(F)(F)F)Nc1cccc([O-])c1Br ZINC000908717637 1040612342 /nfs/dbraw/zinc/61/23/42/1040612342.db2.gz MCFHXPJXBKBVKZ-UHFFFAOYSA-N -1 1 348.065 3.681 20 0 EHADMM COc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)c(OCC2CC2)c1 ZINC000909985976 1041098818 /nfs/dbraw/zinc/09/88/18/1041098818.db2.gz VVOJDBRDUQBQOW-UHFFFAOYSA-N -1 1 349.333 3.720 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1c(Cl)cccc1Cl ZINC000429912257 1041153438 /nfs/dbraw/zinc/15/34/38/1041153438.db2.gz VPSQYUACBSUOGH-MRVPVSSYSA-N -1 1 344.210 3.707 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@@H](C)S1 ZINC000576166445 1041188894 /nfs/dbraw/zinc/18/88/94/1041188894.db2.gz PLHMYGDADSZPAE-KKFJDGPESA-N -1 1 334.268 3.945 20 0 EHADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ncoc1C1CC1 ZINC000555870561 1041258421 /nfs/dbraw/zinc/25/84/21/1041258421.db2.gz CDVYWVLLSPMVCP-UHFFFAOYSA-N -1 1 332.429 3.779 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)s1 ZINC000041689100 1042787569 /nfs/dbraw/zinc/78/75/69/1042787569.db2.gz SYSSSHDQXUYBON-UHFFFAOYSA-N -1 1 333.413 3.553 20 0 EHADMM CCCCN1Cc2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2C1 ZINC000066965809 1042896162 /nfs/dbraw/zinc/89/61/62/1042896162.db2.gz ARBXMYFECIBVIJ-UHFFFAOYSA-N -1 1 332.444 3.632 20 0 EHADMM O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc([O-])c(Cl)c1 ZINC000111668054 1042994177 /nfs/dbraw/zinc/99/41/77/1042994177.db2.gz BCTFWZARGQDHDK-UHFFFAOYSA-N -1 1 349.799 3.728 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c1 ZINC000028195747 1043050743 /nfs/dbraw/zinc/05/07/43/1043050743.db2.gz RGFUIXQQPQMKBB-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM O=C(c1ncccc1[O-])N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000153306152 1043840081 /nfs/dbraw/zinc/84/00/81/1043840081.db2.gz FIEGHWDVPCJWTM-HBWSCVEGSA-N -1 1 328.437 3.947 20 0 EHADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000344444253 1044004108 /nfs/dbraw/zinc/00/41/08/1044004108.db2.gz YHASAPSMANXUTB-UHFFFAOYSA-N -1 1 329.372 3.580 20 0 EHADMM CSc1ccsc1C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000337476312 1044247340 /nfs/dbraw/zinc/24/73/40/1044247340.db2.gz YOLWMYJTRCWVHJ-UHFFFAOYSA-N -1 1 335.479 3.904 20 0 EHADMM COC(=O)c1c[n-]c(SCc2nc(-c3ccccc3)cs2)n1 ZINC000432662803 1044633454 /nfs/dbraw/zinc/63/34/54/1044633454.db2.gz BCXCTMMKMQYIOU-UHFFFAOYSA-N -1 1 331.422 3.612 20 0 EHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccccc2Br)n1 ZINC000432679909 1044775379 /nfs/dbraw/zinc/77/53/79/1044775379.db2.gz WSYTVSVXVJUHBV-QMMMGPOBSA-N -1 1 341.230 3.812 20 0 EHADMM C[C@@H](Cc1cccc(F)c1)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000620525627 1125594928 /nfs/dbraw/zinc/59/49/28/1125594928.db2.gz VMWGZORNGMQHOQ-NSHDSACASA-N -1 1 329.400 3.517 20 0 EHADMM CCOCc1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000153725066 1125653977 /nfs/dbraw/zinc/65/39/77/1125653977.db2.gz FXFNHSCRUBCZSP-UHFFFAOYSA-N -1 1 335.787 3.843 20 0 EHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)n[nH]1 ZINC000154103944 1125692784 /nfs/dbraw/zinc/69/27/84/1125692784.db2.gz UUHCCQLWVKEASA-JTQLQIEISA-N -1 1 343.399 3.533 20 0 EHADMM COc1cc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)cs2)on1 ZINC000154571608 1125732316 /nfs/dbraw/zinc/73/23/16/1125732316.db2.gz CFKMADDEGOBYDE-UHFFFAOYSA-N -1 1 347.421 3.781 20 0 EHADMM CC(C)[C@@H](NC(=O)c1ccc([O-])cc1F)c1nc2ccccc2[nH]1 ZINC000154796295 1125755981 /nfs/dbraw/zinc/75/59/81/1125755981.db2.gz ZZUKAWILYWGIOG-MRXNPFEDSA-N -1 1 327.359 3.535 20 0 EHADMM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000779486902 1126109457 /nfs/dbraw/zinc/10/94/57/1126109457.db2.gz WPVOXRCBMKPZAC-SFHVURJKSA-N -1 1 339.366 3.871 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2sc(Cl)cc2C1 ZINC000622735775 1126754771 /nfs/dbraw/zinc/75/47/71/1126754771.db2.gz DVNVGWZCGWEFAE-UHFFFAOYSA-N -1 1 329.755 3.584 20 0 EHADMM O=C([O-])c1coc(CNCc2cccc(OCc3ccccc3)c2)c1 ZINC000336793721 1126810915 /nfs/dbraw/zinc/81/09/15/1126810915.db2.gz YBXZIHZVVBXWOW-UHFFFAOYSA-N -1 1 337.375 3.847 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cccc4[nH]ccc43)no2)c1 ZINC000350575807 1127087734 /nfs/dbraw/zinc/08/77/34/1127087734.db2.gz RZOFIWSAXPBALS-UHFFFAOYSA-N -1 1 334.335 3.549 20 0 EHADMM CCOc1cc(-c2nc([C@@H]3CCOC[C@H]3C)no2)cc(Cl)c1[O-] ZINC000350604884 1127091728 /nfs/dbraw/zinc/09/17/28/1127091728.db2.gz XGYQZGYPLONDAU-MWLCHTKSSA-N -1 1 338.791 3.634 20 0 EHADMM CCOc1cc(-c2noc([C@H]3CCC[C@@H](O)C3)n2)cc(Cl)c1[O-] ZINC000350611914 1127092491 /nfs/dbraw/zinc/09/24/91/1127092491.db2.gz PLNBRVGFBQOITF-GXSJLCMTSA-N -1 1 338.791 3.513 20 0 EHADMM Cc1nnc(-c2ccccc2-c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000350842884 1127107399 /nfs/dbraw/zinc/10/73/99/1127107399.db2.gz PVVBFYUXOSYBRD-UHFFFAOYSA-N -1 1 338.298 3.607 20 0 EHADMM Cc1nc(COC(C)(C)C)oc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000351523598 1127180204 /nfs/dbraw/zinc/18/02/04/1127180204.db2.gz VMVGEJXGZBGHEX-UHFFFAOYSA-N -1 1 347.346 3.860 20 0 EHADMM CCc1ncc(C(=O)Nc2cc(C)cc(Br)c2[O-])s1 ZINC000182904682 1127353729 /nfs/dbraw/zinc/35/37/29/1127353729.db2.gz APNLPMOLNJQDCK-UHFFFAOYSA-N -1 1 341.230 3.734 20 0 EHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000184034651 1127393020 /nfs/dbraw/zinc/39/30/20/1127393020.db2.gz XYPJXJPDMOVWAW-LBPRGKRZSA-N -1 1 349.477 3.674 20 0 EHADMM O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1[O-] ZINC000021954040 1127686243 /nfs/dbraw/zinc/68/62/43/1127686243.db2.gz JSYCATJBRHUODK-UHFFFAOYSA-N -1 1 343.433 3.788 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2o1 ZINC000077704496 1127877533 /nfs/dbraw/zinc/87/75/33/1127877533.db2.gz KJLIIIVUOMNVNJ-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM Cc1c2cccc(C)c2oc1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637986 1128222867 /nfs/dbraw/zinc/22/28/67/1128222867.db2.gz GCIQYFLDBGQSOS-UHFFFAOYSA-N -1 1 342.424 3.569 20 0 EHADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000068454082 1128267539 /nfs/dbraw/zinc/26/75/39/1128267539.db2.gz JSOHOLPVQHZJHE-UHFFFAOYSA-N -1 1 344.484 3.597 20 0 EHADMM CSc1cc2c(cc1[N-]C(=O)c1cc(C(C)C)no1)OCCO2 ZINC000070815994 1128296102 /nfs/dbraw/zinc/29/61/02/1128296102.db2.gz ZQIWFMZRFOOMIP-UHFFFAOYSA-N -1 1 334.397 3.543 20 0 EHADMM O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000073648152 1128326336 /nfs/dbraw/zinc/32/63/36/1128326336.db2.gz XNUXCWLUCCPEKG-UHFFFAOYSA-N -1 1 337.364 3.528 20 0 EHADMM Cc1c(N[C@H](C)c2cc(Br)cc(F)c2[O-])cnn1C ZINC000186369128 1128409541 /nfs/dbraw/zinc/40/95/41/1128409541.db2.gz CJWQUSZGDIPFFV-SSDOTTSWSA-N -1 1 328.185 3.509 20 0 EHADMM Cc1ccc(-c2csc3[n-]c(-c4cnccn4)nc(=O)c23)c(C)c1 ZINC000054753223 1128485550 /nfs/dbraw/zinc/48/55/50/1128485550.db2.gz QRGINLZEEOUYNY-UHFFFAOYSA-N -1 1 334.404 3.725 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000055595180 1128524707 /nfs/dbraw/zinc/52/47/07/1128524707.db2.gz IPHSOVLAALEGON-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1 ZINC000055638346 1128525798 /nfs/dbraw/zinc/52/57/98/1128525798.db2.gz GGPWZWJSBXUVHJ-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM O=C([N-]c1ccc(F)nc1F)c1sc(Cl)nc1C(F)(F)F ZINC001128086359 1128532675 /nfs/dbraw/zinc/53/26/75/1128532675.db2.gz FXSANFBYWODRHH-UHFFFAOYSA-N -1 1 343.664 3.741 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)s1 ZINC000542755081 1128575775 /nfs/dbraw/zinc/57/57/75/1128575775.db2.gz HHIGDMINRWSJJR-SNVBAGLBSA-N -1 1 329.409 3.566 20 0 EHADMM O=S(=O)([N-][C@H]1CCSC2(CCC2)C1)c1cc2ccccc2o1 ZINC000921718776 1128664546 /nfs/dbraw/zinc/66/45/46/1128664546.db2.gz HCPFSKQCGORYMV-ZDUSSCGKSA-N -1 1 337.466 3.529 20 0 EHADMM CCN1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001648994630 1120338609 /nfs/dbraw/zinc/33/86/09/1120338609.db2.gz XVOUEKKNWCTJSM-OAHLLOKOSA-N -1 1 344.842 3.537 20 0 EHADMM CSc1ccc(Cl)cc1[N-]C(=O)c1csc(NC(C)=O)n1 ZINC000064492635 1120463177 /nfs/dbraw/zinc/46/31/77/1120463177.db2.gz VUXZXSVCDPDOPY-UHFFFAOYSA-N -1 1 341.845 3.729 20 0 EHADMM CC(C)[C@@H]1CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494399992 1120550447 /nfs/dbraw/zinc/55/04/47/1120550447.db2.gz QFOGHRUHBRTUFG-AWEZNQCLSA-N -1 1 334.416 3.610 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C(C)(C)C1 ZINC000494466654 1120564845 /nfs/dbraw/zinc/56/48/45/1120564845.db2.gz BRGVNLDBAMEULC-GFCCVEGCSA-N -1 1 348.443 4.000 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)cc1C ZINC000190390329 1120636241 /nfs/dbraw/zinc/63/62/41/1120636241.db2.gz SEXZQLXTCBYCED-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM CCOc1cc(C(=O)NCCOc2cccc(C)c2)cc(Cl)c1[O-] ZINC000193991490 1120815048 /nfs/dbraw/zinc/81/50/48/1120815048.db2.gz CVQCIJIZOACWDQ-UHFFFAOYSA-N -1 1 349.814 3.562 20 0 EHADMM CCC[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000230637075 1121005064 /nfs/dbraw/zinc/00/50/64/1121005064.db2.gz BPUJGXKISVXOEC-GFCCVEGCSA-N -1 1 326.234 3.950 20 0 EHADMM COc1cc2nc(-c3oc4ccccc4c3C)[n-]c(=O)c2cc1OC ZINC000193907087 1121731928 /nfs/dbraw/zinc/73/19/28/1121731928.db2.gz WHPSSPCDJWWDNU-UHFFFAOYSA-N -1 1 336.347 3.662 20 0 EHADMM O=C(c1cc(F)cc(Nc2ccnc(Cl)c2[O-])c1)N1CCCCC1 ZINC001212209872 1121737008 /nfs/dbraw/zinc/73/70/08/1121737008.db2.gz WVWZGSUYQGWZFW-UHFFFAOYSA-N -1 1 349.793 3.949 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1F ZINC000055598373 1121844393 /nfs/dbraw/zinc/84/43/93/1121844393.db2.gz JFVVIMBGMGBBJB-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM CCC1(C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000496219843 1122016005 /nfs/dbraw/zinc/01/60/05/1122016005.db2.gz ZWNAMRQUCXLCII-UHFFFAOYSA-N -1 1 334.416 3.611 20 0 EHADMM CCNC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000126428763 1122405303 /nfs/dbraw/zinc/40/53/03/1122405303.db2.gz ZRYAMBNLJRUVLZ-UHFFFAOYSA-N -1 1 334.375 3.547 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2cc(Br)ccc2Cl)C1 ZINC000226418424 1122520270 /nfs/dbraw/zinc/52/02/70/1122520270.db2.gz BUALVTHVZBBBIX-SNVBAGLBSA-N -1 1 346.652 3.789 20 0 EHADMM CCc1cc2c(CN(C)c3ccccc3OC)cc(=O)oc2cc1[O-] ZINC000917161345 1122541125 /nfs/dbraw/zinc/54/11/25/1122541125.db2.gz SOVBOTZZOLZEHR-UHFFFAOYSA-N -1 1 339.391 3.706 20 0 EHADMM O=C(Nc1cccc(COc2ccccc2)c1)c1ccc(O)cc1[O-] ZINC000917854758 1122697086 /nfs/dbraw/zinc/69/70/86/1122697086.db2.gz IRAJFQMQTBOZJS-UHFFFAOYSA-N -1 1 335.359 3.929 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497958121 1122713084 /nfs/dbraw/zinc/71/30/84/1122713084.db2.gz IQNINDXYJNVWTM-UHFFFAOYSA-N -1 1 335.400 3.724 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000132763336 1123297664 /nfs/dbraw/zinc/29/76/64/1123297664.db2.gz HVMDUPDIRBHHIT-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CCOc1cc(-c2nc3ccc(C)cc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000077257284 1123541700 /nfs/dbraw/zinc/54/17/00/1123541700.db2.gz SSZVWZNHCZBFHS-UHFFFAOYSA-N -1 1 330.771 3.656 20 0 EHADMM Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1C ZINC000080003394 1123733666 /nfs/dbraw/zinc/73/36/66/1123733666.db2.gz GECLDPPWWZAJCH-UHFFFAOYSA-N -1 1 343.398 3.832 20 0 EHADMM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1cc(Cl)sc1Cl ZINC000615299296 1123779091 /nfs/dbraw/zinc/77/90/91/1123779091.db2.gz LLZGFGRSDOQDFQ-SECBINFHSA-N -1 1 348.276 3.673 20 0 EHADMM CC(C)CCc1nnc(NCc2cccc(Br)c2[O-])o1 ZINC000181782930 1125038665 /nfs/dbraw/zinc/03/86/65/1125038665.db2.gz GJDQDCOFQAFTPS-UHFFFAOYSA-N -1 1 340.221 3.738 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000181967464 1125098050 /nfs/dbraw/zinc/09/80/50/1125098050.db2.gz HCLQEXSUHXYJFK-FHSNZYRGSA-N -1 1 329.371 3.522 20 0 EHADMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C12CCC2 ZINC000619100691 1125281304 /nfs/dbraw/zinc/28/13/04/1125281304.db2.gz CIZILRGCYOATOF-OLZOCXBDSA-N -1 1 339.382 3.527 20 0 EHADMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000499742907 1129443031 /nfs/dbraw/zinc/44/30/31/1129443031.db2.gz NXIVBRNYFUIVOB-KWQFWETISA-N -1 1 341.782 3.826 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1sccc1F ZINC000338853561 1129524727 /nfs/dbraw/zinc/52/47/27/1129524727.db2.gz ZJBQITISKDWWMO-CQSZACIVSA-N -1 1 337.397 3.548 20 0 EHADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)CC2 ZINC000673837244 1129881459 /nfs/dbraw/zinc/88/14/59/1129881459.db2.gz GSDDJRDAPNYXHP-HNNXBMFYSA-N -1 1 339.439 3.514 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000673981381 1129932733 /nfs/dbraw/zinc/93/27/33/1129932733.db2.gz DNGDRNFXLVFLHI-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc(F)c(F)c1F ZINC000674287070 1130053127 /nfs/dbraw/zinc/05/31/27/1130053127.db2.gz QJBQIRQGABBPDB-UHFFFAOYSA-N -1 1 349.337 3.799 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(Oc2cccc(F)c2)CC1 ZINC000529619295 1130061299 /nfs/dbraw/zinc/06/12/99/1130061299.db2.gz BNZGIIFUOHWRQZ-UHFFFAOYSA-N -1 1 349.789 3.868 20 0 EHADMM COc1cc(F)c(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c(F)c1 ZINC000675549838 1130426125 /nfs/dbraw/zinc/42/61/25/1130426125.db2.gz WBHJXGSXLBXJCQ-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM COc1ccccc1-c1nc(C(=O)Nc2ccc(F)cc2[O-])cs1 ZINC000676056205 1130520325 /nfs/dbraw/zinc/52/03/25/1130520325.db2.gz VBAZOKIJXMWASC-UHFFFAOYSA-N -1 1 344.367 3.916 20 0 EHADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc(C(F)F)c3)ccc12 ZINC000780397527 1130620345 /nfs/dbraw/zinc/62/03/45/1130620345.db2.gz MMYUDJFLMZKTSE-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(C(F)F)c3)ccc12 ZINC000780397527 1130620349 /nfs/dbraw/zinc/62/03/49/1130620349.db2.gz MMYUDJFLMZKTSE-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM Cc1ccnn1-c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000732308859 1130908940 /nfs/dbraw/zinc/90/89/40/1130908940.db2.gz FMBDHAYKAMCNQY-UHFFFAOYSA-N -1 1 327.771 3.792 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](c2ccccc2)C2CC2)c1 ZINC000766206410 1131193440 /nfs/dbraw/zinc/19/34/40/1131193440.db2.gz WHBMUVCLGQQFKZ-HXUWFJFHSA-N -1 1 338.403 3.874 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2ccc(Cl)c(F)c2Cl)no1 ZINC001212721188 1132053895 /nfs/dbraw/zinc/05/38/95/1132053895.db2.gz CGMCDNZUETZLTP-UHFFFAOYSA-N -1 1 326.114 3.950 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C/Sc2ccccc2)c1 ZINC000744519639 1132116233 /nfs/dbraw/zinc/11/62/33/1132116233.db2.gz AXBVPQODOXDZIY-ZRDIBKRKSA-N -1 1 342.416 3.987 20 0 EHADMM CC[C@H](Cc1ccccc1)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000745008085 1132176067 /nfs/dbraw/zinc/17/60/67/1132176067.db2.gz ADCGRPKDBUWJGI-QGZVFWFLSA-N -1 1 340.419 3.949 20 0 EHADMM O=C(NCc1ccco1)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174200629 1132281444 /nfs/dbraw/zinc/28/14/44/1132281444.db2.gz QEYDPFXRLMSKGE-UHFFFAOYSA-N -1 1 343.770 3.707 20 0 EHADMM COc1cc(Nc2cc(Cl)c(C)c(Cl)c2[O-])c(OC)nn1 ZINC001174352983 1132311402 /nfs/dbraw/zinc/31/14/02/1132311402.db2.gz BEJONJRULLYGFF-UHFFFAOYSA-N -1 1 330.171 3.558 20 0 EHADMM [O-]c1c(Br)ccc(Cl)c1Nc1ccc2ncnn2c1 ZINC001174376390 1132341141 /nfs/dbraw/zinc/34/11/41/1132341141.db2.gz WABCEAKBDMGXAL-UHFFFAOYSA-N -1 1 339.580 3.594 20 0 EHADMM COC(=O)[N-]C(=S)N(c1cccc2[nH]ccc21)c1ccccc1N ZINC001174652587 1132439142 /nfs/dbraw/zinc/43/91/42/1132439142.db2.gz JJPGPFPELRUPQS-UHFFFAOYSA-N -1 1 340.408 3.529 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(F)c1 ZINC001175208918 1132595047 /nfs/dbraw/zinc/59/50/47/1132595047.db2.gz YDRBQDAGRZCQPD-UHFFFAOYSA-N -1 1 342.395 3.876 20 0 EHADMM Cn1cc2cc(Nc3ccc(F)c(Br)c3[O-])ccc2n1 ZINC001175624483 1132716500 /nfs/dbraw/zinc/71/65/00/1132716500.db2.gz YKXWYHJDHCIEKQ-UHFFFAOYSA-N -1 1 336.164 3.924 20 0 EHADMM CCOc1ccc(Nc2ccc(F)c(Br)c2[O-])cn1 ZINC001175743813 1132751190 /nfs/dbraw/zinc/75/11/90/1132751190.db2.gz JQOFOZUSXHXJCS-UHFFFAOYSA-N -1 1 327.153 3.831 20 0 EHADMM O=c1cc(CNc2[nH]ccc3nc(-c4ccccc4Cl)nc2-3)o[n-]1 ZINC001169482897 1132765142 /nfs/dbraw/zinc/76/51/42/1132765142.db2.gz WYTLPZWYZRJGTL-UHFFFAOYSA-N -1 1 341.758 3.584 20 0 EHADMM O=c1oc2cc([O-])ccc2cc1Nc1cnn(C2CCCCC2)c1 ZINC001175879021 1132779251 /nfs/dbraw/zinc/77/92/51/1132779251.db2.gz ORPGEEHRTZTIJQ-UHFFFAOYSA-N -1 1 325.368 3.944 20 0 EHADMM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)[N-]OCC(F)(F)F ZINC000766766361 1132798474 /nfs/dbraw/zinc/79/84/74/1132798474.db2.gz XNFDTXPJPPPRCK-UHFFFAOYSA-N -1 1 348.708 3.538 20 0 EHADMM O=c1oc2cc([O-])ccc2cc1Nc1cnn(Cc2cccs2)c1 ZINC001176159945 1132868725 /nfs/dbraw/zinc/86/87/25/1132868725.db2.gz JNQXSMRTGGSOKU-UHFFFAOYSA-N -1 1 339.376 3.549 20 0 EHADMM CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)C(F)(F)F ZINC000767108077 1132945630 /nfs/dbraw/zinc/94/56/30/1132945630.db2.gz UOSLAJOBWVTHSR-CABZTGNLSA-N -1 1 339.304 3.880 20 0 EHADMM Cc1nc2ccc(F)cn2c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176586386 1132960806 /nfs/dbraw/zinc/96/08/06/1132960806.db2.gz GDPRNGJDTLNJEG-UHFFFAOYSA-N -1 1 325.343 3.642 20 0 EHADMM CC(C)(C)c1cnn2cc(Nc3c(F)cc(F)c([O-])c3F)cnc12 ZINC001176670176 1132978332 /nfs/dbraw/zinc/97/83/32/1132978332.db2.gz UECZHXKLPJWNSQ-UHFFFAOYSA-N -1 1 336.317 3.893 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccc3nc(C4CCC4)nn3c2)c1F ZINC001176669018 1132979074 /nfs/dbraw/zinc/97/90/74/1132979074.db2.gz BVYISAVENMTQRY-UHFFFAOYSA-N -1 1 334.301 3.863 20 0 EHADMM COC(=O)c1ccc(Cl)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176669794 1132979118 /nfs/dbraw/zinc/97/91/18/1132979118.db2.gz KSYMNIDZBSZGGR-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1N1CCOCC1 ZINC001176671744 1132979869 /nfs/dbraw/zinc/97/98/69/1132979869.db2.gz NEPXYPCLRHGGJQ-UHFFFAOYSA-N -1 1 338.329 3.698 20 0 EHADMM COC(=O)c1cc(F)c(Nc2c(F)cc(F)c([O-])c2F)c(C)c1F ZINC001176674882 1132980737 /nfs/dbraw/zinc/98/07/37/1132980737.db2.gz ZXRRDDGRBJVIHB-UHFFFAOYSA-N -1 1 347.239 3.926 20 0 EHADMM CC(=O)N1CC2(CC2)c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc21 ZINC001176673708 1132980774 /nfs/dbraw/zinc/98/07/74/1132980774.db2.gz XBQQFZRJXRVHQZ-UHFFFAOYSA-N -1 1 348.324 3.951 20 0 EHADMM COC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)c(F)c1F ZINC001176673834 1132980837 /nfs/dbraw/zinc/98/08/37/1132980837.db2.gz NVPYWCRAIORPCH-UHFFFAOYSA-N -1 1 333.212 3.618 20 0 EHADMM COCCNc1cccc(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176674828 1132980850 /nfs/dbraw/zinc/98/08/50/1132980850.db2.gz XITIDNNQXPZXFR-UHFFFAOYSA-N -1 1 330.281 3.751 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)cc2Cl)c1 ZINC001176653304 1132985509 /nfs/dbraw/zinc/98/55/09/1132985509.db2.gz UOHXLBVMOWAKMR-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM O=c1[nH]cc(-c2ccccn2)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176662956 1132987383 /nfs/dbraw/zinc/98/73/83/1132987383.db2.gz FEBDCJOAFWWMSY-UHFFFAOYSA-N -1 1 333.269 3.716 20 0 EHADMM C/C(=C\c1c(Cl)cccc1Cl)C(=O)[N-]O[C@H]1CCCCO1 ZINC000767930985 1133072258 /nfs/dbraw/zinc/07/22/58/1133072258.db2.gz HYQRBOGVNZYPCT-HBWSCVEGSA-N -1 1 330.211 3.971 20 0 EHADMM Cc1c[nH]c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001177588090 1133084182 /nfs/dbraw/zinc/08/41/82/1133084182.db2.gz MAEUGWSHXYYYSN-UHFFFAOYSA-N -1 1 326.318 3.927 20 0 EHADMM CCc1ccc(C(=O)N(Cc2cnn(C)c2)c2ccc(C)cc2)c([O-])c1 ZINC001177596633 1133084826 /nfs/dbraw/zinc/08/48/26/1133084826.db2.gz SZXWSDAKCSLGBG-UHFFFAOYSA-N -1 1 349.434 3.844 20 0 EHADMM Cc1cccnc1C(F)(F)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660288 1133267824 /nfs/dbraw/zinc/26/78/24/1133267824.db2.gz OARAOBAVKUZALE-UHFFFAOYSA-N -1 1 330.693 3.619 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1c(Cl)nc2ccccn21 ZINC001179657006 1133267835 /nfs/dbraw/zinc/26/78/35/1133267835.db2.gz ZCJNCPXIMDXABT-UHFFFAOYSA-N -1 1 340.141 3.738 20 0 EHADMM Cc1c2ccccc2c(=O)[nH]c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660512 1133268658 /nfs/dbraw/zinc/26/86/58/1133268658.db2.gz UWCGAHLYSFZEHU-UHFFFAOYSA-N -1 1 346.745 3.999 20 0 EHADMM Cc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])cn1 ZINC000770043596 1133381848 /nfs/dbraw/zinc/38/18/48/1133381848.db2.gz YCBMOEADSYNDIQ-UHFFFAOYSA-N -1 1 343.383 3.695 20 0 EHADMM Cc1ccc(C(C)(C)C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001180605436 1133398535 /nfs/dbraw/zinc/39/85/35/1133398535.db2.gz VPKAYHICUXHRIF-UHFFFAOYSA-N -1 1 335.407 3.803 20 0 EHADMM Cc1c(C)c(Nc2cc(S(C)(=O)=O)ccc2[O-])ccc1Cl ZINC001250045889 1133629074 /nfs/dbraw/zinc/62/90/74/1133629074.db2.gz NAYWQPLEMIJERQ-UHFFFAOYSA-N -1 1 325.817 3.810 20 0 EHADMM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1sccc1Cl ZINC001184545547 1133952086 /nfs/dbraw/zinc/95/20/86/1133952086.db2.gz URDOVRKSHGGRKI-NSHDSACASA-N -1 1 329.874 3.701 20 0 EHADMM C[C@@H]1C[C@@H]1c1ncc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cn1 ZINC001185146768 1134036345 /nfs/dbraw/zinc/03/63/45/1134036345.db2.gz XEQPLLOOVHSXKM-SCZZXKLOSA-N -1 1 337.301 3.577 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccsc2)cc1C(F)(F)F ZINC001185383184 1134075946 /nfs/dbraw/zinc/07/59/46/1134075946.db2.gz XQTDPWSEBUSNHT-UHFFFAOYSA-N -1 1 337.344 3.576 20 0 EHADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)n1 ZINC001185496785 1134098889 /nfs/dbraw/zinc/09/88/89/1134098889.db2.gz PPOUOHJSSULOGD-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)O)cc2)ccc1Cl ZINC001185524565 1134103269 /nfs/dbraw/zinc/10/32/69/1134103269.db2.gz JSBMKIQZQWNJKC-NSHDSACASA-N -1 1 325.817 3.503 20 0 EHADMM Cc1ccnc2cc([N-]S(=O)(=O)c3cccc(F)c3C)ccc12 ZINC001185836501 1134139290 /nfs/dbraw/zinc/13/92/90/1134139290.db2.gz ONWAFKJEZSQKGE-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM COc1ccccc1CNC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001186143925 1134174465 /nfs/dbraw/zinc/17/44/65/1134174465.db2.gz QYCYJTVJWQNPLA-UHFFFAOYSA-N -1 1 340.301 3.741 20 0 EHADMM COc1ccc(-c2ccccc2NC(=O)c2ccc([O-])cc2F)nc1 ZINC001186328745 1134196168 /nfs/dbraw/zinc/19/61/68/1134196168.db2.gz HIGPYPPCXNWOLB-UHFFFAOYSA-N -1 1 338.338 3.854 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001186326346 1134196182 /nfs/dbraw/zinc/19/61/82/1134196182.db2.gz AMYFAJPFFXECPN-OAHLLOKOSA-N -1 1 335.325 3.796 20 0 EHADMM C[C@H](NC(=O)Nc1cc2ccc([O-])cc2oc1=O)C1CCCCC1 ZINC001186370143 1134203171 /nfs/dbraw/zinc/20/31/71/1134203171.db2.gz HAEADIMKAJAWNH-NSHDSACASA-N -1 1 330.384 3.589 20 0 EHADMM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc([O-])cc2F)ccc1F ZINC001186329986 1134203451 /nfs/dbraw/zinc/20/34/51/1134203451.db2.gz ZNSBUQKHHJXODA-UHFFFAOYSA-N -1 1 349.333 3.878 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)N[C@@H]1CCCc2ccccc21 ZINC001186423917 1134216821 /nfs/dbraw/zinc/21/68/21/1134216821.db2.gz IRSZQAFPBWHPOB-QGZVFWFLSA-N -1 1 348.406 3.777 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1F ZINC001187207263 1134315298 /nfs/dbraw/zinc/31/52/98/1134315298.db2.gz XLRLBIIZFVJXMJ-UHFFFAOYSA-N -1 1 325.430 3.875 20 0 EHADMM Cc1cc(F)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1O ZINC001187215203 1134315864 /nfs/dbraw/zinc/31/58/64/1134315864.db2.gz KVHKTOULGCWNOB-UHFFFAOYSA-N -1 1 341.429 3.581 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(Oc2cccnc2)cc1 ZINC001188847460 1134516988 /nfs/dbraw/zinc/51/69/88/1134516988.db2.gz UHWWEPKKMIIZON-UHFFFAOYSA-N -1 1 344.367 3.814 20 0 EHADMM CCCCCc1ccc(C(=O)Nc2nc(C(=O)OCC)c[n-]2)cc1 ZINC001189183223 1134549407 /nfs/dbraw/zinc/54/94/07/1134549407.db2.gz DCOSUPYMKAJUCO-UHFFFAOYSA-N -1 1 329.400 3.571 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cccc(C(C)C)c1 ZINC000775227204 1134555011 /nfs/dbraw/zinc/55/50/11/1134555011.db2.gz WNUZUFHMWDOEQT-UHFFFAOYSA-N -1 1 327.428 3.667 20 0 EHADMM O=S(=O)(Cc1cccc(F)c1F)[N-]c1csc2cnccc12 ZINC001189425503 1134585638 /nfs/dbraw/zinc/58/56/38/1134585638.db2.gz HGVSBENSPGHQPP-UHFFFAOYSA-N -1 1 340.376 3.516 20 0 EHADMM CCOc1ccc(C)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189823074 1134630489 /nfs/dbraw/zinc/63/04/89/1134630489.db2.gz CZKTXANGSZKWMM-UHFFFAOYSA-N -1 1 341.379 3.614 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(OC)ncc2C)cc1 ZINC001190432267 1134699657 /nfs/dbraw/zinc/69/96/57/1134699657.db2.gz SRZPUWZNYLHZNC-UHFFFAOYSA-N -1 1 348.468 3.887 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cccc(OCOC)c2)cc1 ZINC001191253321 1134825050 /nfs/dbraw/zinc/82/50/50/1134825050.db2.gz MIQPKTAVMVVBJS-UHFFFAOYSA-N -1 1 349.452 3.813 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1 ZINC001191248445 1134836991 /nfs/dbraw/zinc/83/69/91/1134836991.db2.gz BLHWHIAAPYPRTN-UHFFFAOYSA-N -1 1 337.416 3.978 20 0 EHADMM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191855349 1134928474 /nfs/dbraw/zinc/92/84/74/1134928474.db2.gz HTTNZHSBVOURTI-UHFFFAOYSA-N -1 1 342.823 3.687 20 0 EHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1cc([O-])c(F)cc1F ZINC001192176442 1134981910 /nfs/dbraw/zinc/98/19/10/1134981910.db2.gz LUVWZLKWDDNHJL-UHFFFAOYSA-N -1 1 330.237 3.916 20 0 EHADMM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(-n2cccc2)cc1 ZINC001192308081 1134996076 /nfs/dbraw/zinc/99/60/76/1134996076.db2.gz FWNOUXKYXGFFQT-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM Cc1nc(SC(F)F)sc1CC(=O)[N-]OC1CCCCC1 ZINC000793883140 1134999066 /nfs/dbraw/zinc/99/90/66/1134999066.db2.gz CISQAVLCICFEQX-UHFFFAOYSA-N -1 1 336.429 3.689 20 0 EHADMM CC(=O)Nc1ccc(O)c(NC(=O)c2ccc(C(C)(C)C)cc2[O-])c1 ZINC001192335852 1135000037 /nfs/dbraw/zinc/00/00/37/1135000037.db2.gz OIEFIBRYILZPFY-UHFFFAOYSA-N -1 1 342.395 3.606 20 0 EHADMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc([O-])cc(F)c1F ZINC001192685268 1135045096 /nfs/dbraw/zinc/04/50/96/1135045096.db2.gz ZXVACJSHSDOJRT-UJMSNXRHSA-N -1 1 343.373 3.983 20 0 EHADMM CC(C)(C)c1ccccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129640059 1135125752 /nfs/dbraw/zinc/12/57/52/1135125752.db2.gz XVESEXNOZODEKO-UHFFFAOYSA-N -1 1 325.412 3.611 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)c2ccccc12 ZINC001193833415 1135191269 /nfs/dbraw/zinc/19/12/69/1135191269.db2.gz OJPGKUBSYDHJMB-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM O=S(=O)(Cc1noc2ccccc21)[N-]c1cccc(F)c1Cl ZINC001194091853 1135231483 /nfs/dbraw/zinc/23/14/83/1135231483.db2.gz JXCWCAXEDADTSV-UHFFFAOYSA-N -1 1 340.763 3.562 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)cc1 ZINC001194455942 1135269812 /nfs/dbraw/zinc/26/98/12/1135269812.db2.gz XLXFXOWBIPYVIF-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM Cc1ccnc2cc([N-]S(=O)(=O)c3c(C)cccc3C)ccc12 ZINC001194643118 1135296386 /nfs/dbraw/zinc/29/63/86/1135296386.db2.gz IIAAEKVEQCSBAH-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCCC2=O ZINC001194643643 1135296564 /nfs/dbraw/zinc/29/65/64/1135296564.db2.gz KWQGZOIOBADMHM-UHFFFAOYSA-N -1 1 329.421 3.623 20 0 EHADMM CCN(CC)c1ccc(NC(=O)c2c[n-]c(C(F)(F)F)n2)c(C)c1 ZINC001194781782 1135314518 /nfs/dbraw/zinc/31/45/18/1135314518.db2.gz HXQXLQWPJWFAHT-UHFFFAOYSA-N -1 1 340.349 3.835 20 0 EHADMM CC(C)Oc1c(F)cccc1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195081019 1135366201 /nfs/dbraw/zinc/36/62/01/1135366201.db2.gz MAKBGLPPLKECRW-UHFFFAOYSA-N -1 1 333.501 3.693 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(CO)c(Cl)c2)c1 ZINC001195159025 1135384569 /nfs/dbraw/zinc/38/45/69/1135384569.db2.gz KOPIEGQCEGXQMM-UHFFFAOYSA-N -1 1 339.844 3.757 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)ccc1Br ZINC001195483433 1135431150 /nfs/dbraw/zinc/43/11/50/1135431150.db2.gz FBEIIPHHHJBSOT-UHFFFAOYSA-N -1 1 337.626 3.545 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)[N-]c2c(F)cccc2C(C)C)c1 ZINC001196778080 1135615019 /nfs/dbraw/zinc/61/50/19/1135615019.db2.gz AGTKTHLCFILXAI-UHFFFAOYSA-N -1 1 341.379 3.898 20 0 EHADMM CCC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC001196886533 1135621761 /nfs/dbraw/zinc/62/17/61/1135621761.db2.gz VLAHTWHBGRHXCW-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM O=C([N-]c1ccnc(F)c1F)c1c(F)ccc(Br)c1F ZINC001131211145 1135637207 /nfs/dbraw/zinc/63/72/07/1135637207.db2.gz ZTIQYYLNFRXROP-UHFFFAOYSA-N -1 1 349.081 3.653 20 0 EHADMM Cc1ccc(NC(=S)Nc2cc3ccc([O-])cc3oc2=O)c(C)c1 ZINC001197965667 1135758263 /nfs/dbraw/zinc/75/82/63/1135758263.db2.gz BYKUBGGUJSBWSK-UHFFFAOYSA-N -1 1 340.404 3.924 20 0 EHADMM CC[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)c1ccccc1OC ZINC000828123518 1135769160 /nfs/dbraw/zinc/76/91/60/1135769160.db2.gz WHEIYHMKORAHLF-CQSZACIVSA-N -1 1 343.427 3.504 20 0 EHADMM CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC001198313807 1135798978 /nfs/dbraw/zinc/79/89/78/1135798978.db2.gz FDVUUBMLZQHRFM-UHFFFAOYSA-N -1 1 347.484 3.817 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000104424176 1135807799 /nfs/dbraw/zinc/80/77/99/1135807799.db2.gz USHBTBPAXZWFNZ-KRWDZBQOSA-N -1 1 344.484 3.551 20 0 EHADMM C[C@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000004516263 1135832343 /nfs/dbraw/zinc/83/23/43/1135832343.db2.gz UHOANJHBPGSIAK-CYBMUJFWSA-N -1 1 338.359 3.736 20 0 EHADMM Cc1ccc(C2=CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC000809549471 1135855196 /nfs/dbraw/zinc/85/51/96/1135855196.db2.gz ISDRUQPURUOUAM-UHFFFAOYSA-N -1 1 329.346 3.908 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc2occc2c1 ZINC001198861870 1135862556 /nfs/dbraw/zinc/86/25/56/1135862556.db2.gz MCLXWIIXVGDNEI-UHFFFAOYSA-N -1 1 327.283 3.651 20 0 EHADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc4occc4c3)cc21 ZINC001198869499 1135864727 /nfs/dbraw/zinc/86/47/27/1135864727.db2.gz VLSJNLRKJUONLO-UHFFFAOYSA-N -1 1 326.377 3.725 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000143067082 1135887609 /nfs/dbraw/zinc/88/76/09/1135887609.db2.gz VQIDLPLMBVYEFT-GFCCVEGCSA-N -1 1 341.798 3.722 20 0 EHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=S)NCC1CCCCC1 ZINC001199937320 1135940240 /nfs/dbraw/zinc/94/02/40/1135940240.db2.gz UIHHAKLNIAJKBW-UHFFFAOYSA-N -1 1 344.484 3.753 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccn3nccc3c2)c(C)c1C ZINC001201792324 1136062649 /nfs/dbraw/zinc/06/26/49/1136062649.db2.gz BMOQASHYRXXNDP-UHFFFAOYSA-N -1 1 343.452 3.677 20 0 EHADMM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1F ZINC000338909108 1136145613 /nfs/dbraw/zinc/14/56/13/1136145613.db2.gz XLLOKGLPCGCZSD-CPCISQLKSA-N -1 1 349.811 3.514 20 0 EHADMM C[C@@H](C(=O)[N-]OCc1ccccc1)c1cccc(Br)c1 ZINC000812455381 1136210623 /nfs/dbraw/zinc/21/06/23/1136210623.db2.gz IRACIIYGWZTKFI-GFCCVEGCSA-N -1 1 334.213 3.801 20 0 EHADMM CCOC(=O)c1nc(NC(=O)c2ccccc2C(C)C)[n-]c1Cl ZINC001134103054 1136407970 /nfs/dbraw/zinc/40/79/70/1136407970.db2.gz LCYTZEVZBWZQTL-UHFFFAOYSA-N -1 1 335.791 3.616 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)C1=Cc2ccccc2CC1 ZINC000814285654 1136434131 /nfs/dbraw/zinc/43/41/31/1136434131.db2.gz LTOGJAGPOJVYIZ-KRWDZBQOSA-N -1 1 349.402 3.900 20 0 EHADMM O=c1cc(CN2CCC[C@@H](CCF)C2)c2cc(Cl)c([O-])cc2o1 ZINC000852531420 1136463041 /nfs/dbraw/zinc/46/30/41/1136463041.db2.gz MJMYIVHSUGFVKB-NSHDSACASA-N -1 1 339.794 3.724 20 0 EHADMM CCCCCC[C@@](C)(CC)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342309 1136608963 /nfs/dbraw/zinc/60/89/63/1136608963.db2.gz OTAZQBQITFWYGU-GOSISDBHSA-N -1 1 337.464 3.868 20 0 EHADMM O=S(=O)([N-][C@H]1CC[C@H](c2ccccc2F)C1)c1sccc1F ZINC000338976267 1136709235 /nfs/dbraw/zinc/70/92/35/1136709235.db2.gz MZAPIQBLLQAEFA-QWRGUYRKSA-N -1 1 343.420 3.641 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCSC[C@@H]1C1CC1 ZINC000888497147 1136768437 /nfs/dbraw/zinc/76/84/37/1136768437.db2.gz PDAMHSBCEDLHKP-QGZVFWFLSA-N -1 1 327.449 3.903 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1CCC(C2CCC2)CC1 ZINC000856252716 1136769266 /nfs/dbraw/zinc/76/92/66/1136769266.db2.gz SFJQNYDFLRFNNH-UHFFFAOYSA-N -1 1 331.460 3.703 20 0 EHADMM O=C(c1nnc2ccccc2c1O)N1CCCC[C@H]1CC1CCC1 ZINC000856273409 1136771398 /nfs/dbraw/zinc/77/13/98/1136771398.db2.gz WRFFTFNZBUTQFG-AWEZNQCLSA-N -1 1 325.412 3.520 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000856492818 1136789437 /nfs/dbraw/zinc/78/94/37/1136789437.db2.gz PXQPVEDVOKBGMM-INIZCTEOSA-N -1 1 328.799 3.808 20 0 EHADMM COc1ccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC001136177817 1136899387 /nfs/dbraw/zinc/89/93/87/1136899387.db2.gz BYZJFUFPHFKDDH-SNVBAGLBSA-N -1 1 339.313 3.911 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cc(-c3nc[nH]n3)ccc2F)c([O-])c1 ZINC000819557130 1136952444 /nfs/dbraw/zinc/95/24/44/1136952444.db2.gz MBJBMNXXRKOSMS-UHFFFAOYSA-N -1 1 340.358 3.692 20 0 EHADMM CN(c1cc(Cl)[n-]c(=O)n1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000858545961 1136977711 /nfs/dbraw/zinc/97/77/11/1136977711.db2.gz LXICGSVIVHDECG-OLZOCXBDSA-N -1 1 333.819 3.518 20 0 EHADMM O=C(COC(=O)c1ccc([O-])cc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000859623047 1137023392 /nfs/dbraw/zinc/02/33/92/1137023392.db2.gz RCJDBGGDWABEAK-UWVGGRQHSA-N -1 1 348.292 3.626 20 0 EHADMM S=c1nc(-c2ccccn2)[n-]n1CN1CCC[C@H]1c1ccsc1 ZINC000117319305 1137050227 /nfs/dbraw/zinc/05/02/27/1137050227.db2.gz JMLWZYIXRNAXQZ-AWEZNQCLSA-N -1 1 343.481 3.859 20 0 EHADMM Cc1cc(NC(=O)c2ccccc2[O-])n(-c2cccc(Cl)c2)n1 ZINC001136574862 1137055549 /nfs/dbraw/zinc/05/55/49/1137055549.db2.gz FJIHGANDUWMXMZ-UHFFFAOYSA-N -1 1 327.771 3.792 20 0 EHADMM CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3cc(F)cc(F)c3[O-])cc2C1 ZINC000822977142 1137081766 /nfs/dbraw/zinc/08/17/66/1137081766.db2.gz LRHQQKRIDMCANO-SECBINFHSA-N -1 1 348.349 3.538 20 0 EHADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc2ccc(O)cc2c1[O-] ZINC001136785889 1137116198 /nfs/dbraw/zinc/11/61/98/1137116198.db2.gz MCLSOUXYNFXSCJ-VHDGCEQUSA-N -1 1 325.408 3.950 20 0 EHADMM C[C@H]([N-]C(=O)C(C)(F)F)c1cc(F)c(Br)cc1F ZINC000862637030 1137152833 /nfs/dbraw/zinc/15/28/33/1137152833.db2.gz IGDYIZWCCKSVCF-YFKPBYRVSA-N -1 1 328.103 3.560 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)c2ccccn2)c1 ZINC000825011262 1137160193 /nfs/dbraw/zinc/16/01/93/1137160193.db2.gz DMWVTHANFJQKMJ-GFCCVEGCSA-N -1 1 337.345 3.742 20 0 EHADMM O=C([O-])C[C@H](NCc1ccc(OC(F)F)cc1F)c1ccsc1 ZINC000864503743 1137230355 /nfs/dbraw/zinc/23/03/55/1137230355.db2.gz HPYGSJGEDYYBGV-ZDUSSCGKSA-N -1 1 345.342 3.794 20 0 EHADMM Cc1nn(-c2ccccc2)c(Cl)c1CN1CCCC[C@H]1CC(=O)[O-] ZINC000844834991 1137254324 /nfs/dbraw/zinc/25/43/24/1137254324.db2.gz HEVBAUMHNQTYDO-HNNXBMFYSA-N -1 1 347.846 3.663 20 0 EHADMM CC[C@@H](C(=O)[O-])N(C)Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000844939047 1137264236 /nfs/dbraw/zinc/26/42/36/1137264236.db2.gz YLSFAQYNSSHCOG-HNNXBMFYSA-N -1 1 349.862 3.746 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@H](CC)C(=O)N(C)c2ccc(C)cc2)n1 ZINC000865364004 1137277845 /nfs/dbraw/zinc/27/78/45/1137277845.db2.gz ZFRHTNWZYODVKH-OAHLLOKOSA-N -1 1 345.468 3.587 20 0 EHADMM C[C@@H](CC(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC001144415652 1137287945 /nfs/dbraw/zinc/28/79/45/1137287945.db2.gz UNYZPDSNLGYQNA-JTQLQIEISA-N -1 1 335.201 3.682 20 0 EHADMM [O-]c1cc(F)c(CN2CCc3ncc(C(F)(F)F)cc3C2)c(F)c1 ZINC001144554650 1137308724 /nfs/dbraw/zinc/30/87/24/1137308724.db2.gz DDFSWXQONHXTFA-UHFFFAOYSA-N -1 1 344.283 3.643 20 0 EHADMM CC(C)c1noc([C@H]2CCCN(Cc3c(F)cc([O-])cc3F)C2)n1 ZINC001144558788 1137309606 /nfs/dbraw/zinc/30/96/06/1137309606.db2.gz DNONOFWJCUSYKF-NSHDSACASA-N -1 1 337.370 3.556 20 0 EHADMM [O-]c1cc(F)c(CN2CCn3cc(-c4ccccc4)nc3C2)cc1F ZINC001144659455 1137327087 /nfs/dbraw/zinc/32/70/87/1137327087.db2.gz JNVOZBSECUKBKU-UHFFFAOYSA-N -1 1 341.361 3.550 20 0 EHADMM O=C(NCc1cccc(OC2CC2)c1F)c1cc(Cl)ccc1[O-] ZINC001146454714 1137390467 /nfs/dbraw/zinc/39/04/67/1137390467.db2.gz SBQUTDXXEMZPSL-UHFFFAOYSA-N -1 1 335.762 3.656 20 0 EHADMM COc1ccccc1[C@@H](C)N(OC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001146562615 1137392018 /nfs/dbraw/zinc/39/20/18/1137392018.db2.gz DRVPEHLAEPUSNB-GFCCVEGCSA-N -1 1 349.814 3.748 20 0 EHADMM Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c(=O)[nH]1 ZINC001148251837 1137420778 /nfs/dbraw/zinc/42/07/78/1137420778.db2.gz CTELVWXLGKYVNY-UHFFFAOYSA-N -1 1 328.755 3.860 20 0 EHADMM O=C(Nc1cc2ccccc2oc1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790508 1137433731 /nfs/dbraw/zinc/43/37/31/1137433731.db2.gz NKNJSOLKKKJDAZ-UHFFFAOYSA-N -1 1 349.264 3.770 20 0 EHADMM O=C(Nc1cc2ccccn2n1)c1cccc(-c2ccccc2)c1[O-] ZINC001148867491 1137436663 /nfs/dbraw/zinc/43/66/63/1137436663.db2.gz WIDQBQUOWQOMPH-UHFFFAOYSA-N -1 1 329.359 3.959 20 0 EHADMM O=C(NCc1cccc2ccnn21)c1cccc(-c2ccccc2)c1[O-] ZINC001148872058 1137436937 /nfs/dbraw/zinc/43/69/37/1137436937.db2.gz FVAPOEMUEBJAJJ-UHFFFAOYSA-N -1 1 343.386 3.637 20 0 EHADMM CSc1ccncc1[N-]C(=O)c1nc(C)c(Br)s1 ZINC001148912351 1137437643 /nfs/dbraw/zinc/43/76/43/1137437643.db2.gz OAHYOSUDPXCLHO-UHFFFAOYSA-N -1 1 344.259 3.583 20 0 EHADMM CC(C)CCC[C@H](C)NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148996416 1137438840 /nfs/dbraw/zinc/43/88/40/1137438840.db2.gz MMQFHUCDRKMZKH-JTQLQIEISA-N -1 1 344.249 3.805 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(C)c(Cl)c2)c1 ZINC000122509793 1137445187 /nfs/dbraw/zinc/44/51/87/1137445187.db2.gz POPOLKYSVCOGAN-UHFFFAOYSA-N -1 1 332.787 3.589 20 0 EHADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1ccc(Br)c([O-])c1 ZINC001325084850 1137446060 /nfs/dbraw/zinc/44/60/60/1137446060.db2.gz KWRIGOYYFFTELE-QMMMGPOBSA-N -1 1 334.160 3.919 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H](OC2CCC2)CC1 ZINC000871324850 1137536217 /nfs/dbraw/zinc/53/62/17/1137536217.db2.gz TVBWSSMHRUORCF-MRXNPFEDSA-N -1 1 340.423 3.504 20 0 EHADMM Cc1cc(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)ccc1Cl ZINC001212653085 1137548834 /nfs/dbraw/zinc/54/88/34/1137548834.db2.gz WYNVRUBXNCELDP-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1c(Cl)cccc1-c1noc(-c2n[n-]nc2C(F)(F)F)n1 ZINC001212652954 1137548873 /nfs/dbraw/zinc/54/88/73/1137548873.db2.gz QDLACABETRMNGY-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1ccc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1C(=O)[O-] ZINC000872158324 1137574180 /nfs/dbraw/zinc/57/41/80/1137574180.db2.gz AHRIGVIBRBJTAW-JBEBIEQOSA-N -1 1 345.464 3.624 20 0 EHADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc(Br)ccc1[O-] ZINC001137069215 1137593410 /nfs/dbraw/zinc/59/34/10/1137593410.db2.gz UMSOUKFOVNOIJL-JSGCOSHPSA-N -1 1 338.245 3.853 20 0 EHADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2F)C12CCCCC2 ZINC001137083253 1137625927 /nfs/dbraw/zinc/62/59/27/1137625927.db2.gz GJLDXZIWNBENAP-CVEARBPZSA-N -1 1 335.419 3.731 20 0 EHADMM C[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876398190 1137650835 /nfs/dbraw/zinc/65/08/35/1137650835.db2.gz DNINWHQHPPWOEA-ZDUSSCGKSA-N -1 1 336.741 3.530 20 0 EHADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000881911081 1137817251 /nfs/dbraw/zinc/81/72/51/1137817251.db2.gz ASZWTYMWLLSKFL-UHFFFAOYSA-N -1 1 349.795 3.556 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@@H](C2CCOCC2)C1 ZINC000882909484 1137837693 /nfs/dbraw/zinc/83/76/93/1137837693.db2.gz VVRVEYKZXACCMK-CQSZACIVSA-N -1 1 337.847 3.715 20 0 EHADMM Cc1ccc([C@H](CNC(=O)c2ccc([O-])c(Cl)c2)N2CCCC2)o1 ZINC000101678663 1137871260 /nfs/dbraw/zinc/87/12/60/1137871260.db2.gz NWPDDDZMMILCQD-HNNXBMFYSA-N -1 1 348.830 3.514 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)NC2CCCCC2)c1 ZINC001202615556 1137885945 /nfs/dbraw/zinc/88/59/45/1137885945.db2.gz RHFDQNJGOOCBJB-UHFFFAOYSA-N -1 1 343.221 3.618 20 0 EHADMM C[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccc(F)cc1F ZINC001137211376 1137961639 /nfs/dbraw/zinc/96/16/39/1137961639.db2.gz XQZKAMSXDSHTGQ-JTQLQIEISA-N -1 1 328.318 3.710 20 0 EHADMM CC[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)c1c(C)noc1C ZINC000885674587 1138017799 /nfs/dbraw/zinc/01/77/99/1138017799.db2.gz RIZOVZWNJSLTTB-SECBINFHSA-N -1 1 326.755 3.922 20 0 EHADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885676017 1138017849 /nfs/dbraw/zinc/01/78/49/1138017849.db2.gz GXHDUGZHNLPUML-MEBBXXQBSA-N -1 1 329.799 3.965 20 0 EHADMM CC(C)Oc1ccccc1NC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000085562613 1138184656 /nfs/dbraw/zinc/18/46/56/1138184656.db2.gz BXWPWJPGCCODFY-UHFFFAOYSA-N -1 1 349.460 3.630 20 0 EHADMM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000091080058 1138215854 /nfs/dbraw/zinc/21/58/54/1138215854.db2.gz SEAFUSGYXAYOMZ-KRWDZBQOSA-N -1 1 335.407 3.863 20 0 EHADMM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000091080059 1138216027 /nfs/dbraw/zinc/21/60/27/1138216027.db2.gz SEAFUSGYXAYOMZ-QGZVFWFLSA-N -1 1 335.407 3.863 20 0 EHADMM Cc1cccc([C@@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)c1C ZINC000122252639 1138256123 /nfs/dbraw/zinc/25/61/23/1138256123.db2.gz DMIRTHNMGIOVCW-INIZCTEOSA-N -1 1 339.464 3.939 20 0 EHADMM Cc1c(=O)[n-]c(SC[C@@H]2CCCC[C@@H]2O)nc1-c1ccccc1 ZINC000334025962 1138362857 /nfs/dbraw/zinc/36/28/57/1138362857.db2.gz HGVIXLRVLDPLFU-GJZGRUSLSA-N -1 1 330.453 3.801 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1F ZINC000337128855 1138473898 /nfs/dbraw/zinc/47/38/98/1138473898.db2.gz AYPOIGPHZBXRMV-UHFFFAOYSA-N -1 1 339.363 3.652 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ccsc32)c1 ZINC000337441020 1138570471 /nfs/dbraw/zinc/57/04/71/1138570471.db2.gz GAKKQBZOQHMUOY-UHFFFAOYSA-N -1 1 326.377 3.818 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000134450395 1138689761 /nfs/dbraw/zinc/68/97/61/1138689761.db2.gz ANUFKRLMGPWGMB-UHFFFAOYSA-N -1 1 346.452 3.707 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000338217066 1138791480 /nfs/dbraw/zinc/79/14/80/1138791480.db2.gz QVJFRZWTVLGPDY-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CCOc1cc(C(=O)N2CC[C@H](O)c3ccccc32)cc(Cl)c1[O-] ZINC000889252743 1139183773 /nfs/dbraw/zinc/18/37/73/1139183773.db2.gz CTWXKVZFMQOMPE-HNNXBMFYSA-N -1 1 347.798 3.528 20 0 EHADMM COc1ccc(C[C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000182284368 1139963288 /nfs/dbraw/zinc/96/32/88/1139963288.db2.gz FJHGNZIUROZTTO-NSHDSACASA-N -1 1 349.814 3.880 20 0 EHADMM CC(C)(C)OCc1cc(C(=O)[N-]c2cc(-c3ccccc3)on2)no1 ZINC000184478344 1140104972 /nfs/dbraw/zinc/10/49/72/1140104972.db2.gz NZQMJZIELRCMFC-UHFFFAOYSA-N -1 1 341.367 3.897 20 0 EHADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cnc(-c2ccco2)s1 ZINC000184899259 1140125370 /nfs/dbraw/zinc/12/53/70/1140125370.db2.gz DMMHSAWNLYIHKV-UHFFFAOYSA-N -1 1 343.412 3.752 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc(Cl)c1[O-] ZINC000186872579 1140226079 /nfs/dbraw/zinc/22/60/79/1140226079.db2.gz GKBCVMCGQVNWDY-COXVUDFISA-N -1 1 343.810 3.512 20 0 EHADMM CC(C)(C)c1nnc(NC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000190950093 1140427301 /nfs/dbraw/zinc/42/73/01/1140427301.db2.gz KHOQZANQQQCLBK-UHFFFAOYSA-N -1 1 326.809 3.839 20 0 EHADMM Cc1nnsc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000191426086 1140463267 /nfs/dbraw/zinc/46/32/67/1140463267.db2.gz ANWYWQYABXAPIW-UHFFFAOYSA-N -1 1 333.360 3.595 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(C3(c4ccccc4)CCC3)no2)c1 ZINC000273908528 1141444511 /nfs/dbraw/zinc/44/45/11/1141444511.db2.gz DIEXCOXNHNGNCZ-UHFFFAOYSA-N -1 1 349.390 3.871 20 0 EHADMM CCCOc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)c(C)c1 ZINC000283342032 1141603588 /nfs/dbraw/zinc/60/35/88/1141603588.db2.gz HUXSRMLPXGSLBM-UHFFFAOYSA-N -1 1 335.350 3.698 20 0 EHADMM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000104179642 219355503 /nfs/dbraw/zinc/35/55/03/219355503.db2.gz RFJYKTBTNNUPNJ-QWRGUYRKSA-N -1 1 326.234 3.711 20 0 EHADMM COc1ccc(Cl)cc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000038051568 213198334 /nfs/dbraw/zinc/19/83/34/213198334.db2.gz ZHLWFISNKAGOKT-GFCCVEGCSA-N -1 1 325.817 3.716 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1CCOc1c(Cl)cccc1Cl ZINC000038027887 213193224 /nfs/dbraw/zinc/19/32/24/213193224.db2.gz XWPAWVFELCCMOK-NSHDSACASA-N -1 1 332.227 3.701 20 0 EHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000023371388 212371850 /nfs/dbraw/zinc/37/18/50/212371850.db2.gz FUFGRBRBAHXIOG-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2csc(-c3ccccc3F)n2)C1 ZINC000532711792 597085579 /nfs/dbraw/zinc/08/55/79/597085579.db2.gz LJHRQDMVWBCQEZ-GFCCVEGCSA-N -1 1 334.416 3.636 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000426770967 598220155 /nfs/dbraw/zinc/22/01/55/598220155.db2.gz XVEIUGKSVFKHMS-IBGZPJMESA-N -1 1 336.366 3.803 20 0 EHADMM CCCC[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736441372 598500790 /nfs/dbraw/zinc/50/07/90/598500790.db2.gz QKDIJKMFEMUAJO-RKDXNWHRSA-N -1 1 326.857 3.747 20 0 EHADMM CCCC[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736441372 598500791 /nfs/dbraw/zinc/50/07/91/598500791.db2.gz QKDIJKMFEMUAJO-RKDXNWHRSA-N -1 1 326.857 3.747 20 0 EHADMM C[C@H]1C[C@H]1c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000820676093 599484774 /nfs/dbraw/zinc/48/47/74/599484774.db2.gz LPKKLKOJUPUOCG-SMDDNHRTSA-N -1 1 346.394 3.743 20 0 EHADMM C[C@H]1C[C@H]1c1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000820676093 599484777 /nfs/dbraw/zinc/48/47/77/599484777.db2.gz LPKKLKOJUPUOCG-SMDDNHRTSA-N -1 1 346.394 3.743 20 0 EHADMM O=C([O-])[C@@H](NCc1cccc(F)c1F)c1ccccc1C(F)(F)F ZINC000739501212 599792016 /nfs/dbraw/zinc/79/20/16/599792016.db2.gz UOXDKCZRSKXQEN-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM Cc1nc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])nc2ccccc12 ZINC000652457025 599802829 /nfs/dbraw/zinc/80/28/29/599802829.db2.gz YQGGYOAVQKDKIO-HNNXBMFYSA-N -1 1 349.434 3.661 20 0 EHADMM O=C([O-])N1CCC[C@@H](NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000739926153 599860905 /nfs/dbraw/zinc/86/09/05/599860905.db2.gz GEBWLMBLCZTBPE-MRVPVSSYSA-N -1 1 337.634 3.879 20 0 EHADMM O=C([O-])c1ccc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)o1 ZINC000740124435 600014807 /nfs/dbraw/zinc/01/48/07/600014807.db2.gz UDOYBFDKUMDYGR-QGZVFWFLSA-N -1 1 349.814 3.577 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N(C)C[C@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738230813 600144799 /nfs/dbraw/zinc/14/47/99/600144799.db2.gz QVZABAGYIHHWQB-SWLSCSKDSA-N -1 1 342.439 3.636 20 0 EHADMM O=C([O-])CCN(Cc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1 ZINC000739720001 600329372 /nfs/dbraw/zinc/32/93/72/600329372.db2.gz FWHAQMAMLPSWLT-UHFFFAOYSA-N -1 1 341.304 3.720 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000739505546 600419940 /nfs/dbraw/zinc/41/99/40/600419940.db2.gz RHKMQDVYFAUDST-CQSZACIVSA-N -1 1 343.276 3.640 20 0 EHADMM COc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737888436 600435335 /nfs/dbraw/zinc/43/53/35/600435335.db2.gz DRYWFUZZHIKLPW-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM Cc1oc(CN2CCS[C@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000738978840 600491187 /nfs/dbraw/zinc/49/11/87/600491187.db2.gz KQDHPHRCYDVYGK-CXAGYDPISA-N -1 1 331.437 3.965 20 0 EHADMM Cc1cc(CNCc2ccc(C(=O)[O-])o2)ccc1Oc1cccnc1 ZINC000738392352 600524270 /nfs/dbraw/zinc/52/42/70/600524270.db2.gz LIHWUBUEXRZQIG-UHFFFAOYSA-N -1 1 338.363 3.763 20 0 EHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC000832934467 600740055 /nfs/dbraw/zinc/74/00/55/600740055.db2.gz RHCSFYNZAOEECF-CQSZACIVSA-N -1 1 325.195 3.612 20 0 EHADMM CCOC1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000652394282 600990974 /nfs/dbraw/zinc/99/09/74/600990974.db2.gz UTUHDPKUIPUEIP-AWEZNQCLSA-N -1 1 332.227 3.620 20 0 EHADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000569492608 601583940 /nfs/dbraw/zinc/58/39/40/601583940.db2.gz NREFHSHBCILRFC-VQTJNVASSA-N -1 1 339.435 3.536 20 0 EHADMM COc1ccccc1[C@H]1CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000569989720 601628267 /nfs/dbraw/zinc/62/82/67/601628267.db2.gz RUMOGHZBBRAZOO-QGZVFWFLSA-N -1 1 329.371 3.870 20 0 EHADMM Cc1ccc(OC(F)F)c(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832951215 601642152 /nfs/dbraw/zinc/64/21/52/601642152.db2.gz SBJSBGSUFPQVIC-HNNXBMFYSA-N -1 1 339.313 3.651 20 0 EHADMM CCCCCCN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000829357258 601844434 /nfs/dbraw/zinc/84/44/34/601844434.db2.gz MMAZIYIJZDQEDH-INIZCTEOSA-N -1 1 335.444 3.658 20 0 EHADMM CN(Cc1ccc(F)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825231 601899341 /nfs/dbraw/zinc/89/93/41/601899341.db2.gz JVIDSAUZPNHBMN-HNNXBMFYSA-N -1 1 327.277 3.501 20 0 EHADMM CCSc1ccc(Cl)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825675153 607550036 /nfs/dbraw/zinc/55/00/36/607550036.db2.gz YCPRHBWESJVVOX-UHFFFAOYSA-N -1 1 346.847 3.639 20 0 EHADMM CCSc1ccc(Cl)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000825675153 607550038 /nfs/dbraw/zinc/55/00/38/607550038.db2.gz YCPRHBWESJVVOX-UHFFFAOYSA-N -1 1 346.847 3.639 20 0 EHADMM Cc1nc(CN(C[C@H](C)C(=O)[O-])C2CC2)oc1-c1ccc(Cl)cc1 ZINC000569228818 602283697 /nfs/dbraw/zinc/28/36/97/602283697.db2.gz DWJAUESBJIIOAE-NSHDSACASA-N -1 1 348.830 3.989 20 0 EHADMM CC[C@@H](c1ccc(F)cc1F)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739275752 602865752 /nfs/dbraw/zinc/86/57/52/602865752.db2.gz BIMXKHBBNXTZMC-ZBEGNZNMSA-N -1 1 326.387 3.784 20 0 EHADMM CCN(CC1CCN(Cc2cc(-c3ccccc3)no2)CC1)C(=O)[O-] ZINC000827098451 603508295 /nfs/dbraw/zinc/50/82/95/603508295.db2.gz AQTIIIHCBXJTHY-UHFFFAOYSA-N -1 1 343.427 3.554 20 0 EHADMM C[C@H](NCC[C@@H]1CCCN(C(=O)[O-])C1)c1ncc(-c2ccccc2)o1 ZINC000825490913 603643167 /nfs/dbraw/zinc/64/31/67/603643167.db2.gz SDHDYYGQZJUECA-GJZGRUSLSA-N -1 1 343.427 3.772 20 0 EHADMM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000827726698 604292623 /nfs/dbraw/zinc/29/26/23/604292623.db2.gz BUWLYCMOQGHOAJ-OCCSQVGLSA-N -1 1 331.441 3.603 20 0 EHADMM CCOc1ccc(C2=CCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000833663059 604574049 /nfs/dbraw/zinc/57/40/49/604574049.db2.gz GTXYANQYACRQDY-UHFFFAOYSA-N -1 1 327.380 3.666 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000405361753 604649348 /nfs/dbraw/zinc/64/93/48/604649348.db2.gz FFYPNZQDBMZRLX-GFCCVEGCSA-N -1 1 331.309 3.531 20 0 EHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000135029477 604927498 /nfs/dbraw/zinc/92/74/98/604927498.db2.gz QCFPOVOMFIFHRK-NSHDSACASA-N -1 1 346.290 3.833 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434653 605048746 /nfs/dbraw/zinc/04/87/46/605048746.db2.gz BGXOYWPXBDURBM-NWDGAFQWSA-N -1 1 335.787 3.846 20 0 EHADMM CC(C)CCOc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000820076705 606412069 /nfs/dbraw/zinc/41/20/69/606412069.db2.gz RWFNOMZCYGDMAS-UHFFFAOYSA-N -1 1 343.456 3.965 20 0 EHADMM Cc1cccc([C@@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000822299759 606458803 /nfs/dbraw/zinc/45/88/03/606458803.db2.gz UKRVCULKIHHHPQ-NSHDSACASA-N -1 1 346.847 3.627 20 0 EHADMM Cc1cccc([C@@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000822299759 606458804 /nfs/dbraw/zinc/45/88/04/606458804.db2.gz UKRVCULKIHHHPQ-NSHDSACASA-N -1 1 346.847 3.627 20 0 EHADMM Cc1cc2cc(Nc3snc(Cl)c3-c3nnn[n-]3)ccc2[nH]1 ZINC000826273197 608175878 /nfs/dbraw/zinc/17/58/78/608175878.db2.gz TXNAAJDQAYRWHF-UHFFFAOYSA-N -1 1 331.792 3.510 20 0 EHADMM Cc1cc2cc(Nc3snc(Cl)c3-c3nn[n-]n3)ccc2[nH]1 ZINC000826273197 608175879 /nfs/dbraw/zinc/17/58/79/608175879.db2.gz TXNAAJDQAYRWHF-UHFFFAOYSA-N -1 1 331.792 3.510 20 0 EHADMM Nc1c(Cl)cc(Cl)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC001601211270 970955088 /nfs/dbraw/zinc/95/50/88/970955088.db2.gz ONDABOUZMSVPTN-UHFFFAOYSA-N -1 1 325.195 3.564 20 0 EHADMM COc1ccc(C(=O)[O-])cc1C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000324168027 971091862 /nfs/dbraw/zinc/09/18/62/971091862.db2.gz QLZGDPDZIJDMDZ-ZDUSSCGKSA-N -1 1 331.334 3.556 20 0 EHADMM CCCCC[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000821050791 945625390 /nfs/dbraw/zinc/62/53/90/945625390.db2.gz UNMAGGGHQLZEIH-VIFPVBQESA-N -1 1 326.857 3.526 20 0 EHADMM CCCCC[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000821050791 945625394 /nfs/dbraw/zinc/62/53/94/945625394.db2.gz UNMAGGGHQLZEIH-VIFPVBQESA-N -1 1 326.857 3.526 20 0 EHADMM CC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1Cl ZINC001573555663 946914030 /nfs/dbraw/zinc/91/40/30/946914030.db2.gz DDWVKLKKPDDWPZ-UHFFFAOYSA-N -1 1 332.722 3.654 20 0 EHADMM CC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1Cl ZINC001573555663 946914038 /nfs/dbraw/zinc/91/40/38/946914038.db2.gz DDWVKLKKPDDWPZ-UHFFFAOYSA-N -1 1 332.722 3.654 20 0 EHADMM O=C([O-])c1ccccc1CNCc1ccc(F)cc1Br ZINC001595255496 949598367 /nfs/dbraw/zinc/59/83/67/949598367.db2.gz SOJGUMGYAGYWRW-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM CC(C)(C)c1cccc(OC(=O)c2ccc(-c3nn[n-]n3)o2)c1Cl ZINC001573884014 950777998 /nfs/dbraw/zinc/77/79/98/950777998.db2.gz CGNPLERFOJBGJE-UHFFFAOYSA-N -1 1 346.774 3.630 20 0 EHADMM COc1cc(Cl)c(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC000424425885 953482505 /nfs/dbraw/zinc/48/25/05/953482505.db2.gz ZZLFCFJSZCBGQB-YMTOWFKASA-N -1 1 332.227 3.687 20 0 EHADMM C[C@H]1CCN(Cc2cc(Cl)ccc2Br)C[C@H]1C(=O)[O-] ZINC000516867030 953542633 /nfs/dbraw/zinc/54/26/33/953542633.db2.gz FQMSUXRASPGCNP-JOYOIKCWSA-N -1 1 346.652 3.645 20 0 EHADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000226463757 959878787 /nfs/dbraw/zinc/87/87/87/959878787.db2.gz AZNSUWUOISXTMB-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM CC(C)(NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccs1 ZINC001588795094 961378301 /nfs/dbraw/zinc/37/83/01/961378301.db2.gz NLRQFXIVYKNDJX-CYBMUJFWSA-N -1 1 348.468 3.667 20 0 EHADMM Cc1ccc(CN[C@](C)(C(=O)[O-])c2ccccc2)c(Br)c1 ZINC001334777924 961822936 /nfs/dbraw/zinc/82/29/36/961822936.db2.gz DIXMQVWTLSXDRF-KRWDZBQOSA-N -1 1 348.240 3.847 20 0 EHADMM O=C([O-])[C@H](C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CCCC1 ZINC001574617907 962238964 /nfs/dbraw/zinc/23/89/64/962238964.db2.gz YGVLIVOEECJQFU-INIZCTEOSA-N -1 1 341.411 3.660 20 0 EHADMM O=C([O-])[C@@H]1CN(C[C@H]2[C@H](c3ccccc3)C2(F)F)Cc2ccccc21 ZINC001574660880 962488884 /nfs/dbraw/zinc/48/88/84/962488884.db2.gz DHKZIJWRTNPVGB-SQNIBIBYSA-N -1 1 343.373 3.719 20 0 EHADMM O=C([O-])CCCC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000299839595 962941840 /nfs/dbraw/zinc/94/18/40/962941840.db2.gz YWHZUZQWOGSYMT-UHFFFAOYSA-N -1 1 341.342 3.562 20 0 EHADMM C[C@@H]1CN(Cc2cc(Br)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311406539 967949430 /nfs/dbraw/zinc/94/94/30/967949430.db2.gz XBHUPVSEWMDEMG-SKDRFNHKSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@@H]1CN(Cc2cc(Br)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311406536 967949581 /nfs/dbraw/zinc/94/95/81/967949581.db2.gz XBHUPVSEWMDEMG-BXKDBHETSA-N -1 1 346.652 3.645 20 0 EHADMM COc1ccc2nc(SCc3ccc(C(=O)[O-])cc3F)[nH]c2c1 ZINC000320548218 970677705 /nfs/dbraw/zinc/67/77/05/970677705.db2.gz LOZOFMUABYLNKJ-UHFFFAOYSA-N -1 1 332.356 3.701 20 0 EHADMM O=C([O-])Cc1ccccc1CNCc1ccccc1OC(F)(F)F ZINC000426692304 974044872 /nfs/dbraw/zinc/04/48/72/974044872.db2.gz QOYFAHJYCANDJA-UHFFFAOYSA-N -1 1 339.313 3.502 20 0 EHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1F ZINC000426752362 974045697 /nfs/dbraw/zinc/04/56/97/974045697.db2.gz CJYUZJRYAOOKQW-OAHLLOKOSA-N -1 1 341.741 3.542 20 0 EHADMM COc1cc(Cl)c(CN[C@@H](C(=O)[O-])c2cccs2)cc1Cl ZINC000426799160 974049453 /nfs/dbraw/zinc/04/94/53/974049453.db2.gz HOVJAKALPRPNPD-CYBMUJFWSA-N -1 1 346.235 3.979 20 0 EHADMM CCCN(Cc1cnc(C(=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000530160583 974358479 /nfs/dbraw/zinc/35/84/79/974358479.db2.gz DXWSERSBSPZCSM-ZDUSSCGKSA-N -1 1 339.395 3.894 20 0 EHADMM O=C(c1cccc(NCc2cccc([O-])c2Cl)c1)N1CCCC1 ZINC000339306655 1014197273 /nfs/dbraw/zinc/19/72/73/1014197273.db2.gz VOWMNCOIJSNGSR-UHFFFAOYSA-N -1 1 330.815 3.894 20 0 EHADMM [O-]c1cccc(CNc2ccccc2OCCn2ccnc2)c1Cl ZINC000339308518 1014200395 /nfs/dbraw/zinc/20/03/95/1014200395.db2.gz AJRUCYDJYNTTKQ-UHFFFAOYSA-N -1 1 343.814 3.933 20 0 EHADMM CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cc(C(=O)[O-])co1 ZINC000568402349 974670219 /nfs/dbraw/zinc/67/02/19/974670219.db2.gz CUFJSXBLTRWWQV-UHFFFAOYSA-N -1 1 343.301 3.507 20 0 EHADMM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCCO1 ZINC000578910362 974865565 /nfs/dbraw/zinc/86/55/65/974865565.db2.gz NSXFIGRSGYFQQR-ZFWWWQNUSA-N -1 1 346.254 3.866 20 0 EHADMM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CCS1 ZINC000579364389 974873735 /nfs/dbraw/zinc/87/37/35/974873735.db2.gz GZRBZVFGQIWEER-GXTWGEPZSA-N -1 1 331.840 3.678 20 0 EHADMM CSc1ccccc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000581731748 974915105 /nfs/dbraw/zinc/91/51/05/974915105.db2.gz OFAGPPGHZGMVTK-UHFFFAOYSA-N -1 1 331.437 3.504 20 0 EHADMM C[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1C ZINC000583269094 974938738 /nfs/dbraw/zinc/93/87/38/974938738.db2.gz XFRGKDNATBSFAC-OLZOCXBDSA-N -1 1 330.453 3.986 20 0 EHADMM C[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1C ZINC000583269093 974938838 /nfs/dbraw/zinc/93/88/38/974938838.db2.gz XFRGKDNATBSFAC-CHWSQXEVSA-N -1 1 330.453 3.986 20 0 EHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2csc(CCc3ccccc3)n2)C1 ZINC000652482846 975552847 /nfs/dbraw/zinc/55/28/47/975552847.db2.gz XPIZOMXPIWVBTA-LJQANCHMSA-N -1 1 344.480 3.615 20 0 EHADMM CC(C)Oc1ccccc1CN1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001591801552 976017326 /nfs/dbraw/zinc/01/73/26/976017326.db2.gz PHSIJFOFWMMVPJ-UONOGXRCSA-N -1 1 345.361 3.559 20 0 EHADMM COCCOc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000460837648 1032094318 /nfs/dbraw/zinc/09/43/18/1032094318.db2.gz DCNOKOPHVLOJPZ-UHFFFAOYSA-N -1 1 349.452 3.636 20 0 EHADMM CC[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccccc1OC ZINC001595280728 980326095 /nfs/dbraw/zinc/32/60/95/980326095.db2.gz BITUMXLEEQSFNT-WMLDXEAASA-N -1 1 343.423 3.961 20 0 EHADMM CC[C@@H](NCC(=O)c1cc(C(=O)[O-])[nH]c1C)c1ccc(Cl)s1 ZINC001595287324 980368969 /nfs/dbraw/zinc/36/89/69/980368969.db2.gz QRJRBYBJGICJFF-SNVBAGLBSA-N -1 1 340.832 3.660 20 0 EHADMM CO[C@@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC000902031591 980701967 /nfs/dbraw/zinc/70/19/67/980701967.db2.gz KJDUEDHTZUAOPL-GDBMZVCRSA-N -1 1 349.814 3.664 20 0 EHADMM COc1cc([C@H](C)NCc2ccc(C(=O)[O-])o2)ccc1OCC(C)C ZINC000902137208 980753057 /nfs/dbraw/zinc/75/30/57/980753057.db2.gz CDJBJCIEYKXTLW-ZDUSSCGKSA-N -1 1 347.411 3.872 20 0 EHADMM CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001595364188 980791662 /nfs/dbraw/zinc/79/16/62/980791662.db2.gz PFWBDMNRJALSPN-FLVLSHQESA-N -1 1 329.396 3.969 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN(CCC(F)(F)F)CC1CC1 ZINC000903595093 980978726 /nfs/dbraw/zinc/97/87/26/980978726.db2.gz JXRFNPWKGCJXRX-UHFFFAOYSA-N -1 1 331.334 3.558 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(CC(C)C)s2)cc1 ZINC000683171052 1014713910 /nfs/dbraw/zinc/71/39/10/1014713910.db2.gz FTUUEOVUQDRDRB-MRXNPFEDSA-N -1 1 348.468 3.656 20 0 EHADMM CC[C@@H]1CN([C@H](C)c2nc(C(=O)[O-])co2)CC[C@H]1c1ccccc1 ZINC001595484520 981222597 /nfs/dbraw/zinc/22/25/97/981222597.db2.gz RQTLMAWZJRJDLE-IIAWOOMASA-N -1 1 328.412 3.950 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000909295769 981463748 /nfs/dbraw/zinc/46/37/48/981463748.db2.gz YDEHPRYNVKWVBS-SFHVURJKSA-N -1 1 340.423 3.715 20 0 EHADMM CC[C@@](C)(C(=O)[O-])N(CC(=O)Nc1c(C)cc(C)cc1C)CC1CC1 ZINC001594778649 981779741 /nfs/dbraw/zinc/77/97/41/981779741.db2.gz XOGNBYLCRIDSLZ-FQEVSTJZSA-N -1 1 346.471 3.516 20 0 EHADMM CCCC[C@@H](C(=O)[O-])N1CCc2sc(Br)cc2C1 ZINC001595628129 981781853 /nfs/dbraw/zinc/78/18/53/981781853.db2.gz LMIPCMHECPJBFX-JTQLQIEISA-N -1 1 332.263 3.512 20 0 EHADMM C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000910359999 981890525 /nfs/dbraw/zinc/89/05/25/981890525.db2.gz RNBKMNGZACWJCC-DIFFPNOSSA-N -1 1 349.390 3.566 20 0 EHADMM CCCCCCN(C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595708685 982285589 /nfs/dbraw/zinc/28/55/89/982285589.db2.gz AQBLMGUHYDAHGN-UHFFFAOYSA-N -1 1 326.462 3.514 20 0 EHADMM CC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)Cc1ccccc1 ZINC001596228742 983620435 /nfs/dbraw/zinc/62/04/35/983620435.db2.gz RYMABIPASFFCNG-UHFFFAOYSA-N -1 1 336.391 3.571 20 0 EHADMM CCN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)Cc1ccccc1 ZINC001596228742 983620438 /nfs/dbraw/zinc/62/04/38/983620438.db2.gz RYMABIPASFFCNG-UHFFFAOYSA-N -1 1 336.391 3.571 20 0 EHADMM CCNc1ccccc1C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001596504823 984261107 /nfs/dbraw/zinc/26/11/07/984261107.db2.gz VSVFVIHVEWJYMF-UHFFFAOYSA-N -1 1 348.393 3.874 20 0 EHADMM Cc1[nH]c(C(=O)CN[C@H](c2ccccc2)C(C)(C)C)c(C)c1C(=O)[O-] ZINC001599947382 985550844 /nfs/dbraw/zinc/55/08/44/985550844.db2.gz PMQDEZPPHFVKBX-GOSISDBHSA-N -1 1 342.439 3.889 20 0 EHADMM CC(=O)Nc1cccc([C@H](C)NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001589205420 985668743 /nfs/dbraw/zinc/66/87/43/985668743.db2.gz KFRCFJNKEBYOKA-NSHDSACASA-N -1 1 346.814 3.847 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C[C@H](C)CC[C@H]1c1ccccc1 ZINC001599960549 985772669 /nfs/dbraw/zinc/77/26/69/985772669.db2.gz UPCICIQQXORQFM-ACJLOTCBSA-N -1 1 340.423 3.677 20 0 EHADMM Cc1[nH]c(CN(C)Cc2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC001599962757 985822489 /nfs/dbraw/zinc/82/24/89/985822489.db2.gz SWKICUSTWGBOGS-UHFFFAOYSA-N -1 1 342.317 3.552 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2CC3(CC3)Oc3ccccc32)c1 ZINC000890618703 1015290569 /nfs/dbraw/zinc/29/05/69/1015290569.db2.gz XVZFHWGAPBKAMI-UHFFFAOYSA-N -1 1 327.405 3.686 20 0 EHADMM CCc1[nH]c(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC001597380203 987570009 /nfs/dbraw/zinc/57/00/09/987570009.db2.gz AIKQGDCICWOYCG-UHFFFAOYSA-N -1 1 338.354 3.509 20 0 EHADMM CCc1[nH]c(CN(C)Cc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC001597380203 987570012 /nfs/dbraw/zinc/57/00/12/987570012.db2.gz AIKQGDCICWOYCG-UHFFFAOYSA-N -1 1 338.354 3.509 20 0 EHADMM CCc1oc(CNc2ccc(CN(C)C)c(Cl)c2)cc1C(=O)[O-] ZINC001597805193 989411636 /nfs/dbraw/zinc/41/16/36/989411636.db2.gz WTNZLTMNMGOIPC-UHFFFAOYSA-N -1 1 336.819 3.867 20 0 EHADMM CC(C)(O)C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001590892790 990821909 /nfs/dbraw/zinc/82/19/09/990821909.db2.gz LICXMGBOUOEDNH-CQSZACIVSA-N -1 1 346.254 3.602 20 0 EHADMM COc1cccc2c(CN[C@@H](C(=O)[O-])c3cccs3)cccc12 ZINC001599689967 991052269 /nfs/dbraw/zinc/05/22/69/991052269.db2.gz XNTZTYYEZWPCRV-QGZVFWFLSA-N -1 1 327.405 3.825 20 0 EHADMM CCOc1ccc([C@H](C)NC(=O)c2ccc([O-])cc2F)cc1OCC ZINC000154626560 1015640548 /nfs/dbraw/zinc/64/05/48/1015640548.db2.gz 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ZINC001598518102 992643672 /nfs/dbraw/zinc/64/36/72/992643672.db2.gz QKIVTBFHVGNILP-UHFFFAOYSA-N -1 1 341.798 3.613 20 0 EHADMM CN(Cc1csc(C(=O)[O-])c1)Cc1ccc(OC(F)(F)F)cc1 ZINC001598519140 992657722 /nfs/dbraw/zinc/65/77/22/992657722.db2.gz LMNKZDPEYRACFG-UHFFFAOYSA-N -1 1 345.342 3.977 20 0 EHADMM CN(Cc1cncc(F)c1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598532757 992805397 /nfs/dbraw/zinc/80/53/97/992805397.db2.gz GGXOXKSGQYDAED-CQSZACIVSA-N -1 1 343.185 3.785 20 0 EHADMM CN(Cc1ccsc1)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001598533598 992819382 /nfs/dbraw/zinc/81/93/82/992819382.db2.gz KHOWPWHZVRNXRA-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM CO[C@@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccccc1 ZINC000339847372 1015743312 /nfs/dbraw/zinc/74/33/12/1015743312.db2.gz NKMDLTMFQMKEPT-OAHLLOKOSA-N -1 1 347.827 3.540 20 0 EHADMM COc1ccc2c(c1)C[C@@H](C)N(Cc1csc(C(=O)[O-])c1)[C@H]2C ZINC001599625234 994139157 /nfs/dbraw/zinc/13/91/57/994139157.db2.gz BSNFUWYMSMAWCH-NEPJUHHUSA-N -1 1 331.437 3.963 20 0 EHADMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccc(-n2cccn2)cc1 ZINC001593198338 994171336 /nfs/dbraw/zinc/17/13/36/994171336.db2.gz QJWCJIOWEIFCEN-OLZOCXBDSA-N -1 1 325.368 3.575 20 0 EHADMM O=C(c1cncc([O-])c1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000339894252 1015845712 /nfs/dbraw/zinc/84/57/12/1015845712.db2.gz PCZREGJBCYEBHA-UHFFFAOYSA-N -1 1 330.387 3.870 20 0 EHADMM C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1OCC(=O)[O-] ZINC001593232266 994383350 /nfs/dbraw/zinc/38/33/50/994383350.db2.gz NETRIMFINGXGPU-PXAZEXFGSA-N -1 1 329.371 3.627 20 0 EHADMM C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1cncc(C(=O)[O-])c1 ZINC001593293955 994688141 /nfs/dbraw/zinc/68/81/41/994688141.db2.gz ZTNBAYSLLAOIIM-SECBINFHSA-N -1 1 325.195 3.937 20 0 EHADMM C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1OCC(=O)[O-] ZINC001593299379 994723054 /nfs/dbraw/zinc/72/30/54/994723054.db2.gz TVTRYSIYCHIHKV-LLVKDONJSA-N -1 1 337.778 3.793 20 0 EHADMM C[C@@H](NCc1cccc(C(F)F)c1)c1ccccc1OCC(=O)[O-] ZINC001593304771 994753662 /nfs/dbraw/zinc/75/36/62/994753662.db2.gz RVJAVDHAQAJTKZ-GFCCVEGCSA-N -1 1 335.350 3.938 20 0 EHADMM C[C@@H](Oc1ccccc1CN[C@@H]1CCc2ccc(Cl)cc21)C(=O)[O-] ZINC001593645412 995974591 /nfs/dbraw/zinc/97/45/91/995974591.db2.gz JWCYFKLQCWTFHD-SJKOYZFVSA-N -1 1 345.826 3.969 20 0 EHADMM CC(C)c1ccc(CNCc2ccccc2O[C@H](C)C(=O)[O-])cc1 ZINC001593649564 996004038 /nfs/dbraw/zinc/00/40/38/996004038.db2.gz WMZSWBQLPULUJD-OAHLLOKOSA-N -1 1 327.424 3.952 20 0 EHADMM C[C@H](c1c(F)cccc1F)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593688058 996129612 /nfs/dbraw/zinc/12/96/12/996129612.db2.gz YWFCRTZYYITMLY-ZJUUUORDSA-N -1 1 338.379 3.670 20 0 EHADMM O=C(Nc1cc(F)ccc1SCC(F)F)c1cncc([O-])c1 ZINC000339954752 1016066252 /nfs/dbraw/zinc/06/62/52/1016066252.db2.gz FFYMGLWURVXPEH-UHFFFAOYSA-N -1 1 328.315 3.536 20 0 EHADMM CO[C@@]1(C)CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001599087154 997119461 /nfs/dbraw/zinc/11/94/61/997119461.db2.gz FYBHPIVCHHQJNL-SFHVURJKSA-N -1 1 346.452 3.509 20 0 EHADMM COc1ccc(C2CCN([C@H](C)c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001599538698 997793596 /nfs/dbraw/zinc/79/35/96/997793596.db2.gz SEUDDMRSRXXPGW-GFCCVEGCSA-N -1 1 346.452 3.791 20 0 EHADMM C[C@@H]1CC[C@@](NCc2ccncc2Cl)(C(=O)[O-])c2ccccc21 ZINC001594322200 999241112 /nfs/dbraw/zinc/24/11/12/999241112.db2.gz ZWPSBVCEWJUIES-XIKOKIGWSA-N -1 1 330.815 3.702 20 0 EHADMM COc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)c([O-])c1 ZINC000177630362 1016412403 /nfs/dbraw/zinc/41/24/03/1016412403.db2.gz LNKWSANUGJYILG-UHFFFAOYSA-N -1 1 349.346 3.561 20 0 EHADMM O=C(c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)N1CCCC1 ZINC000430405702 1016785537 /nfs/dbraw/zinc/78/55/37/1016785537.db2.gz YLTORSAHAGXODJ-UHFFFAOYSA-N -1 1 334.375 3.556 20 0 EHADMM O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000180248070 1016894491 /nfs/dbraw/zinc/89/44/91/1016894491.db2.gz VJKBQJBASPUICX-UHFFFAOYSA-N -1 1 336.722 3.555 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS[C@@H]2CCCC[C@@H]21 ZINC000180700833 1016905316 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Cc1cccc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)c1C ZINC000160383740 1032362199 /nfs/dbraw/zinc/36/21/99/1032362199.db2.gz YPXXSIFFPDYYGP-UHFFFAOYSA-N -1 1 335.766 3.562 20 0 EHADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000536892337 1032401858 /nfs/dbraw/zinc/40/18/58/1032401858.db2.gz DXSZPYUNMHJOHE-UHFFFAOYSA-N -1 1 347.436 3.589 20 0 EHADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1 ZINC000536903742 1032417394 /nfs/dbraw/zinc/41/73/94/1032417394.db2.gz GDKWQRVNEXNJGJ-UHFFFAOYSA-N -1 1 345.342 3.692 20 0 EHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000263045010 1032417616 /nfs/dbraw/zinc/41/76/16/1032417616.db2.gz JRRKTDUHCCEYDE-GXSJLCMTSA-N -1 1 335.753 3.901 20 0 EHADMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000460127217 1032603914 /nfs/dbraw/zinc/60/39/14/1032603914.db2.gz CDOOETQFTNTIIA-SWLSCSKDSA-N -1 1 328.412 3.864 20 0 EHADMM COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2ccccc2c1[O-] ZINC000592949338 1032627444 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[O-]c1c(Cl)cc(Nc2ccc(N3CCOCC3)nc2)cc1Cl ZINC001210924807 1019053937 /nfs/dbraw/zinc/05/39/37/1019053937.db2.gz SDYWGACYSOMSMZ-UHFFFAOYSA-N -1 1 340.210 3.674 20 0 EHADMM CCCc1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937057 1019238495 /nfs/dbraw/zinc/23/84/95/1019238495.db2.gz QEUGPXXKGDBFRQ-UHFFFAOYSA-N -1 1 331.352 3.724 20 0 EHADMM O=C([O-])C[C@H](NCc1cnc(C2CCCC2)s1)c1ccncc1 ZINC000580844528 1020136838 /nfs/dbraw/zinc/13/68/38/1020136838.db2.gz RLDDDCYRILESSU-HNNXBMFYSA-N -1 1 331.441 3.501 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(C)c1 ZINC000548150261 1020323308 /nfs/dbraw/zinc/32/33/08/1020323308.db2.gz XSOMACCRHZZIHO-UHFFFAOYSA-N -1 1 330.409 3.594 20 0 EHADMM O=S(=O)([N-]CC1CCCC1)c1c(Cl)cccc1C(F)(F)F ZINC000606903606 1032896073 /nfs/dbraw/zinc/89/60/73/1032896073.db2.gz JDEZVBBOORSXFG-UHFFFAOYSA-N -1 1 341.782 3.827 20 0 EHADMM CC(C)(C)n1cnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)n1 ZINC000345764818 1020496432 /nfs/dbraw/zinc/49/64/32/1020496432.db2.gz 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O=C(c1ccc([O-])cc1F)N1CCC(c2c(F)cccc2F)CC1 ZINC000436676719 1026026051 /nfs/dbraw/zinc/02/60/51/1026026051.db2.gz SIAXGCXRFOJNAU-UHFFFAOYSA-N -1 1 335.325 3.829 20 0 EHADMM O=C(NCc1csc(Br)c1)c1ccc(Cl)cc1[O-] ZINC000398319919 1026029693 /nfs/dbraw/zinc/02/96/93/1026029693.db2.gz YUWODPGXNXMECO-UHFFFAOYSA-N -1 1 346.633 3.800 20 0 EHADMM [O-]c1ccc(-c2nc(CCCOc3ccc(F)cc3)no2)c(F)c1 ZINC000436688657 1026045925 /nfs/dbraw/zinc/04/59/25/1026045925.db2.gz MCSRMOVJSFYGLQ-UHFFFAOYSA-N -1 1 332.306 3.732 20 0 EHADMM COc1ccc2nc(-c3noc(-c4ccc([O-])cc4F)n3)ccc2c1 ZINC000436690253 1026047546 /nfs/dbraw/zinc/04/75/46/1026047546.db2.gz PKERBPXBZZKYPO-UHFFFAOYSA-N -1 1 337.310 3.805 20 0 EHADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436694676 1026052475 /nfs/dbraw/zinc/05/24/75/1026052475.db2.gz HTZUJYBOWSNHRZ-SNVBAGLBSA-N -1 1 335.835 3.797 20 0 EHADMM CC(C)(C)Nc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)nc1 ZINC000436692188 1026053409 /nfs/dbraw/zinc/05/34/09/1026053409.db2.gz 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CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])[nH]1 ZINC000436741424 1026111685 /nfs/dbraw/zinc/11/16/85/1026111685.db2.gz VLLOZMVOXYBNJJ-NWDGAFQWSA-N -1 1 338.411 3.668 20 0 EHADMM O=C(Nc1cccc(OCC(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000436760928 1026130807 /nfs/dbraw/zinc/13/08/07/1026130807.db2.gz UIGXABJLMNGWIQ-UHFFFAOYSA-N -1 1 329.249 3.725 20 0 EHADMM O=C(N[C@@H]1CCCc2occc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870751 1026256939 /nfs/dbraw/zinc/25/69/39/1026256939.db2.gz NUXIAVCVUAPQLV-GFCCVEGCSA-N -1 1 325.286 3.811 20 0 EHADMM CC(C)COC1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000684871526 1026261636 /nfs/dbraw/zinc/26/16/36/1026261636.db2.gz DVKFYOWDSDDEHX-UHFFFAOYSA-N -1 1 345.361 3.688 20 0 EHADMM O=C(NCCCNc1ccccc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874392 1026272708 /nfs/dbraw/zinc/27/27/08/1026272708.db2.gz ROKXUCYJMURUDM-UHFFFAOYSA-N -1 1 338.329 3.643 20 0 EHADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876603 1026289355 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O=c1[n-]c(Oc2ccc(Cl)cc2)nc2c1cnn2-c1ccccc1 ZINC000301360563 1026776161 /nfs/dbraw/zinc/77/61/61/1026776161.db2.gz QBVOHBKFWRMBNL-UHFFFAOYSA-N -1 1 338.754 3.967 20 0 EHADMM Cc1nc(-c2ccc(N(C)[C@H]3CCC[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301389887 1026790048 /nfs/dbraw/zinc/79/00/48/1026790048.db2.gz ZQZXAFGKYCJEAL-WBMJQRKESA-N -1 1 326.444 3.876 20 0 EHADMM Cc1nc(NC(=O)CCC2CC2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000115337862 1026799886 /nfs/dbraw/zinc/79/98/86/1026799886.db2.gz GJFJMMIPIUIFJX-UHFFFAOYSA-N -1 1 349.485 3.836 20 0 EHADMM Cc1ccc(C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c2ccccn2)cc1 ZINC000176721937 1026883674 /nfs/dbraw/zinc/88/36/74/1026883674.db2.gz ZHPNVCOKRIBIQE-CQSZACIVSA-N -1 1 340.320 3.690 20 0 EHADMM FC(F)Cn1cc([N-]c2nn3cc(C4CCCC4)nc3s2)cn1 ZINC000302501018 1027170714 /nfs/dbraw/zinc/17/07/14/1027170714.db2.gz CSXJPYXGISBYBF-UHFFFAOYSA-N -1 1 338.387 3.654 20 0 EHADMM O=C(C[C@H]1C=CCC1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444387943 1027433544 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CCOc1cc([N-]S(=O)(=O)c2cc(C)sc2C)ccc1OC ZINC000055631801 1028281025 /nfs/dbraw/zinc/28/10/25/1028281025.db2.gz LWMAXNRMARTMMW-UHFFFAOYSA-N -1 1 341.454 3.573 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3c(F)ccc(F)c3F)[nH][n-]2)c1 ZINC000444815647 1028320464 /nfs/dbraw/zinc/32/04/64/1028320464.db2.gz VYCBDHGMDSDMEP-UHFFFAOYSA-N -1 1 349.287 3.616 20 0 EHADMM COc1cc(C(=O)N(C)CCc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000153649954 1028477867 /nfs/dbraw/zinc/47/78/67/1028477867.db2.gz PQASIFNJJGEJBJ-UHFFFAOYSA-N -1 1 337.778 3.508 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c(Cl)c1 ZINC000073635626 1028564279 /nfs/dbraw/zinc/56/42/79/1028564279.db2.gz IXYOZFQCFWKEGJ-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@H](C)c2nc(-c3ccccc3C)no2)n1 ZINC000195063595 1028571492 /nfs/dbraw/zinc/57/14/92/1028571492.db2.gz DGDGXTJFJRQPCP-LLVKDONJSA-N -1 1 342.424 3.544 20 0 EHADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074273746 1028606649 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DABXIZJAAVAHGW-UHFFFAOYSA-N -1 1 329.469 3.535 20 0 EHADMM CC(C)CC(=O)Nc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000540175881 1037645461 /nfs/dbraw/zinc/64/54/61/1037645461.db2.gz ZNZZMSRICMSTHO-UHFFFAOYSA-N -1 1 348.349 3.907 20 0 EHADMM Cc1nc(C2CCC2)sc1CC(=O)[N-]OCCCC(F)(F)F ZINC000913727609 1037687760 /nfs/dbraw/zinc/68/77/60/1037687760.db2.gz NUCTYHCWYYFMQB-UHFFFAOYSA-N -1 1 336.379 3.652 20 0 EHADMM O=C(Cc1ccc(F)c(Br)c1)Nc1ccc(F)cc1[O-] ZINC000532621059 1037937134 /nfs/dbraw/zinc/93/71/34/1037937134.db2.gz NTTBWPGIEIJLHU-UHFFFAOYSA-N -1 1 342.139 3.614 20 0 EHADMM O=S(=O)([N-]c1ccncc1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188022332 1037989031 /nfs/dbraw/zinc/98/90/31/1037989031.db2.gz ZRQKFMYJUGDUPR-UHFFFAOYSA-N -1 1 336.722 3.555 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC000180272783 1038111207 /nfs/dbraw/zinc/11/12/07/1038111207.db2.gz GKHQPBFCQGJMNC-UHFFFAOYSA-N -1 1 331.224 3.752 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000397503638 1038252658 /nfs/dbraw/zinc/25/26/58/1038252658.db2.gz TZPANUYQJBBNEE-AAEUAGOBSA-N -1 1 334.803 3.680 20 0 EHADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2nn1C ZINC000461344799 1038342134 /nfs/dbraw/zinc/34/21/34/1038342134.db2.gz WUDZUCJCTCXZFY-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1Cl ZINC000181203721 1038359067 /nfs/dbraw/zinc/35/90/67/1038359067.db2.gz PLVHJZNADUAYIY-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CCC(=O)c1ccc(O)c(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000416234480 1038386764 /nfs/dbraw/zinc/38/67/64/1038386764.db2.gz OEUCZTBKLIOZEH-KRWDZBQOSA-N -1 1 340.423 3.616 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000339131582 1038412046 /nfs/dbraw/zinc/41/20/46/1038412046.db2.gz CRIJNBAHZIVWDC-JKSUJKDBSA-N -1 1 337.354 3.664 20 0 EHADMM Cc1c(C(=O)[N-]N2Cc3ccccc3C2=O)oc2c1c(C)ccc2C ZINC000183832068 1038745049 /nfs/dbraw/zinc/74/50/49/1038745049.db2.gz ISBBQTNTBIXPCX-UHFFFAOYSA-N -1 1 334.375 3.659 20 0 EHADMM Cn1ccnc1[C@@H](NCc1cccc([O-])c1Cl)c1ccc(F)cc1 ZINC000339184576 1038778287 /nfs/dbraw/zinc/77/82/87/1038778287.db2.gz WIJZSGYFZUABJU-KRWDZBQOSA-N -1 1 345.805 3.797 20 0 EHADMM COc1ccc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c([O-])c1 ZINC000195370105 1038945820 /nfs/dbraw/zinc/94/58/20/1038945820.db2.gz ZJUOCJHTKMKBCK-UHFFFAOYSA-N -1 1 325.368 3.584 20 0 EHADMM Cc1ccc(NC(=O)c2ccccc2[O-])c(OCC(F)(F)F)c1 ZINC000195645581 1039062620 /nfs/dbraw/zinc/06/26/20/1039062620.db2.gz RBCIPYSLUZEFIG-UHFFFAOYSA-N -1 1 325.286 3.894 20 0 EHADMM COc1cc(C(=O)N2CCC[C@H](C(C)(C)C)C2)cc(Cl)c1[O-] ZINC000478472655 1039479140 /nfs/dbraw/zinc/47/91/40/1039479140.db2.gz BVLZJIVPMSWUNI-LBPRGKRZSA-N -1 1 325.836 3.953 20 0 EHADMM O=C(Nc1cccc(OCc2cscn2)c1)c1ccccc1[O-] ZINC000156174891 1039594066 /nfs/dbraw/zinc/59/40/66/1039594066.db2.gz QDWDNJCYTWBASJ-UHFFFAOYSA-N -1 1 326.377 3.680 20 0 EHADMM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1cc(Cl)no1 ZINC000912074461 1039681062 /nfs/dbraw/zinc/68/10/62/1039681062.db2.gz 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EHADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc2ncsc2c1 ZINC000479499716 1040306891 /nfs/dbraw/zinc/30/68/91/1040306891.db2.gz IBRIFWQFCCMVPY-UHFFFAOYSA-N -1 1 347.446 3.707 20 0 EHADMM CCCc1nnc([N-]C(=O)c2nc(-c3cccs3)oc2C)s1 ZINC000047075879 1040341186 /nfs/dbraw/zinc/34/11/86/1040341186.db2.gz CVKOUWAZQOPYFP-UHFFFAOYSA-N -1 1 334.426 3.768 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)cc1 ZINC000479578318 1040400782 /nfs/dbraw/zinc/40/07/82/1040400782.db2.gz YYAHZYSOHJBLST-UHFFFAOYSA-N -1 1 345.420 3.997 20 0 EHADMM CCOC1CC(CC(=O)Nc2cc(C)cc(Br)c2[O-])C1 ZINC000190998782 1040524523 /nfs/dbraw/zinc/52/45/23/1040524523.db2.gz DZGUYEAXJKDDSD-UHFFFAOYSA-N -1 1 342.233 3.607 20 0 EHADMM CCNC(=O)c1ccc(C)c(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191388155 1040605416 /nfs/dbraw/zinc/60/54/16/1040605416.db2.gz PRIUKTCGHYRKLC-UHFFFAOYSA-N -1 1 336.794 3.855 20 0 EHADMM CCS[C@H](C(=O)Nc1cccc([O-])c1Br)C(C)C ZINC000908716632 1040610966 /nfs/dbraw/zinc/61/09/66/1040610966.db2.gz JUQJSEXZIKVGHT-LBPRGKRZSA-N 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/nfs/dbraw/zinc/29/67/03/1041296703.db2.gz LFZCGEKNUIIDKO-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM CCC[C@@H](CC)NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000195146803 1041703578 /nfs/dbraw/zinc/70/35/78/1041703578.db2.gz NDPMBWDBCXPBPN-CQSZACIVSA-N -1 1 332.473 3.611 20 0 EHADMM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1c([O-])cccc1F ZINC000643209707 1042462773 /nfs/dbraw/zinc/46/27/73/1042462773.db2.gz UPHQXEXQNUXGFM-UHFFFAOYSA-N -1 1 333.750 3.647 20 0 EHADMM O=C([O-])CCC1CCN(Cc2cccc(F)c2OC(F)F)CC1 ZINC000662215740 1042609629 /nfs/dbraw/zinc/60/96/29/1042609629.db2.gz IBZFEZXBVUKCSP-UHFFFAOYSA-N -1 1 331.334 3.504 20 0 EHADMM CCOc1cccc(CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000186628585 1042679622 /nfs/dbraw/zinc/67/96/22/1042679622.db2.gz FLPPNAAPHIBPGN-UHFFFAOYSA-N -1 1 349.814 3.773 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ncc(-c2ccccc2)o1 ZINC000186927500 1042728854 /nfs/dbraw/zinc/72/88/54/1042728854.db2.gz MABKDOTYUCQGMU-NSHDSACASA-N -1 1 326.327 3.677 20 0 EHADMM CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159340244 1042844162 /nfs/dbraw/zinc/84/41/62/1042844162.db2.gz ZNLWWKJHBGTOHM-UHFFFAOYSA-N -1 1 346.452 3.862 20 0 EHADMM Cc1ccccc1[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(C)(C)C ZINC000432342791 1042976858 /nfs/dbraw/zinc/97/68/58/1042976858.db2.gz NRILIXIWZMWVPH-QGZVFWFLSA-N -1 1 349.434 3.749 20 0 EHADMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)nc2C)cc1 ZINC000183490918 1125576103 /nfs/dbraw/zinc/57/61/03/1125576103.db2.gz CMMJHGQIVWFXFP-MRXNPFEDSA-N -1 1 339.395 3.595 20 0 EHADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1nc(C)cs1 ZINC000153767106 1125658775 /nfs/dbraw/zinc/65/87/75/1125658775.db2.gz KYHVHVBHITYVRL-LLVKDONJSA-N -1 1 340.832 3.700 20 0 EHADMM COc1cc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000153939427 1125676611 /nfs/dbraw/zinc/67/66/11/1125676611.db2.gz FJXGLULRDONNDC-NWDGAFQWSA-N -1 1 333.815 3.976 20 0 EHADMM CSc1nc(CNC(=O)C=C[C@]2(C)CC[C@@H](C)C2(C)C)cc(=O)[n-]1 ZINC000824952200 1131234361 /nfs/dbraw/zinc/23/43/61/1131234361.db2.gz LTADXQHKCYFWTR-XHKWIDSSSA-N -1 1 349.500 3.539 20 0 EHADMM CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[O-])c1cccnc1 ZINC000622714632 1126749529 /nfs/dbraw/zinc/74/95/29/1126749529.db2.gz KAVHLENUNRPUKH-UHFFFAOYSA-N -1 1 338.329 3.514 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)c1 ZINC000172184236 1126783518 /nfs/dbraw/zinc/78/35/18/1126783518.db2.gz FGSPXWFSHALDCC-UHFFFAOYSA-N -1 1 339.420 3.561 20 0 EHADMM Cc1nn(C(C)C)c(C)c1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350581410 1127088066 /nfs/dbraw/zinc/08/80/66/1127088066.db2.gz QCCPHRPKFSEODO-UHFFFAOYSA-N -1 1 330.363 3.566 20 0 EHADMM COc1cc(F)c([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1F ZINC000180003533 1127108347 /nfs/dbraw/zinc/10/83/47/1127108347.db2.gz JSPYFIRXIXKCLI-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM Cc1nc2ccccc2n1CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000010737312 1127633476 /nfs/dbraw/zinc/63/34/76/1127633476.db2.gz MIDPUQYRSPSRBL-UHFFFAOYSA-N -1 1 345.402 3.634 20 0 EHADMM COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c([O-])c1 ZINC000011917581 1127639638 /nfs/dbraw/zinc/63/96/38/1127639638.db2.gz JGCLFNOJVFGGII-UHFFFAOYSA-N -1 1 341.363 3.695 20 0 EHADMM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H](C)C2CCCC2)[nH]1 ZINC001127966794 1127757661 /nfs/dbraw/zinc/75/76/61/1127757661.db2.gz RLTBJDSNRCFGML-GFCCVEGCSA-N -1 1 335.448 3.694 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c([O-])c1 ZINC000031245250 1127831364 /nfs/dbraw/zinc/83/13/64/1127831364.db2.gz BOKTWSZMVMTJQX-UHFFFAOYSA-N -1 1 327.380 3.975 20 0 EHADMM Cc1ccc(NC(=O)CC(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611958 1127983692 /nfs/dbraw/zinc/98/36/92/1127983692.db2.gz FYYVXKIQUNIZCN-UHFFFAOYSA-N -1 1 346.452 3.780 20 0 EHADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)C[C@@H](C)CC(C)C)CC1 ZINC000068452803 1128267199 /nfs/dbraw/zinc/26/71/99/1128267199.db2.gz XOYLBZQCZJUCIG-ZDUSSCGKSA-N -1 1 338.521 3.739 20 0 EHADMM C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782841 1128356761 /nfs/dbraw/zinc/35/67/61/1128356761.db2.gz HTEKCFCPCBBYLL-XHDPSFHLSA-N -1 1 326.234 3.697 20 0 EHADMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001212390045 1128395710 /nfs/dbraw/zinc/39/57/10/1128395710.db2.gz GJJDKLVCENNFKH-WPRPVWTQSA-N -1 1 347.914 3.727 20 0 EHADMM CCOc1cc(-c2noc(-c3conc3CC)n2)cc(Cl)c1[O-] ZINC000624574331 1128396418 /nfs/dbraw/zinc/39/64/18/1128396418.db2.gz HTYMBYONOMJCEY-UHFFFAOYSA-N -1 1 335.747 3.712 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2ccn(-c3ccc(F)cc3)n2)n1 ZINC000303881247 1128704870 /nfs/dbraw/zinc/70/48/70/1128704870.db2.gz JCKARPMJRRFXRN-UHFFFAOYSA-N -1 1 344.415 3.752 20 0 EHADMM CSC1(CNC(=O)NCc2ccc([O-])c(Cl)c2)CCCCC1 ZINC001687490780 1128821600 /nfs/dbraw/zinc/82/16/00/1128821600.db2.gz CCFDGTRTSWTXPP-UHFFFAOYSA-N -1 1 342.892 3.911 20 0 EHADMM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672214178 1128851768 /nfs/dbraw/zinc/85/17/68/1128851768.db2.gz PHIQEZXSCCHZSE-DGCLKSJQSA-N -1 1 345.361 3.567 20 0 EHADMM O=C(Nc1c[n-][nH]c1=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC001648814321 1120046970 /nfs/dbraw/zinc/04/69/70/1120046970.db2.gz NAVMCNZECQNJHJ-OAHLLOKOSA-N -1 1 325.393 3.587 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(C(F)F)cc1 ZINC000338759541 1128893005 /nfs/dbraw/zinc/89/30/05/1128893005.db2.gz ZJADKPZOFLRWQE-UHFFFAOYSA-N -1 1 329.306 3.972 20 0 EHADMM C[C@H](c1ccccc1)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195115467 1120226906 /nfs/dbraw/zinc/22/69/06/1120226906.db2.gz LTOMKTSUNIUCNV-LLVKDONJSA-N -1 1 347.827 3.660 20 0 EHADMM C[C@H](c1ccccc1)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195115467 1120226907 /nfs/dbraw/zinc/22/69/07/1120226907.db2.gz LTOMKTSUNIUCNV-LLVKDONJSA-N -1 1 347.827 3.660 20 0 EHADMM CCc1ocnc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000265783237 1128902396 /nfs/dbraw/zinc/90/23/96/1128902396.db2.gz POMUXSPZVNWZEA-UHFFFAOYSA-N -1 1 328.397 3.625 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 ZINC000615225484 1120544252 /nfs/dbraw/zinc/54/42/52/1120544252.db2.gz CMBXPUXEDHECID-UHFFFAOYSA-N -1 1 327.428 3.998 20 0 EHADMM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000495270712 1121031090 /nfs/dbraw/zinc/03/10/90/1121031090.db2.gz ASUNKYMQTSOLPD-AWEZNQCLSA-N -1 1 335.407 3.908 20 0 EHADMM CCOc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(OC)c1 ZINC001213120849 1121141020 /nfs/dbraw/zinc/14/10/20/1121141020.db2.gz BXOCNIGGJBNGRU-UHFFFAOYSA-N -1 1 325.368 3.729 20 0 EHADMM CCSCc1ccnc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000762408968 1121286566 /nfs/dbraw/zinc/28/65/66/1121286566.db2.gz PIOXOCPJEHJGMO-UHFFFAOYSA-N -1 1 346.456 3.514 20 0 EHADMM CCc1coc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000495678935 1121352322 /nfs/dbraw/zinc/35/23/22/1121352322.db2.gz FBZRNDUMSJUMDT-UHFFFAOYSA-N -1 1 347.371 3.542 20 0 EHADMM CCOc1cc(C(=O)N2CCc3cc(C)ccc32)cc(Cl)c1[O-] ZINC000762625003 1121383097 /nfs/dbraw/zinc/38/30/97/1121383097.db2.gz RVZFJFJSNAEYBW-UHFFFAOYSA-N -1 1 331.799 3.956 20 0 EHADMM Cc1ccncc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000495754066 1121401925 /nfs/dbraw/zinc/40/19/25/1121401925.db2.gz IRAWLJKXSBFZAN-UHFFFAOYSA-N -1 1 343.383 3.695 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000315737215 1121515756 /nfs/dbraw/zinc/51/57/56/1121515756.db2.gz GKPBJBLNNYIZFT-JTQLQIEISA-N -1 1 333.762 3.628 20 0 EHADMM CC[C@H](C)[C@H](NC(=O)OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000495969881 1121591536 /nfs/dbraw/zinc/59/15/36/1121591536.db2.gz LYPXCRONDLRVAP-UFBFGSQYSA-N -1 1 339.779 3.539 20 0 EHADMM COC(=O)c1cccc(OC)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214490030 1128998601 /nfs/dbraw/zinc/99/86/01/1128998601.db2.gz NMTWFDQFHVVWLZ-UHFFFAOYSA-N -1 1 325.723 3.724 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3nc(C)sc3c2)c1 ZINC000055160450 1121799865 /nfs/dbraw/zinc/79/98/65/1121799865.db2.gz MGVWQRXHWWGZAC-UHFFFAOYSA-N -1 1 341.392 3.521 20 0 EHADMM O=S(=O)([N-]c1ccccc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000032590636 1121965059 /nfs/dbraw/zinc/96/50/59/1121965059.db2.gz DBQYPPDBZCSFPS-UHFFFAOYSA-N -1 1 333.743 3.742 20 0 EHADMM CC(C)(C)c1nc(CSc2nc([O-])cc(=O)n2C2CCCC2)co1 ZINC000916586090 1122209475 /nfs/dbraw/zinc/20/94/75/1122209475.db2.gz SPIIYQBYPBFGJD-UHFFFAOYSA-N -1 1 349.456 3.642 20 0 EHADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1(C)C ZINC000670417680 1122706811 /nfs/dbraw/zinc/70/68/11/1122706811.db2.gz FLUQOYOFCPBCCB-UONOGXRCSA-N -1 1 345.361 3.687 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(C)s1 ZINC000497950071 1122710175 /nfs/dbraw/zinc/71/01/75/1122710175.db2.gz OCBGSJGEYHFTAD-UHFFFAOYSA-N -1 1 337.466 3.955 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1Cl ZINC000071975904 1123030776 /nfs/dbraw/zinc/03/07/76/1123030776.db2.gz FHHXVJFPIFBGAP-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM CC(C)(NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000312445461 1129094701 /nfs/dbraw/zinc/09/47/01/1129094701.db2.gz QVNRYGBJMZPWOU-UHFFFAOYSA-N -1 1 334.213 3.820 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H](c1ccccc1)C1CC1 ZINC000498879330 1123097342 /nfs/dbraw/zinc/09/73/42/1123097342.db2.gz YNTJDZZJKMMOLP-LJQANCHMSA-N -1 1 333.391 3.915 20 0 EHADMM CCN(CC(=O)Nc1c([O-])cccc1F)Cc1ccccc1Cl ZINC000672901459 1129103488 /nfs/dbraw/zinc/10/34/88/1129103488.db2.gz YIRSZBMGSOWLHJ-UHFFFAOYSA-N -1 1 336.794 3.645 20 0 EHADMM CC(C)CCN(CCC(C)C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074273695 1123281406 /nfs/dbraw/zinc/28/14/06/1123281406.db2.gz FZZBIEBYCNHYLL-UHFFFAOYSA-N -1 1 329.444 3.870 20 0 EHADMM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000132940502 1123321018 /nfs/dbraw/zinc/32/10/18/1123321018.db2.gz ZYWDFCYPPWODAK-RHSMWYFYSA-N -1 1 331.799 3.696 20 0 EHADMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1c([O-])cccc1Cl ZINC000920444671 1123369396 /nfs/dbraw/zinc/36/93/96/1123369396.db2.gz JKGURNNQDGDIBK-LLVKDONJSA-N -1 1 347.798 3.525 20 0 EHADMM CN(CCCOc1ccc(F)cc1)C(=O)c1c([O-])cccc1Cl ZINC000920448142 1123371195 /nfs/dbraw/zinc/37/11/95/1123371195.db2.gz BBJUKSGHQIFSQA-UHFFFAOYSA-N -1 1 337.778 3.726 20 0 EHADMM O=C(NCCCn1ccc2ccccc21)c1c([O-])cccc1Cl ZINC000920431567 1123372483 /nfs/dbraw/zinc/37/24/83/1123372483.db2.gz FMCRLMPEYLGPHM-UHFFFAOYSA-N -1 1 328.799 3.820 20 0 EHADMM CCC/C=C\C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000920465408 1123372840 /nfs/dbraw/zinc/37/28/40/1123372840.db2.gz YEDUJSWKGCCNSH-ACAGNQJTSA-N -1 1 344.436 3.782 20 0 EHADMM CC(C)[C@H](CNC(=O)c1c([O-])cccc1Cl)Nc1ccccc1 ZINC000920438269 1123373864 /nfs/dbraw/zinc/37/38/64/1123373864.db2.gz XJHZMTNDXNXWQH-HNNXBMFYSA-N -1 1 332.831 3.912 20 0 EHADMM O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc2ccccc2c1[O-] ZINC000921147795 1123477082 /nfs/dbraw/zinc/47/70/82/1123477082.db2.gz VBTUPJTWKZDXBY-UHFFFAOYSA-N -1 1 343.386 3.661 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1F)c1cc2ccccc2o1 ZINC000134207327 1123500825 /nfs/dbraw/zinc/50/08/25/1123500825.db2.gz QYFGZYLSJJGNBJ-BXUZGUMPSA-N -1 1 349.358 3.545 20 0 EHADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000134686012 1123542412 /nfs/dbraw/zinc/54/24/12/1123542412.db2.gz FYBLZKZEISXGJW-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000077702199 1123575130 /nfs/dbraw/zinc/57/51/30/1123575130.db2.gz QNNFVMGPHCBSJJ-UHFFFAOYSA-N -1 1 334.416 3.535 20 0 EHADMM CCN(Cc1ccccc1C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000135259134 1123595075 /nfs/dbraw/zinc/59/50/75/1123595075.db2.gz RGCGHSFVAYCLAU-UHFFFAOYSA-N -1 1 335.407 3.615 20 0 EHADMM CCN(Cc1ccccc1C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000135259134 1123595080 /nfs/dbraw/zinc/59/50/80/1123595080.db2.gz RGCGHSFVAYCLAU-UHFFFAOYSA-N -1 1 335.407 3.615 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(F)c(Br)c2)c([O-])c1 ZINC000135391397 1123607714 /nfs/dbraw/zinc/60/77/14/1123607714.db2.gz QBOHEUYQJVJYOR-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM CCCCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(C)(C)C ZINC000734515392 1131244628 /nfs/dbraw/zinc/24/46/28/1131244628.db2.gz XVJXGUOYNMMJKO-OAHLLOKOSA-N -1 1 329.444 3.648 20 0 EHADMM CN(CCC1CCCCC1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735297836 1131328952 /nfs/dbraw/zinc/32/89/52/1131328952.db2.gz QTHSHJOWRXMOED-UHFFFAOYSA-N -1 1 331.489 3.862 20 0 EHADMM O=S(=O)(Nc1ccc([O-])c(Cl)c1)C1=Cc2ccccc2CC1 ZINC000182493926 1125315933 /nfs/dbraw/zinc/31/59/33/1125315933.db2.gz CYDICNFINYDKPW-UHFFFAOYSA-N -1 1 335.812 3.775 20 0 EHADMM O=C(CCCc1nnc(-c2ccccc2)o1)Nc1c([O-])cccc1F ZINC000078806986 1129199224 /nfs/dbraw/zinc/19/92/24/1129199224.db2.gz JSGQGEFRYIOEPS-UHFFFAOYSA-N -1 1 341.342 3.543 20 0 EHADMM CSc1ccc([C@@H](CN=c2[n-]nc(C(C)C)s2)N(C)C)cc1 ZINC000338839921 1129428828 /nfs/dbraw/zinc/42/88/28/1129428828.db2.gz ZCKYBAFWOGIJNV-CQSZACIVSA-N -1 1 336.530 3.520 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cccc(Cl)c1F ZINC000499744948 1129447945 /nfs/dbraw/zinc/44/79/45/1129447945.db2.gz WTQJBWPYARPVSP-SECBINFHSA-N -1 1 341.782 3.583 20 0 EHADMM CCOc1cc(C(=O)NNc2cc(C)cc(C)c2)cc(Cl)c1[O-] ZINC000186902650 1129901803 /nfs/dbraw/zinc/90/18/03/1129901803.db2.gz JKMUKVMNOQORQK-UHFFFAOYSA-N -1 1 334.803 3.818 20 0 EHADMM CSc1ccncc1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC000674255949 1130034000 /nfs/dbraw/zinc/03/40/00/1130034000.db2.gz GCEKEYALQRUZLS-UHFFFAOYSA-N -1 1 329.356 3.850 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(Cl)c(F)c2)c1 ZINC000766219493 1131431225 /nfs/dbraw/zinc/43/12/25/1131431225.db2.gz FKQUGSFZJCYZJX-UHFFFAOYSA-N -1 1 336.746 3.787 20 0 EHADMM Cc1cc(F)c(F)c(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689441 1131899601 /nfs/dbraw/zinc/89/96/01/1131899601.db2.gz DYLGAQOWAFBKFK-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1cc(F)c(F)c(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689441 1131899610 /nfs/dbraw/zinc/89/96/10/1131899610.db2.gz DYLGAQOWAFBKFK-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1ccc(N2CCC[C@@H](NC(=O)c3c([O-])cccc3Cl)C2)cc1 ZINC000743718150 1131969901 /nfs/dbraw/zinc/96/99/01/1131969901.db2.gz JAZGCRPKFQEZRV-CQSZACIVSA-N -1 1 344.842 3.753 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCc2ccccc2)c1 ZINC000744755981 1132143738 /nfs/dbraw/zinc/14/37/38/1132143738.db2.gz ANNGCYQMAKAJDS-UHFFFAOYSA-N -1 1 326.392 3.703 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000744863571 1132159446 /nfs/dbraw/zinc/15/94/46/1132159446.db2.gz ZTSVAXOIGFDTHU-UHFFFAOYSA-N -1 1 347.436 3.748 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2cccc(Cl)c2)c1 ZINC000744942075 1132169979 /nfs/dbraw/zinc/16/99/79/1132169979.db2.gz PCXATDAHZHZLFT-UHFFFAOYSA-N -1 1 332.783 3.577 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(-c3ccccc3)[nH]2)c1 ZINC000745008497 1132175314 /nfs/dbraw/zinc/17/53/14/1132175314.db2.gz WOWGLRWIGWOFSY-UHFFFAOYSA-N -1 1 349.386 3.989 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000745048542 1132182977 /nfs/dbraw/zinc/18/29/77/1132182977.db2.gz VUSHVKOBZFIWOM-KRWDZBQOSA-N -1 1 338.403 3.801 20 0 EHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccc(N2CCOCC2)nc1 ZINC001174975947 1132509624 /nfs/dbraw/zinc/50/96/24/1132509624.db2.gz GRCHAWNRYJZVMC-UHFFFAOYSA-N -1 1 340.210 3.674 20 0 EHADMM Fc1cccc2c1CCCN2Cn1[n-]c(-c2ccccn2)nc1=S ZINC000766353133 1132515776 /nfs/dbraw/zinc/51/57/76/1132515776.db2.gz UETLLBPMUDGEOC-UHFFFAOYSA-N -1 1 341.415 3.552 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)c(F)c2)c1 ZINC001175205303 1132586004 /nfs/dbraw/zinc/58/60/04/1132586004.db2.gz JBGJYEHYQSDNLX-UHFFFAOYSA-N -1 1 329.780 3.722 20 0 EHADMM O=C(CCc1ccc(F)nc1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001175394246 1132659254 /nfs/dbraw/zinc/65/92/54/1132659254.db2.gz KOIDRXKBUUGBKP-UHFFFAOYSA-N -1 1 328.265 3.516 20 0 EHADMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(SC(C)C)cc1 ZINC001175623651 1132716009 /nfs/dbraw/zinc/71/60/09/1132716009.db2.gz KVDLVTRCMXZBMU-UHFFFAOYSA-N -1 1 336.482 3.879 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2N)cc1Cl ZINC001175874305 1132790217 /nfs/dbraw/zinc/79/02/17/1132790217.db2.gz YCAHYOWRTUGYGZ-UHFFFAOYSA-N -1 1 340.832 3.510 20 0 EHADMM Cc1cc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc(C)c1Cl ZINC001176338358 1132903452 /nfs/dbraw/zinc/90/34/52/1132903452.db2.gz SQFKGNDDASGUKJ-UHFFFAOYSA-N -1 1 325.817 3.810 20 0 EHADMM CCN(CC)C(=O)c1cc(F)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001176298011 1132907124 /nfs/dbraw/zinc/90/71/24/1132907124.db2.gz NEZCLIKBIYEBFB-UHFFFAOYSA-N -1 1 337.782 3.805 20 0 EHADMM Cc1ccccc1-c1cnc(COC(=O)c2ccc([O-])cc2F)o1 ZINC000773570844 1132921909 /nfs/dbraw/zinc/92/19/09/1132921909.db2.gz DRTOSAXDWMKQBZ-UHFFFAOYSA-N -1 1 327.311 3.852 20 0 EHADMM O=S(=O)([N-]CCC1=CCCCC1)c1c(Cl)ccnc1Cl ZINC000767075890 1132942482 /nfs/dbraw/zinc/94/24/82/1132942482.db2.gz HMTHPBZZTXVBRO-UHFFFAOYSA-N -1 1 335.256 3.557 20 0 EHADMM CCc1cc(C(=O)OC)c(Nc2c(F)cc(F)c([O-])c2F)s1 ZINC001176664358 1132978682 /nfs/dbraw/zinc/97/86/82/1132978682.db2.gz VWOCULOHDKFXLQ-UHFFFAOYSA-N -1 1 331.315 3.964 20 0 EHADMM COc1cc(OC)c(Nc2c(F)cc(F)c([O-])c2F)c(OC)c1 ZINC001176672933 1132979713 /nfs/dbraw/zinc/97/97/13/1132979713.db2.gz OFXAWXYQVUMIEU-UHFFFAOYSA-N -1 1 329.274 3.579 20 0 EHADMM COC(=O)c1cccc(Cl)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176673744 1132980614 /nfs/dbraw/zinc/98/06/14/1132980614.db2.gz ZEHHUEAKJHMSGP-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(-c3ccncc3)cc2)c1 ZINC001176697358 1132984603 /nfs/dbraw/zinc/98/46/03/1132984603.db2.gz FNVLHLOSJDZSNV-UHFFFAOYSA-N -1 1 340.404 3.601 20 0 EHADMM O=C(Nc1ncsc1C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001176738076 1132989769 /nfs/dbraw/zinc/98/97/69/1132989769.db2.gz LRAVAXYTYKKGQN-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000773585428 1132993170 /nfs/dbraw/zinc/99/31/70/1132993170.db2.gz UVJGLHZXZWPABW-ZDUSSCGKSA-N -1 1 345.370 3.641 20 0 EHADMM C[C@H](CCOc1ccccc1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176994696 1133019387 /nfs/dbraw/zinc/01/93/87/1133019387.db2.gz WVZBEXJHRHCMEB-CYBMUJFWSA-N -1 1 333.815 3.767 20 0 EHADMM C[C@@H](NC(=O)c1ncccc1[O-])c1cc(Cl)cc(Cl)c1F ZINC001177319914 1133053869 /nfs/dbraw/zinc/05/38/69/1133053869.db2.gz BFOWEHOIPGZIIZ-SSDOTTSWSA-N -1 1 329.158 3.724 20 0 EHADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1nc2cc(Cl)ccc2[nH]1 ZINC000768095822 1133091119 /nfs/dbraw/zinc/09/11/19/1133091119.db2.gz VUTYPNZCKUUCIX-MRVPVSSYSA-N -1 1 333.750 3.552 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000768387245 1133135829 /nfs/dbraw/zinc/13/58/29/1133135829.db2.gz UPJXBEAWVDJRSV-UHFFFAOYSA-N -1 1 332.762 3.509 20 0 EHADMM COCc1ccc([C@H]2CCCN2C(=O)c2c([O-])cccc2Cl)o1 ZINC000768670675 1133168965 /nfs/dbraw/zinc/16/89/65/1133168965.db2.gz LNVJKAHMPPIYGO-CYBMUJFWSA-N -1 1 335.787 3.762 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[nH]1 ZINC000768862975 1133199731 /nfs/dbraw/zinc/19/97/31/1133199731.db2.gz NPIMNFHFZXFDGD-FPLPWBNLSA-N -1 1 339.848 3.773 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccc2c(c1)CCO2 ZINC001179469328 1133253502 /nfs/dbraw/zinc/25/35/02/1133253502.db2.gz BVYVSFUBBMMAAN-GFCCVEGCSA-N -1 1 349.386 3.677 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1COC[C@H]1c1ccccc1 ZINC001179660359 1133267780 /nfs/dbraw/zinc/26/77/80/1133267780.db2.gz QZOKEFHLTVDUPD-RYUDHWBXSA-N -1 1 335.762 3.553 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1c([O-])cccc1Cl ZINC000769762713 1133338795 /nfs/dbraw/zinc/33/87/95/1133338795.db2.gz LDNSWSBSGMYDQS-SFHVURJKSA-N -1 1 338.794 3.960 20 0 EHADMM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1c([O-])cccc1Cl ZINC000769860368 1133351344 /nfs/dbraw/zinc/35/13/44/1133351344.db2.gz XAYAXHRAHTXRBK-SFHVURJKSA-N -1 1 345.826 3.943 20 0 EHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](c2ccccc2)CO1 ZINC000769924697 1133368426 /nfs/dbraw/zinc/36/84/26/1133368426.db2.gz AXZILHXGYXMLFP-IUODEOHRSA-N -1 1 331.799 3.648 20 0 EHADMM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1c([O-])cccc1Cl ZINC000770096833 1133386344 /nfs/dbraw/zinc/38/63/44/1133386344.db2.gz NAAJCBJYMLCXAB-BBRMVZONSA-N -1 1 345.826 3.943 20 0 EHADMM Cn1c2ccccc2nc1C(C)(C)NC(=O)c1c([O-])cccc1Cl ZINC000771493825 1133564836 /nfs/dbraw/zinc/56/48/36/1133564836.db2.gz IKRCKJPHVAVZLX-UHFFFAOYSA-N -1 1 343.814 3.597 20 0 EHADMM O=C(Nc1ccncc1[O-])c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001182627184 1133707426 /nfs/dbraw/zinc/70/74/26/1133707426.db2.gz OICGATFSCRHLED-UHFFFAOYSA-N -1 1 342.301 3.532 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)cc(Br)c1F ZINC001183054836 1133764529 /nfs/dbraw/zinc/76/45/29/1133764529.db2.gz VTWPUCZXLFOGOD-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM CC(C)[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)[C@H]1C(C)C ZINC001183459258 1133809757 /nfs/dbraw/zinc/80/97/57/1133809757.db2.gz BPTWNWKDOZLNIU-DOMZBBRYSA-N -1 1 340.261 3.907 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c1 ZINC000786882034 1133923360 /nfs/dbraw/zinc/92/33/60/1133923360.db2.gz ZGEGFYYFIMIMBE-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1[O-])c1ccc(O)cc1 ZINC001184282886 1133923427 /nfs/dbraw/zinc/92/34/27/1133923427.db2.gz NDCQBBDUCDELER-VIFPVBQESA-N -1 1 325.286 3.859 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC001185166234 1134042767 /nfs/dbraw/zinc/04/27/67/1134042767.db2.gz FSAMPRCLYKMEDP-SECBINFHSA-N -1 1 342.233 3.928 20 0 EHADMM O=S(=O)([N-]c1ccc2occc2c1)c1ccc(-c2cnco2)cc1 ZINC001185229683 1134053757 /nfs/dbraw/zinc/05/37/57/1134053757.db2.gz NFBUCDRCSCUGJC-UHFFFAOYSA-N -1 1 340.360 3.889 20 0 EHADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)ccnc1Cl ZINC000788205475 1134094369 /nfs/dbraw/zinc/09/43/69/1134094369.db2.gz MLSVXRZORXLQBE-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM O=S(=O)([N-]CC1(c2ccc(F)cc2)CC1)c1sccc1Cl ZINC001185495988 1134098900 /nfs/dbraw/zinc/09/89/00/1134098900.db2.gz PMNZBYXZFOVIAM-UHFFFAOYSA-N -1 1 345.848 3.551 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)ccc1Cl ZINC001185520626 1134102508 /nfs/dbraw/zinc/10/25/08/1134102508.db2.gz HOBCLDZJXNNAEQ-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1F ZINC001185529881 1134103744 /nfs/dbraw/zinc/10/37/44/1134103744.db2.gz MJVAIZBWGDSEGM-UHFFFAOYSA-N -1 1 343.807 3.735 20 0 EHADMM CC[C@H](C)CCC(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001185570636 1134107868 /nfs/dbraw/zinc/10/78/68/1134107868.db2.gz ALCHLIPDYHVKGK-VIFPVBQESA-N -1 1 330.222 3.928 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1)c1ccc2n[nH]cc2c1 ZINC001185990455 1134153546 /nfs/dbraw/zinc/15/35/46/1134153546.db2.gz OTPCTEJJTZWJPD-UHFFFAOYSA-N -1 1 339.376 3.624 20 0 EHADMM CC(C)(C)OCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001186036548 1134163274 /nfs/dbraw/zinc/16/32/74/1134163274.db2.gz AGXCBHWEZCAESP-UHFFFAOYSA-N -1 1 347.889 3.648 20 0 EHADMM CCOC(=O)c1c(C)nsc1Nc1c(F)ccc([O-])c1Cl ZINC001250228371 1134166406 /nfs/dbraw/zinc/16/64/06/1134166406.db2.gz ZDDFUPANHORDOS-UHFFFAOYSA-N -1 1 330.768 3.870 20 0 EHADMM CCCN1CCc2c(N)sc(NC(=O)c3cccc([S-])c3)c2C1 ZINC001186130250 1134172505 /nfs/dbraw/zinc/17/25/05/1134172505.db2.gz KAESNCZBBZHFBS-UHFFFAOYSA-N -1 1 347.509 3.639 20 0 EHADMM O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cccc([S-])c1 ZINC001186157342 1134176848 /nfs/dbraw/zinc/17/68/48/1134176848.db2.gz YOEZGJDEYFMXMZ-UHFFFAOYSA-N -1 1 345.855 3.868 20 0 EHADMM O=C(Nc1cccc(OC(F)(F)F)c1F)c1ccc([O-])c(F)c1 ZINC001186226364 1134182579 /nfs/dbraw/zinc/18/25/79/1134182579.db2.gz MYBDJWSOIKNTDJ-UHFFFAOYSA-N -1 1 333.212 3.821 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001186219179 1134188425 /nfs/dbraw/zinc/18/84/25/1134188425.db2.gz NVUBYMIYORBVLU-FQEVSTJZSA-N -1 1 343.373 3.791 20 0 EHADMM C[C@@H]1OC2(CCN(C(=O)c3ccc([O-])c(F)c3)CC2)c2ccccc21 ZINC001186220191 1134189032 /nfs/dbraw/zinc/18/90/32/1134189032.db2.gz ZQADETOPHUIMSZ-ZDUSSCGKSA-N -1 1 341.382 3.754 20 0 EHADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc4nsnc4c3)ccc2o1 ZINC001186262914 1134189958 /nfs/dbraw/zinc/18/99/58/1134189958.db2.gz HYAITJOCXWABHP-UHFFFAOYSA-N -1 1 345.405 3.547 20 0 EHADMM O=C(Nc1cccc(OC(F)(F)F)c1F)c1ccc([O-])cc1F ZINC001186328774 1134195591 /nfs/dbraw/zinc/19/55/91/1134195591.db2.gz ITNQWNDZMZFKOC-UHFFFAOYSA-N -1 1 333.212 3.821 20 0 EHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)N[C@H](C)C1CCCCC1 ZINC001186363326 1134201888 /nfs/dbraw/zinc/20/18/88/1134201888.db2.gz UPATXFGEIDCXGV-CQSZACIVSA-N -1 1 342.443 3.977 20 0 EHADMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccc([O-])cc1F ZINC001186339366 1134204950 /nfs/dbraw/zinc/20/49/50/1134204950.db2.gz FSQYLLYNTNYXPS-QABNGEJJSA-N -1 1 325.383 3.843 20 0 EHADMM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC001186696573 1134244619 /nfs/dbraw/zinc/24/46/19/1134244619.db2.gz GYLPTHOTSXKACH-GHMZBOCLSA-N -1 1 335.391 3.597 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1F)c1cc2c(s1)CCCC2 ZINC001187174058 1134310820 /nfs/dbraw/zinc/31/08/20/1134310820.db2.gz OXGILJLAWSOLFO-UHFFFAOYSA-N -1 1 329.393 3.706 20 0 EHADMM O=S(=O)(CCc1cccc2ccccc21)[N-]c1ccccc1O ZINC001187641441 1134360789 /nfs/dbraw/zinc/36/07/89/1134360789.db2.gz GATFBGYFRBGBOE-UHFFFAOYSA-N -1 1 327.405 3.530 20 0 EHADMM CCOc1c(Cl)cccc1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790053906 1134366455 /nfs/dbraw/zinc/36/64/55/1134366455.db2.gz DTCNVBAEDDTEME-UHFFFAOYSA-N -1 1 341.194 3.674 20 0 EHADMM CSc1cccc(NC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001188024439 1134418659 /nfs/dbraw/zinc/41/86/59/1134418659.db2.gz WFYTVDBYWZNIEY-UHFFFAOYSA-N -1 1 340.408 3.944 20 0 EHADMM CCC(CC)(CC)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001188141449 1134432771 /nfs/dbraw/zinc/43/27/71/1134432771.db2.gz RUDSMHOLOGCABT-UHFFFAOYSA-N -1 1 339.288 3.883 20 0 EHADMM CC(C)(C)[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188167838 1134435349 /nfs/dbraw/zinc/43/53/49/1134435349.db2.gz QSPIDIOUTUQRDT-UHFFFAOYSA-N -1 1 344.864 3.856 20 0 EHADMM O=C(Nc1ccc(-c2cccnc2)cc1)c1ncc(C(F)(F)F)[n-]1 ZINC001188288279 1134444858 /nfs/dbraw/zinc/44/48/58/1134444858.db2.gz QLRRBCRUWZOIBN-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM O=C(Nc1ccc(-c2cccnc2)cc1)c1nc(C(F)(F)F)c[n-]1 ZINC001188288279 1134444861 /nfs/dbraw/zinc/44/48/61/1134444861.db2.gz QLRRBCRUWZOIBN-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM COc1cccc2c(NC(=O)c3ncc(C(F)(F)F)[n-]3)cccc12 ZINC001188288693 1134444932 /nfs/dbraw/zinc/44/49/32/1134444932.db2.gz KPDBVMQGQZBBBV-UHFFFAOYSA-N -1 1 335.285 3.843 20 0 EHADMM COc1cccc2c(NC(=O)c3nc(C(F)(F)F)c[n-]3)cccc12 ZINC001188288693 1134444934 /nfs/dbraw/zinc/44/49/34/1134444934.db2.gz KPDBVMQGQZBBBV-UHFFFAOYSA-N -1 1 335.285 3.843 20 0 EHADMM Cn1cc2cccc(NC(=O)c3ccc([O-])c(C(F)(F)F)c3)c2n1 ZINC001188585289 1134484717 /nfs/dbraw/zinc/48/47/17/1134484717.db2.gz DVYKNILLTXJPPJ-UHFFFAOYSA-N -1 1 335.285 3.550 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2)c1 ZINC001189229219 1134554276 /nfs/dbraw/zinc/55/42/76/1134554276.db2.gz BDSHYMVUGMPADC-UHFFFAOYSA-N -1 1 341.388 3.950 20 0 EHADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189347000 1134566759 /nfs/dbraw/zinc/56/67/59/1134566759.db2.gz FLJKWESHTSVIKG-UHFFFAOYSA-N -1 1 345.395 3.580 20 0 EHADMM CSc1ccccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189687276 1134611569 /nfs/dbraw/zinc/61/15/69/1134611569.db2.gz QFOWWTHWUQEDPY-UHFFFAOYSA-N -1 1 329.393 3.629 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]CC[C@H]2C[C@@H](C)CC(C)(C)C2)sn1 ZINC001189822756 1134629813 /nfs/dbraw/zinc/62/98/13/1134629813.db2.gz SLECWPDEPDFJAL-YPMHNXCESA-N -1 1 330.519 3.582 20 0 EHADMM Cc1cc(=O)[nH]c([C@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)n1 ZINC001190201776 1134670891 /nfs/dbraw/zinc/67/08/91/1134670891.db2.gz ZEZFUTWHNDTYFM-NSHDSACASA-N -1 1 340.408 3.507 20 0 EHADMM Cc1nnc([C@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)s1 ZINC001190211584 1134670917 /nfs/dbraw/zinc/67/09/17/1134670917.db2.gz UVDLWIGPSUDUJY-VIFPVBQESA-N -1 1 330.438 3.862 20 0 EHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C ZINC001190507332 1134707532 /nfs/dbraw/zinc/70/75/32/1134707532.db2.gz SDRUDVFSRUGYGM-UHFFFAOYSA-N -1 1 329.421 3.876 20 0 EHADMM CC(C)CN(CC(=O)[N-]OCc1ccccc1)Cc1ccccc1F ZINC001190615455 1134720946 /nfs/dbraw/zinc/72/09/46/1134720946.db2.gz CQJZJZMIBGKQHE-UHFFFAOYSA-N -1 1 344.430 3.532 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3cnoc3c2)cc1 ZINC001191248754 1134836736 /nfs/dbraw/zinc/83/67/36/1134836736.db2.gz HEYVBNFICUVFMV-UHFFFAOYSA-N -1 1 330.409 3.971 20 0 EHADMM C[C@H](NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1)c1ccncc1 ZINC001191488165 1134872796 /nfs/dbraw/zinc/87/27/96/1134872796.db2.gz KOAPBHSVFDOKSI-AWEZNQCLSA-N -1 1 346.386 3.509 20 0 EHADMM COc1c([N-]S(=O)(=O)CC2CCCC2)cccc1C(F)(F)F ZINC001191526623 1134880634 /nfs/dbraw/zinc/88/06/34/1134880634.db2.gz IJPMGLJNQKKWCY-UHFFFAOYSA-N -1 1 337.363 3.646 20 0 EHADMM COc1ccc2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)ccc2c1 ZINC001191932529 1134943449 /nfs/dbraw/zinc/94/34/49/1134943449.db2.gz RDSTUWVZHLEMHT-UHFFFAOYSA-N -1 1 349.358 3.927 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)nc3ccnn32)c([O-])c1 ZINC001192313766 1134997376 /nfs/dbraw/zinc/99/73/76/1134997376.db2.gz IGDROZDGJZOTCH-UHFFFAOYSA-N -1 1 344.802 3.638 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cnc3ccc(Cl)nn32)c([O-])c1 ZINC001192314216 1134998177 /nfs/dbraw/zinc/99/81/77/1134998177.db2.gz KNDSETTVDUGZFS-UHFFFAOYSA-N -1 1 344.802 3.638 20 0 EHADMM O=C(NCc1nc(-c2ccccc2)cs1)c1c(F)ccc([O-])c1F ZINC001192552810 1135028667 /nfs/dbraw/zinc/02/86/67/1135028667.db2.gz SSQAOTWVJFKIOC-UHFFFAOYSA-N -1 1 346.358 3.724 20 0 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330.815 3.827 20 0 EHADMM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1ccc(F)c([O-])c1 ZINC001144142162 1137243425 /nfs/dbraw/zinc/24/34/25/1137243425.db2.gz HCYTZFRCNQXVMV-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM CCCC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000231349567 1137260285 /nfs/dbraw/zinc/26/02/85/1137260285.db2.gz ICFOBHSTPGUCFO-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM Cc1nc(SCOC(=O)OC2CCCCC2)[n-]c(=O)c1C1CC1 ZINC000865373505 1137278221 /nfs/dbraw/zinc/27/82/21/1137278221.db2.gz XJMMVDQZDUHMFD-UHFFFAOYSA-N -1 1 338.429 3.904 20 0 EHADMM Cc1ccccc1[C@H]1CN(Cc2ccccc2CC(=O)[O-])[C@@H](C)CO1 ZINC000846249892 1137344031 /nfs/dbraw/zinc/34/40/31/1137344031.db2.gz TVHHXMQKMJLQTF-OXJNMPFZSA-N -1 1 339.435 3.584 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000846281037 1137345123 /nfs/dbraw/zinc/34/51/23/1137345123.db2.gz JNTQGVKWYVBOJS-AWEZNQCLSA-N -1 1 330.453 3.887 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000846622121 1137359528 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C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396728 1137650842 /nfs/dbraw/zinc/65/08/42/1137650842.db2.gz NXHMFOJSLFNMFS-PSASIEDQSA-N -1 1 336.741 3.528 20 0 EHADMM Cc1cc2scc(CC(=O)Nc3n[n-]c(C(F)(F)F)n3)c2s1 ZINC000878094448 1137702062 /nfs/dbraw/zinc/70/20/62/1137702062.db2.gz UWYVYDNAJWKBCS-UHFFFAOYSA-N -1 1 346.359 3.589 20 0 EHADMM Cc1ccc(Cl)c2ccc(NC([O-])=NO[C@H]3CCCCO3)nc12 ZINC000879120055 1137738642 /nfs/dbraw/zinc/73/86/42/1137738642.db2.gz WVEJZPOVSRMYSS-AWEZNQCLSA-N -1 1 335.791 3.776 20 0 EHADMM Cc1ccc(Cl)c2ccc(NC(=O)[N-]O[C@H]3CCCCO3)nc12 ZINC000879120055 1137738643 /nfs/dbraw/zinc/73/86/43/1137738643.db2.gz WVEJZPOVSRMYSS-AWEZNQCLSA-N -1 1 335.791 3.776 20 0 EHADMM CCCCCC[C@@H](C)CC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000880651989 1137783429 /nfs/dbraw/zinc/78/34/29/1137783429.db2.gz CRYNXBCQQPORFV-GFCCVEGCSA-N -1 1 325.478 3.517 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@H](C2CCOCC2)C1 ZINC000882908123 1137837483 /nfs/dbraw/zinc/83/74/83/1137837483.db2.gz DRBRUQWRKRVTIL-AWEZNQCLSA-N -1 1 337.847 3.715 20 0 EHADMM Cc1ccc2c([N-]S(=O)(=O)c3ccc(N)c(Cl)c3)cccc2n1 ZINC001212796965 1137875738 /nfs/dbraw/zinc/87/57/38/1137875738.db2.gz PHOFEURCUNCLHS-UHFFFAOYSA-N -1 1 347.827 3.580 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(COC(C)C)cc2)c1 ZINC000109093259 1137891053 /nfs/dbraw/zinc/89/10/53/1137891053.db2.gz STKVUIJTHXECHU-UHFFFAOYSA-N -1 1 342.395 3.528 20 0 EHADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1coc(C2CCOCC2)n1 ZINC000332613064 1137949002 /nfs/dbraw/zinc/94/90/02/1137949002.db2.gz ATCXHVRUDAGUCN-UHFFFAOYSA-N -1 1 342.729 3.753 20 0 EHADMM CC(C)n1ncc2c1C[C@H](NC(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000333017274 1137952924 /nfs/dbraw/zinc/95/29/24/1137952924.db2.gz CLKBCGQWLISJMV-QGZVFWFLSA-N -1 1 349.434 3.610 20 0 EHADMM COc1ccc2c(c1)CC[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C2 ZINC000885680768 1138018259 /nfs/dbraw/zinc/01/82/59/1138018259.db2.gz YQYODFBAWOYFGE-LBPRGKRZSA-N -1 1 349.789 3.937 20 0 EHADMM CC(C)OCc1ccc(C(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC000886262770 1138062616 /nfs/dbraw/zinc/06/26/16/1138062616.db2.gz ACSIVTXVSLGBNA-UHFFFAOYSA-N -1 1 349.377 3.568 20 0 EHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C3OCCO3)c2)cc1 ZINC000886427842 1138075357 /nfs/dbraw/zinc/07/53/57/1138075357.db2.gz ZJDCDBRUPIZPKI-UHFFFAOYSA-N -1 1 347.436 3.656 20 0 EHADMM O=S(=O)([N-]c1ccccc1Cl)c1c(Cl)nc2sccn21 ZINC000037555347 1138264142 /nfs/dbraw/zinc/26/41/42/1138264142.db2.gz VXMGWDLJESUEKV-UHFFFAOYSA-N -1 1 348.236 3.503 20 0 EHADMM O=C(N[C@H]1CCCC12CCOCC2)c1ccc2ccccc2c1[O-] ZINC000333252015 1138271391 /nfs/dbraw/zinc/27/13/91/1138271391.db2.gz KMDREFHMIONKNF-KRWDZBQOSA-N -1 1 325.408 3.625 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccnc1N1CCCCC1 ZINC000129542249 1138414027 /nfs/dbraw/zinc/41/40/27/1138414027.db2.gz LRFUXPDFINEMOM-UHFFFAOYSA-N -1 1 331.803 3.683 20 0 EHADMM O=c1nc(CN2CCCC[C@@H]2Cc2ccccc2)[n-]c2ccsc21 ZINC000264216985 1138445569 /nfs/dbraw/zinc/44/55/69/1138445569.db2.gz NZLFUNDQTYYEFB-OAHLLOKOSA-N -1 1 339.464 3.994 20 0 EHADMM COc1cc(C(=O)N2CCc3cc(F)cc(C)c3C2)cc(Cl)c1[O-] ZINC000337517451 1138592460 /nfs/dbraw/zinc/59/24/60/1138592460.db2.gz REIDVCAGLWNYQS-UHFFFAOYSA-N -1 1 349.789 3.700 20 0 EHADMM O=C([N-]c1cc(F)c(F)cc1F)c1ncsc1C(F)(F)F ZINC000338522617 1138954791 /nfs/dbraw/zinc/95/47/91/1138954791.db2.gz GHNOOSJEQLUYAZ-UHFFFAOYSA-N -1 1 326.221 3.832 20 0 EHADMM CC(C)(C)c1coc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC000889555980 1139232615 /nfs/dbraw/zinc/23/26/15/1139232615.db2.gz HDJIGYUHVRQHET-UHFFFAOYSA-N -1 1 342.317 3.627 20 0 EHADMM CCCCCC[C@H](CC)C(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889791286 1139268222 /nfs/dbraw/zinc/26/82/22/1139268222.db2.gz FRAHUVMWGHAREN-GJZGRUSLSA-N -1 1 349.475 3.851 20 0 EHADMM Cc1nc(NC(=O)[C@@H](C)C2CC2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000175256519 1139476584 /nfs/dbraw/zinc/47/65/84/1139476584.db2.gz OHXGKVQHKMKVBD-ZETCQYMHSA-N -1 1 349.485 3.692 20 0 EHADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])cc2F)cc1OC ZINC000181090604 1139885386 /nfs/dbraw/zinc/88/53/86/1139885386.db2.gz VINUPXPYGWSYMT-MRXNPFEDSA-N -1 1 345.370 3.526 20 0 EHADMM CCOc1cc(C(=O)NCCCNc2ccccc2)cc(Cl)c1[O-] ZINC000186796133 1140222295 /nfs/dbraw/zinc/22/22/95/1140222295.db2.gz DWUWHAHTUJZUPI-UHFFFAOYSA-N -1 1 348.830 3.676 20 0 EHADMM CCOc1cc(C(=O)N[C@H](C)c2ncc(C)s2)cc(Cl)c1[O-] ZINC000186852406 1140224882 /nfs/dbraw/zinc/22/48/82/1140224882.db2.gz LDTQRWWQLMGQPT-SECBINFHSA-N -1 1 340.832 3.700 20 0 EHADMM CCOc1ccccc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000192971073 1140557249 /nfs/dbraw/zinc/55/72/49/1140557249.db2.gz HRCABKNYGKOLHN-UHFFFAOYSA-N -1 1 346.452 3.755 20 0 EHADMM CCOc1ccccc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192971073 1140557255 /nfs/dbraw/zinc/55/72/55/1140557255.db2.gz HRCABKNYGKOLHN-UHFFFAOYSA-N -1 1 346.452 3.755 20 0 EHADMM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000193496811 1140577901 /nfs/dbraw/zinc/57/79/01/1140577901.db2.gz BULXCGKHYYLCSL-UHFFFAOYSA-N -1 1 340.832 3.631 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(OC2CCOCC2)cc1 ZINC000266500953 1140695511 /nfs/dbraw/zinc/69/55/11/1140695511.db2.gz FBLAQUIXTAOHQV-UHFFFAOYSA-N -1 1 347.798 3.856 20 0 EHADMM CCOc1cc(C(=O)Nc2sc(C)nc2C)cc(Cl)c1[O-] ZINC000273867484 1141436019 /nfs/dbraw/zinc/43/60/19/1141436019.db2.gz PMBBJPHMJNVCCK-UHFFFAOYSA-N -1 1 326.805 3.770 20 0 EHADMM CCOc1cc(C(=O)N(C)C2Cc3ccccc3C2)cc(Cl)c1[O-] ZINC000273968035 1141454833 /nfs/dbraw/zinc/45/48/33/1141454833.db2.gz QRXYBLUSSXGOTE-UHFFFAOYSA-N -1 1 345.826 3.684 20 0 EHADMM O=C(NCc1cccc(Br)c1)c1ccc(Cl)cc1[O-] ZINC000104184304 219356568 /nfs/dbraw/zinc/35/65/68/219356568.db2.gz JGSQHROLIQFBMP-UHFFFAOYSA-N -1 1 340.604 3.738 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c(F)c1 ZINC000023371345 212372272 /nfs/dbraw/zinc/37/22/72/212372272.db2.gz XKZVKSIOEFWMOF-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000021323203 212220829 /nfs/dbraw/zinc/22/08/29/212220829.db2.gz RHPUGMILQMIOSA-UHFFFAOYSA-N -1 1 347.436 3.520 20 0 EHADMM CCOc1c(Cl)cc(C(=O)Nc2c([O-])cccc2F)cc1OC ZINC000078807091 217126424 /nfs/dbraw/zinc/12/64/24/217126424.db2.gz HGPQCHKRTRMBFF-UHFFFAOYSA-N -1 1 339.750 3.844 20 0 EHADMM Cc1cccc([C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c1C ZINC000737388861 599066722 /nfs/dbraw/zinc/06/67/22/599066722.db2.gz MOHYWYOUIIVLHX-SECBINFHSA-N -1 1 334.836 3.767 20 0 EHADMM Cc1cccc([C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c1C ZINC000737388861 599066724 /nfs/dbraw/zinc/06/67/24/599066724.db2.gz MOHYWYOUIIVLHX-SECBINFHSA-N -1 1 334.836 3.767 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738228358 599770839 /nfs/dbraw/zinc/77/08/39/599770839.db2.gz SJMXINDYPUYVQM-UHFFFAOYSA-N -1 1 349.390 3.655 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000737085243 599808274 /nfs/dbraw/zinc/80/82/74/599808274.db2.gz IQBMCTWASRDZFL-KRWDZBQOSA-N -1 1 341.411 3.798 20 0 EHADMM C[C@H](CN(Cn1c2cc(Cl)ccc2oc1=S)C1CC1)C(=O)[O-] ZINC000736581549 599935314 /nfs/dbraw/zinc/93/53/14/599935314.db2.gz IZVQZNDJRFKHAU-SECBINFHSA-N -1 1 340.832 3.760 20 0 EHADMM COc1cccc(-c2nc(CN(C[C@@H](C)C(=O)[O-])C3CC3)cs2)c1 ZINC000570854874 599949792 /nfs/dbraw/zinc/94/97/92/599949792.db2.gz QYHUQSVYNJYJPR-GFCCVEGCSA-N -1 1 346.452 3.504 20 0 EHADMM CC(C)c1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c(C(=O)[O-])c1 ZINC000736514888 600074626 /nfs/dbraw/zinc/07/46/26/600074626.db2.gz DRFSUFMJBDPLPN-UHFFFAOYSA-N -1 1 339.351 3.744 20 0 EHADMM O=C([O-])c1ccc2c(c1)CN(C[C@@H](O)c1ccc3ccccc3c1)C2 ZINC000740202566 600081450 /nfs/dbraw/zinc/08/14/50/600081450.db2.gz JJDIAHLELHSBOO-HXUWFJFHSA-N -1 1 333.387 3.587 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736820666 600173996 /nfs/dbraw/zinc/17/39/96/600173996.db2.gz FJRZUBDIPJEQGK-CLCXKQKWSA-N -1 1 325.408 3.735 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1coc(-c3ccc(Cl)cc3)n1)CC2 ZINC000405357212 600300847 /nfs/dbraw/zinc/30/08/47/600300847.db2.gz KRFGGDNHAIHUOQ-OAHLLOKOSA-N -1 1 346.814 3.682 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1Br)c1ccc(F)cc1 ZINC000739505526 600431518 /nfs/dbraw/zinc/43/15/18/600431518.db2.gz RADSUTIJBGLZLL-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263565661 601338311 /nfs/dbraw/zinc/33/83/11/601338311.db2.gz FRRVKRRZZTUYEP-SFHVURJKSA-N -1 1 335.407 3.609 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000830398452 601405213 /nfs/dbraw/zinc/40/52/13/601405213.db2.gz NDQDVRVTNFFEHY-UHFFFAOYSA-N -1 1 329.381 3.618 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000571172330 601417809 /nfs/dbraw/zinc/41/78/09/601417809.db2.gz VZLDADTUCZHTQO-ZDUSSCGKSA-N -1 1 334.441 3.815 20 0 EHADMM O=C([O-])N1CCC(N(Cc2coc(-c3cccs3)n2)C2CC2)CC1 ZINC000740499191 601932126 /nfs/dbraw/zinc/93/21/26/601932126.db2.gz DWENFEWMQXYDNP-UHFFFAOYSA-N -1 1 347.440 3.510 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000827134127 601953481 /nfs/dbraw/zinc/95/34/81/601953481.db2.gz FHWCYQRMPCVDII-FQEVSTJZSA-N -1 1 346.471 3.669 20 0 EHADMM O=C([O-])N[C@@H](CCC(=O)Nc1cccc(Cl)c1O)c1ccccc1 ZINC000740540378 603309728 /nfs/dbraw/zinc/30/97/28/603309728.db2.gz PGUGYLLUMWCBOA-ZDUSSCGKSA-N -1 1 348.786 3.773 20 0 EHADMM CC(C)Oc1ccccc1CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000824425105 603853539 /nfs/dbraw/zinc/85/35/39/603853539.db2.gz KUYKVWSGVNYXHX-UHFFFAOYSA-N -1 1 340.423 3.804 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)co2)cc1 ZINC000830155012 604199571 /nfs/dbraw/zinc/19/95/71/604199571.db2.gz LUZOFQGYLYVQMV-GDBMZVCRSA-N -1 1 343.427 3.518 20 0 EHADMM C/C(=C/CN1CCc2sc(-c3csc(C)n3)cc2C1)C(=O)[O-] ZINC000833381670 604925768 /nfs/dbraw/zinc/92/57/68/604925768.db2.gz CVQIVHVZYBFGAC-KMKOMSMNSA-N -1 1 334.466 3.569 20 0 EHADMM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000825503933 604942778 /nfs/dbraw/zinc/94/27/78/604942778.db2.gz ZMIYKQBDWLTTDK-HNNXBMFYSA-N -1 1 349.434 3.896 20 0 EHADMM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccnc1Cl ZINC000825398671 605117773 /nfs/dbraw/zinc/11/77/73/605117773.db2.gz ZMWIVNQCWIHMBX-NWDGAFQWSA-N -1 1 333.819 3.914 20 0 EHADMM CC(C)COC1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000579842885 605829110 /nfs/dbraw/zinc/82/91/10/605829110.db2.gz RSSNXMIMXXEKRK-UHFFFAOYSA-N -1 1 325.836 3.675 20 0 EHADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc2ccccc21 ZINC000821160226 606508278 /nfs/dbraw/zinc/50/82/78/606508278.db2.gz HQCUXSNTCWGWIQ-UHFFFAOYSA-N -1 1 349.419 3.748 20 0 EHADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc2ccccc21 ZINC000821160226 606508280 /nfs/dbraw/zinc/50/82/80/606508280.db2.gz HQCUXSNTCWGWIQ-UHFFFAOYSA-N -1 1 349.419 3.748 20 0 EHADMM FC(F)(F)c1ccc(Cl)c(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826368335 607895284 /nfs/dbraw/zinc/89/52/84/607895284.db2.gz LWJTUOWGYMCJQX-UHFFFAOYSA-N -1 1 341.680 3.726 20 0 EHADMM FC(F)(F)c1ccc(Cl)c(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826368335 607895285 /nfs/dbraw/zinc/89/52/85/607895285.db2.gz LWJTUOWGYMCJQX-UHFFFAOYSA-N -1 1 341.680 3.726 20 0 EHADMM Clc1nsc(Sc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826354008 608169112 /nfs/dbraw/zinc/16/91/12/608169112.db2.gz MKLMFQCGUXKEAQ-UHFFFAOYSA-N -1 1 330.225 3.781 20 0 EHADMM Clc1nsc(Sc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826354008 608169114 /nfs/dbraw/zinc/16/91/14/608169114.db2.gz MKLMFQCGUXKEAQ-UHFFFAOYSA-N -1 1 330.225 3.781 20 0 EHADMM CC(C)(C)c1cc(NC(=O)CCC(F)(F)F)c(-c2nnn[n-]2)s1 ZINC000824131356 608348501 /nfs/dbraw/zinc/34/85/01/608348501.db2.gz ZYSMVJWLDQVKSY-UHFFFAOYSA-N -1 1 347.366 3.507 20 0 EHADMM CC(C)(C)c1cc(NC(=O)CCC(F)(F)F)c(-c2nn[n-]n2)s1 ZINC000824131356 608348502 /nfs/dbraw/zinc/34/85/02/608348502.db2.gz ZYSMVJWLDQVKSY-UHFFFAOYSA-N -1 1 347.366 3.507 20 0 EHADMM C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)C1CCCC1 ZINC000824045308 608348980 /nfs/dbraw/zinc/34/89/80/608348980.db2.gz KZEXLOJJYQATDC-SNVBAGLBSA-N -1 1 347.488 3.991 20 0 EHADMM C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)C1CCCC1 ZINC000824045308 608348981 /nfs/dbraw/zinc/34/89/81/608348981.db2.gz KZEXLOJJYQATDC-SNVBAGLBSA-N -1 1 347.488 3.991 20 0 EHADMM CC[C@@H](C)c1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820882295 945580988 /nfs/dbraw/zinc/58/09/88/945580988.db2.gz OQSVNAZOLZENPD-SNVBAGLBSA-N -1 1 328.397 3.661 20 0 EHADMM CC[C@@H](C)c1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820882295 945580994 /nfs/dbraw/zinc/58/09/94/945580994.db2.gz OQSVNAZOLZENPD-SNVBAGLBSA-N -1 1 328.397 3.661 20 0 EHADMM Cc1ccc(C(C)C)c(OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822229413 946007340 /nfs/dbraw/zinc/00/73/40/946007340.db2.gz UITLFXVCYRUDIU-UHFFFAOYSA-N -1 1 328.397 3.579 20 0 EHADMM Cc1ccc(C(C)C)c(OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822229413 946007347 /nfs/dbraw/zinc/00/73/47/946007347.db2.gz UITLFXVCYRUDIU-UHFFFAOYSA-N -1 1 328.397 3.579 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000263165219 950304696 /nfs/dbraw/zinc/30/46/96/950304696.db2.gz RDAZNTXPRJLZTR-CQSZACIVSA-N -1 1 347.846 3.603 20 0 EHADMM C[C@@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H]1C(=O)[O-] ZINC000424274240 953449342 /nfs/dbraw/zinc/44/93/42/953449342.db2.gz YMNYNIDXUDTWSA-BZNIZROVSA-N -1 1 334.803 3.680 20 0 EHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)cc(Br)c2)C1 ZINC001589281579 953519939 /nfs/dbraw/zinc/51/99/39/953519939.db2.gz VXIYQERAYOSKFR-GXSJLCMTSA-N -1 1 346.652 3.645 20 0 EHADMM COc1ccc2c(c1)C1(CC1)CN(Cc1ccc(C(=O)[O-])s1)C2 ZINC000566567161 953625227 /nfs/dbraw/zinc/62/52/27/953625227.db2.gz KZWLBKVDNJYKMF-UHFFFAOYSA-N -1 1 329.421 3.502 20 0 EHADMM C[C@@H](CN(C)Cc1coc(-c2ccccc2C(F)(F)F)n1)C(=O)[O-] ZINC000634690457 953868627 /nfs/dbraw/zinc/86/86/27/953868627.db2.gz LTJGYVCXOFUWES-JTQLQIEISA-N -1 1 342.317 3.513 20 0 EHADMM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000659801456 954376727 /nfs/dbraw/zinc/37/67/27/954376727.db2.gz ZZWNTSAITDKNGD-RNCFNFMXSA-N -1 1 346.652 3.645 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc(C)c1F ZINC000460823359 1032064536 /nfs/dbraw/zinc/06/45/36/1032064536.db2.gz PZUCLJAHIDMYIA-UHFFFAOYSA-N -1 1 336.413 3.853 20 0 EHADMM Cc1cccc([C@H](NCc2ccccc2Br)C(=O)[O-])c1 ZINC001594398412 958802006 /nfs/dbraw/zinc/80/20/06/958802006.db2.gz WUCZQEZYKVRHPG-HNNXBMFYSA-N -1 1 334.213 3.673 20 0 EHADMM CC(C)C[C@H](CNC(=O)c1c(O)cc(Cl)cc1Cl)CC(=O)[O-] ZINC001588894575 962226310 /nfs/dbraw/zinc/22/63/10/962226310.db2.gz NRLVFJWAGHBDKW-VIFPVBQESA-N -1 1 348.226 3.566 20 0 EHADMM O=C([O-])[C@H]1CN(C[C@H]2[C@H](c3ccccc3)C2(F)F)Cc2ccccc21 ZINC001574660879 962488762 /nfs/dbraw/zinc/48/87/62/962488762.db2.gz DHKZIJWRTNPVGB-BZSNNMDCSA-N -1 1 343.373 3.719 20 0 EHADMM O=C([O-])c1ccc(CNCc2cccc(OC(F)F)c2)nc1C1CC1 ZINC000417706452 973966653 /nfs/dbraw/zinc/96/66/53/973966653.db2.gz OWOAONOCLFSXSU-UHFFFAOYSA-N -1 1 348.349 3.548 20 0 EHADMM O=C([O-])c1cccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC001606509994 974003032 /nfs/dbraw/zinc/00/30/32/974003032.db2.gz ZAZVTEQYFLTLQB-LJQANCHMSA-N -1 1 343.398 3.705 20 0 EHADMM O=C([O-])c1cccc(CNCc2cccc(Br)c2F)c1 ZINC001606513526 974007065 /nfs/dbraw/zinc/00/70/65/974007065.db2.gz NAKLYLHBZXBZSU-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM Cc1nc(C)n(Cc2cccc(NCc3cccc([O-])c3Cl)c2)n1 ZINC000339293277 1014171238 /nfs/dbraw/zinc/17/12/38/1014171238.db2.gz JQRKTERYGDWIGE-UHFFFAOYSA-N -1 1 342.830 3.914 20 0 EHADMM NC(=O)CCSc1ccccc1NCc1cccc([O-])c1Cl ZINC000339317141 1014209012 /nfs/dbraw/zinc/20/90/12/1014209012.db2.gz UMXLFRHMQBHTBZ-UHFFFAOYSA-N -1 1 336.844 3.625 20 0 EHADMM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccccc1C(=O)[O-] ZINC000575995350 974805188 /nfs/dbraw/zinc/80/51/88/974805188.db2.gz LQLYCCBBSOSKOJ-GOSISDBHSA-N -1 1 335.407 3.609 20 0 EHADMM COc1cc(Cl)c(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000625970422 975066928 /nfs/dbraw/zinc/06/69/28/975066928.db2.gz QJZQOEKWVCCCPM-GXSJLCMTSA-N -1 1 332.227 3.545 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2cccnc2C(F)(F)F)[C@@H]2CCCC[C@@H]12 ZINC000629363151 975084253 /nfs/dbraw/zinc/08/42/53/975084253.db2.gz GYDAQVDGMUGZSS-BFHYXJOUSA-N -1 1 342.361 3.566 20 0 EHADMM O=C([O-])c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000647445647 975359788 /nfs/dbraw/zinc/35/97/88/975359788.db2.gz MHYKATPSDAKJLL-UHFFFAOYSA-N -1 1 345.830 3.510 20 0 EHADMM Cc1cc(C)cc([C@@H](NCc2cccc(OC3CC3)c2F)C(=O)[O-])c1 ZINC000656574774 975663422 /nfs/dbraw/zinc/66/34/22/975663422.db2.gz YQRVDTDJVXJXCA-LJQANCHMSA-N -1 1 343.398 3.899 20 0 EHADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(O)c(Cl)c1 ZINC001591771807 975898911 /nfs/dbraw/zinc/89/89/11/975898911.db2.gz IQLYTWNHLKAOFD-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001591795879 976003577 /nfs/dbraw/zinc/00/35/77/976003577.db2.gz RKUNITWSTRGUIR-DZGCQCFKSA-N -1 1 343.427 3.554 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)[nH]n2)o1 ZINC000676002346 976027092 /nfs/dbraw/zinc/02/70/92/976027092.db2.gz SLUPQGLLVHKORX-UHFFFAOYSA-N -1 1 345.742 3.582 20 0 EHADMM CC(C)c1ccccc1NC(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC001591995392 976640374 /nfs/dbraw/zinc/64/03/74/976640374.db2.gz VJMCRJXVNXNMBF-UHFFFAOYSA-N -1 1 332.444 3.516 20 0 EHADMM [O-]c1cccc(CN[C@H]2CCOc3c(F)ccc(F)c32)c1Cl ZINC000339407272 1014369313 /nfs/dbraw/zinc/36/93/13/1014369313.db2.gz KYCVSQKHSZHYMP-LBPRGKRZSA-N -1 1 325.742 3.937 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000830362617 979016707 /nfs/dbraw/zinc/01/67/07/979016707.db2.gz DTPIATKOHAQXJB-UHFFFAOYSA-N -1 1 327.380 3.535 20 0 EHADMM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1c(F)ccc([O-])c1F ZINC000339514270 1014632114 /nfs/dbraw/zinc/63/21/14/1014632114.db2.gz MTRZMVVOBOMXJS-UHFFFAOYSA-N -1 1 348.330 3.752 20 0 EHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(OC)c1OC ZINC001595276595 980300818 /nfs/dbraw/zinc/30/08/18/980300818.db2.gz JCLRMPUPLIDZPE-NVXWUHKLSA-N -1 1 347.386 3.710 20 0 EHADMM O=C([O-])C[C@@H]1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CCO1 ZINC000901500746 980319426 /nfs/dbraw/zinc/31/94/26/980319426.db2.gz DZBBTDGYKDDQAK-GOSISDBHSA-N -1 1 345.826 3.683 20 0 EHADMM Cc1ccc(-c2ccc(CN[C@@H](C[C@H]3CCCOC3)C(=O)[O-])o2)cc1 ZINC000901931683 980636635 /nfs/dbraw/zinc/63/66/35/980636635.db2.gz XJIXVWIDPTTZDA-QAPCUYQASA-N -1 1 343.423 3.615 20 0 EHADMM CC(C)[C@@H](NCc1cc(C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC000902213468 980785461 /nfs/dbraw/zinc/78/54/61/980785461.db2.gz BCMCRHLNVYUWAS-CQSZACIVSA-N -1 1 342.317 3.879 20 0 EHADMM CCc1oc(CNCCOCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902239289 980795992 /nfs/dbraw/zinc/79/59/92/980795992.db2.gz QSIIPFRYUBVFRF-UHFFFAOYSA-N -1 1 337.803 3.500 20 0 EHADMM C[C@@H](Oc1ccc(CNCc2ccc(C(C)(C)C)o2)cc1)C(=O)[O-] ZINC000902329752 980835746 /nfs/dbraw/zinc/83/57/46/980835746.db2.gz MGIZBQBVCFGFDQ-CYBMUJFWSA-N -1 1 331.412 3.719 20 0 EHADMM CC(C)(NCc1ccc(C(=O)[O-])o1)c1ccc(OC(F)(F)F)cc1 ZINC000902436061 980885139 /nfs/dbraw/zinc/88/51/39/980885139.db2.gz HAGZMXGRWUKMCP-UHFFFAOYSA-N -1 1 343.301 3.901 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000903598323 980981646 /nfs/dbraw/zinc/98/16/46/980981646.db2.gz UGZGTSBUHPXQFB-CYBMUJFWSA-N -1 1 347.361 3.661 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903631057 981007081 /nfs/dbraw/zinc/00/70/81/981007081.db2.gz KNSFEPDBNVJTEX-GRYCIOLGSA-N -1 1 337.370 3.535 20 0 EHADMM COc1ccc([C@H](NCc2cc(C(C)C)ccc2OC)C(=O)[O-])cc1 ZINC000905379761 981101365 /nfs/dbraw/zinc/10/13/65/981101365.db2.gz FZHFOVLXRKLYIW-IBGZPJMESA-N -1 1 343.423 3.743 20 0 EHADMM CCCC(=O)Nc1ccc(CN[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001595529336 981362761 /nfs/dbraw/zinc/36/27/61/981362761.db2.gz MMSRFGXLMCKORS-GFCCVEGCSA-N -1 1 330.384 3.567 20 0 EHADMM CCC[C@H]1CCCN([C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001595622586 981711869 /nfs/dbraw/zinc/71/18/69/981711869.db2.gz UXLOPUYCAIMBGG-STQMWFEESA-N -1 1 338.473 3.594 20 0 EHADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)o1 ZINC000108985562 1014818184 /nfs/dbraw/zinc/81/81/84/1014818184.db2.gz NSOIRAOSIWUXRS-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM CCCCCC[C@](O)(CN[C@@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001595702607 982263875 /nfs/dbraw/zinc/26/38/75/982263875.db2.gz JPXBPQXWBHYXPY-SJCJKPOMSA-N -1 1 345.842 3.916 20 0 EHADMM CCCOc1ccc(CNCc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC001595960501 983152096 /nfs/dbraw/zinc/15/20/96/983152096.db2.gz GXNNPBWZLHHJDE-UHFFFAOYSA-N -1 1 331.387 3.911 20 0 EHADMM COc1ccc(CN(C(=O)c2ccc([O-])c(F)c2)[C@@H](C)C2CC2)cc1 ZINC000655089721 1014972971 /nfs/dbraw/zinc/97/29/71/1014972971.db2.gz PZRPNISOKUQLDM-ZDUSSCGKSA-N -1 1 343.398 3.981 20 0 EHADMM Cc1[nH]c(C(=O)CN2CC[C@@H](C)[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599944786 985507696 /nfs/dbraw/zinc/50/76/96/985507696.db2.gz PDNRMQYXDONIMB-CWTRNNRKSA-N -1 1 340.423 3.596 20 0 EHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC2(CCCCC2)O1 ZINC001594499864 985669019 /nfs/dbraw/zinc/66/90/19/985669019.db2.gz GBHCDRVGLSNIMY-CZUORRHYSA-N -1 1 337.847 3.889 20 0 EHADMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000124201452 1015214343 /nfs/dbraw/zinc/21/43/43/1015214343.db2.gz OPGQNWMNOFAHPT-HNNXBMFYSA-N -1 1 345.826 3.902 20 0 EHADMM CCc1ccnc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC001597622786 988564373 /nfs/dbraw/zinc/56/43/73/988564373.db2.gz DRFRHUYRQSDYCY-HNNXBMFYSA-N -1 1 339.222 3.866 20 0 EHADMM C[C@@H](NCc1ccsc1C(=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC001599841784 988851223 /nfs/dbraw/zinc/85/12/23/988851223.db2.gz LLQMJCMRPNYWDX-MRVPVSSYSA-N -1 1 330.331 3.711 20 0 EHADMM Cc1nc(SCC(=O)c2ccc(C(F)(F)F)cc2)[n-]c(=O)c1C ZINC000460881699 1032117512 /nfs/dbraw/zinc/11/75/12/1032117512.db2.gz OYJKZZZZZZTCQT-UHFFFAOYSA-N -1 1 342.342 3.793 20 0 EHADMM COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1cncc(C(=O)[O-])c1 ZINC001599704559 991272626 /nfs/dbraw/zinc/27/26/26/991272626.db2.gz RJFROFGJTYWSJN-KBXCAEBGSA-N -1 1 340.423 3.762 20 0 EHADMM CC(C)C1(O)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001591068166 991523577 /nfs/dbraw/zinc/52/35/77/991523577.db2.gz ULBMODZGJUGLFC-CQSZACIVSA-N -1 1 346.254 3.602 20 0 EHADMM CN(Cc1cccc(C(=O)[O-])n1)C1c2ccccc2-c2ccccc21 ZINC001598527307 992735634 /nfs/dbraw/zinc/73/56/34/992735634.db2.gz NACKVPZBABGWPZ-UHFFFAOYSA-N -1 1 330.387 3.982 20 0 EHADMM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cncc([O-])c3)cc2)cs1 ZINC000339879909 1015805756 /nfs/dbraw/zinc/80/57/56/1015805756.db2.gz NCZCRNLZTBPZHB-LLVKDONJSA-N -1 1 339.420 3.710 20 0 EHADMM COc1cccc([C@H](N[C@H](C)c2cc(Cl)ccc2F)C(=O)[O-])c1 ZINC001599659237 994630363 /nfs/dbraw/zinc/63/03/63/994630363.db2.gz JKJDSYORXQDKLH-HWPZZCPQSA-N -1 1 337.778 3.964 20 0 EHADMM C[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1cc(C(=O)[O-])co1 ZINC001593295151 994688303 /nfs/dbraw/zinc/68/83/03/994688303.db2.gz ACQZPNSCVDVVMX-LBPRGKRZSA-N -1 1 345.395 3.784 20 0 EHADMM C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC001593298287 994712275 /nfs/dbraw/zinc/71/22/75/994712275.db2.gz HJWLXTVHULELED-SECBINFHSA-N -1 1 325.195 3.937 20 0 EHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001593724633 996267064 /nfs/dbraw/zinc/26/70/64/996267064.db2.gz ICVWGRMPXRLDJF-LBPRGKRZSA-N -1 1 339.395 3.795 20 0 EHADMM 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Cc1cc(CNCc2ccccc2CC(=O)[O-])c(OC(F)F)cc1C ZINC000277075513 1023746795 /nfs/dbraw/zinc/74/67/95/1023746795.db2.gz VYHQLHVAKAUPDN-UHFFFAOYSA-N -1 1 349.377 3.822 20 0 EHADMM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1ccc([O-])c(F)c1 ZINC000684623122 1023883962 /nfs/dbraw/zinc/88/39/62/1023883962.db2.gz SNYNSZHIULNZLE-UHFFFAOYSA-N -1 1 337.753 3.942 20 0 EHADMM CC(C)(C)SCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000006357362 1024032797 /nfs/dbraw/zinc/03/27/97/1024032797.db2.gz VLOVOKJFDFFRCZ-UHFFFAOYSA-N -1 1 348.342 3.865 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000417571725 1024090994 /nfs/dbraw/zinc/09/09/94/1024090994.db2.gz XXAWRAUGQXDKLQ-JOYOIKCWSA-N -1 1 344.358 3.714 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c(C)c1 ZINC000434633083 1024210551 /nfs/dbraw/zinc/21/05/51/1024210551.db2.gz DIRUDOLMCUJGJU-UHFFFAOYSA-N -1 1 349.452 3.820 20 0 EHADMM COc1ccc2cc(C[N@H+](C)[C@@H](C)c3nc(C)cc(=O)[nH]3)ccc2c1 ZINC000520604266 1024214748 /nfs/dbraw/zinc/21/47/48/1024214748.db2.gz PYAMVPZLHNSOSM-AWEZNQCLSA-N -1 1 337.423 3.845 20 0 EHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000094125893 1024216728 /nfs/dbraw/zinc/21/67/28/1024216728.db2.gz JIJMXPQQUPIXKX-CYBMUJFWSA-N -1 1 331.387 3.633 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cccc(F)c2OC(F)F)n1 ZINC000657256189 1024364026 /nfs/dbraw/zinc/36/40/26/1024364026.db2.gz BOELFLUZGHJRJK-UHFFFAOYSA-N -1 1 330.331 3.777 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000029046209 1024399704 /nfs/dbraw/zinc/39/97/04/1024399704.db2.gz HCIKHPNFJRSVTR-UHFFFAOYSA-N -1 1 325.817 3.930 20 0 EHADMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cc(Br)ccc1F ZINC001225767003 1024509452 /nfs/dbraw/zinc/50/94/52/1024509452.db2.gz XBJMADNIMWEAQT-ZCFIWIBFSA-N -1 1 345.193 3.513 20 0 EHADMM CCn1nc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c2ccccc21 ZINC000277303404 1024525973 /nfs/dbraw/zinc/52/59/73/1024525973.db2.gz MYYOXRKHJGOHRR-IFXJQAMLSA-N -1 1 337.423 3.608 20 0 EHADMM Cc1cnc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC000427802498 1024795296 /nfs/dbraw/zinc/79/52/96/1024795296.db2.gz DMFYQRSPOIOYGT-UHFFFAOYSA-N -1 1 344.361 3.693 20 0 EHADMM Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000281335448 1024909804 /nfs/dbraw/zinc/90/98/04/1024909804.db2.gz QZOAMUCFEUBQJO-SFHVURJKSA-N -1 1 335.407 3.646 20 0 EHADMM CCOc1cc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc(Cl)c1[O-] ZINC000428046738 1024957093 /nfs/dbraw/zinc/95/70/93/1024957093.db2.gz VUMZYLQXLGNPOO-UHFFFAOYSA-N -1 1 349.749 3.712 20 0 EHADMM CCOc1cc(C(=O)NC[C@@H]2CCCC(F)(F)C2)cc(Cl)c1[O-] ZINC000505709684 1025044107 /nfs/dbraw/zinc/04/41/07/1025044107.db2.gz UIRCJTUDTUWCGA-SNVBAGLBSA-N -1 1 347.789 4.000 20 0 EHADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1cccc([O-])c1Cl ZINC000508355058 1025051281 /nfs/dbraw/zinc/05/12/81/1025051281.db2.gz OHAVSMZZDOLXFC-MRXNPFEDSA-N -1 1 347.842 3.652 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000629175673 1025176590 /nfs/dbraw/zinc/17/65/90/1025176590.db2.gz PMMOFPVAMIOLNY-VHSXEESVSA-N -1 1 348.390 3.775 20 0 EHADMM Cc1nnc([C@@H](C)OC(=O)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000783532405 1025184135 /nfs/dbraw/zinc/18/41/35/1025184135.db2.gz GXEGIJPLCAVCRG-RXMQYKEDSA-N -1 1 333.196 3.777 20 0 EHADMM CC(C)(C)CC(=O)N1CCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000896220159 1025241999 /nfs/dbraw/zinc/24/19/99/1025241999.db2.gz BJTSGFXNAFVTIA-AWEZNQCLSA-N -1 1 347.390 3.681 20 0 EHADMM Cc1cc(F)cc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)c1 ZINC000515465945 1025263121 /nfs/dbraw/zinc/26/31/21/1025263121.db2.gz UTOQOPHRLBJFRB-UHFFFAOYSA-N -1 1 348.337 3.805 20 0 EHADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000435981655 1025268491 /nfs/dbraw/zinc/26/84/91/1025268491.db2.gz VKJHFRRKTCRDEC-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000436019026 1025320486 /nfs/dbraw/zinc/32/04/86/1025320486.db2.gz VCGRITDEXBRJKB-UHFFFAOYSA-N -1 1 337.466 3.997 20 0 EHADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc2ncccc2c1 ZINC000342432172 1025423202 /nfs/dbraw/zinc/42/32/02/1025423202.db2.gz RYOMUDAFMHXULD-UHFFFAOYSA-N -1 1 335.388 3.584 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1C ZINC000442837713 1025527212 /nfs/dbraw/zinc/52/72/12/1025527212.db2.gz OJGYUTLKGMOKET-UHFFFAOYSA-N -1 1 331.393 3.859 20 0 EHADMM CSc1n[nH]c(NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)n1 ZINC000347138601 1025561763 /nfs/dbraw/zinc/56/17/63/1025561763.db2.gz MTELJKCVUAOIJT-OLZOCXBDSA-N -1 1 340.493 3.621 20 0 EHADMM COc1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc(Cl)c1[O-] ZINC000442965357 1025626325 /nfs/dbraw/zinc/62/63/25/1025626325.db2.gz IOEGHDZHBAQWJS-HWPZZCPQSA-N -1 1 331.799 3.718 20 0 EHADMM CSC[C@@H](C)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451222200 1025692685 /nfs/dbraw/zinc/69/26/85/1025692685.db2.gz ZPSVYZKJXVQZHI-MRVPVSSYSA-N -1 1 335.903 3.585 20 0 EHADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2sccc2Cl)C2CC2)n1 ZINC000451242298 1025710303 /nfs/dbraw/zinc/71/03/03/1025710303.db2.gz IIGIMHMSUHPRCV-JTQLQIEISA-N -1 1 348.902 3.596 20 0 EHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1 ZINC000436479424 1025758120 /nfs/dbraw/zinc/75/81/20/1025758120.db2.gz VRAUTSVZVFPTBZ-UHFFFAOYSA-N -1 1 325.336 3.732 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)CC2CCC(=O)CC2)c1 ZINC000530403645 1025773581 /nfs/dbraw/zinc/77/35/81/1025773581.db2.gz JJYRBLCSLVEFMQ-UHFFFAOYSA-N -1 1 340.217 3.551 20 0 EHADMM COCc1ccc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)cc1 ZINC000443193403 1025795872 /nfs/dbraw/zinc/79/58/72/1025795872.db2.gz FLRSGYNSTXBXKR-UHFFFAOYSA-N -1 1 346.770 3.918 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2ccc(Cl)s2)c1 ZINC000436502780 1025818571 /nfs/dbraw/zinc/81/85/71/1025818571.db2.gz FOZVNJYIZQLUNK-MRVPVSSYSA-N -1 1 339.800 3.636 20 0 EHADMM Cn1cc(NC(=O)c2cc3ccccc3cc2[O-])c(C(F)(F)F)n1 ZINC000436522267 1025825251 /nfs/dbraw/zinc/82/52/51/1025825251.db2.gz SOPZPRYGTLPEOL-UHFFFAOYSA-N -1 1 335.285 3.550 20 0 EHADMM COc1cccc2c1[C@H](c1nc(-c3ccc([O-])cc3F)no1)CC2 ZINC000436522427 1025825844 /nfs/dbraw/zinc/82/58/44/1025825844.db2.gz UIKXIUIINHMXNK-CYBMUJFWSA-N -1 1 326.327 3.668 20 0 EHADMM COCCN(CCCc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436536461 1025846270 /nfs/dbraw/zinc/84/62/70/1025846270.db2.gz VMIYRKBXEHXMEM-UHFFFAOYSA-N -1 1 347.842 3.767 20 0 EHADMM CCCN(C[C@H]1CCCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436553943 1025857497 /nfs/dbraw/zinc/85/74/97/1025857497.db2.gz IQTMAIDYDFDZIZ-QGZVFWFLSA-N -1 1 327.424 3.967 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000443281744 1025879621 /nfs/dbraw/zinc/87/96/21/1025879621.db2.gz FSTWPPRGNMAPRT-QMMMGPOBSA-N -1 1 341.741 3.823 20 0 EHADMM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000436562107 1025890954 /nfs/dbraw/zinc/89/09/54/1025890954.db2.gz JPNWBFVJWIBYEB-VIFPVBQESA-N -1 1 336.722 3.536 20 0 EHADMM COc1cc(C(=O)N2CCS[C@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000443321006 1025911464 /nfs/dbraw/zinc/91/14/64/1025911464.db2.gz MALCOXRBLIGFPG-OCCSQVGLSA-N -1 1 341.860 3.554 20 0 EHADMM O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cc2ccccc2cc1[O-] ZINC000436583081 1025923666 /nfs/dbraw/zinc/92/36/66/1025923666.db2.gz CKKNKTDOBANESZ-ZWKOTPCHSA-N -1 1 335.407 3.656 20 0 EHADMM CO[C@H](C)c1nc(CNC(=O)c2cc3ccccc3cc2[O-])cs1 ZINC000436583070 1025924006 /nfs/dbraw/zinc/92/40/06/1025924006.db2.gz JNDWFPAAEWZREH-LLVKDONJSA-N -1 1 342.420 3.639 20 0 EHADMM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436606148 1025938406 /nfs/dbraw/zinc/93/84/06/1025938406.db2.gz MEAGYOXLGBQTNG-SFHVURJKSA-N -1 1 333.790 3.989 20 0 EHADMM COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436611089 1025945555 /nfs/dbraw/zinc/94/55/55/1025945555.db2.gz YLVRFYWHAPWJND-UHFFFAOYSA-N -1 1 342.395 3.735 20 0 EHADMM O=C(C(=O)N1C[C@H](c2ccccc2)c2ccccc21)c1ccc([O-])cc1 ZINC000436628283 1025958335 /nfs/dbraw/zinc/95/83/35/1025958335.db2.gz YEOWZWLOCGPZII-LJQANCHMSA-N -1 1 343.382 3.754 20 0 EHADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000191171576 1025970275 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O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000191972709 1026092687 /nfs/dbraw/zinc/09/26/87/1026092687.db2.gz KIIFGQASXNDVKO-GUYCJALGSA-N -1 1 331.799 3.553 20 0 EHADMM O=C(NCc1cc(-c2ccccc2)on1)c1ccc(Cl)cc1[O-] ZINC000436733897 1026125733 /nfs/dbraw/zinc/12/57/33/1026125733.db2.gz ZIKCPMIPQDLNIO-UHFFFAOYSA-N -1 1 328.755 3.631 20 0 EHADMM CCCCc1nnc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)s1 ZINC000436734938 1026125763 /nfs/dbraw/zinc/12/57/63/1026125763.db2.gz BQYNIMCEDWAVND-UHFFFAOYSA-N -1 1 341.820 3.501 20 0 EHADMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436747588 1026135200 /nfs/dbraw/zinc/13/52/00/1026135200.db2.gz NXUNHEOTMBADPV-DIFFPNOSSA-N -1 1 349.814 3.560 20 0 EHADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])C1(C)C ZINC000436751696 1026139517 /nfs/dbraw/zinc/13/95/17/1026139517.db2.gz NAUKBQINELUICU-KBPBESRZSA-N -1 1 345.361 3.687 20 0 EHADMM O=C(Nc1cnc2ccccc2c1)c1cc(Br)ccc1[O-] ZINC000030244416 1026175960 /nfs/dbraw/zinc/17/59/60/1026175960.db2.gz ROOBUFWMPIMUQT-UHFFFAOYSA-N -1 1 343.180 3.955 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c2ccccc12 ZINC000511134774 1026378617 /nfs/dbraw/zinc/37/86/17/1026378617.db2.gz LOWWKRSRXYNEQR-UHFFFAOYSA-N -1 1 349.358 3.927 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(SC)cc2)ccc1Cl ZINC000193488270 1026542817 /nfs/dbraw/zinc/54/28/17/1026542817.db2.gz QCADNJYHGOAJIO-UHFFFAOYSA-N -1 1 343.857 3.871 20 0 EHADMM Cc1nc(-c2ccc(NC[C@H]3CCCC(C)(C)O3)nc2)[n-]c(=O)c1C ZINC000897254763 1026585408 /nfs/dbraw/zinc/58/54/08/1026585408.db2.gz VERPHCBFLQDKNP-OAHLLOKOSA-N -1 1 342.443 3.621 20 0 EHADMM O=C(CCC1CC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159339227 1026621770 /nfs/dbraw/zinc/62/17/70/1026621770.db2.gz BUMNFAQWKPDBGP-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM O=S(=O)([N-]CC1(c2cccc(F)c2)CC1)c1cc2ccccc2o1 ZINC000531247983 1026725997 /nfs/dbraw/zinc/72/59/97/1026725997.db2.gz DOFLSDOGDMWAEF-UHFFFAOYSA-N -1 1 345.395 3.582 20 0 EHADMM CCc1cccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000301380364 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O=c1[nH]c2c(cc1-c1noc(-c3ccc([O-])cc3F)n1)CCCCC2 ZINC000897294878 1027384050 /nfs/dbraw/zinc/38/40/50/1027384050.db2.gz BIEZREGODJGOGF-UHFFFAOYSA-N -1 1 341.342 3.618 20 0 EHADMM Cc1onc(-c2cccnc2)c1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350612883 1027393962 /nfs/dbraw/zinc/39/39/62/1027393962.db2.gz QRKVQOAZYVSFAY-UHFFFAOYSA-N -1 1 338.298 3.607 20 0 EHADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000179070407 1027492517 /nfs/dbraw/zinc/49/25/17/1027492517.db2.gz RQBSLOLKNFAVQR-FNORWQNLSA-N -1 1 330.697 3.519 20 0 EHADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000193118809 1027975960 /nfs/dbraw/zinc/97/59/60/1027975960.db2.gz JUXAQFPDYKNOBR-CYBMUJFWSA-N -1 1 348.402 3.995 20 0 EHADMM CSC[C@@H]1CCCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 ZINC000425273121 1028049833 /nfs/dbraw/zinc/04/98/33/1028049833.db2.gz XQVVCVGIBVBDMD-JKSUJKDBSA-N -1 1 342.512 3.651 20 0 EHADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000421254197 1028218950 /nfs/dbraw/zinc/21/89/50/1028218950.db2.gz ZDUVGJHPKYSIRV-MRXNPFEDSA-N -1 1 348.468 3.551 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H](C)c3cccs3)[nH][n-]2)c1 ZINC000444787790 1028283794 /nfs/dbraw/zinc/28/37/94/1028283794.db2.gz SGBGIUKJXQQKRX-LLVKDONJSA-N -1 1 329.400 3.750 20 0 EHADMM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1ccc(O)cc1[O-] ZINC000421714735 1028711433 /nfs/dbraw/zinc/71/14/33/1028711433.db2.gz WDEORHYABZPZLS-AWEZNQCLSA-N -1 1 341.407 3.582 20 0 EHADMM CCOc1cc(-c2noc(-c3cc(C)nc(C)n3)n2)cc(Cl)c1[O-] ZINC000445412070 1028757167 /nfs/dbraw/zinc/75/71/67/1028757167.db2.gz MGDLMAZRUJIWER-UHFFFAOYSA-N -1 1 346.774 3.568 20 0 EHADMM Cc1n[nH]c(C)c1[C@@H](C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448637 1028781314 /nfs/dbraw/zinc/78/13/14/1028781314.db2.gz SJYJEGOYEXDAFZ-QMMMGPOBSA-N -1 1 332.791 3.782 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3SCCc4ccccc43)n2)cc1F ZINC000445471945 1028814153 /nfs/dbraw/zinc/81/41/53/1028814153.db2.gz IWIOMRRCYUPIPB-HNNXBMFYSA-N -1 1 328.368 3.960 20 0 EHADMM [O-]c1ccc(-c2noc(CCc3nc4ccccc4s3)n2)c(F)c1 ZINC000445452249 1028821682 /nfs/dbraw/zinc/82/16/82/1028821682.db2.gz BGPUFGJETBROJG-UHFFFAOYSA-N -1 1 341.367 3.976 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc4c(c3)OCCO4)n2)c(F)c1 ZINC000445457009 1028826942 /nfs/dbraw/zinc/82/69/42/1028826942.db2.gz QFTBNNXGOIGOEZ-QHHAFSJGSA-N -1 1 340.310 3.523 20 0 EHADMM COc1cc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)cc(OC)c1 ZINC000445462651 1028832633 /nfs/dbraw/zinc/83/26/33/1028832633.db2.gz MAIFAMGEMWAREI-ZZXKWVIFSA-N -1 1 342.326 3.769 20 0 EHADMM COc1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc2ccccc21 ZINC000445489632 1028849014 /nfs/dbraw/zinc/84/90/14/1028849014.db2.gz ZGSCOFPPPKPYNW-UHFFFAOYSA-N -1 1 337.310 3.805 20 0 EHADMM CC(C)Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc(=O)[nH]1 ZINC000445476650 1028856987 /nfs/dbraw/zinc/85/69/87/1028856987.db2.gz GNYOLNPVPOUSFB-UHFFFAOYSA-N -1 1 329.331 3.547 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1F ZINC000780377283 1028932573 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CCO[C@H](CNC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccc1 ZINC000446492029 1029661731 /nfs/dbraw/zinc/66/17/31/1029661731.db2.gz DVAMUBRDYCCPIN-MRXNPFEDSA-N -1 1 349.814 3.562 20 0 EHADMM [O-]c1ccc(-c2noc(CCCOCCc3ccccc3)n2)cc1F ZINC000278224100 1029725598 /nfs/dbraw/zinc/72/55/98/1029725598.db2.gz RCVSNGQNPHHETK-UHFFFAOYSA-N -1 1 342.370 3.773 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccc(C)o2)n[nH]1 ZINC000446635494 1029731429 /nfs/dbraw/zinc/73/14/29/1029731429.db2.gz WQGZNCNPCLOLJB-UHFFFAOYSA-N -1 1 349.437 3.501 20 0 EHADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000446793165 1029796827 /nfs/dbraw/zinc/79/68/27/1029796827.db2.gz OJBYJYLBVNMVET-UHFFFAOYSA-N -1 1 342.823 3.939 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000080001152 1029805173 /nfs/dbraw/zinc/80/51/73/1029805173.db2.gz HJZKIFCIOPSDMN-UHFFFAOYSA-N -1 1 336.366 3.942 20 0 EHADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C)cc2)c1-c1cccs1 ZINC000446970643 1029876233 /nfs/dbraw/zinc/87/62/33/1029876233.db2.gz DYOPIDFJRMOXJV-UHFFFAOYSA-N -1 1 347.465 3.810 20 0 EHADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1c(F)cc(F)cc1F ZINC000525532439 1029889019 /nfs/dbraw/zinc/88/90/19/1029889019.db2.gz OFXHMLQYLQABPD-UHFFFAOYSA-N -1 1 335.310 3.875 20 0 EHADMM CCc1nc(S[C@@H](CC(C)C)C(=O)OC(C)(C)C)[n-]c(=O)c1C ZINC000600554570 1029966741 /nfs/dbraw/zinc/96/67/41/1029966741.db2.gz FRHLUNRJEQIFPL-ZDUSSCGKSA-N -1 1 340.489 3.902 20 0 EHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000171013919 1030012362 /nfs/dbraw/zinc/01/23/62/1030012362.db2.gz KKVIOJJHMORZSS-NSHDSACASA-N -1 1 325.817 3.848 20 0 EHADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000611776553 1030107145 /nfs/dbraw/zinc/10/71/45/1030107145.db2.gz LKDSEAKEIJKVLQ-QGZVFWFLSA-N -1 1 335.407 3.646 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064475062 1030270183 /nfs/dbraw/zinc/27/01/83/1030270183.db2.gz ZEJARCXHLALMRZ-UHFFFAOYSA-N -1 1 325.480 3.931 20 0 EHADMM Cc1ccc(C2(CNC(=O)c3ccc([O-])cc3F)CCC2)cc1C ZINC000447610431 1030365245 /nfs/dbraw/zinc/36/52/45/1030365245.db2.gz RHEWIKRGPDGZTB-UHFFFAOYSA-N -1 1 327.399 4.000 20 0 EHADMM Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)CCCOc2ccc(Cl)cc2)n1 ZINC000447856195 1030546134 /nfs/dbraw/zinc/54/61/34/1030546134.db2.gz YTZDXFFNNFHGOU-CYBMUJFWSA-N -1 1 335.835 3.606 20 0 EHADMM O=C([O-])[C@]1(F)CN(Cc2ccc(SC(F)F)cc2)CC12CCC2 ZINC000901913102 1030729757 /nfs/dbraw/zinc/72/97/57/1030729757.db2.gz APWMCJSTLJOOHJ-MRXNPFEDSA-N -1 1 345.386 3.780 20 0 EHADMM CN1CCN(C(=O)c2ccc3ccccc3c2[O-])c2cc(F)ccc21 ZINC000537673249 1030921661 /nfs/dbraw/zinc/92/16/61/1030921661.db2.gz GMQRQXITYDIVLN-UHFFFAOYSA-N -1 1 336.366 3.781 20 0 EHADMM CC(C)CCSCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000098093041 1031004816 /nfs/dbraw/zinc/00/48/16/1031004816.db2.gz HWNQBQJSKQNXTR-UHFFFAOYSA-N -1 1 349.496 3.593 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(N(C)C)cc2)c1 ZINC000483188237 1031029825 /nfs/dbraw/zinc/02/98/25/1031029825.db2.gz FUQZYQCSIUVNGV-UHFFFAOYSA-N -1 1 349.228 3.781 20 0 EHADMM Cc1c2ccccc2oc1[C@@H](NCc1cc(C(=O)[O-])nn1C)C(C)C ZINC000635305202 1031075726 /nfs/dbraw/zinc/07/57/26/1031075726.db2.gz FCSMFCIJMLUWES-KRWDZBQOSA-N -1 1 341.411 3.660 20 0 EHADMM CCc1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1C ZINC000537698334 1031141879 /nfs/dbraw/zinc/14/18/79/1031141879.db2.gz WRKKFOOKEQMCCR-UHFFFAOYSA-N -1 1 345.468 3.655 20 0 EHADMM [O-]c1ccc(-c2noc(-c3coc(Br)c3)n2)cc1F ZINC000445481975 1031172372 /nfs/dbraw/zinc/17/23/72/1031172372.db2.gz NPSRRTDRQXWXHO-UHFFFAOYSA-N -1 1 325.093 3.604 20 0 EHADMM Cc1cnc(SCc2cccc(C(=O)OC(C)(C)C)c2)[n-]c1=O ZINC000568270417 1031281128 /nfs/dbraw/zinc/28/11/28/1031281128.db2.gz DWNMHFVWKJEVCY-UHFFFAOYSA-N -1 1 332.425 3.738 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1CC ZINC000484249602 1031500377 /nfs/dbraw/zinc/50/03/77/1031500377.db2.gz BMDLHEOGXNEXFG-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1csc2ccccc12 ZINC000484256460 1031503669 /nfs/dbraw/zinc/50/36/69/1031503669.db2.gz QGBKYNWETSNETJ-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1 ZINC000083577306 1031514032 /nfs/dbraw/zinc/51/40/32/1031514032.db2.gz KUGXLINDYDOOBO-UHFFFAOYSA-N -1 1 330.453 3.650 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(C)c1 ZINC000477430912 1031541794 /nfs/dbraw/zinc/54/17/94/1031541794.db2.gz ZHQHNNVLCKDYOE-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COCc1ccccc1/C=C(\C)CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000904023650 1031616596 /nfs/dbraw/zinc/61/65/96/1031616596.db2.gz JYMJBGRLTOUHRC-RPHSKFLZSA-N -1 1 346.452 3.742 20 0 EHADMM Cc1coc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000904011169 1031627564 /nfs/dbraw/zinc/62/75/64/1031627564.db2.gz ZVWMIFPIWIKGCF-CQSZACIVSA-N -1 1 327.302 3.912 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000484545616 1031707270 /nfs/dbraw/zinc/70/72/70/1031707270.db2.gz VMSQXKHMVGHXKD-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM CCOc1cc(-c2noc(-c3cnn(C4CC4)c3)n2)cc(Cl)c1[O-] ZINC000528166526 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Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(Br)s1 ZINC000144310958 1033605225 /nfs/dbraw/zinc/60/52/25/1033605225.db2.gz PDIYHBOFLLRICO-UHFFFAOYSA-N -1 1 330.178 3.916 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Br)c(F)c1 ZINC000608366811 1033640448 /nfs/dbraw/zinc/64/04/48/1033640448.db2.gz ZYGLHAKZOHMXIJ-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2ccccc2c1[O-] ZINC000603482066 1033680805 /nfs/dbraw/zinc/68/08/05/1033680805.db2.gz SUGVKRZFTFTISV-UHFFFAOYSA-N -1 1 349.386 3.589 20 0 EHADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H](C)C1 ZINC000120476835 1033849734 /nfs/dbraw/zinc/84/97/34/1033849734.db2.gz ULERGQHGIKWMKL-MNOVXSKESA-N -1 1 326.234 3.663 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(C)c1 ZINC000055687859 1033981008 /nfs/dbraw/zinc/98/10/08/1033981008.db2.gz WGZNTNFYDCNZPM-UHFFFAOYSA-N -1 1 347.436 3.787 20 0 EHADMM CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539058 1034140841 /nfs/dbraw/zinc/14/08/41/1034140841.db2.gz 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C[C@@H]1CCN(C(=O)c2csc(=NC3CC3)[n-]2)CC12CCCCC2 ZINC000463163941 1037812320 /nfs/dbraw/zinc/81/23/20/1037812320.db2.gz UNVBLHRUMVKFKP-CYBMUJFWSA-N -1 1 333.501 3.572 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(F)c2F)c1 ZINC000182914261 1037923634 /nfs/dbraw/zinc/92/36/34/1037923634.db2.gz KUIUEGXMAPRISN-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM Cc1ccc(NC(=O)C2(C)CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000123742157 1038065218 /nfs/dbraw/zinc/06/52/18/1038065218.db2.gz VAGLVAJDKDCMFF-UHFFFAOYSA-N -1 1 344.436 3.534 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCSC[C@H]1C1CCC1 ZINC000416116854 1038175832 /nfs/dbraw/zinc/17/58/32/1038175832.db2.gz SOECWXBLIDZQIQ-KRWDZBQOSA-N -1 1 327.449 3.903 20 0 EHADMM O=C(Nc1cc(Br)c(F)cc1F)c1cc(F)ccc1[O-] ZINC000228197663 1038224232 /nfs/dbraw/zinc/22/42/32/1038224232.db2.gz IYMQHAXLIIULRE-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(-c2ccccc2)no1 ZINC000339121144 1038349468 /nfs/dbraw/zinc/34/94/68/1038349468.db2.gz RFBMPNCRAVMYSE-UHFFFAOYSA-N -1 1 346.346 3.690 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416255565 1038432121 /nfs/dbraw/zinc/43/21/21/1038432121.db2.gz IRTWBWYPHUDGAX-CYBMUJFWSA-N -1 1 335.325 3.657 20 0 EHADMM CC[C@H]1CC[C@@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000552026180 1038605329 /nfs/dbraw/zinc/60/53/29/1038605329.db2.gz AAUZANBSLDWPLG-KWQFWETISA-N -1 1 348.624 3.704 20 0 EHADMM CCc1nnc([N-]C(=O)c2cnc(-c3ccccc3F)s2)s1 ZINC000067297037 1038887790 /nfs/dbraw/zinc/88/77/90/1038887790.db2.gz UGGQLFJPKLDYDD-UHFFFAOYSA-N -1 1 334.401 3.615 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCCC2(C)C)c1 ZINC000174954774 1038937703 /nfs/dbraw/zinc/93/77/03/1038937703.db2.gz UHDZPYIVACQRBW-AWEZNQCLSA-N -1 1 344.484 3.611 20 0 EHADMM CC[C@@H](SC)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552207266 1039050223 /nfs/dbraw/zinc/05/02/23/1039050223.db2.gz IVDFIIYKYVRXQW-SECBINFHSA-N -1 1 338.654 3.888 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1F ZINC000485417841 1039051771 /nfs/dbraw/zinc/05/17/71/1039051771.db2.gz OBMNYNIYGGGJIW-UHFFFAOYSA-N -1 1 345.342 3.530 20 0 EHADMM Cc1ccoc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552208524 1039084498 /nfs/dbraw/zinc/08/44/98/1039084498.db2.gz QLEZXCLVWMTQPJ-UHFFFAOYSA-N -1 1 330.565 3.962 20 0 EHADMM O=C(Nc1ccc(SCc2cccnc2)cc1)c1cncc([O-])c1 ZINC000109042897 1039606543 /nfs/dbraw/zinc/60/65/43/1039606543.db2.gz UFHRULSQAGLGDO-UHFFFAOYSA-N -1 1 337.404 3.727 20 0 EHADMM COc1cc(C(=O)Nc2cnc3ccccc3c2)cc(Cl)c1[O-] ZINC000345067530 1039615474 /nfs/dbraw/zinc/61/54/74/1039615474.db2.gz OQEHHEGXSWPXMN-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3nccc4sccc43)c2)c1 ZINC000614080437 1039640727 /nfs/dbraw/zinc/64/07/27/1039640727.db2.gz BTTOZPZKPIXSKH-UHFFFAOYSA-N -1 1 335.388 3.727 20 0 EHADMM CCC[C@@H](CC1CCCC1)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000912246903 1039775293 /nfs/dbraw/zinc/77/52/93/1039775293.db2.gz GPWRIRRIIORFSL-ZDUSSCGKSA-N -1 1 337.489 3.517 20 0 EHADMM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1Cl ZINC000478933862 1039840516 /nfs/dbraw/zinc/84/05/16/1039840516.db2.gz IYCUSBVSFPOBSI-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000906990949 1039869188 /nfs/dbraw/zinc/86/91/88/1039869188.db2.gz ITBBCPTYCGKXKO-GOSISDBHSA-N -1 1 341.451 3.950 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1C[C@@H]2CCCC[C@H]2C1 ZINC000554877926 1039878881 /nfs/dbraw/zinc/87/88/81/1039878881.db2.gz RSVSRXHXUONMOO-RYUDHWBXSA-N -1 1 330.815 3.856 20 0 EHADMM O=c1cc(/C=C\c2ccc(Oc3cccc(F)c3)cc2)nc2nc[n-]n21 ZINC000486142726 1039915229 /nfs/dbraw/zinc/91/52/29/1039915229.db2.gz CMSHMCNCGORVRS-DAXSKMNVSA-N -1 1 348.337 3.519 20 0 EHADMM CCN(Cc1ccccc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000119235807 1039923419 /nfs/dbraw/zinc/92/34/19/1039923419.db2.gz ADMZFUTXHMWFSW-UHFFFAOYSA-N -1 1 334.213 3.817 20 0 EHADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000479141437 1039995894 /nfs/dbraw/zinc/99/58/94/1039995894.db2.gz ODQTYINIORPNAS-UHFFFAOYSA-N -1 1 329.425 3.796 20 0 EHADMM Cc1nn(C(C)C)cc1CN[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000417559909 1040000027 /nfs/dbraw/zinc/00/00/27/1040000027.db2.gz YLSSPRIZUILZFV-MRXNPFEDSA-N -1 1 335.835 3.731 20 0 EHADMM CC[C@@H](CN(CC)C(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000907503975 1040076633 /nfs/dbraw/zinc/07/66/33/1040076633.db2.gz WGCPLCFSSOSBHH-AWEZNQCLSA-N -1 1 339.439 3.716 20 0 EHADMM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1cnc(C2CC2)[n-]c1=O ZINC000907723949 1040146301 /nfs/dbraw/zinc/14/63/01/1040146301.db2.gz GRQRWLZNTCLFOU-JKSUJKDBSA-N -1 1 337.423 3.516 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1C(C)C ZINC000432953399 1040265646 /nfs/dbraw/zinc/26/56/46/1040265646.db2.gz IFRUZYDDGYUUFA-UHFFFAOYSA-N -1 1 349.456 3.528 20 0 EHADMM C[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCCO1 ZINC000908155026 1040301881 /nfs/dbraw/zinc/30/18/81/1040301881.db2.gz GLFJLLSJPDMSIE-WRWORJQWSA-N -1 1 348.624 3.562 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)CC(C)(C)C(F)(F)F)[nH][n-]2)c1 ZINC000481072316 1040335269 /nfs/dbraw/zinc/33/52/69/1040335269.db2.gz LPKZCQIWXFWRQE-UHFFFAOYSA-N -1 1 343.324 3.863 20 0 EHADMM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(-c2ncncc2Cl)c1=O ZINC000899351108 1040373040 /nfs/dbraw/zinc/37/30/40/1040373040.db2.gz ZSLAWDRRYBIPNE-ZDUSSCGKSA-N -1 1 349.221 3.807 20 0 EHADMM Cc1coc2ccc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)cc12 ZINC000479571436 1040395304 /nfs/dbraw/zinc/39/53/04/1040395304.db2.gz TXZBKFFGJJWDKV-UHFFFAOYSA-N -1 1 341.310 3.959 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000092604542 1040454693 /nfs/dbraw/zinc/45/46/93/1040454693.db2.gz HYVZKVKPYACNMJ-QGZVFWFLSA-N -1 1 349.789 3.523 20 0 EHADMM O=c1nc(CN2CCC[C@@H](c3ccccc3)C2)[n-]c2ccsc21 ZINC000433056701 1040592534 /nfs/dbraw/zinc/59/25/34/1040592534.db2.gz DTBCQRPAHKRDAR-CQSZACIVSA-N -1 1 325.437 3.777 20 0 EHADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908713397 1040607119 /nfs/dbraw/zinc/60/71/19/1040607119.db2.gz RUFRAKYCHLSODM-GHMZBOCLSA-N -1 1 342.233 3.689 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 ZINC000490699950 1040692519 /nfs/dbraw/zinc/69/25/19/1040692519.db2.gz ZLGBLVUHHPPOAX-UHFFFAOYSA-N -1 1 347.436 3.669 20 0 EHADMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000462101231 1040696985 /nfs/dbraw/zinc/69/69/85/1040696985.db2.gz JYHNEPSYUURYFW-UHFFFAOYSA-N -1 1 325.455 3.974 20 0 EHADMM CCCN(C(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(CC)cc1 ZINC000909015072 1040764306 /nfs/dbraw/zinc/76/43/06/1040764306.db2.gz ZTDDAKMGULFSTM-UHFFFAOYSA-N -1 1 325.412 3.679 20 0 EHADMM CCCc1nc(C)c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)s1 ZINC000487305045 1040905080 /nfs/dbraw/zinc/90/50/80/1040905080.db2.gz XOQVIUXKEGWIRY-UHFFFAOYSA-N -1 1 348.472 3.758 20 0 EHADMM CC[C@H](C)c1nc(C)c(CC(=O)Nc2cc([O-])c(F)cc2F)c(C)n1 ZINC000909988346 1041121317 /nfs/dbraw/zinc/12/13/17/1041121317.db2.gz GIJNTGXLDLBICD-VIFPVBQESA-N -1 1 349.381 3.772 20 0 EHADMM CCCOc1ccc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc1 ZINC000555774013 1041128938 /nfs/dbraw/zinc/12/89/38/1041128938.db2.gz ZGLUGAJGHHCOCE-QBFSEMIESA-N -1 1 342.395 3.708 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2C)c1 ZINC000036692987 1041358510 /nfs/dbraw/zinc/35/85/10/1041358510.db2.gz WPJPOWKHMOXMAH-UHFFFAOYSA-N -1 1 347.436 3.669 20 0 EHADMM CCOC(=O)[C@@H](CCCC(C)C)NCc1cccc([O-])c1Cl ZINC001207519749 1041789896 /nfs/dbraw/zinc/78/98/96/1041789896.db2.gz RTRDJAJZCLTBDB-CQSZACIVSA-N -1 1 327.852 3.893 20 0 EHADMM O=S(=O)([N-]Cc1ccco1)c1c(Cl)cc(Cl)cc1Cl ZINC000045816376 1042145652 /nfs/dbraw/zinc/14/56/52/1042145652.db2.gz IOZZGIRPGUBISI-UHFFFAOYSA-N -1 1 340.615 3.718 20 0 EHADMM CCn1c2ccc(C(=O)[O-])cc2nc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000652415251 1042465213 /nfs/dbraw/zinc/46/52/13/1042465213.db2.gz BZVITMADQNGDKN-KRWDZBQOSA-N -1 1 341.455 3.909 20 0 EHADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]1c1cccnc1 ZINC000663173045 1042517427 /nfs/dbraw/zinc/51/74/27/1042517427.db2.gz VDJACZUZXWZWJM-GOSISDBHSA-N -1 1 333.391 3.559 20 0 EHADMM C[C@@H](CN(C)C(=O)c1ccc2ccccc2c1[O-])c1nccs1 ZINC000184975203 1042621714 /nfs/dbraw/zinc/62/17/14/1042621714.db2.gz KNTMQKFLYWKPGQ-LBPRGKRZSA-N -1 1 326.421 3.878 20 0 EHADMM Cc1csc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000069168196 1042798774 /nfs/dbraw/zinc/79/87/74/1042798774.db2.gz YLWRNPVCEKEXQO-QMMMGPOBSA-N -1 1 327.793 3.570 20 0 EHADMM CC(C)(C(=O)Nc1nc(Br)ccc1[O-])c1cccs1 ZINC000188336751 1042895365 /nfs/dbraw/zinc/89/53/65/1042895365.db2.gz KRBPJDJWXWGMSF-UHFFFAOYSA-N -1 1 341.230 3.528 20 0 EHADMM COc1ccc2[nH]cc(CC(=O)Nc3ccc([O-])c(Cl)c3)c2c1 ZINC000111668003 1042993874 /nfs/dbraw/zinc/99/38/74/1042993874.db2.gz BHQILHSFTLCYRV-UHFFFAOYSA-N -1 1 330.771 3.717 20 0 EHADMM CCSc1nnc([N-]C(=O)c2oc(-c3ccccc3)nc2C)s1 ZINC000344049524 1043168583 /nfs/dbraw/zinc/16/85/83/1043168583.db2.gz OJUHLVOQENXBIQ-UHFFFAOYSA-N -1 1 346.437 3.866 20 0 EHADMM CCN(Cc1ccc(OC)cc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153609602 1125637639 /nfs/dbraw/zinc/63/76/39/1125637639.db2.gz QARFTPXHTPOQET-UHFFFAOYSA-N -1 1 349.814 3.725 20 0 EHADMM COc1cc(C(=O)N[C@H](Cc2ccccc2)C2CC2)cc(Cl)c1[O-] ZINC000153857582 1125668498 /nfs/dbraw/zinc/66/84/98/1125668498.db2.gz ZFKIFVPPHHSGTB-MRXNPFEDSA-N -1 1 345.826 3.805 20 0 EHADMM CSc1nc(CNC(=O)C=C[C@]2(C)CC[C@H](C)C2(C)C)cc(=O)[n-]1 ZINC000824952198 1131234029 /nfs/dbraw/zinc/23/40/29/1131234029.db2.gz LTADXQHKCYFWTR-JNTOLUJYSA-N -1 1 349.500 3.539 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC(C1CCCC1)C1CCCC1 ZINC000081759049 1126727994 /nfs/dbraw/zinc/72/79/94/1126727994.db2.gz RWGBFQUWSXCTTB-UHFFFAOYSA-N -1 1 345.487 3.681 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cc4ccccc4o3)no2)c1 ZINC000350570199 1127087389 /nfs/dbraw/zinc/08/73/89/1127087389.db2.gz NPUOTXGPWJUGFD-UHFFFAOYSA-N -1 1 335.319 3.814 20 0 EHADMM C[S@@](=O)Cc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000350810854 1127104098 /nfs/dbraw/zinc/10/40/98/1127104098.db2.gz BBZNKMINMFJLIP-HSZRJFAPSA-N -1 1 348.811 3.641 20 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TWLVYMMMOSWBMK-SKDRFNHKSA-N -1 1 333.762 3.627 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000672163552 1128825582 /nfs/dbraw/zinc/82/55/82/1128825582.db2.gz SCIXVDDCAKMRGW-JZXOWHBKSA-N -1 1 325.383 3.940 20 0 EHADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1ccc(Br)c([O-])c1 ZINC001648846695 1120054027 /nfs/dbraw/zinc/05/40/27/1120054027.db2.gz GQNRANJNTQYFMD-QWHCGFSZSA-N -1 1 338.245 3.711 20 0 EHADMM CC(C)[C@@H]1N(C(=O)C(=O)c2ccc([O-])cc2)CC12CCCCCC2 ZINC001648893689 1120061447 /nfs/dbraw/zinc/06/14/47/1120061447.db2.gz BUQJWFCYNXVRGR-SFHVURJKSA-N -1 1 329.440 3.782 20 0 EHADMM COc1c(F)ccc(F)c1C(=O)[N-]c1cc(-c2cccs2)on1 ZINC001648899948 1120063549 /nfs/dbraw/zinc/06/35/49/1120063549.db2.gz CGTGHEFXFPPKMQ-UHFFFAOYSA-N -1 1 336.319 3.942 20 0 EHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)sc3c2)cc1 ZINC000080781867 1120116363 /nfs/dbraw/zinc/11/63/63/1120116363.db2.gz CAHLTTRIUDGSSS-UHFFFAOYSA-N -1 1 348.449 3.514 20 0 EHADMM CCc1ccc(CN(C)C(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000481858236 1120348611 /nfs/dbraw/zinc/34/86/11/1120348611.db2.gz VCPOKGKREVXAJL-UHFFFAOYSA-N -1 1 348.240 3.989 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CCCc2ccccc2C1 ZINC000223488857 1120643474 /nfs/dbraw/zinc/64/34/74/1120643474.db2.gz PEKVGABUJGMWBU-UHFFFAOYSA-N -1 1 346.224 3.743 20 0 EHADMM COC(=O)c1ccc(F)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000190936872 1120655169 /nfs/dbraw/zinc/65/51/69/1120655169.db2.gz ACTRNTAFZHGVIU-UHFFFAOYSA-N -1 1 338.722 3.615 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000494817442 1120865406 /nfs/dbraw/zinc/86/54/06/1120865406.db2.gz DJSISEQXRKRQSV-UHFFFAOYSA-N -1 1 336.366 3.769 20 0 EHADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000227535705 1120891637 /nfs/dbraw/zinc/89/16/37/1120891637.db2.gz DDCWFEPOMGWVJQ-PWSUYJOCSA-N -1 1 326.234 3.853 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCC[C@H]1C1CC1 ZINC000648732192 1120894830 /nfs/dbraw/zinc/89/48/30/1120894830.db2.gz MEXIHMRACQCBFE-HOTGVXAUSA-N -1 1 325.412 3.937 20 0 EHADMM [O-]c1ccc(-c2noc(C[C@H]3CCC[C@@H](C(F)(F)F)O3)n2)c(F)c1 ZINC000924003852 1120956192 /nfs/dbraw/zinc/95/61/92/1120956192.db2.gz BOUSVIRDAHNZDS-SKDRFNHKSA-N -1 1 346.280 3.624 20 0 EHADMM CCOc1cc(C(=O)N(C)Cc2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000193172993 1120958343 /nfs/dbraw/zinc/95/83/43/1120958343.db2.gz OAUGWNBJJYQLIJ-UHFFFAOYSA-N -1 1 349.814 3.725 20 0 EHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000008697891 1128952247 /nfs/dbraw/zinc/95/22/47/1128952247.db2.gz KYZQHOLRZKXCEQ-UHFFFAOYSA-N -1 1 341.436 3.728 20 0 EHADMM C[C@H]1C[C@H]1c1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000495357227 1121111519 /nfs/dbraw/zinc/11/15/19/1121111519.db2.gz JTXORBYOBKAYGR-JOYOIKCWSA-N -1 1 331.372 3.913 20 0 EHADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000007060330 1121324508 /nfs/dbraw/zinc/32/45/08/1121324508.db2.gz UNUSBBFRWPOULB-UHFFFAOYSA-N -1 1 345.251 3.860 20 0 EHADMM CCOc1cc(C(=O)NCc2c(C)cccc2F)cc(Cl)c1[O-] ZINC000762612075 1121379209 /nfs/dbraw/zinc/37/92/09/1121379209.db2.gz KQIMMWBKKTZMJV-UHFFFAOYSA-N -1 1 337.778 3.822 20 0 EHADMM C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000496946532 1122216855 /nfs/dbraw/zinc/21/68/55/1122216855.db2.gz SALVCTRBLITBPE-OCCSQVGLSA-N -1 1 348.443 4.000 20 0 EHADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000128203693 1122538011 /nfs/dbraw/zinc/53/80/11/1122538011.db2.gz BCEDXNHSBDLYBO-LBPRGKRZSA-N -1 1 326.234 3.805 20 0 EHADMM CCOc1ncccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000917753829 1122677137 /nfs/dbraw/zinc/67/71/37/1122677137.db2.gz WGKUAKWIFLKDNJ-PKNBQFBNSA-N -1 1 338.816 3.546 20 0 EHADMM CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1(C)C ZINC000670418270 1122706158 /nfs/dbraw/zinc/70/61/58/1122706158.db2.gz KTPMTDOLYQTCLT-XJKSGUPXSA-N -1 1 345.361 3.687 20 0 EHADMM O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1ccc([O-])c(Cl)c1 ZINC000129564168 1122802835 /nfs/dbraw/zinc/80/28/35/1122802835.db2.gz CAIAJEYTMFMQMK-UHFFFAOYSA-N -1 1 344.798 3.502 20 0 EHADMM CCOCCOc1c(Cl)cccc1NC(=O)c1ccccc1[O-] ZINC000130327839 1122935475 /nfs/dbraw/zinc/93/54/75/1122935475.db2.gz DMPGBODEOYOGHC-UHFFFAOYSA-N -1 1 335.787 3.713 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1Oc1ccccc1 ZINC000071835821 1123014253 /nfs/dbraw/zinc/01/42/53/1123014253.db2.gz WFIKERJAHIEHKL-UHFFFAOYSA-N -1 1 348.284 3.868 20 0 EHADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1c(F)cccc1F ZINC000152621810 1123029693 /nfs/dbraw/zinc/02/96/93/1123029693.db2.gz XFCAGLZTTUFJKU-VOTSOKGWSA-N -1 1 333.319 3.832 20 0 EHADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001649036139 1123357056 /nfs/dbraw/zinc/35/70/56/1123357056.db2.gz ZMBCQBDBFHHCPH-RSLMWUCJSA-N -1 1 330.815 3.616 20 0 EHADMM O=S(=O)([N-]CCC1(c2ccccc2)CC1)c1ccc(C(F)F)o1 ZINC000920907036 1123439049 /nfs/dbraw/zinc/43/90/49/1123439049.db2.gz CNDMJABIQCHJEG-UHFFFAOYSA-N -1 1 341.379 3.617 20 0 EHADMM COc1cc(CN(C)C(=O)c2cc3ccccc3cc2[O-])ccc1O ZINC000135354787 1123604560 /nfs/dbraw/zinc/60/45/60/1123604560.db2.gz PCJHQGDEVKGBRL-UHFFFAOYSA-N -1 1 337.375 3.532 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000618110307 1124991492 /nfs/dbraw/zinc/99/14/92/1124991492.db2.gz ZFRLMQDPFVJXJN-MRXNPFEDSA-N -1 1 347.798 3.633 20 0 EHADMM CCN(Cc1ccc(C)cc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735296820 1131328687 /nfs/dbraw/zinc/32/86/87/1131328687.db2.gz BFQWPQHYRVAEEJ-UHFFFAOYSA-N -1 1 339.468 3.791 20 0 EHADMM CCOc1cc(C(=O)NCC[C@@]2(C)CC2(F)F)cc(Cl)c1[O-] ZINC000618621133 1125136403 /nfs/dbraw/zinc/13/64/03/1125136403.db2.gz DHRXHLPURHIPED-AWEZNQCLSA-N -1 1 333.762 3.610 20 0 EHADMM Cc1cc([C@@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2)c(O)cc1Cl ZINC000619369020 1125337434 /nfs/dbraw/zinc/33/74/34/1125337434.db2.gz CFYBOBURCUXERR-GFCCVEGCSA-N -1 1 349.789 3.828 20 0 EHADMM CC[C@@H](C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC)C(F)(F)F ZINC001128427856 1129228497 /nfs/dbraw/zinc/22/84/97/1129228497.db2.gz VEENQUUURVOFLA-SKDRFNHKSA-N -1 1 339.304 3.880 20 0 EHADMM Cn1cc([C@@H]2N(C(=O)c3cc4ccccc4cc3[O-])CC2(C)C)cn1 ZINC000673535651 1129489347 /nfs/dbraw/zinc/48/93/47/1129489347.db2.gz OACFRPGNBKPEMA-SFHVURJKSA-N -1 1 335.407 3.502 20 0 EHADMM CCOc1cc(C(=O)NCCCOc2ccccc2)cc(Cl)c1[O-] ZINC000178452678 1131377738 /nfs/dbraw/zinc/37/77/38/1131377738.db2.gz HMRSDPHOEBRBTC-UHFFFAOYSA-N -1 1 349.814 3.643 20 0 EHADMM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1sccc1F ZINC000338853567 1129524945 /nfs/dbraw/zinc/52/49/45/1129524945.db2.gz ZJZQLNUBBNZALJ-NSHDSACASA-N -1 1 347.433 3.542 20 0 EHADMM Cc1ccc2c(CSc3nc(C4CC4)cc(=O)[n-]3)ccc(O)c2n1 ZINC000509088574 1129735598 /nfs/dbraw/zinc/73/55/98/1129735598.db2.gz DAADVTJUUHRADD-UHFFFAOYSA-N -1 1 339.420 3.914 20 0 EHADMM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c(F)ccc([O-])c1F ZINC000347791257 1129787197 /nfs/dbraw/zinc/78/71/97/1129787197.db2.gz GPWBSQIBRGCVEO-UHFFFAOYSA-N -1 1 345.267 3.961 20 0 EHADMM O=C(COc1ccc2c(c1)CCCC2)Nc1ccc([O-])c(Cl)c1 ZINC000509169783 1129905068 /nfs/dbraw/zinc/90/50/68/1129905068.db2.gz SOPBFOUOOXDANU-UHFFFAOYSA-N -1 1 331.799 3.942 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(COC(C)(C)C)cc2)c([O-])c1 ZINC000674524408 1130115720 /nfs/dbraw/zinc/11/57/20/1130115720.db2.gz OFDZFALKKKPTDE-UHFFFAOYSA-N -1 1 329.396 3.968 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccccc2-c2ccccc2)n1 ZINC001128847033 1130206485 /nfs/dbraw/zinc/20/64/85/1130206485.db2.gz KBLOLNJAOJIVSS-UHFFFAOYSA-N -1 1 335.363 3.506 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1 ZINC000674868720 1130212175 /nfs/dbraw/zinc/21/21/75/1130212175.db2.gz BSDCNGYFNYUSBR-UHFFFAOYSA-N -1 1 330.434 3.758 20 0 EHADMM Cc1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1F ZINC000675511797 1130419626 /nfs/dbraw/zinc/41/96/26/1130419626.db2.gz AWTZTBSXZJDSRI-UHFFFAOYSA-N -1 1 341.382 3.575 20 0 EHADMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000823066720 1131037399 /nfs/dbraw/zinc/03/73/99/1131037399.db2.gz WWBRLLKPGNSDTM-INIZCTEOSA-N -1 1 325.412 3.673 20 0 EHADMM COc1ccc(CC[C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000742824063 1131794741 /nfs/dbraw/zinc/79/47/41/1131794741.db2.gz MSMZXRNLOZNGHT-LBPRGKRZSA-N -1 1 333.815 3.805 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3ccc4ccccc4n3)no2)[n-]1 ZINC001212690076 1131901222 /nfs/dbraw/zinc/90/12/22/1131901222.db2.gz WOMXDJSJUYLMLC-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccc4ccccc4n3)no2)n1 ZINC001212690076 1131901228 /nfs/dbraw/zinc/90/12/28/1131901228.db2.gz WOMXDJSJUYLMLC-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM COc1ccc(-c2noc(-c3ccncc3[O-])n2)c(C(F)(F)F)c1 ZINC001212721394 1132055588 /nfs/dbraw/zinc/05/55/88/1132055588.db2.gz NYEZEOMFMSKUPE-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM Cc1cc(-c2noc(-c3ccncc3[O-])n2)ccc1Br ZINC001212721348 1132055791 /nfs/dbraw/zinc/05/57/91/1132055791.db2.gz LNEYOOVOXFGVIK-UHFFFAOYSA-N -1 1 332.157 3.575 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc3ncccc32)c1 ZINC000744629905 1132133284 /nfs/dbraw/zinc/13/32/84/1132133284.db2.gz JZOFXGJKSATDBS-UHFFFAOYSA-N -1 1 335.359 3.543 20 0 EHADMM COC(=O)c1cc(Br)c([O-])c(Nc2ccccc2F)c1 ZINC001173847119 1132154062 /nfs/dbraw/zinc/15/40/62/1132154062.db2.gz MNFJRRLXOSRRBU-UHFFFAOYSA-N -1 1 340.148 3.824 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1c(C)cc(C)cc1C ZINC001173847601 1132154453 /nfs/dbraw/zinc/15/44/53/1132154453.db2.gz DJLKIJQFJUOMTA-UHFFFAOYSA-N -1 1 343.452 3.973 20 0 EHADMM CCc1noc([C@H](C)OC(=O)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000744978335 1132174569 /nfs/dbraw/zinc/17/45/69/1132174569.db2.gz PODREFLTAGHUMD-LURJTMIESA-N -1 1 331.155 3.562 20 0 EHADMM COc1ccc(Cn2cc(Nc3c([O-])cc(F)cc3F)c(C)n2)cc1 ZINC001174577982 1132405059 /nfs/dbraw/zinc/40/50/59/1132405059.db2.gz HXJFNEMCPDUXDU-UHFFFAOYSA-N -1 1 345.349 3.976 20 0 EHADMM CCOc1cc(C(=O)NC[C@H]2Cc3ccccc32)cc(Cl)c1[O-] ZINC000186653087 1132423702 /nfs/dbraw/zinc/42/37/02/1132423702.db2.gz KRQYQOAZJHSEBT-CYBMUJFWSA-N -1 1 331.799 3.514 20 0 EHADMM O=C(Nc1cncc(C(F)F)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001174886826 1132482548 /nfs/dbraw/zinc/48/25/48/1132482548.db2.gz RWWNVXHRBXGFJL-UHFFFAOYSA-N -1 1 332.228 3.996 20 0 EHADMM CC(C)(C)OC(=O)N1CCC(=CNc2cc([O-])c(F)c(F)c2)CC1 ZINC001174846092 1132484687 /nfs/dbraw/zinc/48/46/87/1132484687.db2.gz GMLSCFBKEGWWJJ-UHFFFAOYSA-N -1 1 340.370 3.997 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(F)cc2C(F)(F)F)c1 ZINC001175103487 1132555004 /nfs/dbraw/zinc/55/50/04/1132555004.db2.gz RVGSTVYTFMASSO-UHFFFAOYSA-N -1 1 349.305 3.697 20 0 EHADMM CCOc1cc(C)c(Nc2cc(S(=O)(=O)CC)ccc2[O-])c(C)c1 ZINC001175174296 1132589425 /nfs/dbraw/zinc/58/94/25/1132589425.db2.gz VNUUUMWGLNNYOT-UHFFFAOYSA-N -1 1 349.452 3.945 20 0 EHADMM O=C(OCc1nnc(-c2ccccc2)s1)c1c([O-])cc(F)cc1F ZINC000766699461 1132753522 /nfs/dbraw/zinc/75/35/22/1132753522.db2.gz CBAXMUFHKMNNGM-UHFFFAOYSA-N -1 1 348.330 3.546 20 0 EHADMM CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc([N-]c2cscn2)on1 ZINC001175941755 1132791602 /nfs/dbraw/zinc/79/16/02/1132791602.db2.gz XFJXFHZRKJNCHO-LLVKDONJSA-N -1 1 336.417 3.947 20 0 EHADMM Nc1ccc2c(Br)nn(-c3ccc(Cl)c([O-])c3)c2c1 ZINC001212592991 1132813476 /nfs/dbraw/zinc/81/34/76/1132813476.db2.gz ANKVPGSRPDPVHR-UHFFFAOYSA-N -1 1 338.592 3.729 20 0 EHADMM [O-]C(c1ccc(NC2=CCOCC2)cc1)(C(F)(F)F)C(F)(F)F ZINC001176142722 1132844531 /nfs/dbraw/zinc/84/45/31/1132844531.db2.gz MDDCQYGUSWCOHU-UHFFFAOYSA-N -1 1 341.251 3.715 20 0 EHADMM [O-]C(c1cccc(NC2=CCOCC2)c1)(C(F)(F)F)C(F)(F)F ZINC001176145956 1132845874 /nfs/dbraw/zinc/84/58/74/1132845874.db2.gz MWUXFXGAZPKKMM-UHFFFAOYSA-N -1 1 341.251 3.715 20 0 EHADMM CNC(=O)N(C)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC001176211381 1132874668 /nfs/dbraw/zinc/87/46/68/1132874668.db2.gz QERWJGCLFGWPDH-UHFFFAOYSA-N -1 1 349.390 3.573 20 0 EHADMM Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2F)c(Cl)cc1F ZINC000773567481 1132905971 /nfs/dbraw/zinc/90/59/71/1132905971.db2.gz WAPKSRWNYGMTJE-UHFFFAOYSA-N -1 1 340.709 3.672 20 0 EHADMM CCOC(=O)c1c(C)nsc1[N-]c1c(F)cc(F)c(F)c1F ZINC001176346753 1132906023 /nfs/dbraw/zinc/90/60/23/1132906023.db2.gz PVPHNMXNOMBCMA-UHFFFAOYSA-N -1 1 334.294 3.928 20 0 EHADMM CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773569713 1132921568 /nfs/dbraw/zinc/92/15/68/1132921568.db2.gz VXFRTOOSSSBRAI-LBPRGKRZSA-N -1 1 345.370 3.839 20 0 EHADMM COc1cccc([C@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2(C)C)c1 ZINC001176415485 1132933833 /nfs/dbraw/zinc/93/38/33/1132933833.db2.gz HUXTZGGJLNTPDQ-QGZVFWFLSA-N -1 1 343.398 3.948 20 0 EHADMM O=C(OCCOc1ccc(F)cc1Cl)c1ccc([O-])cc1F ZINC000773581183 1132948193 /nfs/dbraw/zinc/94/81/93/1132948193.db2.gz KUUYPNMGJOCLIN-UHFFFAOYSA-N -1 1 328.698 3.560 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccnn2Cc2ccccc2F)c1F ZINC001176663630 1132978887 /nfs/dbraw/zinc/97/88/87/1132978887.db2.gz JIANXXQJCOIDID-UHFFFAOYSA-N -1 1 337.276 3.937 20 0 EHADMM Cc1cc(C)c(S(C)(=O)=O)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671634 1132979766 /nfs/dbraw/zinc/97/97/66/1132979766.db2.gz KSNMCCMNOCLPPB-UHFFFAOYSA-N -1 1 345.342 3.573 20 0 EHADMM CCOC(=O)c1ccc(OC)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671471 1132979785 /nfs/dbraw/zinc/97/97/85/1132979785.db2.gz ZPXLNOLPDXFCIH-UHFFFAOYSA-N -1 1 341.285 3.738 20 0 EHADMM CN1c2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2C(C)(C)C1=O ZINC001176672893 1132979807 /nfs/dbraw/zinc/97/98/07/1132979807.db2.gz ACVPVTXHXNKNTB-UHFFFAOYSA-N -1 1 336.313 3.807 20 0 EHADMM COC(=O)[C@H](C)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176674846 1132980318 /nfs/dbraw/zinc/98/03/18/1132980318.db2.gz YGWYKKLZMVMGSE-MRVPVSSYSA-N -1 1 325.286 3.830 20 0 EHADMM Nc1c(Cl)ccc(C(=O)NCc2ccc([O-])c(Cl)c2)c1Cl ZINC001176993925 1133020035 /nfs/dbraw/zinc/02/00/35/1133020035.db2.gz JKSMVIABSGTMDU-UHFFFAOYSA-N -1 1 345.613 3.865 20 0 EHADMM Cc1ccc(C)c(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)c1 ZINC000768289408 1133121672 /nfs/dbraw/zinc/12/16/72/1133121672.db2.gz YDQSFCQLFJTGDT-UHFFFAOYSA-N -1 1 344.842 3.625 20 0 EHADMM CC(C)Cc1cc([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[nH]1 ZINC000768861853 1133199193 /nfs/dbraw/zinc/19/91/93/1133199193.db2.gz MOIQSGJWHSOURU-VOTSOKGWSA-N -1 1 339.848 3.674 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc(C2CCC2)cs1 ZINC000769191472 1133233475 /nfs/dbraw/zinc/23/34/75/1133233475.db2.gz BDBNWLRFHQOECC-UHFFFAOYSA-N -1 1 332.429 3.590 20 0 EHADMM COC(=O)c1cc2cc(NC(=O)c3cccc([O-])c3F)ccc2s1 ZINC001179930248 1133300758 /nfs/dbraw/zinc/30/07/58/1133300758.db2.gz BCMNVIXZDIQIEK-UHFFFAOYSA-N -1 1 345.351 3.785 20 0 EHADMM Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000769755273 1133337351 /nfs/dbraw/zinc/33/73/51/1133337351.db2.gz KANSOPVXWPVDMC-AWEZNQCLSA-N -1 1 347.846 3.521 20 0 EHADMM CC(C)[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000769891222 1133364279 /nfs/dbraw/zinc/36/42/79/1133364279.db2.gz XBVBEAPZJYCWAC-OAHLLOKOSA-N -1 1 349.228 3.677 20 0 EHADMM O=C(OC1CCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000771875109 1133605178 /nfs/dbraw/zinc/60/51/78/1133605178.db2.gz OGFCNBRTJKVJAS-UHFFFAOYSA-N -1 1 345.420 3.587 20 0 EHADMM Cc1cccc(CCNC(=O)c2c([O-])cnc3ccc(Cl)cc32)c1 ZINC001182560083 1133700101 /nfs/dbraw/zinc/70/01/01/1133700101.db2.gz QEEWKQPUANSZOF-UHFFFAOYSA-N -1 1 340.810 3.875 20 0 EHADMM Cc1csc(Nc2cccc(NC(=O)c3cncc([O-])c3)c2)n1 ZINC000785932276 1133773942 /nfs/dbraw/zinc/77/39/42/1133773942.db2.gz IKVUOLRCMQBMAT-UHFFFAOYSA-N -1 1 326.381 3.548 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2n[nH]c(C(C)C)c2C)c([O-])c1 ZINC001183763941 1133849528 /nfs/dbraw/zinc/84/95/28/1133849528.db2.gz WSESCWDSPYCSAU-UHFFFAOYSA-N -1 1 331.416 3.978 20 0 EHADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1 ZINC000786881722 1133923370 /nfs/dbraw/zinc/92/33/70/1133923370.db2.gz XXOKEOGEUYPZDE-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM C[C@@H](C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1Cl ZINC001184475102 1133945820 /nfs/dbraw/zinc/94/58/20/1133945820.db2.gz YHJMIUZRZVMHSZ-GFCCVEGCSA-N -1 1 341.798 3.974 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC001184512922 1133955630 /nfs/dbraw/zinc/95/56/30/1133955630.db2.gz XPGHBUPCBVFJSI-ZJUUUORDSA-N -1 1 342.233 3.928 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1=NOC2(C1)CCCCC2 ZINC001184693945 1133975836 /nfs/dbraw/zinc/97/58/36/1133975836.db2.gz KWGFSCIOCJRELP-UHFFFAOYSA-N -1 1 342.317 3.829 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ncc(Cl)cc2F)ccc1Cl ZINC001185494597 1134097748 /nfs/dbraw/zinc/09/77/48/1134097748.db2.gz LPZABBMRODKLPT-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)ccc1Cl ZINC001185529958 1134103724 /nfs/dbraw/zinc/10/37/24/1134103724.db2.gz QDQNOISBTTXGQI-UHFFFAOYSA-N -1 1 334.828 3.941 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C12CCC(F)(CC1)CC2 ZINC001185532233 1134104669 /nfs/dbraw/zinc/10/46/69/1134104669.db2.gz NYXXCZGZIACRHG-UHFFFAOYSA-N -1 1 329.375 3.579 20 0 EHADMM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc4n[nH]cc4c3)c2c1 ZINC001185996862 1134154853 /nfs/dbraw/zinc/15/48/53/1134154853.db2.gz PTBCVQOYCGLFHU-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM COc1ccc2cccc(CCNC(=O)c3ccc([O-])c(F)c3)c2c1 ZINC001186234108 1134184083 /nfs/dbraw/zinc/18/40/83/1134184083.db2.gz QKOKSTDMYHCGHJ-UHFFFAOYSA-N -1 1 339.366 3.666 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001186219180 1134188374 /nfs/dbraw/zinc/18/83/74/1134188374.db2.gz NVUBYMIYORBVLU-HXUWFJFHSA-N -1 1 343.373 3.791 20 0 EHADMM O=C(Nc1ccc(Oc2cc[nH]c(=O)c2)cc1)c1ccc([O-])cc1F ZINC001186328833 1134196077 /nfs/dbraw/zinc/19/60/77/1134196077.db2.gz LWFUPIAGYNYNAR-UHFFFAOYSA-N -1 1 340.310 3.677 20 0 EHADMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccc([O-])cc1F ZINC001186339365 1134204972 /nfs/dbraw/zinc/20/49/72/1134204972.db2.gz FSQYLLYNTNYXPS-FTUNRGFVSA-N -1 1 325.383 3.843 20 0 EHADMM Cc1ccc(-c2nc(C(=O)Nc3nc(Cl)ccc3[O-])cs2)o1 ZINC000789930435 1134345511 /nfs/dbraw/zinc/34/55/11/1134345511.db2.gz LXUYATPFTDHNDH-UHFFFAOYSA-N -1 1 335.772 3.718 20 0 EHADMM C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3n[n-]nc3C(F)(F)F)c21 ZINC001187766174 1134382413 /nfs/dbraw/zinc/38/24/13/1134382413.db2.gz IWEWCNCOGCLAHH-MRVPVSSYSA-N -1 1 338.333 3.861 20 0 EHADMM C[C@H](C(=O)[N-]OCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000746937412 1134448424 /nfs/dbraw/zinc/44/84/24/1134448424.db2.gz SPMAEVYBAKPEOZ-JTQLQIEISA-N -1 1 325.195 3.740 20 0 EHADMM Cc1nc(SCC(=O)c2ccc(CC(C)C)cc2)[n-]c(=O)c1C ZINC001189061276 1134538126 /nfs/dbraw/zinc/53/81/26/1134538126.db2.gz MPKYXDNFIFYLST-UHFFFAOYSA-N -1 1 330.453 3.973 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC(C)C)cc2)c1 ZINC001189234708 1134554981 /nfs/dbraw/zinc/55/49/81/1134554981.db2.gz CCTFAMSWSBXLJJ-UHFFFAOYSA-N -1 1 331.437 3.889 20 0 EHADMM Cc1cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)nc2ccccc12 ZINC001189272732 1134565446 /nfs/dbraw/zinc/56/54/46/1134565446.db2.gz MHWNFROAIKVRAB-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM NC(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1[O-] ZINC001189723498 1134614554 /nfs/dbraw/zinc/61/45/54/1134614554.db2.gz QLPFWNXTBFWILW-UHFFFAOYSA-N -1 1 347.374 3.802 20 0 EHADMM CCc1cccc(CC)c1NC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC001189769067 1134624868 /nfs/dbraw/zinc/62/48/68/1134624868.db2.gz KMCYMPHXPXEZHI-UHFFFAOYSA-N -1 1 342.395 3.948 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2scnc2C(C)(C)C)c1 ZINC000747056732 1134648304 /nfs/dbraw/zinc/64/83/04/1134648304.db2.gz KQIGNSSSKGMETO-UHFFFAOYSA-N -1 1 347.436 3.748 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c(Cl)n1 ZINC001190100506 1134656021 /nfs/dbraw/zinc/65/60/21/1134656021.db2.gz RFQRNKHIDOXVGB-UHFFFAOYSA-N -1 1 346.692 3.720 20 0 EHADMM O=C(Nc1cccc2nsnc21)Nc1cc([O-])c(Cl)cc1F ZINC001190302500 1134676802 /nfs/dbraw/zinc/67/68/02/1134676802.db2.gz GBEPXYWQFFHTEV-UHFFFAOYSA-N -1 1 338.751 3.833 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc(Cl)cn1 ZINC000792449547 1134687786 /nfs/dbraw/zinc/68/77/86/1134687786.db2.gz XECMHUNBRFEGJV-SECBINFHSA-N -1 1 328.721 3.843 20 0 EHADMM Cc1nc(C(F)(F)F)c(C(=O)[N-]c2cc(C(F)(F)F)no2)s1 ZINC001190488899 1134701994 /nfs/dbraw/zinc/70/19/94/1134701994.db2.gz QAGWZZYNVFQFBP-UHFFFAOYSA-N -1 1 345.224 3.729 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2CO)cc1 ZINC001190448602 1134703043 /nfs/dbraw/zinc/70/30/43/1134703043.db2.gz WKURFZPHXPUROY-UHFFFAOYSA-N -1 1 347.480 3.976 20 0 EHADMM COc1cccc(-c2ccc([N-]S(=O)(=O)c3ccncc3)cc2)c1 ZINC001190888114 1134763689 /nfs/dbraw/zinc/76/36/89/1134763689.db2.gz RTPZHRJDVCWLAK-UHFFFAOYSA-N -1 1 340.404 3.558 20 0 EHADMM O=S(=O)([N-]c1ccc(OC2CCCCC2)cc1)c1ccncc1 ZINC001190896102 1134764712 /nfs/dbraw/zinc/76/47/12/1134764712.db2.gz CBFBUJZBVKROEF-UHFFFAOYSA-N -1 1 332.425 3.594 20 0 EHADMM COc1cc(C(=O)N[C@H](CC(C)C)c2ccccn2)cc(Cl)c1[O-] ZINC001191155532 1134804113 /nfs/dbraw/zinc/80/41/13/1134804113.db2.gz JWWSQXQVYWDSML-OAHLLOKOSA-N -1 1 348.830 3.966 20 0 EHADMM COc1cc(C(=O)N2CCCC3(CC(F)C3)CC2)cc(Cl)c1[O-] ZINC001191143554 1134811388 /nfs/dbraw/zinc/81/13/88/1134811388.db2.gz JQGHPSWZGJZYSK-UHFFFAOYSA-N -1 1 341.810 3.799 20 0 EHADMM CCCCc1ccc(S(=O)(=O)Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001191249609 1134823791 /nfs/dbraw/zinc/82/37/91/1134823791.db2.gz XJHUZDJDMCJGAG-UHFFFAOYSA-N -1 1 341.379 3.814 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)NC1CCCCCC1 ZINC001191277040 1134838740 /nfs/dbraw/zinc/83/87/40/1134838740.db2.gz AOJYWNXSPLNXAV-UHFFFAOYSA-N -1 1 327.222 3.999 20 0 EHADMM O=C(Nc1cncc(-c2ccccc2)c1)c1c(F)ccc([O-])c1F ZINC001192523560 1135026422 /nfs/dbraw/zinc/02/64/22/1135026422.db2.gz CKGOLUFPYNXMSJ-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM O=S(=O)(CCc1ccccc1F)[N-][C@H](C(F)F)C1CCCCC1 ZINC001192740688 1135049632 /nfs/dbraw/zinc/04/96/32/1135049632.db2.gz CFTKKGUIBZFSAJ-HNNXBMFYSA-N -1 1 349.418 3.502 20 0 EHADMM O=S(=O)([N-]CC(C1CCC1)C1CCC1)c1ccc(C(F)F)o1 ZINC001192931745 1135079069 /nfs/dbraw/zinc/07/90/69/1135079069.db2.gz CJCZSPVRZCKPIZ-UHFFFAOYSA-N -1 1 333.400 3.712 20 0 EHADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(-c2ccco2)s1 ZINC001129757298 1135151343 /nfs/dbraw/zinc/15/13/43/1135151343.db2.gz CGFZVTVITXJQOQ-UHFFFAOYSA-N -1 1 341.392 3.635 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)OC2CCCC2)c1 ZINC001193556175 1135157884 /nfs/dbraw/zinc/15/78/84/1135157884.db2.gz WEEYHNQIPXOMPL-UHFFFAOYSA-N -1 1 330.178 3.654 20 0 EHADMM O=S(=O)([N-]c1ncccc1F)c1ccc2c(Cl)cccc2c1 ZINC001194216784 1135245150 /nfs/dbraw/zinc/24/51/50/1135245150.db2.gz QZSAFFYNNZYVMS-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1nccn1-c1ccccc1 ZINC000805429241 1135269977 /nfs/dbraw/zinc/26/99/77/1135269977.db2.gz AREAFJQRLGKYJZ-NSHDSACASA-N -1 1 344.317 3.774 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccnc(Cl)c1F ZINC001195276569 1135403774 /nfs/dbraw/zinc/40/37/74/1135403774.db2.gz NLYXQBDXDSZTNS-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]C1(C(F)(F)F)CCCC1 ZINC001195327121 1135406161 /nfs/dbraw/zinc/40/61/61/1135406161.db2.gz WUVYWWXLIWXPDS-UHFFFAOYSA-N -1 1 341.782 3.802 20 0 EHADMM Cc1ccc(CNC(=O)c2cc([O-])cnc2Cl)c2ccccc12 ZINC001195312913 1135411867 /nfs/dbraw/zinc/41/18/67/1135411867.db2.gz MSPOPSZJBTYYFV-UHFFFAOYSA-N -1 1 326.783 3.832 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)ccc1C(F)(F)F ZINC001195486432 1135432128 /nfs/dbraw/zinc/43/21/28/1135432128.db2.gz CLLWBTUXYRXLRF-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1c(Cl)cc(C(C)=O)cc1Cl ZINC001195487309 1135432158 /nfs/dbraw/zinc/43/21/58/1135432158.db2.gz REHSKCLMPQYBCN-UHFFFAOYSA-N -1 1 335.212 3.639 20 0 EHADMM O=C(Nc1cc(Cl)c(O)cc1F)c1cc(F)c(F)c([O-])c1F ZINC000805260052 1135437649 /nfs/dbraw/zinc/43/76/49/1135437649.db2.gz YLUZFBLBFRLMFL-UHFFFAOYSA-N -1 1 335.640 3.560 20 0 EHADMM [O-]c1cc(Cl)cnc1NC(=S)NCc1cccc(Cl)c1 ZINC001195955966 1135500654 /nfs/dbraw/zinc/50/06/54/1135500654.db2.gz UEAHJOWSUCKDMP-UHFFFAOYSA-N -1 1 328.224 3.581 20 0 EHADMM O=S(=O)([N-]c1ccc(CO)cc1)c1ccc2cc(Cl)ccc2c1 ZINC001196435750 1135557083 /nfs/dbraw/zinc/55/70/83/1135557083.db2.gz RMFIAAAPZDNHTI-UHFFFAOYSA-N -1 1 347.823 3.786 20 0 EHADMM CN(CC(F)(F)Br)C(=O)c1ccc2ccccc2c1[O-] ZINC000807866686 1135578690 /nfs/dbraw/zinc/57/86/90/1135578690.db2.gz OTYXHBXCSSLPHW-UHFFFAOYSA-N -1 1 344.155 3.605 20 0 EHADMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1F ZINC000808112780 1135618976 /nfs/dbraw/zinc/61/89/76/1135618976.db2.gz KOXJHAAMIXTKIW-VIFPVBQESA-N -1 1 345.342 3.617 20 0 EHADMM Cc1ccc(O)c([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001197751241 1135734648 /nfs/dbraw/zinc/73/46/48/1135734648.db2.gz ZBAIWLCEYAKQRK-UHFFFAOYSA-N -1 1 346.235 3.949 20 0 EHADMM O=C([N-]c1cccc2nonc21)c1cc(-c2cccc(Cl)c2)no1 ZINC000808801190 1135741765 /nfs/dbraw/zinc/74/17/65/1135741765.db2.gz MCEOHAPHGXALFI-UHFFFAOYSA-N -1 1 340.726 3.784 20 0 EHADMM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1 ZINC001198106257 1135776262 /nfs/dbraw/zinc/77/62/62/1135776262.db2.gz YMHYXDJYGBXDOM-ZDUSSCGKSA-N -1 1 341.436 3.944 20 0 EHADMM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153476 1135779884 /nfs/dbraw/zinc/77/98/84/1135779884.db2.gz OZSNRHPYAXLUOV-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM CCOC(=O)Oc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000809470047 1135839287 /nfs/dbraw/zinc/83/92/87/1135839287.db2.gz TXEZZXPNVSCOFS-UHFFFAOYSA-N -1 1 344.298 3.784 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cccc3c2CCCC3)cccc1N(C)C ZINC000776090766 1135952558 /nfs/dbraw/zinc/95/25/58/1135952558.db2.gz AHWGZTIJBGKEGY-UHFFFAOYSA-N -1 1 344.480 3.741 20 0 EHADMM CN(C)C(=O)c1cccc(OC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000810535638 1135968128 /nfs/dbraw/zinc/96/81/28/1135968128.db2.gz KOGDTYXCORJEBN-UHFFFAOYSA-N -1 1 348.811 3.804 20 0 EHADMM CCNC(=O)c1ccc(OC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000810587135 1135978753 /nfs/dbraw/zinc/97/87/53/1135978753.db2.gz SOWCVMNGWGBZLK-UHFFFAOYSA-N -1 1 348.811 3.852 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=S)Nc2cccc(Cl)c2)c1 ZINC001201104979 1135983960 /nfs/dbraw/zinc/98/39/60/1135983960.db2.gz WLLVBXMISGBFPY-UHFFFAOYSA-N -1 1 336.800 3.641 20 0 EHADMM O=S(=O)([N-]CCC1CCC1)c1cc(Cl)c(Cl)cc1F ZINC001201281117 1136000224 /nfs/dbraw/zinc/00/02/24/1136000224.db2.gz YKSSKJBPXXCGPS-UHFFFAOYSA-N -1 1 326.220 3.601 20 0 EHADMM O=S(=O)([N-][C@@H]1CC12CCCC2)c1cc(Cl)c(Cl)cc1F ZINC001201282455 1136000539 /nfs/dbraw/zinc/00/05/39/1136000539.db2.gz FMGOJYFEZXGMBZ-GFCCVEGCSA-N -1 1 338.231 3.744 20 0 EHADMM O=S(=O)([N-][C@H]1CC12CCCC2)c1cc(Cl)c(Cl)cc1F ZINC001201282456 1136000680 /nfs/dbraw/zinc/00/06/80/1136000680.db2.gz FMGOJYFEZXGMBZ-LBPRGKRZSA-N -1 1 338.231 3.744 20 0 EHADMM COC1([C@H](C)Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CCC1 ZINC000850471543 1136265691 /nfs/dbraw/zinc/26/56/91/1136265691.db2.gz BYUIXTAVJFBJQH-LBPRGKRZSA-N -1 1 344.377 3.543 20 0 EHADMM O=C(OCc1cnoc1C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000773515193 1136322605 /nfs/dbraw/zinc/32/26/05/1136322605.db2.gz HDABVRBFCXXAKJ-UHFFFAOYSA-N -1 1 328.151 3.921 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(F)ccc2Cl)c1 ZINC000814509454 1136463703 /nfs/dbraw/zinc/46/37/03/1136463703.db2.gz LVHORAHNPLJMTO-UHFFFAOYSA-N -1 1 336.746 3.787 20 0 EHADMM COc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1Cl ZINC000814552629 1136474339 /nfs/dbraw/zinc/47/43/39/1136474339.db2.gz WPARQCISQZMPHZ-UHFFFAOYSA-N -1 1 348.782 3.656 20 0 EHADMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111667980 1136570161 /nfs/dbraw/zinc/57/01/61/1136570161.db2.gz XAXLDBLIMISHQV-HZMBPMFUSA-N -1 1 344.798 3.892 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc3cc(C)ccc3n2)c1 ZINC000815395260 1136595282 /nfs/dbraw/zinc/59/52/82/1136595282.db2.gz NWLVNOOQMXQBKO-UHFFFAOYSA-N -1 1 349.386 3.851 20 0 EHADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676949 1136605839 /nfs/dbraw/zinc/60/58/39/1136605839.db2.gz XQWURRWOEHMQTP-ZETCQYMHSA-N -1 1 325.771 3.657 20 0 EHADMM O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1c([O-])cccc1Cl ZINC000855115720 1136668138 /nfs/dbraw/zinc/66/81/38/1136668138.db2.gz WXMPCZSFSGNJHU-KRWDZBQOSA-N -1 1 345.826 3.679 20 0 EHADMM Cc1nc(-c2ccc(CNC(=O)c3ncc(C)cc3[O-])s2)cs1 ZINC001135757199 1136767459 /nfs/dbraw/zinc/76/74/59/1136767459.db2.gz OYBMEDIRZQIEIK-UHFFFAOYSA-N -1 1 345.449 3.519 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC001135903487 1136802664 /nfs/dbraw/zinc/80/26/64/1136802664.db2.gz XDBUQLSNMHSESO-VIFPVBQESA-N -1 1 334.466 3.948 20 0 EHADMM Cc1cc(C)c(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)s1 ZINC001136191006 1136916687 /nfs/dbraw/zinc/91/66/87/1136916687.db2.gz WHOXDOJIEDBREE-UHFFFAOYSA-N -1 1 327.409 3.642 20 0 EHADMM COc1cccc(S([O-])=CC(=O)Oc2ccc(C3CCC3)cc2)c1 ZINC000820638954 1136999157 /nfs/dbraw/zinc/99/91/57/1136999157.db2.gz TZQZEWPAEIGJSF-XMMPIXPASA-N -1 1 344.432 3.676 20 0 EHADMM O=S(=O)([N-]c1ccc2nc(Cl)sc2c1)c1ccc(F)cc1 ZINC000821097802 1137018332 /nfs/dbraw/zinc/01/83/32/1137018332.db2.gz ZAIURRMPHTWDNH-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM O=C(COC(=O)c1ccc([O-])cc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000859623052 1137023340 /nfs/dbraw/zinc/02/33/40/1137023340.db2.gz RCJDBGGDWABEAK-ZJUUUORDSA-N -1 1 348.292 3.626 20 0 EHADMM CSc1ncc(C(=O)N[C@H](CC(C)C)c2ccccc2C)c(=O)[n-]1 ZINC001136769782 1137112052 /nfs/dbraw/zinc/11/20/52/1137112052.db2.gz ZHPMIKUUJUXMOG-OAHLLOKOSA-N -1 1 345.468 3.730 20 0 EHADMM CO[C@H]1CCC[C@H](Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)C1 ZINC000825011429 1137160341 /nfs/dbraw/zinc/16/03/41/1137160341.db2.gz JVQBPTZYNAKEPE-ZFWWWQNUSA-N -1 1 344.377 3.543 20 0 EHADMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000772887157 1137163437 /nfs/dbraw/zinc/16/34/37/1137163437.db2.gz ZMUBRWUJYZRDDR-PIGZYNQJSA-N -1 1 349.814 3.560 20 0 EHADMM Cc1nc(SCc2noc(-c3cccs3)n2)[n-]c(=O)c1C1CC1 ZINC000865373468 1137278291 /nfs/dbraw/zinc/27/82/91/1137278291.db2.gz VWCMGNIQFGTZCY-UHFFFAOYSA-N -1 1 346.437 3.772 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(OCc3ccccc3)CC2)cc1F ZINC001144665430 1137324743 /nfs/dbraw/zinc/32/47/43/1137324743.db2.gz AWBCPEGYAAMWAE-UHFFFAOYSA-N -1 1 333.378 3.852 20 0 EHADMM O=C(NCc1ccnc(Oc2ccccc2)c1)c1cccc([O-])c1F ZINC001144984586 1137375470 /nfs/dbraw/zinc/37/54/70/1137375470.db2.gz DABYCOSYKGLATR-UHFFFAOYSA-N -1 1 338.338 3.649 20 0 EHADMM O=S(=O)([N-][C@H]1CCc2ccc(Cl)cc21)c1ccc(C(F)F)o1 ZINC000867567326 1137381720 /nfs/dbraw/zinc/38/17/20/1137381720.db2.gz UJQYOPHQGKEDQH-NSHDSACASA-N -1 1 347.770 3.836 20 0 EHADMM CCc1cccc2c(CCNC(=O)c3cc(F)ccc3[O-])c[nH]c21 ZINC001146669715 1137393230 /nfs/dbraw/zinc/39/32/30/1137393230.db2.gz YVFCBMOHLHUSGL-UHFFFAOYSA-N -1 1 326.371 3.548 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)c3cccc(C)c3C)cc2)[n-]1 ZINC001148341037 1137422716 /nfs/dbraw/zinc/42/27/16/1137422716.db2.gz VNGWUGKJGUEMMN-MRXNPFEDSA-N -1 1 349.434 3.907 20 0 EHADMM O=S(=O)([N-]c1cc(-n2cccc2)ccc1F)c1ccccc1F ZINC000128941488 1137429496 /nfs/dbraw/zinc/42/94/96/1137429496.db2.gz LSYOJKJOAYVMDR-UHFFFAOYSA-N -1 1 334.347 3.556 20 0 EHADMM O=C(Nc1ncnc2sccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790004 1137433809 /nfs/dbraw/zinc/43/38/09/1137433809.db2.gz CDFWPOIAXWSGFL-UHFFFAOYSA-N -1 1 339.298 3.668 20 0 EHADMM O=C(NCc1cccc2cc[nH]c21)c1ccc(C(F)(F)F)cc1[O-] ZINC001148806189 1137435308 /nfs/dbraw/zinc/43/53/08/1137435308.db2.gz OPKQMWUETWVJTN-UHFFFAOYSA-N -1 1 334.297 3.822 20 0 EHADMM Cc1c(C)c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1O ZINC001148801082 1137435378 /nfs/dbraw/zinc/43/53/78/1137435378.db2.gz QWVVMVAUAYCPOO-UHFFFAOYSA-N -1 1 325.286 3.986 20 0 EHADMM O=C(Nc1[nH]nc2cccnc21)c1cccc(-c2ccccc2)c1[O-] ZINC001148861792 1137436417 /nfs/dbraw/zinc/43/64/17/1137436417.db2.gz YMQZOHCGWGPOBO-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM CO[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])[C@H](C)C1 ZINC001148870080 1137436882 /nfs/dbraw/zinc/43/68/82/1137436882.db2.gz QVOJYWFCKWZCKN-GDBMZVCRSA-N -1 1 325.408 3.699 20 0 EHADMM CCOc1cc(C(=O)NC(C)(C)[C@@H]2CCCCO2)cc(Cl)c1[O-] ZINC000871162518 1137524947 /nfs/dbraw/zinc/52/49/47/1137524947.db2.gz FJGFPBOZEVIUMD-AWEZNQCLSA-N -1 1 341.835 3.522 20 0 EHADMM CCC(CC)(CNC(=O)c1c(F)ccc([O-])c1F)C(F)(F)F ZINC000871264949 1137530389 /nfs/dbraw/zinc/53/03/89/1137530389.db2.gz ZCFZEVHBMPMHPS-UHFFFAOYSA-N -1 1 325.277 3.769 20 0 EHADMM Cc1cccc(C)c1CS(=O)(=O)[N-]c1cnccc1C(F)(F)F ZINC000872010851 1137564491 /nfs/dbraw/zinc/56/44/91/1137564491.db2.gz LOVQIEZBVXHVMD-UHFFFAOYSA-N -1 1 344.358 3.659 20 0 EHADMM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000825607167 1137580927 /nfs/dbraw/zinc/58/09/27/1137580927.db2.gz UVJMUKDEPYFMFB-OAHLLOKOSA-N -1 1 340.452 3.631 20 0 EHADMM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874695259 1137621425 /nfs/dbraw/zinc/62/14/25/1137621425.db2.gz MIAHMNAYADYYGU-UHFFFAOYSA-N -1 1 328.397 3.877 20 0 EHADMM Cc1ccc2[nH]c(CNC(=O)c3ccc(C(F)(F)F)c([O-])c3)nc2c1 ZINC001137104662 1137647336 /nfs/dbraw/zinc/64/73/36/1137647336.db2.gz QDODRZZKLMHITK-UHFFFAOYSA-N -1 1 349.312 3.526 20 0 EHADMM Cc1ccc2nc(CNC(=O)c3ccc(C(F)(F)F)c([O-])c3)[nH]c2c1 ZINC001137104662 1137647337 /nfs/dbraw/zinc/64/73/37/1137647337.db2.gz QDODRZZKLMHITK-UHFFFAOYSA-N -1 1 349.312 3.526 20 0 EHADMM CCCN(C[C@H]1CCCCO1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393733 1137650576 /nfs/dbraw/zinc/65/05/76/1137650576.db2.gz LTVRUIBNAXVMPJ-CQSZACIVSA-N -1 1 340.851 3.536 20 0 EHADMM CCC(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000102635783 1137873621 /nfs/dbraw/zinc/87/36/21/1137873621.db2.gz WBBJQQSAELSZRX-UHFFFAOYSA-N -1 1 346.452 3.862 20 0 EHADMM Cc1cc(Cl)nc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC000800060092 1137895965 /nfs/dbraw/zinc/89/59/65/1137895965.db2.gz GAIQIPIOCFQNAC-UHFFFAOYSA-N -1 1 346.711 3.730 20 0 EHADMM Cc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)cnn1CC(C)C ZINC000885676436 1138017965 /nfs/dbraw/zinc/01/79/65/1138017965.db2.gz OFORZXXPANCEHV-UHFFFAOYSA-N -1 1 325.771 3.598 20 0 EHADMM CC(C)(O)C1CCC(C(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885680108 1138018108 /nfs/dbraw/zinc/01/81/08/1138018108.db2.gz LSECLMHAYHMVTJ-UHFFFAOYSA-N -1 1 329.799 3.701 20 0 EHADMM COc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C2 ZINC000885680767 1138018306 /nfs/dbraw/zinc/01/83/06/1138018306.db2.gz YQYODFBAWOYFGE-GFCCVEGCSA-N -1 1 349.789 3.937 20 0 EHADMM CCOc1cc(C)ccc1NC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000085565263 1138184552 /nfs/dbraw/zinc/18/45/52/1138184552.db2.gz AZVAYOUSGOVICX-UHFFFAOYSA-N -1 1 349.460 3.550 20 0 EHADMM CC(C)Cc1nnc([N-]C(=O)c2cnc(-c3ccco3)s2)s1 ZINC000264070350 1138413983 /nfs/dbraw/zinc/41/39/83/1138413983.db2.gz RNGGVXAVZDUASP-UHFFFAOYSA-N -1 1 334.426 3.705 20 0 EHADMM CCC[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000264800771 1138643468 /nfs/dbraw/zinc/64/34/68/1138643468.db2.gz AHKKKHNWKWMBFB-AWEZNQCLSA-N -1 1 346.452 3.862 20 0 EHADMM C[C@@]1(c2ccccc2)CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000264967750 1138689828 /nfs/dbraw/zinc/68/98/28/1138689828.db2.gz OSNRPNSXTHPGJU-LJQANCHMSA-N -1 1 339.464 3.951 20 0 EHADMM CCN(Cc1ccccn1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338393908 1138886051 /nfs/dbraw/zinc/88/60/51/1138886051.db2.gz BGILSRKQSWQWLJ-UHFFFAOYSA-N -1 1 341.798 3.651 20 0 EHADMM Cc1oc2ncnc([N-]C(=O)c3ncsc3C(F)(F)F)c2c1C ZINC000338411655 1138901357 /nfs/dbraw/zinc/90/13/57/1138901357.db2.gz STRPVFKUTAWFLG-UHFFFAOYSA-N -1 1 342.302 3.567 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](c2ccsc2)O1 ZINC000150866934 1138987877 /nfs/dbraw/zinc/98/78/77/1138987877.db2.gz RYCWLKYCLIZKTD-BMIGLBTASA-N -1 1 337.828 3.709 20 0 EHADMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc([O-])cc1F)CCC2 ZINC000182041447 1139946971 /nfs/dbraw/zinc/94/69/71/1139946971.db2.gz MULJKEUHJKYHLC-CQSZACIVSA-N -1 1 334.416 3.700 20 0 EHADMM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000192690299 1140544656 /nfs/dbraw/zinc/54/46/56/1140544656.db2.gz HFDFENQAVLYXBP-GFCCVEGCSA-N -1 1 336.304 3.719 20 0 EHADMM O=C(CSc1ccccc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339122251 1141503277 /nfs/dbraw/zinc/50/32/77/1141503277.db2.gz CDELQZICCDKQAS-UHFFFAOYSA-N -1 1 325.393 3.513 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c(C)o1 ZINC000349061934 1141631591 /nfs/dbraw/zinc/63/15/91/1141631591.db2.gz YWGAPCBWGSOODD-NSHDSACASA-N -1 1 327.368 3.542 20 0 EHADMM CN(C)Cc1cnc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)s1 ZINC000349103214 1141638981 /nfs/dbraw/zinc/63/89/81/1141638981.db2.gz CDSWPWIACAAKAA-AATRIKPKSA-N -1 1 345.449 3.683 20 0 EHADMM C[C@@H](Cc1cccs1)NC(=O)c1ccc(Br)cc1[O-] ZINC000066044982 215004218 /nfs/dbraw/zinc/00/42/18/215004218.db2.gz GVLUIEYVQZAHKI-VIFPVBQESA-N -1 1 340.242 3.577 20 0 EHADMM CC(C)c1cccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000735932006 598934056 /nfs/dbraw/zinc/93/40/56/598934056.db2.gz JERIVMYOKBEJAN-UHFFFAOYSA-N -1 1 331.383 3.677 20 0 EHADMM CC(C)c1cccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000735932006 598934058 /nfs/dbraw/zinc/93/40/58/598934058.db2.gz JERIVMYOKBEJAN-UHFFFAOYSA-N -1 1 331.383 3.677 20 0 EHADMM Cc1ccc([C@@H](C)Nc2c3ccccc3nnc2-c2nnn[n-]2)c(C)c1 ZINC000737319531 598960071 /nfs/dbraw/zinc/96/00/71/598960071.db2.gz FEVHJDDRPMBRDH-CYBMUJFWSA-N -1 1 345.410 3.600 20 0 EHADMM Cc1ccc([C@@H](C)Nc2c3ccccc3nnc2-c2nn[n-]n2)c(C)c1 ZINC000737319531 598960072 /nfs/dbraw/zinc/96/00/72/598960072.db2.gz FEVHJDDRPMBRDH-CYBMUJFWSA-N -1 1 345.410 3.600 20 0 EHADMM c1ccc(CCCSc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738427445 598969834 /nfs/dbraw/zinc/96/98/34/598969834.db2.gz IBWSCRLDCMEBRC-UHFFFAOYSA-N -1 1 348.435 3.535 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(CSC(F)F)o2)cc1 ZINC000262682466 597137205 /nfs/dbraw/zinc/13/72/05/597137205.db2.gz BTWPSBVYISXGML-UHFFFAOYSA-N -1 1 327.352 3.723 20 0 EHADMM Cc1ccc(C(F)(F)F)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822230765 607311948 /nfs/dbraw/zinc/31/19/48/607311948.db2.gz PVTUMICELAXSTM-UHFFFAOYSA-N -1 1 339.346 3.868 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCCC[C@@H]1Cc1ccccc1 ZINC000738290591 599782841 /nfs/dbraw/zinc/78/28/41/599782841.db2.gz RGDBXDLFZQXCAK-OAHLLOKOSA-N -1 1 347.846 3.598 20 0 EHADMM O=C([O-])[C@H](NCc1cc(F)ccc1Br)c1ccccc1 ZINC000050510796 599786928 /nfs/dbraw/zinc/78/69/28/599786928.db2.gz PEPSOAVVZSWLRR-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683172523 599787979 /nfs/dbraw/zinc/78/79/79/599787979.db2.gz DNMKLKWNHBFJQA-QGZVFWFLSA-N -1 1 335.350 3.668 20 0 EHADMM COc1ccc(-c2nc(CN(C[C@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000516304029 599950145 /nfs/dbraw/zinc/95/01/45/599950145.db2.gz PYKVHBBAVVRLGZ-LBPRGKRZSA-N -1 1 346.452 3.504 20 0 EHADMM Cc1ccccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000320544258 600050989 /nfs/dbraw/zinc/05/09/89/600050989.db2.gz HKMMGOZVHRDTEK-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM CCC[C@](C)(NCC(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000736962416 600153938 /nfs/dbraw/zinc/15/39/38/600153938.db2.gz FNFFGCMIZJTQHY-FQEVSTJZSA-N -1 1 340.423 3.525 20 0 EHADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(Cl)cc1Br ZINC000119810350 600283719 /nfs/dbraw/zinc/28/37/19/600283719.db2.gz DALBMYADOTXVPP-GFCCVEGCSA-N -1 1 332.625 3.542 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1coc(-c3cccc(Cl)c3)n1)CC2 ZINC000405358115 600287436 /nfs/dbraw/zinc/28/74/36/600287436.db2.gz LNLZRPZSPZRTMS-OAHLLOKOSA-N -1 1 346.814 3.682 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000738761768 600418430 /nfs/dbraw/zinc/41/84/30/600418430.db2.gz URIZSOJVQMUNLQ-GXTWGEPZSA-N -1 1 347.846 3.687 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccccc1F ZINC000833164495 600738651 /nfs/dbraw/zinc/73/86/51/600738651.db2.gz ADUXLTIMWZCVQA-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC3(C2)CCCCC3)c(C)c1C(=O)[O-] ZINC000738237560 600976555 /nfs/dbraw/zinc/97/65/55/600976555.db2.gz VTJDQPLQJCGXMT-AWEZNQCLSA-N -1 1 332.444 3.557 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(Cl)nc1)c1ccccc1C(F)(F)F ZINC000833167119 600999236 /nfs/dbraw/zinc/99/92/36/600999236.db2.gz XYQZRBYTSFUXOW-CYBMUJFWSA-N -1 1 344.720 3.669 20 0 EHADMM COc1ccc(OC)c([C@@H](C)NCc2cc(C(=O)[O-])sc2C)c1 ZINC000832431989 601615477 /nfs/dbraw/zinc/61/54/77/601615477.db2.gz WZWDHHIEHAQZFW-SNVBAGLBSA-N -1 1 335.425 3.623 20 0 EHADMM COc1ccccc1[C@@H]1CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000569989719 601628283 /nfs/dbraw/zinc/62/82/83/601628283.db2.gz RUMOGHZBBRAZOO-KRWDZBQOSA-N -1 1 329.371 3.870 20 0 EHADMM CC(C)(NC(=O)[O-])C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000826627188 601683388 /nfs/dbraw/zinc/68/33/88/601683388.db2.gz HRQYNBGCDXSGKA-UHFFFAOYSA-N -1 1 344.415 3.595 20 0 EHADMM O=C([O-])c1sccc1CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000576761681 601821518 /nfs/dbraw/zinc/82/15/18/601821518.db2.gz SXSMPFHWDODJOX-AWEZNQCLSA-N -1 1 345.420 3.555 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccsc1C(=O)[O-] ZINC000828508570 601825457 /nfs/dbraw/zinc/82/54/57/601825457.db2.gz FXCVNARSHTYMOS-XJKCOSOUSA-N -1 1 331.437 3.797 20 0 EHADMM Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000662219249 601841853 /nfs/dbraw/zinc/84/18/53/601841853.db2.gz PEBRITUCSFJPTA-MRXNPFEDSA-N -1 1 346.471 3.516 20 0 EHADMM O=C([O-])CCC1CCN(Cc2cc(Br)cs2)CC1 ZINC000050926613 601842059 /nfs/dbraw/zinc/84/20/59/601842059.db2.gz FVWPOIASHPOTKD-UHFFFAOYSA-N -1 1 332.263 3.587 20 0 EHADMM Fc1cccc(Cl)c1CCSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826377630 607536252 /nfs/dbraw/zinc/53/62/52/607536252.db2.gz ZLBLCPGVALQJSG-UHFFFAOYSA-N -1 1 349.822 3.530 20 0 EHADMM Fc1cccc(Cl)c1CCSCc1ccnc(-c2nn[n-]n2)c1 ZINC000826377630 607536254 /nfs/dbraw/zinc/53/62/54/607536254.db2.gz ZLBLCPGVALQJSG-UHFFFAOYSA-N -1 1 349.822 3.530 20 0 EHADMM O=C([O-])CCCCCCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000833225090 602052260 /nfs/dbraw/zinc/05/22/60/602052260.db2.gz HYLQKGXVDQEAPC-UHFFFAOYSA-N -1 1 348.226 3.854 20 0 EHADMM COc1ccc(CN(Cc2occc2C(=O)[O-])C(C)(C)C)c(OC)c1 ZINC000832315282 602326123 /nfs/dbraw/zinc/32/61/23/602326123.db2.gz XGHQYDXPGYWEQO-UHFFFAOYSA-N -1 1 347.411 3.796 20 0 EHADMM C[C@H](NC(=O)[O-])C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000739015764 602445058 /nfs/dbraw/zinc/44/50/58/602445058.db2.gz QSASHQWNBROBDN-NSHDSACASA-N -1 1 330.350 3.574 20 0 EHADMM CC(C)C[C@H](CNC(=O)[O-])NCc1csc(-c2ccsc2)n1 ZINC000738809469 602571152 /nfs/dbraw/zinc/57/11/52/602571152.db2.gz GCVWYZKCOVWPHS-GFCCVEGCSA-N -1 1 339.486 3.644 20 0 EHADMM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c(Cl)c1 ZINC000740147202 602646464 /nfs/dbraw/zinc/64/64/64/602646464.db2.gz KEZJSUZFZRHIPE-UHFFFAOYSA-N -1 1 340.788 3.539 20 0 EHADMM CCOc1ccccc1[C@H](CC)NCc1ccc(NC(=O)[O-])nc1 ZINC000827459716 603547452 /nfs/dbraw/zinc/54/74/52/603547452.db2.gz KJDBQEPZSULVIX-HNNXBMFYSA-N -1 1 329.400 3.811 20 0 EHADMM CN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCN(C(=O)[O-])CC1 ZINC000828410741 603985267 /nfs/dbraw/zinc/98/52/67/603985267.db2.gz JYAIVKDDPKCQEG-UHFFFAOYSA-N -1 1 349.818 3.569 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccccc1 ZINC000833407723 604561785 /nfs/dbraw/zinc/56/17/85/604561785.db2.gz NWYYIRRWUYLFOS-KSSFIOAISA-N -1 1 342.439 3.811 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccccc1 ZINC000833407717 604562038 /nfs/dbraw/zinc/56/20/38/604562038.db2.gz NWYYIRRWUYLFOS-KBXCAEBGSA-N -1 1 342.439 3.811 20 0 EHADMM CSC[C@H]1CCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000567596077 604676734 /nfs/dbraw/zinc/67/67/34/604676734.db2.gz WFZIGIVILSSWJW-OAHLLOKOSA-N -1 1 348.493 3.836 20 0 EHADMM CC(C)N(CCC(=O)[O-])C(=O)c1cc(Cl)c2ccccc2c1O ZINC000833497276 604711454 /nfs/dbraw/zinc/71/14/54/604711454.db2.gz ZPSITSHFTCJQGL-UHFFFAOYSA-N -1 1 335.787 3.524 20 0 EHADMM CN(Cc1cc(Cl)cc(Cl)c1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000833694523 604865140 /nfs/dbraw/zinc/86/51/40/604865140.db2.gz KVRIKSOAYKCFRZ-CQSZACIVSA-N -1 1 325.195 3.646 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1OCc1ccccc1)c1cccnc1 ZINC000833169044 604995919 /nfs/dbraw/zinc/99/59/19/604995919.db2.gz CUJCEZUCBZWLFG-FQEVSTJZSA-N -1 1 348.402 3.576 20 0 EHADMM O=C([O-])[C@H](Nc1ccc(N2CCCCCC2)cc1)c1cccnc1 ZINC000833168892 605000150 /nfs/dbraw/zinc/00/01/50/605000150.db2.gz GCGOSPIFJCPHPJ-GOSISDBHSA-N -1 1 325.412 3.700 20 0 EHADMM C[C@H](Oc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1)C(=O)[O-] ZINC000833543234 605079509 /nfs/dbraw/zinc/07/95/09/605079509.db2.gz YDQDOQXICRPHDQ-GDZNZVCISA-N -1 1 329.396 3.545 20 0 EHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc2c(c1)OCCO2 ZINC000833643646 605097616 /nfs/dbraw/zinc/09/76/16/605097616.db2.gz CXLCDBFPWXSWAK-MRXNPFEDSA-N -1 1 345.370 3.536 20 0 EHADMM C[C@H](Oc1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000833540547 605115617 /nfs/dbraw/zinc/11/56/17/605115617.db2.gz MJDYTSCAVFFHRI-RYUDHWBXSA-N -1 1 335.350 3.668 20 0 EHADMM CC1(C)CN(Cc2ccc(OCC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000833561723 605294828 /nfs/dbraw/zinc/29/48/28/605294828.db2.gz RCWHORFNJWUDGA-IBGZPJMESA-N -1 1 325.408 3.733 20 0 EHADMM O=C([O-])N[C@H]1C[C@H](NCc2ccc3ccccc3n2)c2ccccc21 ZINC000834156762 605794442 /nfs/dbraw/zinc/79/44/42/605794442.db2.gz CKPRKBYBTRLQHY-OALUTQOASA-N -1 1 333.391 3.778 20 0 EHADMM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CSc3ccccc32)c2ccccc21 ZINC000834160243 605800674 /nfs/dbraw/zinc/80/06/74/605800674.db2.gz SZOPCKUPGTZNTG-BZUAXINKSA-N -1 1 326.421 3.877 20 0 EHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)c(Cl)c1 ZINC000820461484 606439782 /nfs/dbraw/zinc/43/97/82/606439782.db2.gz KVOCLBWIMZENFX-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000820461484 606439783 /nfs/dbraw/zinc/43/97/83/606439783.db2.gz KVOCLBWIMZENFX-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM Clc1cccc(CSc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822585634 606460773 /nfs/dbraw/zinc/46/07/73/606460773.db2.gz IBCVSUNEONFGKI-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM Clc1cccc(CSc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822585634 606460774 /nfs/dbraw/zinc/46/07/74/606460774.db2.gz IBCVSUNEONFGKI-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820937705 606504685 /nfs/dbraw/zinc/50/46/85/606504685.db2.gz CDRHWEOGJFMLPY-CYBMUJFWSA-N -1 1 341.440 3.542 20 0 EHADMM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820937705 606504687 /nfs/dbraw/zinc/50/46/87/606504687.db2.gz CDRHWEOGJFMLPY-CYBMUJFWSA-N -1 1 341.440 3.542 20 0 EHADMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1F ZINC000822228822 606733335 /nfs/dbraw/zinc/73/33/35/606733335.db2.gz GHEDRLCQMNHLQO-VIFPVBQESA-N -1 1 332.770 3.536 20 0 EHADMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1F ZINC000822228822 606733337 /nfs/dbraw/zinc/73/33/37/606733337.db2.gz GHEDRLCQMNHLQO-VIFPVBQESA-N -1 1 332.770 3.536 20 0 EHADMM COc1cccc([C@@H](C)Sc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000821858847 606877991 /nfs/dbraw/zinc/87/79/91/606877991.db2.gz HKSYVXZSSAPLNK-SNVBAGLBSA-N -1 1 330.388 3.868 20 0 EHADMM CC(C)c1nc2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2s1 ZINC000824364935 607896990 /nfs/dbraw/zinc/89/69/90/607896990.db2.gz WGCIZJSMKAIMTM-UHFFFAOYSA-N -1 1 337.412 3.738 20 0 EHADMM CC(C)c1nc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2s1 ZINC000824364935 607896991 /nfs/dbraw/zinc/89/69/91/607896991.db2.gz WGCIZJSMKAIMTM-UHFFFAOYSA-N -1 1 337.412 3.738 20 0 EHADMM CCCC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC000825266902 607898930 /nfs/dbraw/zinc/89/89/30/607898930.db2.gz IISUNDDRMKBRNR-HNNXBMFYSA-N -1 1 338.415 3.614 20 0 EHADMM CCCC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC000825266902 607898931 /nfs/dbraw/zinc/89/89/31/607898931.db2.gz IISUNDDRMKBRNR-HNNXBMFYSA-N -1 1 338.415 3.614 20 0 EHADMM Cc1cc(C)cc(CSc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826264717 608189514 /nfs/dbraw/zinc/18/95/14/608189514.db2.gz XXNADMZJNFSIAT-UHFFFAOYSA-N -1 1 337.861 3.886 20 0 EHADMM Cc1cc(C)cc(CSc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826264717 608189516 /nfs/dbraw/zinc/18/95/16/608189516.db2.gz XXNADMZJNFSIAT-UHFFFAOYSA-N -1 1 337.861 3.886 20 0 EHADMM CC(C)c1ccccc1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001574421799 948821405 /nfs/dbraw/zinc/82/14/05/948821405.db2.gz PSPJMZTWQLPBRF-UHFFFAOYSA-N -1 1 343.337 3.521 20 0 EHADMM CC(C)c1ccccc1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001574421799 948821422 /nfs/dbraw/zinc/82/14/22/948821422.db2.gz PSPJMZTWQLPBRF-UHFFFAOYSA-N -1 1 343.337 3.521 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2Br)C1 ZINC000263021028 950218514 /nfs/dbraw/zinc/21/85/14/950218514.db2.gz DZYVDZYDSIUWTJ-KOLCDFICSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2Br)C1 ZINC000263021026 950218459 /nfs/dbraw/zinc/21/84/59/950218459.db2.gz DZYVDZYDSIUWTJ-GXSJLCMTSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC001589280288 953495000 /nfs/dbraw/zinc/49/50/00/953495000.db2.gz CBTUTOJVABOPSC-WCBMZHEXSA-N -1 1 337.288 3.526 20 0 EHADMM COC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000903685287 956866469 /nfs/dbraw/zinc/86/64/69/956866469.db2.gz QEICWCJFDUQQAS-CYBMUJFWSA-N -1 1 325.817 3.577 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(F)ccc2OC(F)F)C1 ZINC000923471686 957121404 /nfs/dbraw/zinc/12/14/04/957121404.db2.gz YIQYOBJPQYXXCM-INIZCTEOSA-N -1 1 331.334 3.504 20 0 EHADMM C[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC(C)(C)O1 ZINC000390675012 972297634 /nfs/dbraw/zinc/29/76/34/972297634.db2.gz TWSXDSHUWTWQGL-JTQLQIEISA-N -1 1 337.416 3.738 20 0 EHADMM Cc1ccc(F)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1F ZINC001550348779 958293469 /nfs/dbraw/zinc/29/34/69/958293469.db2.gz FTINDDKVAAKCJX-LSDHHAIUSA-N -1 1 331.362 3.573 20 0 EHADMM Cc1cscc1CNCc1ccc(C(=O)[O-])cc1Br ZINC000235816431 960501464 /nfs/dbraw/zinc/50/14/64/960501464.db2.gz AVRZTKJCQVAFAS-UHFFFAOYSA-N -1 1 340.242 3.807 20 0 EHADMM O=C([O-])COc1ccccc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC001231788646 960617464 /nfs/dbraw/zinc/61/74/64/960617464.db2.gz DVPCVGHQQFWGKG-KRWDZBQOSA-N -1 1 329.371 3.626 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(Cl)nc32)c2ccccc21 ZINC001605983080 973018018 /nfs/dbraw/zinc/01/80/18/973018018.db2.gz GAGABOQLIUBGJM-RBSFLKMASA-N -1 1 328.799 3.625 20 0 EHADMM O=C([O-])[C@H](NCc1cc(Br)ccc1F)c1ccsc1 ZINC000426837054 974050378 /nfs/dbraw/zinc/05/03/78/974050378.db2.gz WFCMJNYYQNEBBQ-GFCCVEGCSA-N -1 1 344.205 3.565 20 0 EHADMM Cc1oc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1C(=O)[O-] ZINC000565104793 974571019 /nfs/dbraw/zinc/57/10/19/974571019.db2.gz GDZYPCLVRYJLAG-CYBMUJFWSA-N -1 1 331.334 3.841 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccc(C)nc1)CC1CC1 ZINC000652432844 975530221 /nfs/dbraw/zinc/53/02/21/975530221.db2.gz DXQHWUZJAFYTSK-UHFFFAOYSA-N -1 1 328.412 3.656 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc(C)c1F ZINC000460835975 1032090163 /nfs/dbraw/zinc/09/01/63/1032090163.db2.gz IPYJHNAFJQCPPQ-UHFFFAOYSA-N -1 1 333.306 3.661 20 0 EHADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)c(O)c1 ZINC001591771717 975898102 /nfs/dbraw/zinc/89/81/02/975898102.db2.gz BDVUNOOJSDTMNL-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM O=C([O-])c1cccc(CNCc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000683176691 976079268 /nfs/dbraw/zinc/07/92/68/976079268.db2.gz OEQCSGUHDRVTEC-UHFFFAOYSA-N -1 1 341.798 3.514 20 0 EHADMM C[C@](CC(=O)[O-])(NCc1cccc(Cl)c1Cl)c1cccnc1 ZINC001592328325 977746296 /nfs/dbraw/zinc/74/62/96/977746296.db2.gz KTWSKNGIRRAMBY-MRXNPFEDSA-N -1 1 339.222 3.868 20 0 EHADMM COc1cccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1F ZINC001625783586 1014503006 /nfs/dbraw/zinc/50/30/06/1014503006.db2.gz WTDNREWOSUMDJG-UHFFFAOYSA-N -1 1 327.311 3.651 20 0 EHADMM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccccc1CC(=O)[O-] ZINC000846242467 979420029 /nfs/dbraw/zinc/42/00/29/979420029.db2.gz ZKRPSCWQYYBYFA-LJQANCHMSA-N -1 1 349.434 3.538 20 0 EHADMM CCc1oc(CN2CCC[C@H]2c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000901415335 980260866 /nfs/dbraw/zinc/26/08/66/980260866.db2.gz HVPZGENTPUUYGT-KRWDZBQOSA-N -1 1 329.396 3.886 20 0 EHADMM CC[C@H](NCc1cccc(C(=O)[O-])c1Cl)c1c(C)nn(C)c1C ZINC001595300427 980434057 /nfs/dbraw/zinc/43/40/57/980434057.db2.gz PYYKXLOPCVORAD-AWEZNQCLSA-N -1 1 335.835 3.629 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(Cl)cc1F ZINC000471129877 1014657737 /nfs/dbraw/zinc/65/77/37/1014657737.db2.gz FFXDUFMIPITMAU-UHFFFAOYSA-N -1 1 341.791 3.523 20 0 EHADMM Cc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)oc1C(=O)[O-] ZINC000902080817 980723756 /nfs/dbraw/zinc/72/37/56/980723756.db2.gz WPQCZTBZLBVAKY-QGZVFWFLSA-N -1 1 345.395 3.544 20 0 EHADMM Cc1[nH]c2c(cc(C)cc2CNCc2cc(C(=O)[O-])c(C)o2)c1C ZINC000902184326 980772585 /nfs/dbraw/zinc/77/25/85/980772585.db2.gz HIOGDMHAYAXJNY-UHFFFAOYSA-N -1 1 326.396 3.983 20 0 EHADMM CCc1oc(CNC[C@@H](OC)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902314105 980829330 /nfs/dbraw/zinc/82/93/30/980829330.db2.gz WRWRLVUSOOEGFX-MRXNPFEDSA-N -1 1 337.803 3.671 20 0 EHADMM CC[C@H](C)c1nc(C)c(CC(=O)Nc2c([O-])cccc2F)c(C)n1 ZINC000654966272 1014688936 /nfs/dbraw/zinc/68/89/36/1014688936.db2.gz QUTPXNCVAHYQTE-JTQLQIEISA-N -1 1 331.391 3.633 20 0 EHADMM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1cc(Cl)cc2c1OCC2 ZINC000905769052 981146771 /nfs/dbraw/zinc/14/67/71/981146771.db2.gz AKAAMXWQYXOUMD-SECBINFHSA-N -1 1 337.828 3.885 20 0 EHADMM CCCC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(OC)cc1 ZINC001595638311 981943326 /nfs/dbraw/zinc/94/33/26/981943326.db2.gz OADIWJMGJVGKLM-GOSISDBHSA-N -1 1 328.412 3.810 20 0 EHADMM CCCCOc1cccc(CNCc2ccc(C(=O)[O-])cc2F)c1 ZINC001595780815 982554192 /nfs/dbraw/zinc/55/41/92/982554192.db2.gz OVRYSSORFMDWJX-UHFFFAOYSA-N -1 1 331.387 3.993 20 0 EHADMM CCCc1nc(C)cc(OCc2csc(C3CC3)n2)c1C(=O)[O-] ZINC001596089026 983410164 /nfs/dbraw/zinc/41/01/64/983410164.db2.gz ADLBTDXXDHGDIC-UHFFFAOYSA-N -1 1 332.425 3.954 20 0 EHADMM Cc1[nH]c(C(=O)CN(Cc2ccccc2)C(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945262 985515088 /nfs/dbraw/zinc/51/50/88/985515088.db2.gz SUHVOUCWKWQTMY-UHFFFAOYSA-N -1 1 342.439 3.813 20 0 EHADMM C[C@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC2(CCC2)O1 ZINC001594537674 986162514 /nfs/dbraw/zinc/16/25/14/986162514.db2.gz XEBZTKWIPLUXHD-AWEZNQCLSA-N -1 1 341.407 3.788 20 0 EHADMM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 ZINC001597465023 987901242 /nfs/dbraw/zinc/90/12/42/987901242.db2.gz OTPZNKKQCNEIRT-UHFFFAOYSA-N -1 1 349.390 3.898 20 0 EHADMM CSCC[C@H](C)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC001599795410 988089072 /nfs/dbraw/zinc/08/90/72/988089072.db2.gz OZAOKZMYTMAYQS-JTQLQIEISA-N -1 1 346.290 3.721 20 0 EHADMM CC(C)(C)C[C@@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)[O-] ZINC001589761765 988091399 /nfs/dbraw/zinc/09/13/99/988091399.db2.gz KGMIVVULAQVMHO-LLVKDONJSA-N -1 1 341.383 3.731 20 0 EHADMM CSc1cccc(F)c1CNCc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001599821562 988522877 /nfs/dbraw/zinc/52/28/77/988522877.db2.gz CRSMYURVZHNCDR-UHFFFAOYSA-N -1 1 334.416 3.741 20 0 EHADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000109245470 1015531661 /nfs/dbraw/zinc/53/16/61/1015531661.db2.gz CWMUBRXCQDSLKJ-UHFFFAOYSA-N -1 1 329.393 3.629 20 0 EHADMM Cc1[nH]nc(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c1[O-] ZINC000683259553 1015578373 /nfs/dbraw/zinc/57/83/73/1015578373.db2.gz ZQYSTLDZNWRECG-UHFFFAOYSA-N -1 1 327.306 3.516 20 0 EHADMM COc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001599712949 991403398 /nfs/dbraw/zinc/40/33/98/991403398.db2.gz QBDNXAHTPIEVBN-HNNXBMFYSA-N -1 1 339.313 3.630 20 0 EHADMM COc1nc(C)cc(C)c1CN(C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599729862 991694401 /nfs/dbraw/zinc/69/44/01/991694401.db2.gz XLVXWFYWMUBDRA-MRXNPFEDSA-N -1 1 348.830 3.618 20 0 EHADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000107176150 1033650204 /nfs/dbraw/zinc/65/02/04/1033650204.db2.gz IYJTVHUWKNGYDM-UHFFFAOYSA-N -1 1 346.235 3.595 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000339877242 1015803859 /nfs/dbraw/zinc/80/38/59/1015803859.db2.gz HVYPZOGQUYXRCE-UHFFFAOYSA-N -1 1 337.206 3.899 20 0 EHADMM C[C@H](N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC001593197448 994164046 /nfs/dbraw/zinc/16/40/46/994164046.db2.gz KDGQQLVIRNWXKP-OFQRWUPVSA-N -1 1 344.455 3.955 20 0 EHADMM C[C@H](NCc1ccc(C(F)(F)F)s1)c1cncc(C(=O)[O-])c1 ZINC001593295404 994691009 /nfs/dbraw/zinc/69/10/09/994691009.db2.gz DUHAENVNIJLHBI-QMMMGPOBSA-N -1 1 330.331 3.711 20 0 EHADMM C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(C(C)(C)O)cc1 ZINC001593299069 994719729 /nfs/dbraw/zinc/71/97/29/994719729.db2.gz QDMGURUTBHKMTO-LLVKDONJSA-N -1 1 348.830 3.511 20 0 EHADMM C[C@@](NCc1cccc(F)c1OC(F)F)(C(=O)[O-])c1ccccc1 ZINC001593303384 994734109 /nfs/dbraw/zinc/73/41/09/994734109.db2.gz CCCWWYNVUFASFY-KRWDZBQOSA-N -1 1 339.313 3.517 20 0 EHADMM COc1cccc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1F ZINC001599674726 994878371 /nfs/dbraw/zinc/87/83/71/994878371.db2.gz YCOIJVWWPJPSRR-LJQANCHMSA-N -1 1 339.366 3.903 20 0 EHADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001593732801 996315924 /nfs/dbraw/zinc/31/59/24/996315924.db2.gz ZPHCGESVIVCYMD-DGCLKSJQSA-N -1 1 334.416 3.606 20 0 EHADMM CC1(C)CCC[C@](NCc2cc(-c3ccccc3)no2)(C(=O)[O-])C1 ZINC001593894617 996747621 /nfs/dbraw/zinc/74/76/21/996747621.db2.gz FFEVZVFUZONOKP-LJQANCHMSA-N -1 1 328.412 3.855 20 0 EHADMM CSc1ccc([C@@H](CN=c2nc(C(C)C)[n-]s2)N(C)C)cc1 ZINC000559001632 1032138526 /nfs/dbraw/zinc/13/85/26/1032138526.db2.gz NVENDVTTYNOXBW-CQSZACIVSA-N -1 1 336.530 3.520 20 0 EHADMM CCc1nnc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)s1 ZINC000339971531 1016087732 /nfs/dbraw/zinc/08/77/32/1016087732.db2.gz ZSCMBSDPIOXODT-UHFFFAOYSA-N -1 1 334.788 3.661 20 0 EHADMM CO[C@]1(C)CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001599087153 997119691 /nfs/dbraw/zinc/11/96/91/997119691.db2.gz FYBHPIVCHHQJNL-GOSISDBHSA-N -1 1 346.452 3.509 20 0 EHADMM COc1ccc(C(C)C)cc1CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001599506884 997225274 /nfs/dbraw/zinc/22/52/74/997225274.db2.gz NOFIWTNLIKCFHR-HXUWFJFHSA-N -1 1 342.439 3.693 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000340077646 1016221698 /nfs/dbraw/zinc/22/16/98/1016221698.db2.gz ZQSVWLSNZTXBDG-UHFFFAOYSA-N -1 1 339.420 3.561 20 0 EHADMM COC(=O)c1cccc([C@@H](N[C@@H](C)c2ccccc2Cl)C(=O)[O-])c1 ZINC001598997373 998792485 /nfs/dbraw/zinc/79/24/85/998792485.db2.gz ZPIFLZDDEOIICF-MEDUHNTESA-N -1 1 347.798 3.603 20 0 EHADMM Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182870572 1032146539 /nfs/dbraw/zinc/14/65/39/1032146539.db2.gz MTLXZEQVPLXBGL-UHFFFAOYSA-N -1 1 329.743 3.656 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Br)cc1F ZINC000605438285 1034734744 /nfs/dbraw/zinc/73/47/44/1034734744.db2.gz DONIBLSLRWONOI-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1nccs1 ZINC000180574344 1016906492 /nfs/dbraw/zinc/90/64/92/1016906492.db2.gz CRGDUXVINFXKMN-SNVBAGLBSA-N -1 1 330.331 3.749 20 0 EHADMM CCOc1ccc2nc(NC(=O)c3ccc([O-])cc3F)sc2c1 ZINC000181076319 1016914291 /nfs/dbraw/zinc/91/42/91/1016914291.db2.gz YVYXDPVGDAOOGB-UHFFFAOYSA-N -1 1 332.356 3.792 20 0 EHADMM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)c1 ZINC000181225743 1016917241 /nfs/dbraw/zinc/91/72/41/1016917241.db2.gz BXWYUUKYNGHSRE-SFHVURJKSA-N -1 1 328.387 3.575 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cnn(-c2ccc(Cl)cc2)c1 ZINC000340327931 1016949898 /nfs/dbraw/zinc/94/98/98/1016949898.db2.gz GXEKAPMJGTUXKA-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM COc1ccc(-c2cncc(C(=O)Nc3ccc(F)cc3[O-])c2)cc1 ZINC000340328139 1016950024 /nfs/dbraw/zinc/95/00/24/1016950024.db2.gz NWRLXBHQSLQEGX-UHFFFAOYSA-N -1 1 338.338 3.854 20 0 EHADMM CSc1nccn1-c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340328831 1016953773 /nfs/dbraw/zinc/95/37/73/1016953773.db2.gz DFXYPSNGEPFADR-UHFFFAOYSA-N -1 1 343.383 3.691 20 0 EHADMM CSc1nsc([N-]C(=O)c2scnc2C2CCCC2)n1 ZINC000185160802 1032356244 /nfs/dbraw/zinc/35/62/44/1032356244.db2.gz FWBCEUAVGYVLHQ-UHFFFAOYSA-N -1 1 326.472 3.626 20 0 EHADMM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1cc(F)ccc1[O-] ZINC001143491234 1017594863 /nfs/dbraw/zinc/59/48/63/1017594863.db2.gz GVEZCHJZSDPQER-UHFFFAOYSA-N -1 1 349.774 3.956 20 0 EHADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000221098728 1017701791 /nfs/dbraw/zinc/70/17/91/1017701791.db2.gz AXVODSGGOZWBRY-GXFFZTMASA-N -1 1 326.234 3.805 20 0 EHADMM CCC(CC)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1cccs1 ZINC000340445725 1017857400 /nfs/dbraw/zinc/85/74/00/1017857400.db2.gz ZAKYOUNPMCIZEQ-AWEZNQCLSA-N -1 1 342.486 3.809 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3cc[nH]c3C3CCC3)[nH][n-]2)s1 ZINC000579971926 1017905875 /nfs/dbraw/zinc/90/58/75/1017905875.db2.gz VRCJBCCYOBRYPW-UHFFFAOYSA-N -1 1 326.425 3.716 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC=C(c2ccccn2)C1 ZINC000580227875 1018832329 /nfs/dbraw/zinc/83/23/29/1018832329.db2.gz UKMLGOZZVABFOU-UHFFFAOYSA-N -1 1 330.387 3.870 20 0 EHADMM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000340630470 1019005037 /nfs/dbraw/zinc/00/50/37/1019005037.db2.gz VIGNKORSTVPELX-SNVBAGLBSA-N -1 1 333.771 3.559 20 0 EHADMM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1cnc(-c2ccco2)s1 ZINC000728960871 1019125177 /nfs/dbraw/zinc/12/51/77/1019125177.db2.gz OLBRIYAJMYYOFN-UHFFFAOYSA-N -1 1 343.393 3.502 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCCCOc2ccccc2)[n-]1 ZINC000261408381 1019363829 /nfs/dbraw/zinc/36/38/29/1019363829.db2.gz QUEGCTDXKCIYEJ-UHFFFAOYSA-N -1 1 330.331 3.762 20 0 EHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)c(Br)c2)C1 ZINC000263055821 1019429067 /nfs/dbraw/zinc/42/90/67/1019429067.db2.gz LOTYXGGLEYMKGM-ONGXEEELSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@H]1CCCN(Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000263409782 1019577576 /nfs/dbraw/zinc/57/75/76/1019577576.db2.gz LAHONVWDKNLNCS-ZDUSSCGKSA-N -1 1 337.847 3.958 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1CCCc2sccc21 ZINC000433979049 1019838441 /nfs/dbraw/zinc/83/84/41/1019838441.db2.gz APAVNXWOLFWIGF-NSHDSACASA-N -1 1 329.450 3.680 20 0 EHADMM Cc1cccc(C2=CCN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC2)c1C ZINC000891341797 1020220841 /nfs/dbraw/zinc/22/08/41/1020220841.db2.gz DJMSESHVFBIWRO-UHFFFAOYSA-N -1 1 349.434 3.606 20 0 EHADMM CCc1ccc(C(=O)N(CC)c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000276036234 1020472999 /nfs/dbraw/zinc/47/29/99/1020472999.db2.gz FJRYCVMCMFSAQS-UHFFFAOYSA-N -1 1 329.396 3.639 20 0 EHADMM CCc1cc2c(CNc3cn(C)nc3C(C)C)cc(=O)oc2cc1[O-] ZINC000280663058 1020555222 /nfs/dbraw/zinc/55/52/22/1020555222.db2.gz BHWBWMVCZSXZII-UHFFFAOYSA-N -1 1 341.411 3.530 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C)c1C ZINC000581450759 1020934487 /nfs/dbraw/zinc/93/44/87/1020934487.db2.gz XWRCVLVQUHVTLV-UHFFFAOYSA-N -1 1 341.379 3.699 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000137437762 1032945259 /nfs/dbraw/zinc/94/52/59/1032945259.db2.gz CWYBKRVHHHIIST-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM CC(C)CN(CCC(=O)[O-])Cc1csc(CCc2ccccc2)n1 ZINC000581494213 1021016108 /nfs/dbraw/zinc/01/61/08/1021016108.db2.gz BLARYIBUIGCRLC-UHFFFAOYSA-N -1 1 346.496 3.861 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000656636154 1021065142 /nfs/dbraw/zinc/06/51/42/1021065142.db2.gz VGFPOJDXFWRVSQ-UHFFFAOYSA-N -1 1 337.828 3.522 20 0 EHADMM O=C(NCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1[O-] ZINC000518472059 1021217531 /nfs/dbraw/zinc/21/75/31/1021217531.db2.gz KTRXTACPALLYRR-UHFFFAOYSA-N -1 1 328.755 3.631 20 0 EHADMM CCc1ccc(CN(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000436769561 1021219427 /nfs/dbraw/zinc/21/94/27/1021219427.db2.gz YWRNSIROXQYTRL-UHFFFAOYSA-N -1 1 333.815 3.889 20 0 EHADMM CCc1ccc(C)nc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000656737432 1021230791 /nfs/dbraw/zinc/23/07/91/1021230791.db2.gz FVMNVLUKCWIZKZ-UHFFFAOYSA-N -1 1 338.860 3.590 20 0 EHADMM COc1cc(NC(=O)c2ccc([O-])cc2F)ccc1C(F)(F)F ZINC000436791432 1021235875 /nfs/dbraw/zinc/23/58/75/1021235875.db2.gz JJZCHUZMNCEXMV-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM O=C([O-])C12CC(C1)CN2Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000656760506 1021282104 /nfs/dbraw/zinc/28/21/04/1021282104.db2.gz VQYSBPAYZXYTCM-UHFFFAOYSA-N -1 1 334.828 3.513 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436860780 1021298453 /nfs/dbraw/zinc/29/84/53/1021298453.db2.gz YHUSNWCMQFOQAZ-UHFFFAOYSA-N -1 1 327.771 3.996 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2cc(OC(F)F)ccc2F)no1 ZINC000436865383 1021306076 /nfs/dbraw/zinc/30/60/76/1021306076.db2.gz STMVCRTZYSBDEJ-UHFFFAOYSA-N -1 1 340.232 3.989 20 0 EHADMM CCOc1cc(-c2noc([C@H]3[C@H](C)C3(F)F)n2)cc(Cl)c1[O-] ZINC000436871268 1021310163 /nfs/dbraw/zinc/31/01/63/1021310163.db2.gz JSHSVKBGEDBTIS-QUBYGPBYSA-N -1 1 330.718 3.863 20 0 EHADMM COCCOc1ccccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436872711 1021317572 /nfs/dbraw/zinc/31/75/72/1021317572.db2.gz XBCLKZMDUFIMSQ-UHFFFAOYSA-N -1 1 346.770 3.788 20 0 EHADMM COc1cccc(C2(c3nc(-c4ccc([O-])c(F)c4)no3)CC2)c1 ZINC000436877081 1021322087 /nfs/dbraw/zinc/32/20/87/1021322087.db2.gz DEPDBYFDQFCUQM-UHFFFAOYSA-N -1 1 326.327 3.670 20 0 EHADMM COc1cccc2c1nc(-c1ccc([O-])c(Br)c1)n2C ZINC000436858175 1021322399 /nfs/dbraw/zinc/32/23/99/1021322399.db2.gz ZBCXEJGTBWPXAT-UHFFFAOYSA-N -1 1 333.185 3.717 20 0 EHADMM Cc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000436877326 1021322988 /nfs/dbraw/zinc/32/29/88/1021322988.db2.gz GCNMSWHPCQICRT-UHFFFAOYSA-N -1 1 332.356 3.767 20 0 EHADMM O=C(N[C@H](Cc1ccccc1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436883891 1021336208 /nfs/dbraw/zinc/33/62/08/1021336208.db2.gz CRPJGNATMYDROK-HXUWFJFHSA-N -1 1 345.398 3.675 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2F)c(Cl)cc1F ZINC000507566176 1021366663 /nfs/dbraw/zinc/36/66/63/1021366663.db2.gz LJISEYAYLVSDTJ-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM O=C(C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)c1ccc([O-])cc1 ZINC000436927250 1021388097 /nfs/dbraw/zinc/38/80/97/1021388097.db2.gz QMCRJHKMOOJDLX-ZCNNSNEGSA-N -1 1 349.430 3.760 20 0 EHADMM COc1ccc2ccccc2c1CNC(=O)c1c([O-])cccc1F ZINC000436943659 1021406064 /nfs/dbraw/zinc/40/60/64/1021406064.db2.gz NDZPMVVRARMZBR-UHFFFAOYSA-N -1 1 325.339 3.623 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(OC(F)F)c1 ZINC000436949219 1021409441 /nfs/dbraw/zinc/40/94/41/1021409441.db2.gz YNFMCSYCGHKSEX-SECBINFHSA-N -1 1 325.286 3.624 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2cccc([S@@](C)=O)c2)c([O-])c1 ZINC000436989635 1021445717 /nfs/dbraw/zinc/44/57/17/1021445717.db2.gz OIKCBYZTZGVCFP-XMMPIXPASA-N -1 1 347.436 3.561 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1F)c1csc2ccccc21 ZINC000506592363 1021479375 /nfs/dbraw/zinc/47/93/75/1021479375.db2.gz GUHSYPFSJQTROL-UHFFFAOYSA-N -1 1 325.361 3.980 20 0 EHADMM CSCC1(CC(=O)Nc2cc(C)cc(Br)c2[O-])CC1 ZINC000593587450 1032991671 /nfs/dbraw/zinc/99/16/71/1032991671.db2.gz GDOIFHUUKZTQNY-UHFFFAOYSA-N -1 1 344.274 3.935 20 0 EHADMM COc1cc(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)cc(Cl)c1[O-] ZINC000527487863 1032999193 /nfs/dbraw/zinc/99/91/93/1032999193.db2.gz XAJLLWUDKSRDSW-CQSZACIVSA-N -1 1 345.826 3.992 20 0 EHADMM CC1(C)C(C(=O)N2CCC[C@H](c3n[n-]c(=S)n3C3CC3)C2)C1(C)C ZINC000073585774 1021897795 /nfs/dbraw/zinc/89/77/95/1021897795.db2.gz MSLWAUSPHGFMME-NSHDSACASA-N -1 1 348.516 3.664 20 0 EHADMM CC(C)(C)c1csc(C2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC000156396907 1021918596 /nfs/dbraw/zinc/91/85/96/1021918596.db2.gz ROSBTKOTITWEDH-UHFFFAOYSA-N -1 1 345.468 3.561 20 0 EHADMM C[C@@H](C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cccc(F)c1 ZINC000473663621 1022415199 /nfs/dbraw/zinc/41/51/99/1022415199.db2.gz XZHZPRGFKXNKSX-SNVBAGLBSA-N -1 1 345.324 3.658 20 0 EHADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1 ZINC000426659182 1022469448 /nfs/dbraw/zinc/46/94/48/1022469448.db2.gz CFLGBYJCDTXEBZ-SFHVURJKSA-N -1 1 334.375 3.700 20 0 EHADMM Cc1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc(C)c1Cl ZINC001625932490 1022477692 /nfs/dbraw/zinc/47/76/92/1022477692.db2.gz BDBRZCNKYLUKRP-UHFFFAOYSA-N -1 1 332.816 3.541 20 0 EHADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000517614973 1022501686 /nfs/dbraw/zinc/50/16/86/1022501686.db2.gz GMDQSSKIOKRDQU-UHFFFAOYSA-N -1 1 332.469 3.851 20 0 EHADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1C ZINC000330500718 1022605326 /nfs/dbraw/zinc/60/53/26/1022605326.db2.gz QSPRFQGKTNAKLA-UHFFFAOYSA-N -1 1 341.864 3.858 20 0 EHADMM COc1ccc(-c2nc(-c3ccc(OC(C)(C)C)cn3)no2)c([O-])c1 ZINC000293045959 1022703424 /nfs/dbraw/zinc/70/34/24/1022703424.db2.gz OXHXSQHVICIDMW-UHFFFAOYSA-N -1 1 341.367 3.690 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CCCC2(CCCC2)C1 ZINC000438693066 1022929351 /nfs/dbraw/zinc/92/93/51/1022929351.db2.gz RUIQAWDTXICVMT-UHFFFAOYSA-N -1 1 338.245 3.951 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000438724467 1022957206 /nfs/dbraw/zinc/95/72/06/1022957206.db2.gz PABKBQAHWRVVFE-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc([O-])c(F)c1F ZINC000562955918 1022978463 /nfs/dbraw/zinc/97/84/63/1022978463.db2.gz UIKPUXLIAADFOY-SNVBAGLBSA-N -1 1 333.334 3.565 20 0 EHADMM Cc1nn(-c2ccccc2)cc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000426691972 1022980246 /nfs/dbraw/zinc/98/02/46/1022980246.db2.gz NHIAPFXDXZUFHH-KRWDZBQOSA-N -1 1 341.436 3.548 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000438794460 1023011138 /nfs/dbraw/zinc/01/11/38/1023011138.db2.gz SGHSOFYKUUCYRW-UHFFFAOYSA-N -1 1 349.427 3.862 20 0 EHADMM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccoc2)c(F)c1 ZINC000655599205 1023027206 /nfs/dbraw/zinc/02/72/06/1023027206.db2.gz MGFHUEAIXICJBJ-UHFFFAOYSA-N -1 1 327.377 3.644 20 0 EHADMM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(F)ccc3[O-])[C@H](C)CO2)c1 ZINC000091682762 1023038608 /nfs/dbraw/zinc/03/86/08/1023038608.db2.gz LPUXNTRKBPADKX-AUUYWEPGSA-N -1 1 343.398 3.750 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1cccc(F)c1 ZINC000426798173 1023053540 /nfs/dbraw/zinc/05/35/40/1023053540.db2.gz IIFKQNPBCXGQLO-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM Cc1cnc(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)c([O-])c1 ZINC000427123817 1023227192 /nfs/dbraw/zinc/22/71/92/1023227192.db2.gz LJEXNIVUUJUJAO-UHFFFAOYSA-N -1 1 337.206 3.601 20 0 EHADMM O=C([N-]c1c(F)cc(F)cc1F)c1cnc(-c2cccnc2)s1 ZINC000536426198 1023275501 /nfs/dbraw/zinc/27/55/01/1023275501.db2.gz KSJJSVXJDZTRLS-UHFFFAOYSA-N -1 1 335.310 3.875 20 0 EHADMM C[C@@H](CS(=O)(=O)[N-]c1cc(F)cc(F)c1F)c1ccccc1 ZINC000431143493 1023328446 /nfs/dbraw/zinc/32/84/46/1023328446.db2.gz KKPYGTCIORZXCN-JTQLQIEISA-N -1 1 329.343 3.649 20 0 EHADMM COCCOc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000098110510 1023432288 /nfs/dbraw/zinc/43/22/88/1023432288.db2.gz WWISQUYCFCZZAK-UHFFFAOYSA-N -1 1 337.375 3.823 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c1 ZINC000132606414 1023435936 /nfs/dbraw/zinc/43/59/36/1023435936.db2.gz PGWSFEVZFFNKDA-UHFFFAOYSA-N -1 1 344.392 3.530 20 0 EHADMM O=C([N-]c1nnc(-c2ccco2)s1)c1nc2ccccc2s1 ZINC000341881141 1023524098 /nfs/dbraw/zinc/52/40/98/1023524098.db2.gz HADCPQFCVFIUAX-UHFFFAOYSA-N -1 1 328.378 3.660 20 0 EHADMM CCOc1cc(C(=O)NC2CCC(C(F)F)CC2)cc(Cl)c1[O-] ZINC000458154155 1023603935 /nfs/dbraw/zinc/60/39/35/1023603935.db2.gz XZWADPYIJIQPSB-UHFFFAOYSA-N -1 1 347.789 3.998 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-][C@H]([C@H](C)CC)C(F)(F)F)s1 ZINC000443943891 1024141189 /nfs/dbraw/zinc/14/11/89/1024141189.db2.gz SLLQQDWHOFPWNL-LDYMZIIASA-N -1 1 329.409 3.566 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000094036720 1024166812 /nfs/dbraw/zinc/16/68/12/1024166812.db2.gz BHGZELLLPFEOSR-IBGZPJMESA-N -1 1 336.366 3.578 20 0 EHADMM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(F)ccc1[O-] ZINC000094130399 1024216047 /nfs/dbraw/zinc/21/60/47/1024216047.db2.gz YCOHQZXTBBSWPQ-APPDUMDISA-N -1 1 349.789 3.787 20 0 EHADMM CCc1nnc([C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)[nH]1 ZINC000657256353 1024373571 /nfs/dbraw/zinc/37/35/71/1024373571.db2.gz ANFGKIFXNKFATD-LLVKDONJSA-N -1 1 341.440 3.691 20 0 EHADMM CCc1nc(S[C@H]2CCCc3ccccc3C2=O)[n-]c(=O)c1C ZINC000657264915 1024438904 /nfs/dbraw/zinc/43/89/04/1024438904.db2.gz GGJUCAHMPLUMAK-HNNXBMFYSA-N -1 1 328.437 3.733 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)c1 ZINC000434960363 1024525464 /nfs/dbraw/zinc/52/54/64/1024525464.db2.gz RSZHZGXLFNFPOH-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM Cc1cc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc(Cl)n1 ZINC000840195391 1024533197 /nfs/dbraw/zinc/53/31/97/1024533197.db2.gz DUKRFDFNTMDBSV-UHFFFAOYSA-N -1 1 335.738 3.850 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc([C@H]2CCOC2)c1 ZINC000342255121 1024580694 /nfs/dbraw/zinc/58/06/94/1024580694.db2.gz VHRJPLVWMMKULY-INIZCTEOSA-N -1 1 349.390 3.539 20 0 EHADMM CCc1ncc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)o1 ZINC000843602230 1024614224 /nfs/dbraw/zinc/61/42/24/1024614224.db2.gz RCQSEWVDZCZLCT-UHFFFAOYSA-N -1 1 349.164 3.952 20 0 EHADMM CC[C@@H](c1ccccc1)S(=O)(=O)c1nc(-c2ccc(C)cc2)n[n-]1 ZINC000514910105 1024883279 /nfs/dbraw/zinc/88/32/79/1024883279.db2.gz VBIQFFXSTBYMRE-INIZCTEOSA-N -1 1 341.436 3.705 20 0 EHADMM CC[C@@H](c1ccccc1)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000514910105 1024883285 /nfs/dbraw/zinc/88/32/85/1024883285.db2.gz VBIQFFXSTBYMRE-INIZCTEOSA-N -1 1 341.436 3.705 20 0 EHADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1ccccc1-c1ccccc1 ZINC000474416362 1024919933 /nfs/dbraw/zinc/91/99/33/1024919933.db2.gz RBZWUXGRGDDPJC-UHFFFAOYSA-N -1 1 339.420 3.755 20 0 EHADMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)[nH]n1 ZINC000474422313 1024936621 /nfs/dbraw/zinc/93/66/21/1024936621.db2.gz SNTCLNPEFUFNQJ-UHFFFAOYSA-N -1 1 329.425 3.562 20 0 EHADMM CC(NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])(C1CC1)C1CC1 ZINC001167514589 1024949699 /nfs/dbraw/zinc/94/96/99/1024949699.db2.gz RZNRWVGOHHCYJZ-UHFFFAOYSA-N -1 1 339.391 3.773 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474430957 1024959166 /nfs/dbraw/zinc/95/91/66/1024959166.db2.gz XUXPYULKKUXRFK-UHFFFAOYSA-N -1 1 337.420 3.706 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)cc1C ZINC000435731962 1025097990 /nfs/dbraw/zinc/09/79/90/1025097990.db2.gz NKEROFUKNFYGLY-UHFFFAOYSA-N -1 1 349.452 3.738 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1C ZINC000435737780 1025116716 /nfs/dbraw/zinc/11/67/16/1025116716.db2.gz LVANTKLDZNEZRW-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM Cc1cnc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000521273577 1025306846 /nfs/dbraw/zinc/30/68/46/1025306846.db2.gz WMWACQYILXNOAT-JTQLQIEISA-N -1 1 337.832 3.572 20 0 EHADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](CC(C)C)c1ccccc1C ZINC000303528147 1025472813 /nfs/dbraw/zinc/47/28/13/1025472813.db2.gz QTCSSUVYOHEJPY-MRXNPFEDSA-N -1 1 336.457 3.666 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2ccn(-c3ccccc3F)n2)[n-]1 ZINC000436255010 1025512458 /nfs/dbraw/zinc/51/24/58/1025512458.db2.gz VUOGZSBGDAMKEK-UHFFFAOYSA-N -1 1 342.399 3.677 20 0 EHADMM COc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000442952041 1025604827 /nfs/dbraw/zinc/60/48/27/1025604827.db2.gz QLERLXAIFUOLLN-JTQLQIEISA-N -1 1 337.778 3.727 20 0 EHADMM CSC[C@H](C)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451222201 1025691747 /nfs/dbraw/zinc/69/17/47/1025691747.db2.gz ZPSVYZKJXVQZHI-QMMMGPOBSA-N -1 1 335.903 3.585 20 0 EHADMM Cc1nc(-c2ccc(N3CCC[C@@H](C(C)C)C3)nc2)[n-]c(=O)c1C ZINC000436466190 1025747569 /nfs/dbraw/zinc/74/75/69/1025747569.db2.gz OIAUXYFNBWVCLV-MRXNPFEDSA-N -1 1 326.444 3.733 20 0 EHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000436480261 1025756026 /nfs/dbraw/zinc/75/60/26/1025756026.db2.gz ZEVVKEGNPJXCEZ-UHFFFAOYSA-N -1 1 325.393 3.521 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)c1 ZINC000436480580 1025757209 /nfs/dbraw/zinc/75/72/09/1025757209.db2.gz YVMFQOYMHJDAQE-UHFFFAOYSA-N -1 1 345.342 3.829 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2[nH]c3ccc(C)cc3c2C)c1 ZINC000436503328 1025794547 /nfs/dbraw/zinc/79/45/47/1025794547.db2.gz JVYRTUFFYKLTSZ-UHFFFAOYSA-N -1 1 338.363 3.529 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000436504487 1025795086 /nfs/dbraw/zinc/79/50/86/1025795086.db2.gz KVAAQOKKYGYECC-UHFFFAOYSA-N -1 1 333.409 3.790 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000436519866 1025817403 /nfs/dbraw/zinc/81/74/03/1025817403.db2.gz RYQOOSHUEJOWDY-CHWSQXEVSA-N -1 1 345.782 3.574 20 0 EHADMM 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O=C(Nc1ccccc1Cc1ccccc1)c1csc(=NC2CC2)[n-]1 ZINC000476737423 1030853058 /nfs/dbraw/zinc/85/30/58/1030853058.db2.gz GQBOVCGIDCBETE-UHFFFAOYSA-N -1 1 349.459 3.982 20 0 EHADMM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1cc(Cl)ccc1F ZINC000551202422 1031124820 /nfs/dbraw/zinc/12/48/20/1031124820.db2.gz YQQJMXAJEMFAGL-UHFFFAOYSA-N -1 1 341.782 3.583 20 0 EHADMM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc2ccccc2c1 ZINC000116602161 1031252724 /nfs/dbraw/zinc/25/27/24/1031252724.db2.gz WJEYTALJQLMTGK-UHFFFAOYSA-N -1 1 349.415 3.826 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2cc(O)cc(OC)c2)c([O-])c1 ZINC000584028251 1031514168 /nfs/dbraw/zinc/51/41/68/1031514168.db2.gz YEZHGACSMPIFPJ-UHFFFAOYSA-N -1 1 331.368 3.538 20 0 EHADMM O=C([O-])CCc1cccc(CNCc2ccccc2OCC(F)F)c1 ZINC000904025953 1031669248 /nfs/dbraw/zinc/66/92/48/1031669248.db2.gz LTQVFQLLTJFVJL-UHFFFAOYSA-N -1 1 349.377 3.638 20 0 EHADMM C/C(=C/c1cccc(C(F)(F)F)c1)CNCc1cc(C(=O)[O-])no1 ZINC000904053936 1031677146 /nfs/dbraw/zinc/67/71/46/1031677146.db2.gz BKVMRJBHYCZKEW-YHYXMXQVSA-N -1 1 340.301 3.585 20 0 EHADMM CC[C@H](NCC=Cc1c(C)cc(C)cc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904062767 1031689389 /nfs/dbraw/zinc/68/93/89/1031689389.db2.gz RIWQZTFAVFPFPQ-WLMCBFPDSA-N -1 1 327.428 3.787 20 0 EHADMM O=C([O-])CC[C@H](NCc1ccco1)c1ccc(Br)cc1 ZINC000904072480 1031700259 /nfs/dbraw/zinc/70/02/59/1031700259.db2.gz KUXGGLOSWPPFME-AWEZNQCLSA-N -1 1 338.201 3.738 20 0 EHADMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C)s1 ZINC000060499216 1031709385 /nfs/dbraw/zinc/70/93/85/1031709385.db2.gz YMOYINHOHFYLSE-QMMMGPOBSA-N -1 1 349.399 3.822 20 0 EHADMM COc1ccc2c(Cc3nc(-c4ccc([O-])cc4F)no3)coc2c1 ZINC000445454698 1031869780 /nfs/dbraw/zinc/86/97/80/1031869780.db2.gz HMPGREZIKFHVQO-UHFFFAOYSA-N -1 1 340.310 3.927 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000180714425 1031899976 /nfs/dbraw/zinc/89/99/76/1031899976.db2.gz HCUPOHIGLJDLED-UHFFFAOYSA-N -1 1 348.443 3.659 20 0 EHADMM CCc1c(-c2nc(-c3ccc([O-])cc3F)no2)cnn1CC(C)C ZINC000445459835 1031915155 /nfs/dbraw/zinc/91/51/55/1031915155.db2.gz IDCIODNFNNZNAD-UHFFFAOYSA-N -1 1 330.363 3.663 20 0 EHADMM CCC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1ccc(F)cc1 ZINC000460691520 1031976879 /nfs/dbraw/zinc/97/68/79/1031976879.db2.gz RIDWYYOZCMMDNY-HNNXBMFYSA-N -1 1 341.411 3.898 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2ccccc2OCC(F)(F)F)n1 ZINC000195063555 1031996319 /nfs/dbraw/zinc/99/63/19/1031996319.db2.gz VEKYFNCTBIUBAE-UHFFFAOYSA-N -1 1 344.358 3.566 20 0 EHADMM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000650807772 1033428785 /nfs/dbraw/zinc/42/87/85/1033428785.db2.gz HWNATSNCPRBZPW-CYBMUJFWSA-N -1 1 330.409 3.851 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc(F)c(F)cc1F ZINC000105589538 1033484014 /nfs/dbraw/zinc/48/40/14/1033484014.db2.gz RBLTYHHAURXCDA-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)c1 ZINC000608258784 1033553684 /nfs/dbraw/zinc/55/36/84/1033553684.db2.gz ULPVSQDIGWEUQM-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)c1 ZINC000108638935 1033828850 /nfs/dbraw/zinc/82/88/50/1033828850.db2.gz FLFDGBHCQIRUAL-UHFFFAOYSA-N -1 1 341.436 3.505 20 0 EHADMM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc2ccccc2c1[O-] ZINC000117669767 1033968786 /nfs/dbraw/zinc/96/87/86/1033968786.db2.gz CAPBKYNZWZOYDY-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM CC(C)c1ccccc1OCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000615138317 1034129109 /nfs/dbraw/zinc/12/91/09/1034129109.db2.gz YYNCXAOPLVPUCG-UHFFFAOYSA-N -1 1 339.395 3.800 20 0 EHADMM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000476504407 1034135620 /nfs/dbraw/zinc/13/56/20/1034135620.db2.gz BYBRLFMWSXFAKT-INIZCTEOSA-N -1 1 329.469 3.609 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1C ZINC000534206645 1034232740 /nfs/dbraw/zinc/23/27/40/1034232740.db2.gz GOTDXMDLEQFRIY-UHFFFAOYSA-N -1 1 342.420 3.743 20 0 EHADMM CC(C)(C)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000177044969 1034235601 /nfs/dbraw/zinc/23/56/01/1034235601.db2.gz GLMWTMURUXNSDL-UHFFFAOYSA-N -1 1 342.420 3.741 20 0 EHADMM CC(=O)c1[n-]c(=N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)sc1C ZINC000450422327 1034309112 /nfs/dbraw/zinc/30/91/12/1034309112.db2.gz MYEVOBNDOOJTFJ-ZFWWWQNUSA-N -1 1 336.844 3.672 20 0 EHADMM CO[C@@H]1C[C@H](N(C)C(=O)c2ccc3ccccc3c2[O-])C12CCC2 ZINC000456606104 1034590953 /nfs/dbraw/zinc/59/09/53/1034590953.db2.gz CTNFIBZSRPKNPB-DLBZAZTESA-N -1 1 325.408 3.575 20 0 EHADMM COc1cc(Cl)c(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC000647461587 1034599932 /nfs/dbraw/zinc/59/99/32/1034599932.db2.gz TVEMOUUNSAFBDK-GXSJLCMTSA-N -1 1 332.227 3.545 20 0 EHADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C1=CCCCCC1 ZINC000450700379 1034714936 /nfs/dbraw/zinc/71/49/36/1034714936.db2.gz TVYRFCGTEWLUII-UHFFFAOYSA-N -1 1 332.791 3.660 20 0 EHADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C1=CCCCCC1 ZINC000450700379 1034714951 /nfs/dbraw/zinc/71/49/51/1034714951.db2.gz TVYRFCGTEWLUII-UHFFFAOYSA-N -1 1 332.791 3.660 20 0 EHADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc(OC2CCCC2)nc1 ZINC000456776732 1034723908 /nfs/dbraw/zinc/72/39/08/1034723908.db2.gz FEAHEURXNSCXBQ-UHFFFAOYSA-N -1 1 334.322 3.639 20 0 EHADMM Cc1cc(C)n(Cc2ccc(C(=O)Nc3c([O-])cccc3F)cc2)n1 ZINC000605439874 1034735204 /nfs/dbraw/zinc/73/52/04/1034735204.db2.gz YGTZUEMSZFQWKU-UHFFFAOYSA-N -1 1 339.370 3.645 20 0 EHADMM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1c([O-])cccc1F ZINC000605439905 1034735986 /nfs/dbraw/zinc/73/59/86/1034735986.db2.gz YNTVKMKBJLIOKB-UHFFFAOYSA-N -1 1 329.249 3.611 20 0 EHADMM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000529944206 1034807472 /nfs/dbraw/zinc/80/74/72/1034807472.db2.gz MTLIKGXUZVEOHM-KRWDZBQOSA-N -1 1 341.382 3.509 20 0 EHADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@H](C)S1 ZINC000548942947 1035085523 /nfs/dbraw/zinc/08/55/23/1035085523.db2.gz GCRYTNQGTQRBQP-AOOOYVTPSA-N -1 1 336.844 3.560 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(OC(F)(F)F)c1 ZINC000024222699 1035276789 /nfs/dbraw/zinc/27/67/89/1035276789.db2.gz HCOAACIGCSZEQW-UHFFFAOYSA-N -1 1 335.278 3.525 20 0 EHADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2c(F)cc(F)cc2F)n1 ZINC000172975856 1035506296 /nfs/dbraw/zinc/50/62/96/1035506296.db2.gz KGISXUBIYPQNLZ-UHFFFAOYSA-N -1 1 329.709 3.923 20 0 EHADMM Cc1c(NC(=O)c2ccc([O-])c(F)c2)cnn1-c1ccc(Cl)cc1 ZINC000685868980 1035513791 /nfs/dbraw/zinc/51/37/91/1035513791.db2.gz WXIRYXCYXHIMHL-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000463510766 1035570585 /nfs/dbraw/zinc/57/05/85/1035570585.db2.gz CJUJJODXEKMQGP-UHFFFAOYSA-N -1 1 343.857 3.871 20 0 EHADMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc2ccccc2cc1[O-] ZINC000173283080 1035596226 /nfs/dbraw/zinc/59/62/26/1035596226.db2.gz UGUKERSEWLBHOT-UHFFFAOYSA-N -1 1 332.359 3.682 20 0 EHADMM Cc1nc(SCC(=O)Nc2cccc(C(C)C)c2)[n-]c(=O)c1C ZINC000540714051 1035621852 /nfs/dbraw/zinc/62/18/52/1035621852.db2.gz SSQMSFCQTIGTLB-UHFFFAOYSA-N -1 1 331.441 3.653 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000173522317 1035641431 /nfs/dbraw/zinc/64/14/31/1035641431.db2.gz BZOVNUVYKNNPJZ-DIFFPNOSSA-N -1 1 349.789 3.787 20 0 EHADMM CCOc1cc(C(=O)NCc2cc(F)ccc2F)cc(Cl)c1[O-] ZINC000186784765 1035702152 /nfs/dbraw/zinc/70/21/52/1035702152.db2.gz DVXGWZLTRHCDHX-UHFFFAOYSA-N -1 1 341.741 3.653 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C\c2cccnc2)c1 ZINC000492383092 1035713432 /nfs/dbraw/zinc/71/34/32/1035713432.db2.gz ZBBMIIIHKMDZAH-PLNGDYQASA-N -1 1 333.185 3.510 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccccc1)C1CC1)c1c(F)cccc1Cl ZINC000463686106 1035740816 /nfs/dbraw/zinc/74/08/16/1035740816.db2.gz NZBLCPONJBUYPN-HNNXBMFYSA-N -1 1 339.819 3.909 20 0 EHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3ccc(OC(F)F)cc3)c2)c1 ZINC000588176131 1035800420 /nfs/dbraw/zinc/80/04/20/1035800420.db2.gz FCBPHICLHMAXQM-UHFFFAOYSA-N -1 1 344.317 3.719 20 0 EHADMM COC(=O)c1c[n-]c(SCc2ncc(-c3cccc(Cl)c3)o2)n1 ZINC000187589319 1035841567 /nfs/dbraw/zinc/84/15/67/1035841567.db2.gz UVJQCLUDAQTQID-UHFFFAOYSA-N -1 1 349.799 3.797 20 0 EHADMM COc1ccc(C(=O)Nc2ccccc2CC(F)(F)F)c([O-])c1 ZINC000174446748 1035983830 /nfs/dbraw/zinc/98/38/30/1035983830.db2.gz CHDPNLFLDCVTEJ-UHFFFAOYSA-N -1 1 325.286 3.758 20 0 EHADMM COc1cc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc(Cl)c1[O-] ZINC000785420249 1036013088 /nfs/dbraw/zinc/01/30/88/1036013088.db2.gz XUJMGXLVIKFDJM-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000174682912 1036050929 /nfs/dbraw/zinc/05/09/29/1036050929.db2.gz YOQGMWHCMBYDDP-UHFFFAOYSA-N -1 1 349.305 3.675 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2cccc(F)c2Br)C1 ZINC000156963410 1036112810 /nfs/dbraw/zinc/11/28/10/1036112810.db2.gz WGBVVPHPIOHRSF-LLVKDONJSA-N -1 1 344.224 3.665 20 0 EHADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccccc2C)cc1F ZINC000541306865 1036178685 /nfs/dbraw/zinc/17/86/85/1036178685.db2.gz QWNFDKPKKVODFC-UHFFFAOYSA-N -1 1 329.393 3.796 20 0 EHADMM O=C(Nc1cccc(C(=O)NC2CC2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000190928237 1036302946 /nfs/dbraw/zinc/30/29/46/1036302946.db2.gz GWNSIRDKYTXIAA-UHFFFAOYSA-N -1 1 345.786 3.582 20 0 EHADMM Cc1ccc(CCCNC(=O)c2c[nH]c3ccccc3c2=O)c(C)c1 ZINC000032713232 1036965844 /nfs/dbraw/zinc/96/58/44/1036965844.db2.gz XQIBTXCCTDYPCA-UHFFFAOYSA-N -1 1 334.419 3.508 20 0 EHADMM CN(C)c1nc(Cl)c(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC001126694280 1036971029 /nfs/dbraw/zinc/97/10/29/1036971029.db2.gz OMWCAFCYFLKPKS-UHFFFAOYSA-N -1 1 335.738 3.532 20 0 EHADMM Cc1ccc2c([n-]cc(C(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)c2=O)[nH+]1 ZINC000176520656 1037015897 /nfs/dbraw/zinc/01/58/97/1037015897.db2.gz GNACFBQAXLRJAH-HOCLYGCPSA-N -1 1 347.418 3.662 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)cnc2n1 ZINC000176520656 1037015914 /nfs/dbraw/zinc/01/59/14/1037015914.db2.gz GNACFBQAXLRJAH-HOCLYGCPSA-N -1 1 347.418 3.662 20 0 EHADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ncncc3Cl)s2)c1 ZINC000176589396 1037067061 /nfs/dbraw/zinc/06/70/61/1037067061.db2.gz PLRRBNFNKQXYGK-UHFFFAOYSA-N -1 1 345.815 3.518 20 0 EHADMM O=C(c1ncccc1[O-])N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000104837574 1037112954 /nfs/dbraw/zinc/11/29/54/1037112954.db2.gz FBBGUKOCGGUCAB-GOSISDBHSA-N -1 1 330.387 3.575 20 0 EHADMM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000303145792 1037143267 /nfs/dbraw/zinc/14/32/67/1037143267.db2.gz QUCNIEPEXVSFFS-UHFFFAOYSA-N -1 1 339.407 3.529 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C/c2cncs2)c1 ZINC000493321187 1037254997 /nfs/dbraw/zinc/25/49/97/1037254997.db2.gz NAHTTYPSRAOSBP-NSCUHMNNSA-N -1 1 339.214 3.572 20 0 EHADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ccc12 ZINC000539856179 1037287776 /nfs/dbraw/zinc/28/77/76/1037287776.db2.gz JFMUTSDJQYIXMB-UHFFFAOYSA-N -1 1 329.425 3.796 20 0 EHADMM CC(C)[C@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000493501622 1037395606 /nfs/dbraw/zinc/39/56/06/1037395606.db2.gz XWOPEYAJJBRLLH-ZDUSSCGKSA-N -1 1 348.443 3.857 20 0 EHADMM CCC1(C)CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000462794354 1037408733 /nfs/dbraw/zinc/40/87/33/1037408733.db2.gz XLIICGOQRZVXJX-UHFFFAOYSA-N -1 1 326.444 3.878 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1C ZINC000134775451 1037548889 /nfs/dbraw/zinc/54/88/89/1037548889.db2.gz IWPJGQIUCKBKHZ-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CC(C)NC(=O)Nc1cccc(-c2nc3cccc(F)c3c(=O)[n-]2)c1 ZINC000591726162 1037568949 /nfs/dbraw/zinc/56/89/49/1037568949.db2.gz GKMGDAFIACJJIY-UHFFFAOYSA-N -1 1 340.358 3.671 20 0 EHADMM CC(C)(C)c1ccccc1OCCNC(=O)c1c(F)ccc([O-])c1F ZINC000573487038 1037581781 /nfs/dbraw/zinc/58/17/81/1037581781.db2.gz XQYUJFLHKIQDDS-UHFFFAOYSA-N -1 1 349.377 3.777 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCCO[C@H](c2ccccc2)C1 ZINC000591794093 1037602740 /nfs/dbraw/zinc/60/27/40/1037602740.db2.gz YNQVWRVTNRNYTD-KRWDZBQOSA-N -1 1 331.799 3.649 20 0 EHADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625894230 1037716675 /nfs/dbraw/zinc/71/66/75/1037716675.db2.gz SYBCDIMPMRSVBR-UHFFFAOYSA-N -1 1 346.337 3.557 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC000032595437 1037809221 /nfs/dbraw/zinc/80/92/21/1037809221.db2.gz JWVPFVRTKHICDW-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1c(F)ccc(O)c1F ZINC000343852538 1037882600 /nfs/dbraw/zinc/88/26/00/1037882600.db2.gz KOTRBKXBRGVPBV-UHFFFAOYSA-N -1 1 339.248 3.737 20 0 EHADMM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1c(F)ccc([O-])c1F ZINC000343852538 1037882608 /nfs/dbraw/zinc/88/26/08/1037882608.db2.gz KOTRBKXBRGVPBV-UHFFFAOYSA-N -1 1 339.248 3.737 20 0 EHADMM COc1cccc(SC)c1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000416123913 1038195880 /nfs/dbraw/zinc/19/58/80/1038195880.db2.gz SQUNUQOPTGENOD-UHFFFAOYSA-N -1 1 348.424 3.551 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107566301 1038376079 /nfs/dbraw/zinc/37/60/79/1038376079.db2.gz PMYITSMNVIEKQX-OLZOCXBDSA-N -1 1 346.312 3.719 20 0 EHADMM O=C(Cc1ccoc1)Nc1c([O-])cc(Br)cc1Cl ZINC000552022192 1038453005 /nfs/dbraw/zinc/45/30/05/1038453005.db2.gz DQJRRYBOTNXYQH-UHFFFAOYSA-N -1 1 330.565 3.582 20 0 EHADMM CC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1C(C)C)c1ccccc1F ZINC000416654019 1038867271 /nfs/dbraw/zinc/86/72/71/1038867271.db2.gz UXIUMRCNJXJKSE-SFHVURJKSA-N -1 1 349.427 3.558 20 0 EHADMM CC[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccn1 ZINC000910351131 1038875542 /nfs/dbraw/zinc/87/55/42/1038875542.db2.gz KKIQKYQWFAMLLA-LBPRGKRZSA-N -1 1 326.293 3.719 20 0 EHADMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)cc1C ZINC000554183320 1039030063 /nfs/dbraw/zinc/03/00/63/1039030063.db2.gz BDNKBEORLJCOMR-ZDUSSCGKSA-N -1 1 331.441 3.535 20 0 EHADMM CCc1csc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC000910733631 1039041771 /nfs/dbraw/zinc/04/17/71/1039041771.db2.gz JWDSSNGYTBQSNS-MRVPVSSYSA-N -1 1 344.358 3.921 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC2(CCCC2)O1 ZINC000648694764 1039094114 /nfs/dbraw/zinc/09/41/14/1039094114.db2.gz WSQFPOBTRMSWCE-AWEZNQCLSA-N -1 1 325.408 3.719 20 0 EHADMM COc1ccc(-c2nc(Cc3ccc(OC(C)C)cc3)no2)c([O-])c1 ZINC000436903672 1039173391 /nfs/dbraw/zinc/17/33/91/1039173391.db2.gz UOKMNVJOPMRCMD-UHFFFAOYSA-N -1 1 340.379 3.829 20 0 EHADMM COc1cc(C(=O)NCCCc2ccccc2F)cc(Cl)c1[O-] ZINC000478114668 1039226778 /nfs/dbraw/zinc/22/67/78/1039226778.db2.gz YCFNYVQTPCJMNY-UHFFFAOYSA-N -1 1 337.778 3.556 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)ccc1F ZINC000552464715 1039308396 /nfs/dbraw/zinc/30/83/96/1039308396.db2.gz PQUAEVBMUNDWBU-UHFFFAOYSA-N -1 1 349.427 3.862 20 0 EHADMM CC1(C)CN(CC(F)(F)F)CCN1Cc1cccc([O-])c1Cl ZINC000512517590 1039568279 /nfs/dbraw/zinc/56/82/79/1039568279.db2.gz YKIYAZUHQNBTQG-UHFFFAOYSA-N -1 1 336.785 3.504 20 0 EHADMM O=C([O-])c1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000584726515 1039627520 /nfs/dbraw/zinc/62/75/20/1039627520.db2.gz ZHTSTCUOKHSSQN-LSDHHAIUSA-N -1 1 325.861 3.898 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000554877927 1039876379 /nfs/dbraw/zinc/87/63/79/1039876379.db2.gz RSVSRXHXUONMOO-TXEJJXNPSA-N -1 1 330.815 3.856 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)c1cc2ccccn2c1 ZINC001141218794 1040238515 /nfs/dbraw/zinc/23/85/15/1040238515.db2.gz JCPNUXAWBCUOKO-UHFFFAOYSA-N -1 1 331.169 3.660 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2csc(-c3cccs3)n2)[C@@H]2CCC[C@H]21 ZINC000629374114 1040384152 /nfs/dbraw/zinc/38/41/52/1040384152.db2.gz SBEZZPUSJVNLQW-BFHYXJOUSA-N -1 1 348.493 3.947 20 0 EHADMM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1c(Cl)cc(Cl)cc1Cl ZINC000486819902 1040483501 /nfs/dbraw/zinc/48/35/01/1040483501.db2.gz NXICQRUUYKWUOW-AKZRSSKFSA-N -1 1 340.659 3.724 20 0 EHADMM CCCCc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000065620943 1040571260 /nfs/dbraw/zinc/57/12/60/1040571260.db2.gz LBFINCPRRFRMAV-UHFFFAOYSA-N -1 1 326.396 3.946 20 0 EHADMM Cc1[nH]nc(C(C)C)c1C(=O)Nc1cccc([O-])c1Br ZINC000908710076 1040605062 /nfs/dbraw/zinc/60/50/62/1040605062.db2.gz VYHBBAXJSHELHY-UHFFFAOYSA-N -1 1 338.205 3.562 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)c1coc(C2CCC2)n1 ZINC000908708558 1040605402 /nfs/dbraw/zinc/60/54/02/1040605402.db2.gz YLDYKSHGEDFRII-UHFFFAOYSA-N -1 1 337.173 3.663 20 0 EHADMM CCc1ccc(N(CC2CC2)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000908977102 1040731246 /nfs/dbraw/zinc/73/12/46/1040731246.db2.gz UMOTZAZFWGCPLH-UHFFFAOYSA-N -1 1 337.423 3.679 20 0 EHADMM CCCc1nnc([N-]C(=O)c2nc(-c3ccccc3F)oc2C)s1 ZINC000151344521 1040807160 /nfs/dbraw/zinc/80/71/60/1040807160.db2.gz IFKDZHSSCVWEGF-UHFFFAOYSA-N -1 1 346.387 3.845 20 0 EHADMM CC(C)Oc1cccc(F)c1Nc1nc[n-]c(=O)c1Br ZINC001211775357 1040827818 /nfs/dbraw/zinc/82/78/18/1040827818.db2.gz MJJYKKYDMZIAII-UHFFFAOYSA-N -1 1 342.168 3.615 20 0 EHADMM CCSCc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000909247200 1040895047 /nfs/dbraw/zinc/89/50/47/1040895047.db2.gz HPFJHVULEXHMLD-UHFFFAOYSA-N -1 1 329.425 3.565 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H](c1ccncc1)C1CCCC1 ZINC000909988270 1041122145 /nfs/dbraw/zinc/12/21/45/1041122145.db2.gz CPZCFQZBEFQAFN-QGZVFWFLSA-N -1 1 332.350 3.978 20 0 EHADMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)CC1 ZINC000299741109 1041602500 /nfs/dbraw/zinc/60/25/00/1041602500.db2.gz CVCCBQISELBILE-LLVKDONJSA-N -1 1 344.224 3.665 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(F)ccc2Br)CC1 ZINC000299741109 1041602501 /nfs/dbraw/zinc/60/25/01/1041602501.db2.gz CVCCBQISELBILE-LLVKDONJSA-N -1 1 344.224 3.665 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000045298941 1042070726 /nfs/dbraw/zinc/07/07/26/1042070726.db2.gz QWDINZJZRQMESH-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM CCC(C)(C)[C@@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000661558738 1042188212 /nfs/dbraw/zinc/18/82/12/1042188212.db2.gz IFHMFJAGEATYQT-CQSZACIVSA-N -1 1 346.471 3.821 20 0 EHADMM Cc1ccccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043135277 1042604313 /nfs/dbraw/zinc/60/43/13/1042604313.db2.gz NSPXRHWRTSOMNU-UHFFFAOYSA-N -1 1 338.407 3.827 20 0 EHADMM CC(C)CN1Cc2cccc(NC(=O)c3c([O-])cccc3F)c2C1 ZINC000185298853 1042632475 /nfs/dbraw/zinc/63/24/75/1042632475.db2.gz MUEOERRVBMPSIA-UHFFFAOYSA-N -1 1 328.387 3.755 20 0 EHADMM O=C(CSc1ncnc2sc3c(c21)CCC3)c1ccc([O-])cc1 ZINC000007124272 1042853327 /nfs/dbraw/zinc/85/33/27/1042853327.db2.gz MMFWNEWVDMSXPK-UHFFFAOYSA-N -1 1 342.445 3.861 20 0 EHADMM Cc1ccc2c([n-]cc(C(=O)N3CCC[C@@H](C(C)(C)C)C3)c2=O)[nH+]1 ZINC000408344799 1043454163 /nfs/dbraw/zinc/45/41/63/1043454163.db2.gz AHTMKVBPZMSURW-CYBMUJFWSA-N -1 1 327.428 3.542 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](C(C)(C)C)C1)c2=O ZINC000408344799 1043454181 /nfs/dbraw/zinc/45/41/81/1043454181.db2.gz AHTMKVBPZMSURW-CYBMUJFWSA-N -1 1 327.428 3.542 20 0 EHADMM COc1cc(C(=O)NCC(C)(C)c2ccccc2)cc(Cl)c1[O-] ZINC000153559290 1125631145 /nfs/dbraw/zinc/63/11/45/1125631145.db2.gz WLDGRIBIXNUXJX-UHFFFAOYSA-N -1 1 333.815 3.762 20 0 EHADMM O=C([O-])[C@@H](Cc1cc2ccccc2o1)[NH2+]Cc1cccc([O-])c1Cl ZINC001601657315 1126223138 /nfs/dbraw/zinc/22/31/38/1126223138.db2.gz KQMYAZDEWWNZDU-CQSZACIVSA-N -1 1 345.782 3.577 20 0 EHADMM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622519247 1126714155 /nfs/dbraw/zinc/71/41/55/1126714155.db2.gz XKBZLDGNUMYEGI-HNNXBMFYSA-N -1 1 340.826 3.920 20 0 EHADMM CCOc1cc(C(=O)NCCc2cccc(F)c2)cc(Cl)c1[O-] ZINC000171109422 1126751558 /nfs/dbraw/zinc/75/15/58/1126751558.db2.gz XCNBDMQZNQJBFR-UHFFFAOYSA-N -1 1 337.778 3.556 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2C1 ZINC000171346206 1126762751 /nfs/dbraw/zinc/76/27/51/1126762751.db2.gz MKWLWPVJNZTDLI-UHFFFAOYSA-N -1 1 344.480 3.830 20 0 EHADMM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cncc([O-])c2)cc1 ZINC000174745928 1126859815 /nfs/dbraw/zinc/85/98/15/1126859815.db2.gz JYMCYCAXGGYWKI-UHFFFAOYSA-N -1 1 336.391 3.574 20 0 EHADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(F)c(Cl)c1F ZINC000181112378 1127266776 /nfs/dbraw/zinc/26/67/76/1127266776.db2.gz JTTWKGHQTSTVIM-UHFFFAOYSA-N -1 1 343.664 3.741 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000029713741 1127806693 /nfs/dbraw/zinc/80/66/93/1127806693.db2.gz PBAYFPJZERFCAC-UHFFFAOYSA-N -1 1 346.452 3.699 20 0 EHADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000109425272 1128201731 /nfs/dbraw/zinc/20/17/31/1128201731.db2.gz XKNODQTZONGWTI-UHFFFAOYSA-N -1 1 344.358 3.572 20 0 EHADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2cccs2)CC1 ZINC000068446764 1128267286 /nfs/dbraw/zinc/26/72/86/1128267286.db2.gz BKGDHHVCEBTNRI-UHFFFAOYSA-N -1 1 336.486 3.603 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc(Cl)nc2)cc(Cl)c1[O-] ZINC000186445687 1128640742 /nfs/dbraw/zinc/64/07/42/1128640742.db2.gz QWRNRDBMXGCJEY-UHFFFAOYSA-N -1 1 327.167 3.745 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc(-c2cccnc2)s1 ZINC000542817267 1128660158 /nfs/dbraw/zinc/66/01/58/1128660158.db2.gz WBVCWBZJIYTBKT-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM O=S(=O)([N-]C1CCCCC1)c1c(Cl)cccc1C(F)(F)F ZINC000303909217 1128707157 /nfs/dbraw/zinc/70/71/57/1128707157.db2.gz WWTDQRTYEAXBLQ-UHFFFAOYSA-N -1 1 341.782 3.970 20 0 EHADMM COC(=O)c1cnc(Nc2cc(F)c([O-])c(Cl)c2)c(Cl)c1 ZINC001214482578 1128818705 /nfs/dbraw/zinc/81/87/05/1128818705.db2.gz 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[O-]c1c(F)cc(F)c(Nc2ccc(F)nc2Br)c1F ZINC001176664245 1132978564 /nfs/dbraw/zinc/97/85/64/1132978564.db2.gz OCSCEJFLPIECAE-UHFFFAOYSA-N -1 1 337.070 3.850 20 0 EHADMM CN1Cc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2N(C)C1=O ZINC001176672908 1132979401 /nfs/dbraw/zinc/97/94/01/1132979401.db2.gz ATQPHQMRZSGYOW-UHFFFAOYSA-N -1 1 337.301 3.555 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccc(Br)cc2CO)c1F ZINC001176671605 1132979760 /nfs/dbraw/zinc/97/97/60/1132979760.db2.gz JOYQZGWJDLBRRR-UHFFFAOYSA-N -1 1 348.118 3.808 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccccc2N2CCC(O)CC2)c1F ZINC001176671548 1132979877 /nfs/dbraw/zinc/97/98/77/1132979877.db2.gz GMJAGLVADGOQOJ-UHFFFAOYSA-N -1 1 338.329 3.514 20 0 EHADMM Nc1ccc(N)c(S(=O)(=O)[N-]c2ccc(C3CCCCC3)cc2)c1 ZINC001176730481 1132988763 /nfs/dbraw/zinc/98/87/63/1132988763.db2.gz NCBVSSIQKDZEPD-UHFFFAOYSA-N -1 1 345.468 3.700 20 0 EHADMM O=C(NCc1cccc2ncccc12)c1ccc(C(F)(F)F)c([O-])c1 ZINC001177271058 1133051200 /nfs/dbraw/zinc/05/12/00/1133051200.db2.gz GAOBCBKCOVMFIM-UHFFFAOYSA-N 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OXSOMWOXGQTMCB-AWEZNQCLSA-N -1 1 341.279 3.999 20 0 EHADMM CC(C)(CC1CCC1)C(=O)Nc1nc(Br)ccc1[O-] ZINC001183893856 1133871863 /nfs/dbraw/zinc/87/18/63/1133871863.db2.gz PIEXWBCVPNYJBH-UHFFFAOYSA-N -1 1 327.222 3.705 20 0 EHADMM O=S(=O)([N-][C@H](c1cccs1)C1CC1)c1sccc1Cl ZINC001185031220 1134022470 /nfs/dbraw/zinc/02/24/70/1134022470.db2.gz RFEDCWYUAGFIFU-NSHDSACASA-N -1 1 333.887 3.893 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC001185166238 1134043083 /nfs/dbraw/zinc/04/30/83/1134043083.db2.gz FSAMPRCLYKMEDP-VIFPVBQESA-N -1 1 342.233 3.928 20 0 EHADMM O=S(=O)([N-]c1cccc2c1CCC2)c1ccc(-c2cnco2)cc1 ZINC001185184816 1134045606 /nfs/dbraw/zinc/04/56/06/1134045606.db2.gz DVEMFNXQKIUUJT-UHFFFAOYSA-N -1 1 340.404 3.631 20 0 EHADMM CCCC[C@H](CC)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC001185232414 1134054627 /nfs/dbraw/zinc/05/46/27/1134054627.db2.gz LYMDMBHDJPJLIB-JTQLQIEISA-N -1 1 338.267 3.537 20 0 EHADMM O=S(=O)([N-]c1ncc(C(F)(F)F)cc1Cl)c1ccsc1 ZINC001185341024 1134074563 /nfs/dbraw/zinc/07/45/63/1134074563.db2.gz UXARBOVFXVVTFK-UHFFFAOYSA-N -1 1 342.751 3.616 20 0 EHADMM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185463089 1134091877 /nfs/dbraw/zinc/09/18/77/1134091877.db2.gz VKKWPRPJDZEIBK-UHFFFAOYSA-N -1 1 346.477 3.764 20 0 EHADMM CCOc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc(C)n1 ZINC001185495878 1134099277 /nfs/dbraw/zinc/09/92/77/1134099277.db2.gz CMGIJKCNPNEPJC-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(cnn2C(C)C)c1 ZINC001185836923 1134138924 /nfs/dbraw/zinc/13/89/24/1134138924.db2.gz YSMHWJHEULEAMW-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001186219145 1134188315 /nfs/dbraw/zinc/18/83/15/1134188315.db2.gz MESRSXZARNBGIO-AWEZNQCLSA-N -1 1 335.325 3.796 20 0 EHADMM O=C(NCc1ccc(Oc2ccccn2)cc1)c1ccc([O-])cc1F ZINC001186339484 1134204647 /nfs/dbraw/zinc/20/46/47/1134204647.db2.gz GNUDEWIMAGFLMO-UHFFFAOYSA-N -1 1 338.338 3.649 20 0 EHADMM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1sccc1Cl ZINC001186921987 1134275587 /nfs/dbraw/zinc/27/55/87/1134275587.db2.gz RKJDKSOUEJGBSD-CQSZACIVSA-N -1 1 341.885 3.701 20 0 EHADMM CC(C)[C@@H]1C[C@](NCc2cccnc2Cl)(C(=O)[O-])c2ccccc21 ZINC000789902318 1134347939 /nfs/dbraw/zinc/34/79/39/1134347939.db2.gz ADVGZLNIRJUZGL-HNAYVOBHSA-N -1 1 344.842 3.948 20 0 EHADMM Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790057057 1134366093 /nfs/dbraw/zinc/36/60/93/1134366093.db2.gz UGRCWUXFENEREQ-UHFFFAOYSA-N -1 1 342.786 3.700 20 0 EHADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790057057 1134366100 /nfs/dbraw/zinc/36/61/00/1134366100.db2.gz UGRCWUXFENEREQ-UHFFFAOYSA-N -1 1 342.786 3.700 20 0 EHADMM CC(C)OCc1cccc(NC(=O)c2ncc(C(F)(F)F)[n-]2)c1 ZINC001188288469 1134445238 /nfs/dbraw/zinc/44/52/38/1134445238.db2.gz ALDJQYAHUBPTBN-UHFFFAOYSA-N -1 1 327.306 3.606 20 0 EHADMM CC(C)OCc1cccc(NC(=O)c2nc(C(F)(F)F)c[n-]2)c1 ZINC001188288469 1134445242 /nfs/dbraw/zinc/44/52/42/1134445242.db2.gz ALDJQYAHUBPTBN-UHFFFAOYSA-N -1 1 327.306 3.606 20 0 EHADMM O=C(Nc1cc(-c2ccncc2)no1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572672 1134477893 /nfs/dbraw/zinc/47/78/93/1134477893.db2.gz URZLYNVQXYVOMJ-UHFFFAOYSA-N -1 1 349.268 3.713 20 0 EHADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC001189320966 1134570688 /nfs/dbraw/zinc/57/06/88/1134570688.db2.gz KTGJSDSFXQJDNW-SMDDNHRTSA-N -1 1 325.405 3.819 20 0 EHADMM O=S(=O)([N-]c1ccc2ocnc2c1)c1ccc(F)c2ccccc21 ZINC001189387939 1134578636 /nfs/dbraw/zinc/57/86/36/1134578636.db2.gz DFFWIRZYRAHDHE-UHFFFAOYSA-N -1 1 342.351 3.921 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1CO ZINC001189388453 1134579181 /nfs/dbraw/zinc/57/91/81/1134579181.db2.gz GNBMDYCCOTYGEP-UHFFFAOYSA-N -1 1 345.395 3.580 20 0 EHADMM O=S(=O)(Cc1cccc(F)c1F)[N-]c1csc2ncccc12 ZINC001189416966 1134584816 /nfs/dbraw/zinc/58/48/16/1134584816.db2.gz KPBVGLWWAZAVKH-UHFFFAOYSA-N -1 1 340.376 3.516 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])c1nc(Br)ccc1F ZINC000792275083 1134676063 /nfs/dbraw/zinc/67/60/63/1134676063.db2.gz CJRYTGWKOPYARG-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM Cn1ccc2cc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)ccc21 ZINC001190499562 1134706691 /nfs/dbraw/zinc/70/66/91/1134706691.db2.gz CZCNGJSYMPAOFJ-UHFFFAOYSA-N -1 1 326.421 3.857 20 0 EHADMM CC(C)c1ccccc1NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190617545 1134721039 /nfs/dbraw/zinc/72/10/39/1134721039.db2.gz GFJSEKONAAQUDI-UHFFFAOYSA-N -1 1 334.379 3.620 20 0 EHADMM COc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)ccc1Oc1ccccc1 ZINC001170229757 1134724262 /nfs/dbraw/zinc/72/42/62/1134724262.db2.gz AGHZSOAHKWGHTN-UHFFFAOYSA-N -1 1 349.350 3.603 20 0 EHADMM CC(C)=C[C@H]1[C@@H](C(=O)OCc2cc(=O)oc3cc([O-])ccc23)C1(C)C ZINC000792672020 1134775081 /nfs/dbraw/zinc/77/50/81/1134775081.db2.gz CAHZIHIGMUJQGK-YJBOKZPZSA-N -1 1 342.391 3.780 20 0 EHADMM COC(=O)c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC000792739039 1134784356 /nfs/dbraw/zinc/78/43/56/1134784356.db2.gz MXIBZSSVDLQZHE-UHFFFAOYSA-N -1 1 338.722 3.615 20 0 EHADMM COc1cc(C(=O)NCc2cccc3ncccc23)cc(Cl)c1[O-] ZINC001191155181 1134803489 /nfs/dbraw/zinc/80/34/89/1134803489.db2.gz BBWSZLTTYRCZAU-UHFFFAOYSA-N -1 1 342.782 3.532 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C)nc1Cl ZINC001191787586 1134922248 /nfs/dbraw/zinc/92/22/48/1134922248.db2.gz CUBXLGSZEAKPKG-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Nc2ccccc2C(C)C)c1 ZINC001192251991 1134985239 /nfs/dbraw/zinc/98/52/39/1134985239.db2.gz HOZRCVZWTRLNEX-UHFFFAOYSA-N -1 1 328.368 3.946 20 0 EHADMM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1c(F)ccc([O-])c1F ZINC001192540492 1135032265 /nfs/dbraw/zinc/03/22/65/1135032265.db2.gz NFAVUEUVPOCJLU-AWEZNQCLSA-N -1 1 347.361 3.794 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncncc3c2)c2ccccc12 ZINC001193862181 1135197725 /nfs/dbraw/zinc/19/77/25/1135197725.db2.gz BSYLNKHJGWKOAJ-UHFFFAOYSA-N -1 1 349.415 3.892 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(Cl)c[nH]c(=O)c2c1 ZINC001194335322 1135260935 /nfs/dbraw/zinc/26/09/35/1135260935.db2.gz WQFRRRWUNRXMPF-UHFFFAOYSA-N -1 1 348.811 3.703 20 0 EHADMM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586889 1135289058 /nfs/dbraw/zinc/28/90/58/1135289058.db2.gz SYCVTFLKGMPYFU-UHFFFAOYSA-N -1 1 338.395 3.594 20 0 EHADMM O=C(Nc1ccc2sc(Cl)nc2c1)c1c[n-]c(C(F)(F)F)n1 ZINC001194782829 1135315077 /nfs/dbraw/zinc/31/50/77/1135315077.db2.gz WVNDDGFEADBINV-UHFFFAOYSA-N -1 1 346.721 3.944 20 0 EHADMM O=C(Nc1ncccc1-c1ccccc1)c1c[n-]c(C(F)(F)F)n1 ZINC001194770078 1135321212 /nfs/dbraw/zinc/32/12/12/1135321212.db2.gz DNISNYSEHXOKKJ-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC001194836235 1135328189 /nfs/dbraw/zinc/32/81/89/1135328189.db2.gz VPPMRKJTLPUCFG-UHFFFAOYSA-N -1 1 349.452 3.738 20 0 EHADMM O=C(Nc1ccc([O-])c(Br)c1)Oc1ccc(F)cc1 ZINC001195035908 1135356833 /nfs/dbraw/zinc/35/68/33/1135356833.db2.gz PRYSEOOYFSRJLG-UHFFFAOYSA-N -1 1 326.121 3.905 20 0 EHADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195276394 1135403833 /nfs/dbraw/zinc/40/38/33/1135403833.db2.gz FPKLWRCZGCFWFU-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cc([O-])cnc1Cl ZINC001195305112 1135409912 /nfs/dbraw/zinc/40/99/12/1135409912.db2.gz AAIXRKLXGBOUKN-UHFFFAOYSA-N -1 1 336.178 3.505 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2cnc(Oc3ccccc3)cc2C)n1 ZINC001195318134 1135413421 /nfs/dbraw/zinc/41/34/21/1135413421.db2.gz IRVILDFQCSRWQW-UHFFFAOYSA-N -1 1 335.363 3.844 20 0 EHADMM COC(=O)c1cccc(NC(=S)Nc2cccc([O-])c2Cl)c1 ZINC001195847014 1135474486 /nfs/dbraw/zinc/47/44/86/1135474486.db2.gz ONXVJVJIEOURMQ-UHFFFAOYSA-N -1 1 336.800 3.641 20 0 EHADMM Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c1Cl ZINC001196247045 1135535198 /nfs/dbraw/zinc/53/51/98/1135535198.db2.gz XHGRCGUIITYCOL-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM NC(=O)c1ccc(C(=O)[N-]c2cccc(Cl)c2SC(F)F)o1 ZINC000747403219 1135551355 /nfs/dbraw/zinc/55/13/55/1135551355.db2.gz IFNHOTCWGQHUQM-UHFFFAOYSA-N -1 1 346.742 3.599 20 0 EHADMM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cccc(Cl)c1[O-] ZINC000775734836 1135590068 /nfs/dbraw/zinc/59/00/68/1135590068.db2.gz CFRGHLNJLYHNRD-UHFFFAOYSA-N -1 1 336.178 3.505 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2F)c1 ZINC001196765150 1135603850 /nfs/dbraw/zinc/60/38/50/1135603850.db2.gz VKTOXQUSLDDGTE-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(Cl)n1 ZINC000808568654 1135695923 /nfs/dbraw/zinc/69/59/23/1135695923.db2.gz OQNXVEKIIOJZMK-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM [O-]c1cc(F)c(F)cc1NC(=S)NCc1ccc(Cl)cc1 ZINC001197578630 1135702396 /nfs/dbraw/zinc/70/23/96/1135702396.db2.gz VHEWQGOLYVVNPS-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cc(F)cc(F)c1 ZINC001197636894 1135721482 /nfs/dbraw/zinc/72/14/82/1135721482.db2.gz SHYXAEPXJLIOLM-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM CC(C)(C)c1ccc(NC(=S)NCC(=O)c2ccc([O-])cc2)cc1 ZINC001198510112 1135829032 /nfs/dbraw/zinc/82/90/32/1135829032.db2.gz GRTLJKUCRMPVRO-UHFFFAOYSA-N -1 1 342.464 3.859 20 0 EHADMM COc1cc(Cl)cc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198859531 1135862289 /nfs/dbraw/zinc/86/22/89/1135862289.db2.gz VXKZGLYWQTZLTI-UHFFFAOYSA-N -1 1 337.784 3.896 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000775992423 1135914945 /nfs/dbraw/zinc/91/49/45/1135914945.db2.gz QVSMBXUIYUUPTJ-LJQANCHMSA-N -1 1 343.810 3.707 20 0 EHADMM [O-]c1cc(Br)cnc1NC(=S)NC1CCCCCC1 ZINC001199960176 1135940817 /nfs/dbraw/zinc/94/08/17/1135940817.db2.gz WFZSNRGDQAHJMS-UHFFFAOYSA-N -1 1 344.278 3.559 20 0 EHADMM [O-]c1cc(F)c(F)cc1NC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200883331 1135963211 /nfs/dbraw/zinc/96/32/11/1135963211.db2.gz YMIQDBMBCDRSMY-UHFFFAOYSA-N -1 1 346.362 3.665 20 0 EHADMM CCN(CC)[C@@H](C(=O)[N-]OC1CCC1)c1cccc(C(F)(F)F)c1 ZINC000812789651 1136247413 /nfs/dbraw/zinc/24/74/13/1136247413.db2.gz JLBOEMNFCHLISL-OAHLLOKOSA-N -1 1 344.377 3.689 20 0 EHADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-][C@@H](c1ccccc1)C(F)F ZINC000814285417 1136433882 /nfs/dbraw/zinc/43/38/82/1136433882.db2.gz HWYPXRFHCRKSSN-WOLCWHLNSA-N -1 1 341.354 3.722 20 0 EHADMM Cc1ccc(/C=C/S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1 ZINC000814285877 1136433988 /nfs/dbraw/zinc/43/39/88/1136433988.db2.gz QXUZLARHLRYMKJ-PCUGXKRQSA-N -1 1 337.391 3.892 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000855635768 1136714459 /nfs/dbraw/zinc/71/44/59/1136714459.db2.gz DGBGRIDMMZJMOD-HNNXBMFYSA-N -1 1 331.460 3.656 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1nccn1C ZINC000856279863 1136772622 /nfs/dbraw/zinc/77/26/22/1136772622.db2.gz KZFVOZFVDKTGGR-MRVPVSSYSA-N -1 1 348.180 3.696 20 0 EHADMM CCc1cc2c(CNc3cc(C)n(C(C)C)n3)cc(=O)oc2cc1[O-] ZINC000817386047 1136802414 /nfs/dbraw/zinc/80/24/14/1136802414.db2.gz PVTVCPDBHBAUSN-UHFFFAOYSA-N -1 1 341.411 3.759 20 0 EHADMM COc1ccc(C(F)(F)C(=O)[N-]Cc2c(F)cc(F)cc2F)cc1 ZINC000818516798 1136878787 /nfs/dbraw/zinc/87/87/87/1136878787.db2.gz IDZQFJUNAGQSEU-UHFFFAOYSA-N -1 1 345.267 3.521 20 0 EHADMM COc1cccc(S([O-])=CC(=O)Oc2ccccc2C(C)C)c1 ZINC000819942675 1136968776 /nfs/dbraw/zinc/96/87/76/1136968776.db2.gz BWOHXPJURYREEC-HSZRJFAPSA-N -1 1 332.421 3.532 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1cc(C(F)(F)F)ccc1Cl ZINC000820403008 1136990473 /nfs/dbraw/zinc/99/04/73/1136990473.db2.gz QEJOUJOHZQNTCA-DJWKRKHSSA-N -1 1 345.708 3.748 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC001136349617 1136996485 /nfs/dbraw/zinc/99/64/85/1136996485.db2.gz DMOTXRQJDJYLEX-UHFFFAOYSA-N -1 1 338.363 3.925 20 0 EHADMM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc([O-])cn1 ZINC001136385679 1137008491 /nfs/dbraw/zinc/00/84/91/1137008491.db2.gz DFRFYOCQNJQAHM-UHFFFAOYSA-N -1 1 341.754 3.880 20 0 EHADMM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cccc([O-])c1F ZINC001136582346 1137057331 /nfs/dbraw/zinc/05/73/31/1137057331.db2.gz DZYAZMPKKLAHDU-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM CCOc1cc(C(=O)NCCCCCCC(C)=O)cc(Cl)c1[O-] ZINC000862072244 1137127986 /nfs/dbraw/zinc/12/79/86/1137127986.db2.gz ITURORFQHCCMBX-UHFFFAOYSA-N -1 1 341.835 3.714 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCc2ccsc2)c1 ZINC000825011816 1137161786 /nfs/dbraw/zinc/16/17/86/1137161786.db2.gz YOXCBYQBSTYBSX-UHFFFAOYSA-N -1 1 328.359 3.847 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCCC[C@@H]1C1CCC1 ZINC000844124414 1137199662 /nfs/dbraw/zinc/19/96/62/1137199662.db2.gz UKYIVIKRYUBSKY-CQSZACIVSA-N -1 1 338.245 3.950 20 0 EHADMM Cc1c(Cl)cccc1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000864514250 1137231304 /nfs/dbraw/zinc/23/13/04/1137231304.db2.gz QXKHLIRAOVVBNT-UHFFFAOYSA-N -1 1 330.815 3.909 20 0 EHADMM COc1ccc(Cl)cc1CNCc1cccc(CCC(=O)[O-])c1 ZINC000864518670 1137231578 /nfs/dbraw/zinc/23/15/78/1137231578.db2.gz QIUKKUDMLGASTL-UHFFFAOYSA-N -1 1 333.815 3.656 20 0 EHADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cc(OC)ccc1OC ZINC000864527630 1137232520 /nfs/dbraw/zinc/23/25/20/1137232520.db2.gz GORYKXZYWQXAQS-GOSISDBHSA-N -1 1 343.423 3.572 20 0 EHADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1nc2c(s1)CCCC2 ZINC000864527280 1137232575 /nfs/dbraw/zinc/23/25/75/1137232575.db2.gz CPFCMZFESFIYRK-INIZCTEOSA-N -1 1 344.480 3.890 20 0 EHADMM [O-]c1cc(F)c(CN2CCC3(CC2)OCc2ccccc23)c(F)c1 ZINC001144555072 1137308704 /nfs/dbraw/zinc/30/87/04/1137308704.db2.gz UDISVIDBWYTLAZ-UHFFFAOYSA-N -1 1 331.362 3.692 20 0 EHADMM CCOC(=O)CN(Cc1cc(F)c([O-])cc1F)[C@H](C)c1ccccc1 ZINC001144659351 1137327095 /nfs/dbraw/zinc/32/70/95/1137327095.db2.gz FFWKPAJVYLMAAH-CYBMUJFWSA-N -1 1 349.377 3.797 20 0 EHADMM [O-]c1cc(F)c(CN2CCOC[C@@H]2c2ccc(Cl)cc2)cc1F ZINC001144660274 1137327186 /nfs/dbraw/zinc/32/71/86/1137327186.db2.gz YWNCULNCAOWEBR-MRXNPFEDSA-N -1 1 339.769 3.897 20 0 EHADMM CSc1cccnc1[N-]C(=O)c1cnc(Oc2ccccc2)cn1 ZINC001144821016 1137352100 /nfs/dbraw/zinc/35/21/00/1137352100.db2.gz XMQLXHCOVWQNJP-UHFFFAOYSA-N -1 1 338.392 3.638 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)cc2)[n-]1 ZINC001148337032 1137422730 /nfs/dbraw/zinc/42/27/30/1137422730.db2.gz VLGILTKSILCCET-XJKSGUPXSA-N -1 1 341.455 3.744 20 0 EHADMM O=C(NCc1cncc2ccccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001148806409 1137435324 /nfs/dbraw/zinc/43/53/24/1137435324.db2.gz VCKGRSRZXTVXEB-UHFFFAOYSA-N -1 1 346.308 3.889 20 0 EHADMM Nc1cccc2c1N(C(=O)c1cccc(-c3ccccc3)c1[O-])CC2 ZINC001148869224 1137436617 /nfs/dbraw/zinc/43/66/17/1137436617.db2.gz GFWIEAXTUKOCOI-UHFFFAOYSA-N -1 1 330.387 3.844 20 0 EHADMM Cc1cccc([C@@H](CO)NC(=O)c2cccc(-c3ccccc3)c2[O-])c1 ZINC001148872554 1137437084 /nfs/dbraw/zinc/43/70/84/1137437084.db2.gz KNPQQDNBZQZOBR-HXUWFJFHSA-N -1 1 347.414 3.831 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1cccc(Nc2nccs2)c1 ZINC001171636653 1137504079 /nfs/dbraw/zinc/50/40/79/1137504079.db2.gz ILFHLMNXYCNLAF-UHFFFAOYSA-N -1 1 329.356 3.984 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871325383 1137536228 /nfs/dbraw/zinc/53/62/28/1137536228.db2.gz VXQSRPLWPDTGII-HNNXBMFYSA-N -1 1 337.847 3.538 20 0 EHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2C)c(Cl)c1OC ZINC000871882411 1137562270 /nfs/dbraw/zinc/56/22/70/1137562270.db2.gz HWXRVYOYYRJDGF-MRXNPFEDSA-N -1 1 349.814 3.581 20 0 EHADMM COCc1csc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)c1 ZINC000871883058 1137562454 /nfs/dbraw/zinc/56/24/54/1137562454.db2.gz AXJGDVGYJSRPKU-HNNXBMFYSA-N -1 1 339.844 3.854 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2CCOC(C)(C)C2)c1 ZINC000872076477 1137570027 /nfs/dbraw/zinc/57/00/27/1137570027.db2.gz LXPGDXHIMBNFLG-ZDUSSCGKSA-N -1 1 344.377 3.543 20 0 EHADMM COc1ccccc1[C@H]1CCCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000872165972 1137574860 /nfs/dbraw/zinc/57/48/60/1137574860.db2.gz PTOUFBNHSRGTBV-ZDUSSCGKSA-N -1 1 346.452 3.620 20 0 EHADMM CCOCc1ccc(CNC(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC000872821360 1137585028 /nfs/dbraw/zinc/58/50/28/1137585028.db2.gz UNOAWROGCVJTDN-UHFFFAOYSA-N -1 1 348.830 3.582 20 0 EHADMM CCC[C@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc(Cl)c1 ZINC000875633143 1137636245 /nfs/dbraw/zinc/63/62/45/1137636245.db2.gz LBKAXRJXOWZCMD-AWEZNQCLSA-N -1 1 342.830 3.518 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCCC(C)(C)C)cc1 ZINC000126598443 1137681310 /nfs/dbraw/zinc/68/13/10/1137681310.db2.gz CTTAAYMSTCZOAK-UHFFFAOYSA-N -1 1 346.500 3.859 20 0 EHADMM O=C1[N-]C(=S)SC1=Cc1ccccc1OCc1ccccn1 ZINC000209907404 1137742844 /nfs/dbraw/zinc/74/28/44/1137742844.db2.gz LKKZOUJIKFANBB-NTEUORMPSA-N -1 1 328.418 3.990 20 0 EHADMM Cn1ccc([C@@H]([N-]c2nnc(C(C)(C)C)o2)c2ccc(Cl)cc2)n1 ZINC000882189362 1137823447 /nfs/dbraw/zinc/82/34/47/1137823447.db2.gz PHRKGEXCMWZTLY-AWEZNQCLSA-N -1 1 345.834 3.956 20 0 EHADMM CC(C)C1CCC([NH+]2CCN(C(=O)c3cccc(F)c3O)CC2)CC1 ZINC001137175824 1137825048 /nfs/dbraw/zinc/82/50/48/1137825048.db2.gz DFMKARFGQCACKH-UHFFFAOYSA-N -1 1 348.462 3.504 20 0 EHADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000130398295 1137836819 /nfs/dbraw/zinc/83/68/19/1137836819.db2.gz HKBVHDPNPPJASS-UHFFFAOYSA-N -1 1 345.754 3.622 20 0 EHADMM CCS[C@H]1CCC[C@@H](NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001137193389 1137865933 /nfs/dbraw/zinc/86/59/33/1137865933.db2.gz QFIOZCIYGFXIMP-NEPJUHHUSA-N -1 1 348.443 3.874 20 0 EHADMM COC(=O)c1sc([N-]c2c3nsnc3ccc2Cl)nc1C ZINC000133241877 1137882654 /nfs/dbraw/zinc/88/26/54/1137882654.db2.gz PBIMCHXRUKPHQB-UHFFFAOYSA-N -1 1 340.817 3.640 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC(C)(C)CC(F)F)c1 ZINC000884683921 1137968174 /nfs/dbraw/zinc/96/81/74/1137968174.db2.gz QZEIWEUBFQQAKR-UHFFFAOYSA-N -1 1 328.355 3.752 20 0 EHADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc(COC)on1 ZINC000080041207 1138160110 /nfs/dbraw/zinc/16/01/10/1138160110.db2.gz GHUQASBDDOGVJD-UHFFFAOYSA-N -1 1 326.805 3.839 20 0 EHADMM COc1ccc(C)cc1[C@@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC000263847608 1138379711 /nfs/dbraw/zinc/37/97/11/1138379711.db2.gz NVOVYNPTOXBZDQ-LLVKDONJSA-N -1 1 329.425 3.565 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC000337788372 1138668192 /nfs/dbraw/zinc/66/81/92/1138668192.db2.gz ZAUIXCJKZONXPR-UHFFFAOYSA-N -1 1 330.434 3.758 20 0 EHADMM CCC[C@@H](NC(=O)c1oc2c(ccc3ccccc23)c1C)c1nn[n-]n1 ZINC000136712049 1138809704 /nfs/dbraw/zinc/80/97/04/1138809704.db2.gz XOPJQXSUDUDUMN-OAHLLOKOSA-N -1 1 349.394 3.679 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2ccsc2C1 ZINC000338398974 1138891151 /nfs/dbraw/zinc/89/11/51/1138891151.db2.gz ABRNEBCBPDGMPQ-UHFFFAOYSA-N -1 1 344.823 3.854 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(C(F)F)CC1 ZINC000338417551 1138905358 /nfs/dbraw/zinc/90/53/58/1138905358.db2.gz WXSOPHCTJSRSKS-UHFFFAOYSA-N -1 1 340.757 3.711 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3ccc(Cl)cc3)cnc2n1 ZINC000338419911 1138906045 /nfs/dbraw/zinc/90/60/45/1138906045.db2.gz JVABMVNTOVJFLX-UHFFFAOYSA-N -1 1 341.798 3.569 20 0 EHADMM Cc1ccc2c(=O)c(C(=O)N(C)Cc3ccc(Cl)cc3)c[n-]c2n1 ZINC000338419911 1138906053 /nfs/dbraw/zinc/90/60/53/1138906053.db2.gz JVABMVNTOVJFLX-UHFFFAOYSA-N -1 1 341.798 3.569 20 0 EHADMM CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(Cl)cc1[O-] ZINC000174992214 1139455597 /nfs/dbraw/zinc/45/55/97/1139455597.db2.gz GDWJZJAIDULMHH-UHFFFAOYSA-N -1 1 336.844 3.653 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000178678969 1139711901 /nfs/dbraw/zinc/71/19/01/1139711901.db2.gz LNTGYPUMZBQQLY-UHFFFAOYSA-N -1 1 348.855 3.838 20 0 EHADMM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000181984965 1139944295 /nfs/dbraw/zinc/94/42/95/1139944295.db2.gz NUVBLWOPKXOOKC-GFCCVEGCSA-N -1 1 341.386 3.953 20 0 EHADMM CCOC(=O)CCCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185059698 1140134569 /nfs/dbraw/zinc/13/45/69/1140134569.db2.gz DNDJGOPNXJINDB-UHFFFAOYSA-N -1 1 346.452 3.571 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC2(CCOCC2)C1 ZINC000266590628 1140705925 /nfs/dbraw/zinc/70/59/25/1140705925.db2.gz QTQDNXAUCVTZKP-UHFFFAOYSA-N -1 1 325.408 3.578 20 0 EHADMM O=C(CCCOc1ccccc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339118829 1141502322 /nfs/dbraw/zinc/50/23/22/1141502322.db2.gz DBAZKESNMXPGKC-UHFFFAOYSA-N -1 1 337.379 3.580 20 0 EHADMM O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1cncc([O-])c1 ZINC000348895447 1141605461 /nfs/dbraw/zinc/60/54/61/1141605461.db2.gz SMEJBLMHVBNSCK-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM CN(C)Cc1cnc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)s1 ZINC000349103215 1141638788 /nfs/dbraw/zinc/63/87/88/1141638788.db2.gz CDSWPWIACAAKAA-WAYWQWQTSA-N -1 1 345.449 3.683 20 0 EHADMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C1CCCCC1 ZINC000104180733 219355266 /nfs/dbraw/zinc/35/52/66/219355266.db2.gz KHZROGALEXEAJM-SNVBAGLBSA-N -1 1 326.234 3.853 20 0 EHADMM O=C(NCc1ccccc1Br)c1ccc(Cl)cc1[O-] ZINC000104185265 219357511 /nfs/dbraw/zinc/35/75/11/219357511.db2.gz GGUQXURLKVMXQS-UHFFFAOYSA-N -1 1 340.604 3.738 20 0 EHADMM CC(C)c1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000735929008 598933224 /nfs/dbraw/zinc/93/32/24/598933224.db2.gz VVUHGGOHFBSONF-UHFFFAOYSA-N -1 1 331.383 3.677 20 0 EHADMM CC(C)c1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000735929008 598933225 /nfs/dbraw/zinc/93/32/25/598933225.db2.gz VVUHGGOHFBSONF-UHFFFAOYSA-N -1 1 331.383 3.677 20 0 EHADMM COc1ccccc1[C@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC000821882850 599068434 /nfs/dbraw/zinc/06/84/34/599068434.db2.gz MDQCYNWWWPNCQR-JTQLQIEISA-N -1 1 330.388 3.868 20 0 EHADMM C[C@@H](Cc1cccs1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736066747 599269701 /nfs/dbraw/zinc/26/97/01/599269701.db2.gz PTANEBMLGIUHMJ-NSHDSACASA-N -1 1 336.424 3.520 20 0 EHADMM C[C@@H](Cc1cccs1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736066747 599269704 /nfs/dbraw/zinc/26/97/04/599269704.db2.gz PTANEBMLGIUHMJ-NSHDSACASA-N -1 1 336.424 3.520 20 0 EHADMM Cc1ccc(C[C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c(C)c1 ZINC000737334389 598538086 /nfs/dbraw/zinc/53/80/86/598538086.db2.gz GXSAQMHYDYEEGR-JTQLQIEISA-N -1 1 348.863 3.637 20 0 EHADMM Cc1ccc(C[C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c(C)c1 ZINC000737334389 598538088 /nfs/dbraw/zinc/53/80/88/598538088.db2.gz GXSAQMHYDYEEGR-JTQLQIEISA-N -1 1 348.863 3.637 20 0 EHADMM CC(C)(C)C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000735594352 599410548 /nfs/dbraw/zinc/41/05/48/599410548.db2.gz RIERVYIQXYIKEH-HNNXBMFYSA-N -1 1 340.406 3.990 20 0 EHADMM CC(C)(C)C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000735594352 599410551 /nfs/dbraw/zinc/41/05/51/599410551.db2.gz RIERVYIQXYIKEH-HNNXBMFYSA-N -1 1 340.406 3.990 20 0 EHADMM CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000820924917 599464625 /nfs/dbraw/zinc/46/46/25/599464625.db2.gz BXLKLNCAZLWYOW-JTQLQIEISA-N -1 1 334.836 3.848 20 0 EHADMM CC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000820924917 599464627 /nfs/dbraw/zinc/46/46/27/599464627.db2.gz BXLKLNCAZLWYOW-JTQLQIEISA-N -1 1 334.836 3.848 20 0 EHADMM Cc1cccc(-n2ccn(CN3CCCC[C@@H]3CC(=O)[O-])c2=S)c1 ZINC000738681797 599840068 /nfs/dbraw/zinc/84/00/68/599840068.db2.gz XNTGGZZWQHOOER-OAHLLOKOSA-N -1 1 345.468 3.603 20 0 EHADMM Cc1oc(CN2CCC(OC3CCC(C)CC3)CC2)cc1C(=O)[O-] ZINC000652411212 599866692 /nfs/dbraw/zinc/86/66/92/599866692.db2.gz OXKXLKMMZCHGJN-UHFFFAOYSA-N -1 1 335.444 3.846 20 0 EHADMM O=C([O-])c1occc1CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000740281005 599875861 /nfs/dbraw/zinc/87/58/61/599875861.db2.gz GRUAUEPEMQQSGD-UHFFFAOYSA-N -1 1 325.286 3.776 20 0 EHADMM Cc1cccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000320511667 600051364 /nfs/dbraw/zinc/05/13/64/600051364.db2.gz YVTRQBSVILRTHT-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM CCN(CC)Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000737088745 600086176 /nfs/dbraw/zinc/08/61/76/600086176.db2.gz QURPBVMHRZUYDK-UHFFFAOYSA-N -1 1 349.362 3.603 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@H](C)c2cc(C)cc(C)c2)c(C)c1C(=O)[O-] ZINC000738363112 600139690 /nfs/dbraw/zinc/13/96/90/600139690.db2.gz CEFZZCVNSZFSAN-HIFRSBDPSA-N -1 1 342.439 3.869 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000738964923 600491138 /nfs/dbraw/zinc/49/11/38/600491138.db2.gz YXKNRKNEYSOQKB-DYVFJYSZSA-N -1 1 331.437 3.965 20 0 EHADMM CCCc1c(C(=O)Nc2cccc(Cl)c2O)[nH]c(C)c1C(=O)[O-] ZINC000737044588 600581097 /nfs/dbraw/zinc/58/10/97/600581097.db2.gz XCMXDSAOMBXEDQ-UHFFFAOYSA-N -1 1 336.775 3.585 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1F ZINC000426770430 600734066 /nfs/dbraw/zinc/73/40/66/600734066.db2.gz RXCUEPDXDBTPSC-AWEZNQCLSA-N -1 1 343.276 3.640 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(-c2cccnc2)cc1)c1ccccc1F ZINC000833165951 600760926 /nfs/dbraw/zinc/76/09/26/600760926.db2.gz MWGHSMNMIDZBGS-IBGZPJMESA-N -1 1 336.366 3.803 20 0 EHADMM Cc1ccccc1[C@H]1CN(Cc2cccc(C(=O)[O-])c2)[C@H](C)CO1 ZINC000263508787 600833098 /nfs/dbraw/zinc/83/30/98/600833098.db2.gz YBMLYYXQBSOJQH-DNVCBOLYSA-N -1 1 325.408 3.655 20 0 EHADMM O=C([O-])[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1F ZINC000833169573 600834088 /nfs/dbraw/zinc/83/40/88/600834088.db2.gz KDLPLTXQKWNOLG-CYBMUJFWSA-N -1 1 329.356 3.529 20 0 EHADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 ZINC000321125686 600882292 /nfs/dbraw/zinc/88/22/92/600882292.db2.gz CMWNWJILQYERET-UHFFFAOYSA-N -1 1 333.771 3.660 20 0 EHADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ncc(-c2cccc(F)c2)o1 ZINC000248563374 601353066 /nfs/dbraw/zinc/35/30/66/601353066.db2.gz OOXIPTWFGNTWON-KCXAZCMYSA-N -1 1 344.386 3.698 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(-c2cccc(F)c2)o1 ZINC000248563380 601353360 /nfs/dbraw/zinc/35/33/60/601353360.db2.gz OOXIPTWFGNTWON-RCBQFDQVSA-N -1 1 344.386 3.698 20 0 EHADMM Cc1cc(CN[C@@H](C)c2ccc(F)cc2F)cc(C)c1OCC(=O)[O-] ZINC000832886902 601525493 /nfs/dbraw/zinc/52/54/93/601525493.db2.gz YTOBVVMITHYTOG-ZDUSSCGKSA-N -1 1 349.377 3.896 20 0 EHADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000569492609 601584000 /nfs/dbraw/zinc/58/40/00/601584000.db2.gz NREFHSHBCILRFC-WOJBJXKFSA-N -1 1 339.435 3.536 20 0 EHADMM COc1cc(CN(C)Cc2ccsc2C(=O)[O-])ccc1SC ZINC000563278615 601811002 /nfs/dbraw/zinc/81/10/02/601811002.db2.gz YBZYPWHGEZGOCU-UHFFFAOYSA-N -1 1 337.466 3.809 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1csc(CCc2ccccc2)n1 ZINC000650506527 601838450 /nfs/dbraw/zinc/83/84/50/601838450.db2.gz OZYOQWRRENOBKB-QGZVFWFLSA-N -1 1 344.480 3.758 20 0 EHADMM C[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000824755222 607532239 /nfs/dbraw/zinc/53/22/39/607532239.db2.gz KFYGMCGRWNRHDA-JTQLQIEISA-N -1 1 331.832 3.910 20 0 EHADMM C[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000824755222 607532240 /nfs/dbraw/zinc/53/22/40/607532240.db2.gz KFYGMCGRWNRHDA-JTQLQIEISA-N -1 1 331.832 3.910 20 0 EHADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(CCNC(=O)[O-])cc2)o1 ZINC000739090004 602003064 /nfs/dbraw/zinc/00/30/64/602003064.db2.gz MXDCMGBFNUAHCD-DYVFJYSZSA-N -1 1 328.412 3.503 20 0 EHADMM Cc1nc(CN2CCC(CC(=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC000582910613 602234522 /nfs/dbraw/zinc/23/45/22/602234522.db2.gz QNXFOXMUNIDZEG-UHFFFAOYSA-N -1 1 348.830 3.990 20 0 EHADMM COc1ccc2c(c1)C[N@H+](C/C=C(/C)C(=O)[O-])[C@@H](c1ccccc1)C2 ZINC000832493795 602347712 /nfs/dbraw/zinc/34/77/12/602347712.db2.gz UTBNLJXTSURWJB-CKOFDZGGSA-N -1 1 337.419 3.826 20 0 EHADMM COc1ccc2c(c1)CN(C/C=C(/C)C(=O)[O-])[C@@H](c1ccccc1)C2 ZINC000832493795 602347715 /nfs/dbraw/zinc/34/77/15/602347715.db2.gz UTBNLJXTSURWJB-CKOFDZGGSA-N -1 1 337.419 3.826 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1OCc1ccccc1)c1cccnc1 ZINC000833169045 604995578 /nfs/dbraw/zinc/99/55/78/604995578.db2.gz CUJCEZUCBZWLFG-HXUWFJFHSA-N -1 1 348.402 3.576 20 0 EHADMM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1cc(Cl)ccc1Cl ZINC000827717664 604997199 /nfs/dbraw/zinc/99/71/99/604997199.db2.gz KAXQBSCTVWYIMB-OTYXRUKQSA-N -1 1 325.195 3.865 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1Oc1ccccc1)c1cccnc1 ZINC000833169417 604998858 /nfs/dbraw/zinc/99/88/58/604998858.db2.gz IDIJXWKTZRLLPF-LJQANCHMSA-N -1 1 334.375 3.789 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000833680313 605070812 /nfs/dbraw/zinc/07/08/12/605070812.db2.gz HWYHTBDOZPSVRI-SNVBAGLBSA-N -1 1 339.338 3.992 20 0 EHADMM CC(C)(C)C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000833429849 605149978 /nfs/dbraw/zinc/14/99/78/605149978.db2.gz PPHWRLRZAZYRER-WTNCMQEWSA-N -1 1 331.441 3.957 20 0 EHADMM CCCCOc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000821077958 606132122 /nfs/dbraw/zinc/13/21/22/606132122.db2.gz YJQSWELHBFAABP-UHFFFAOYSA-N -1 1 327.388 3.559 20 0 EHADMM CCCCOc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC000821077958 606132123 /nfs/dbraw/zinc/13/21/23/606132123.db2.gz YJQSWELHBFAABP-UHFFFAOYSA-N -1 1 327.388 3.559 20 0 EHADMM CCC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821020824 606440150 /nfs/dbraw/zinc/44/01/50/606440150.db2.gz IKJBJCXVPXICAT-ZDUSSCGKSA-N -1 1 328.807 3.868 20 0 EHADMM CCC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821020824 606440152 /nfs/dbraw/zinc/44/01/52/606440152.db2.gz IKJBJCXVPXICAT-ZDUSSCGKSA-N -1 1 328.807 3.868 20 0 EHADMM CCCCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821077918 606486870 /nfs/dbraw/zinc/48/68/70/606486870.db2.gz WXXAUGAOCDAMQF-UHFFFAOYSA-N -1 1 327.413 3.523 20 0 EHADMM CCCCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821077918 606486872 /nfs/dbraw/zinc/48/68/72/606486872.db2.gz WXXAUGAOCDAMQF-UHFFFAOYSA-N -1 1 327.413 3.523 20 0 EHADMM C[C@@H](Sc1snc(Cl)c1-c1nnn[n-]1)c1cccs1 ZINC000824763611 608184748 /nfs/dbraw/zinc/18/47/48/608184748.db2.gz NZGZNTRSYUTLKI-RXMQYKEDSA-N -1 1 329.863 3.891 20 0 EHADMM C[C@@H](Sc1snc(Cl)c1-c1nn[n-]n1)c1cccs1 ZINC000824763611 608184749 /nfs/dbraw/zinc/18/47/49/608184749.db2.gz NZGZNTRSYUTLKI-RXMQYKEDSA-N -1 1 329.863 3.891 20 0 EHADMM Cc1ccc(CSc2snc(Cl)c2-c2nnn[n-]2)cc1C ZINC000826288445 608191123 /nfs/dbraw/zinc/19/11/23/608191123.db2.gz HLAFRSXUMVZQAH-UHFFFAOYSA-N -1 1 337.861 3.886 20 0 EHADMM Cc1ccc(CSc2snc(Cl)c2-c2nn[n-]n2)cc1C ZINC000826288445 608191124 /nfs/dbraw/zinc/19/11/24/608191124.db2.gz HLAFRSXUMVZQAH-UHFFFAOYSA-N -1 1 337.861 3.886 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C=C2CCCC2)c(-c2nnn[n-]2)s1 ZINC000824130174 608348001 /nfs/dbraw/zinc/34/80/01/608348001.db2.gz IMFZAOVDGUJJSU-UHFFFAOYSA-N -1 1 331.445 3.665 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C=C2CCCC2)c(-c2nn[n-]n2)s1 ZINC000824130174 608348002 /nfs/dbraw/zinc/34/80/02/608348002.db2.gz IMFZAOVDGUJJSU-UHFFFAOYSA-N -1 1 331.445 3.665 20 0 EHADMM C[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824925734 609509233 /nfs/dbraw/zinc/50/92/33/609509233.db2.gz GIFUNCPTAJIUNK-UWVGGRQHSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824925734 609509235 /nfs/dbraw/zinc/50/92/35/609509235.db2.gz GIFUNCPTAJIUNK-UWVGGRQHSA-N -1 1 333.461 3.600 20 0 EHADMM C(=C\[C@H]1CCCCCN1c1cccc(-c2nnn[n-]2)n1)\c1ccccc1 ZINC001573292622 946936653 /nfs/dbraw/zinc/93/66/53/946936653.db2.gz YSYZNKMDSDKCBN-LKBMAGLMSA-N -1 1 346.438 3.724 20 0 EHADMM C(=C\[C@H]1CCCCCN1c1cccc(-c2nn[n-]n2)n1)\c1ccccc1 ZINC001573292622 946936659 /nfs/dbraw/zinc/93/66/59/946936659.db2.gz YSYZNKMDSDKCBN-LKBMAGLMSA-N -1 1 346.438 3.724 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccncc2OCc2ccccc2)cc1 ZINC001595230541 949339253 /nfs/dbraw/zinc/33/92/53/949339253.db2.gz LMXXPCGHYXUWOP-UHFFFAOYSA-N -1 1 348.402 3.649 20 0 EHADMM O=C([O-])c1ccccc1CNCc1cccc(F)c1OC(F)(F)F ZINC001595255135 949588404 /nfs/dbraw/zinc/58/84/04/949588404.db2.gz HPNLBRPSKVAIQF-UHFFFAOYSA-N -1 1 343.276 3.712 20 0 EHADMM O=C([O-])CCCC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001595025449 951346830 /nfs/dbraw/zinc/34/68/30/951346830.db2.gz RESLYHUDURJRFL-CQSZACIVSA-N -1 1 349.818 3.525 20 0 EHADMM CN(CCCOCc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC000383651704 971884940 /nfs/dbraw/zinc/88/49/40/971884940.db2.gz JYSFRDYTYVMCGU-UHFFFAOYSA-N -1 1 331.387 3.563 20 0 EHADMM Cn1nc(C(=O)[O-])cc1CN1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000635302864 953876630 /nfs/dbraw/zinc/87/66/30/953876630.db2.gz DUYJCLVEZKKAID-FMQWLBJXSA-N -1 1 339.439 3.576 20 0 EHADMM CC1=NN(c2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)CC1 ZINC000445463967 1032061015 /nfs/dbraw/zinc/06/10/15/1032061015.db2.gz KWCHKAFBIJGIPI-UHFFFAOYSA-N -1 1 338.342 3.834 20 0 EHADMM O=C([O-])c1ccccc1CNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC001574815287 957886148 /nfs/dbraw/zinc/88/61/48/957886148.db2.gz OURXDZRVBIJVIH-UHFFFAOYSA-N -1 1 341.798 3.514 20 0 EHADMM O=C([O-])[C@H]1CCCCN1Cc1cc(Cl)ccc1Br ZINC000090252710 958094914 /nfs/dbraw/zinc/09/49/14/958094914.db2.gz VJJBTWCVASFGST-GFCCVEGCSA-N -1 1 332.625 3.542 20 0 EHADMM Cc1ccc(-c2ncc(CN(CC(=O)[O-])CC3CC3)s2)cc1C ZINC001594335678 958263876 /nfs/dbraw/zinc/26/38/76/958263876.db2.gz ZYKBCOPIMQYOBV-UHFFFAOYSA-N -1 1 330.453 3.724 20 0 EHADMM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cccc(C(F)(F)F)c1 ZINC000392173628 972420857 /nfs/dbraw/zinc/42/08/57/972420857.db2.gz NPHVTJSYSRGEJP-MRXNPFEDSA-N -1 1 335.325 3.717 20 0 EHADMM CC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1cccc(Br)c1 ZINC001140947355 960507894 /nfs/dbraw/zinc/50/78/94/960507894.db2.gz IPJQKYUJVGCRST-UHFFFAOYSA-N -1 1 338.201 3.762 20 0 EHADMM CCc1oc(CN2CCC[C@H]2c2cccc(OC)c2)cc1C(=O)[O-] ZINC001334030868 961754449 /nfs/dbraw/zinc/75/44/49/961754449.db2.gz BFZUQJDGIFASQO-KRWDZBQOSA-N -1 1 329.396 3.886 20 0 EHADMM CCCN(Cc1ccc(C(=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000263574999 962739332 /nfs/dbraw/zinc/73/93/32/962739332.db2.gz OGXNNRLYLSDTDF-HNNXBMFYSA-N -1 1 340.423 3.624 20 0 EHADMM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000663032955 968764506 /nfs/dbraw/zinc/76/45/06/968764506.db2.gz UOPIHMWCMNUJOA-CQSZACIVSA-N -1 1 341.367 3.508 20 0 EHADMM CCOc1ccc2nc(SCc3cc(C)c(C(=O)[O-])o3)[nH]c2c1 ZINC000319626949 970554872 /nfs/dbraw/zinc/55/48/72/970554872.db2.gz NMCXXMXXDAVZDQ-UHFFFAOYSA-N -1 1 332.381 3.854 20 0 EHADMM O=C([O-])CC[C@H](NCc1ccc(Br)cn1)c1ccccc1 ZINC000417601150 973964133 /nfs/dbraw/zinc/96/41/33/973964133.db2.gz KUTMKSXCOOJDNV-HNNXBMFYSA-N -1 1 349.228 3.540 20 0 EHADMM O=C([O-])c1cccc(CNCc2cc(Cl)ccc2OC(F)F)c1 ZINC000426695933 974044139 /nfs/dbraw/zinc/04/41/39/974044139.db2.gz LXURHDSGVVQHKY-UHFFFAOYSA-N -1 1 341.741 3.929 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)c(F)c1 ZINC000516301525 974305817 /nfs/dbraw/zinc/30/58/17/974305817.db2.gz UFNBYNHACHWOHA-CYBMUJFWSA-N -1 1 335.325 3.792 20 0 EHADMM CCCN(Cc1cnc(C(=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000530160579 974358170 /nfs/dbraw/zinc/35/81/70/974358170.db2.gz DXWSERSBSPZCSM-CYBMUJFWSA-N -1 1 339.395 3.894 20 0 EHADMM Cc1nc(C(F)(F)F)c(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)s1 ZINC000530178180 974363543 /nfs/dbraw/zinc/36/35/43/974363543.db2.gz ZNHLPEOLKBMYBG-HTQZYQBOSA-N -1 1 336.379 3.544 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(Br)s1 ZINC000530180262 974364771 /nfs/dbraw/zinc/36/47/71/974364771.db2.gz WADXRPJLSRJDCG-ILWJIGKKSA-N -1 1 332.263 3.584 20 0 EHADMM Cc1cnc([C@H](C)N2CCC(Cc3ccccc3C(=O)[O-])CC2)o1 ZINC000563454982 974534311 /nfs/dbraw/zinc/53/43/11/974534311.db2.gz JAOMYAYHASBDSR-AWEZNQCLSA-N -1 1 328.412 3.697 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(C(F)F)cc2)nc1C1CC1 ZINC000565765360 974587973 /nfs/dbraw/zinc/58/79/73/974587973.db2.gz DQEQEDMCVSULFZ-UHFFFAOYSA-N -1 1 332.350 3.885 20 0 EHADMM CCN(CCC(=O)[O-])Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000566361974 974609755 /nfs/dbraw/zinc/60/97/55/974609755.db2.gz OGBKQBLLXFGJGG-UHFFFAOYSA-N -1 1 342.317 3.657 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000568060081 974655999 /nfs/dbraw/zinc/65/59/99/974655999.db2.gz QBNZRIZPVXQJGG-MRXNPFEDSA-N -1 1 345.395 3.641 20 0 EHADMM COc1ccccc1CCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000569229623 974686796 /nfs/dbraw/zinc/68/67/96/974686796.db2.gz KLXNOBLXOPDIBH-UHFFFAOYSA-N -1 1 333.815 3.721 20 0 EHADMM COc1cc(CN(C)Cc2cc(C)c(C(=O)[O-])o2)ccc1SC ZINC000569701027 974696898 /nfs/dbraw/zinc/69/68/98/974696898.db2.gz QIHZMDVCDMJKKH-UHFFFAOYSA-N -1 1 335.425 3.649 20 0 EHADMM Cc1oc(CN(C)Cc2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000583089622 974936355 /nfs/dbraw/zinc/93/63/55/974936355.db2.gz JWUMHXAMNSNADC-UHFFFAOYSA-N -1 1 343.301 3.817 20 0 EHADMM O=C([O-])c1ccc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)nc1 ZINC000583757762 974945743 /nfs/dbraw/zinc/94/57/43/974945743.db2.gz GOMKSHASUKFKNY-IBGZPJMESA-N -1 1 335.407 3.988 20 0 EHADMM COc1cc(C)c(CN(C)[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000584356159 974954677 /nfs/dbraw/zinc/95/46/77/974954677.db2.gz AXWDXJBJUBBAQY-CYBMUJFWSA-N -1 1 347.411 3.805 20 0 EHADMM O=C([O-])c1ccoc1CN1CCC(Oc2ccccc2Cl)CC1 ZINC000652391203 975520648 /nfs/dbraw/zinc/52/06/48/975520648.db2.gz LSUGHQSPDDSJPC-UHFFFAOYSA-N -1 1 335.787 3.675 20 0 EHADMM COc1ccc(-c2cc(CN(CC(=O)[O-])C3CCCCC3)on2)cc1 ZINC000652482876 975551018 /nfs/dbraw/zinc/55/10/18/975551018.db2.gz YZRCHWMYITVGEG-UHFFFAOYSA-N -1 1 344.411 3.570 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccccc1N1CCCC1 ZINC000830362465 979016632 /nfs/dbraw/zinc/01/66/32/979016632.db2.gz ADUPXGKXOPGPNO-UHFFFAOYSA-N -1 1 342.439 3.772 20 0 EHADMM CCN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@@H](O)c1ccc(C)cc1 ZINC000846250882 979425759 /nfs/dbraw/zinc/42/57/59/979425759.db2.gz WHTJXEGKCRATNV-GOSISDBHSA-N -1 1 347.842 3.902 20 0 EHADMM CC[C@@H](NCCOc1ccc(/C=C/C(=O)[O-])cc1)c1nc(C)cs1 ZINC001595294354 980408280 /nfs/dbraw/zinc/40/82/80/980408280.db2.gz PRHTUPMZTXTQJX-YXMGTMDOSA-N -1 1 346.452 3.669 20 0 EHADMM CC[C@@](NCc1cccc(OC(C)(C)C)n1)(C(=O)[O-])c1ccccc1 ZINC001595299687 980429990 /nfs/dbraw/zinc/42/99/90/980429990.db2.gz CBXGKPCMUGHESU-FQEVSTJZSA-N -1 1 342.439 3.739 20 0 EHADMM CC(C)O[C@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000901908903 980621750 /nfs/dbraw/zinc/62/17/50/980621750.db2.gz XRNITSICIJIJJD-TZMCWYRMSA-N -1 1 334.441 3.658 20 0 EHADMM Cc1cc(CNCc2ccc(OCC(F)(F)F)cc2)oc1C(=O)[O-] ZINC000901943283 980642836 /nfs/dbraw/zinc/64/28/36/980642836.db2.gz XELURJJAVAYUCQ-UHFFFAOYSA-N -1 1 343.301 3.517 20 0 EHADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(Br)c2)o1 ZINC000902062912 980718243 /nfs/dbraw/zinc/71/82/43/980718243.db2.gz ORHODKOEKCWYIW-UHFFFAOYSA-N -1 1 338.201 3.681 20 0 EHADMM COc1cc([C@H](C)NCc2cc(C)c(C(=O)[O-])o2)ccc1OC(C)C ZINC000902117569 980742849 /nfs/dbraw/zinc/74/28/49/980742849.db2.gz ARBQJMZTHIZGKZ-ZDUSSCGKSA-N -1 1 347.411 3.933 20 0 EHADMM COCCSc1ccc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000902231481 980793050 /nfs/dbraw/zinc/79/30/50/980793050.db2.gz PQSFJNZVPSTMTC-CYBMUJFWSA-N -1 1 349.452 3.876 20 0 EHADMM COCCSc1ccc([C@@H](C)NCc2cc(C(=O)[O-])oc2C)cc1 ZINC000902231748 980793137 /nfs/dbraw/zinc/79/31/37/980793137.db2.gz REAUFONUZZDDIK-GFCCVEGCSA-N -1 1 349.452 3.876 20 0 EHADMM C[C@@H](Oc1ccc(CNCc2cc(C3CC3)ccc2F)cc1)C(=O)[O-] ZINC000902350955 980845123 /nfs/dbraw/zinc/84/51/23/980845123.db2.gz WRMWTCUCXZYWEP-CYBMUJFWSA-N -1 1 343.398 3.845 20 0 EHADMM C[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(OC(F)(F)F)cc1 ZINC000902353412 980846871 /nfs/dbraw/zinc/84/68/71/980846871.db2.gz HTKBUFJNCLBFQY-VIFPVBQESA-N -1 1 329.274 3.727 20 0 EHADMM CC(C)(CCN1CC(OCc2cccc3ccccc32)C1)C(=O)[O-] ZINC000902386109 980865870 /nfs/dbraw/zinc/86/58/70/980865870.db2.gz AHLUFPRAYYBYBP-UHFFFAOYSA-N -1 1 327.424 3.542 20 0 EHADMM O=C([O-])c1cccc(-c2nc(CN3CCC[C@@H](CF)C3)cs2)c1 ZINC000903607540 980988529 /nfs/dbraw/zinc/98/85/29/980988529.db2.gz JLEREEMTYYOTJK-LBPRGKRZSA-N -1 1 334.416 3.690 20 0 EHADMM CC[C@H](C)N(CC)Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC000903904925 981030071 /nfs/dbraw/zinc/03/00/71/981030071.db2.gz PZSSLSHUKGBPNK-JTQLQIEISA-N -1 1 344.249 3.776 20 0 EHADMM COc1ccc2oc([C@@H](C)NCc3ccc(C(=O)[O-])cn3)c(C)c2c1 ZINC000905724968 981123427 /nfs/dbraw/zinc/12/34/27/981123427.db2.gz QXGACQGZQVJZLB-GFCCVEGCSA-N -1 1 340.379 3.694 20 0 EHADMM CC[C@@H]1Cc2c(Br)cccc2CN1C/C=C(/C)C(=O)[O-] ZINC001595499929 981268082 /nfs/dbraw/zinc/26/80/82/981268082.db2.gz DXAMXGTVOXKGCW-LWMSPQMPSA-N -1 1 338.245 3.617 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(F)cc1F)c1ccc(Cl)c(F)c1 ZINC000683172291 1014734374 /nfs/dbraw/zinc/73/43/74/1014734374.db2.gz CBXIZZYTCVWMRR-CQSZACIVSA-N -1 1 329.705 3.673 20 0 EHADMM CC[C@@](C)(NCc1ccc(C(=O)[O-])c2cccnc12)c1nccs1 ZINC001594852598 982096360 /nfs/dbraw/zinc/09/63/60/982096360.db2.gz OLTYXRUIFZLZBI-GOSISDBHSA-N -1 1 341.436 3.805 20 0 EHADMM CCCCC[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1O)C(=O)[O-] ZINC001595676904 982149046 /nfs/dbraw/zinc/14/90/46/982149046.db2.gz RPFLAFSDMVFFKE-OAHLLOKOSA-N -1 1 349.814 3.962 20 0 EHADMM CC[C@H](C)C(=O)Nc1cccc(CNCc2ccsc2C(=O)[O-])c1 ZINC001594866089 982173837 /nfs/dbraw/zinc/17/38/37/982173837.db2.gz PISZHOOXQWMUSH-LBPRGKRZSA-N -1 1 346.452 3.721 20 0 EHADMM Cc1cc2c(cc1C)O[C@@H](c1nc(-c3ccc([O-])cc3F)no1)C2 ZINC000445464994 1014811195 /nfs/dbraw/zinc/81/11/95/1014811195.db2.gz XGECMBAPDBZCDC-MRXNPFEDSA-N -1 1 326.327 3.874 20 0 EHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001594499852 985669355 /nfs/dbraw/zinc/66/93/55/985669355.db2.gz FXPUDMZVAGNTBC-SJKOYZFVSA-N -1 1 331.799 3.749 20 0 EHADMM CCc1[nH]c(CN2CCC(OC3CCCCC3)CC2)cc1C(=O)[O-] ZINC001597383270 987582738 /nfs/dbraw/zinc/58/27/38/987582738.db2.gz CYDYPKUDKJFGMM-UHFFFAOYSA-N -1 1 334.460 3.589 20 0 EHADMM CCc1cccc(C)c1NC(=O)CN[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001597578364 988372522 /nfs/dbraw/zinc/37/25/22/988372522.db2.gz BNCNNASGYCHEMG-FQEVSTJZSA-N -1 1 346.471 3.509 20 0 EHADMM CCc1oc(CN2CCS[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC001597800186 989388928 /nfs/dbraw/zinc/38/89/28/989388928.db2.gz YLBQMQFIRXIQOV-QGZVFWFLSA-N -1 1 331.437 3.830 20 0 EHADMM CC(C)(O)C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001590892764 990821780 /nfs/dbraw/zinc/82/17/80/990821780.db2.gz KEGGNHVVCLUEDW-AWEZNQCLSA-N -1 1 346.254 3.602 20 0 EHADMM CC(C)[C@@H]1CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001591086762 991603876 /nfs/dbraw/zinc/60/38/76/991603876.db2.gz DYKZCTVSCXJXTI-SNVBAGLBSA-N -1 1 330.222 3.608 20 0 EHADMM C[C@@H](NC(=O)c1cncc([O-])c1)C(c1ccccc1)c1ccccc1 ZINC000339833953 1015725730 /nfs/dbraw/zinc/72/57/30/1015725730.db2.gz NQDRMRODRYBOMY-OAHLLOKOSA-N -1 1 332.403 3.738 20 0 EHADMM CN(Cc1csc2ccccc12)Cc1ccccc1OCC(=O)[O-] ZINC001598530927 992779728 /nfs/dbraw/zinc/77/97/28/992779728.db2.gz ZAUVYGUAUKUYAO-UHFFFAOYSA-N -1 1 341.432 3.997 20 0 EHADMM COc1ccc(OC)c([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599603260 993847721 /nfs/dbraw/zinc/84/77/21/993847721.db2.gz UCKVMIBVVNJGOJ-PIGZYNQJSA-N -1 1 349.814 3.834 20 0 EHADMM COc1cccc(-c2csc(CN(C[C@@H](C)C(=O)[O-])C3CC3)n2)c1 ZINC001599638550 994324825 /nfs/dbraw/zinc/32/48/25/994324825.db2.gz CCUJRANRVGFTRP-GFCCVEGCSA-N -1 1 346.452 3.504 20 0 EHADMM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC001593303160 994731976 /nfs/dbraw/zinc/73/19/76/994731976.db2.gz DFJHHIRIBOOMSB-NSHDSACASA-N -1 1 338.329 3.578 20 0 EHADMM C[C@H](Oc1ccc(CN2CC[C@@](F)(c3ccccc3)C2)cc1)C(=O)[O-] ZINC001593615688 995837203 /nfs/dbraw/zinc/83/72/03/995837203.db2.gz OVKPNIVQKQLQPV-YWZLYKJASA-N -1 1 343.398 3.609 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1CC ZINC000538091661 1032137304 /nfs/dbraw/zinc/13/73/04/1032137304.db2.gz JPPSBEABLQJXMQ-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM COCc1cc(CN[C@H](C(=O)[O-])c2ccccc2Cl)ccc1F ZINC001599282030 996907753 /nfs/dbraw/zinc/90/77/53/996907753.db2.gz FRPZLSKGLDUYNA-INIZCTEOSA-N -1 1 337.778 3.541 20 0 EHADMM COc1cc([C@@H](C)NCc2occc2C(=O)[O-])cc2ccccc21 ZINC001599388895 996996252 /nfs/dbraw/zinc/99/62/52/996996252.db2.gz IWRLCGDNOTVXDS-GFCCVEGCSA-N -1 1 325.364 3.990 20 0 EHADMM COc1ccc(C(C)C)cc1CN(CCC(F)(F)F)CC(=O)[O-] ZINC001599506445 997218767 /nfs/dbraw/zinc/21/87/67/997218767.db2.gz INQFTCVZRNRBNN-UHFFFAOYSA-N -1 1 333.350 3.658 20 0 EHADMM C[C@@]1(Cc2cccc(F)c2)CCCN1Cc1ncc(C(=O)[O-])s1 ZINC001594041206 997656501 /nfs/dbraw/zinc/65/65/01/997656501.db2.gz BWWQZGRLALZWQZ-KRWDZBQOSA-N -1 1 334.416 3.578 20 0 EHADMM Cc1nc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c(C)o1 ZINC000340042880 1016163892 /nfs/dbraw/zinc/16/38/92/1016163892.db2.gz OUYGNINEKPFQOO-UHFFFAOYSA-N -1 1 332.410 3.546 20 0 EHADMM COc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)c([O-])c1 ZINC000536691838 1032142295 /nfs/dbraw/zinc/14/22/95/1032142295.db2.gz ZNUXSYHAXMKUIL-LBPRGKRZSA-N -1 1 329.421 3.932 20 0 EHADMM Cc1ncoc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000683344891 1016284882 /nfs/dbraw/zinc/28/48/82/1016284882.db2.gz HNWIVPAWOCNWAT-CYBMUJFWSA-N -1 1 340.408 3.555 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)s1 ZINC000510224091 1016503948 /nfs/dbraw/zinc/50/39/48/1016503948.db2.gz SDKVFYIVKHAQRR-UHFFFAOYSA-N -1 1 327.393 3.600 20 0 EHADMM Cc1ccccc1C1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCC1 ZINC000362595376 1016759896 /nfs/dbraw/zinc/75/98/96/1016759896.db2.gz CHPMEYBGQONOGD-UHFFFAOYSA-N -1 1 338.333 3.582 20 0 EHADMM CSc1ccc(C)c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000589690104 1016833050 /nfs/dbraw/zinc/83/30/50/1016833050.db2.gz JXAAUCPNQIWJLJ-UHFFFAOYSA-N -1 1 329.450 3.843 20 0 EHADMM O=C([O-])CCN(Cc1ccc(Br)cc1Cl)C1CC1 ZINC000168219854 1016836643 /nfs/dbraw/zinc/83/66/43/1016836643.db2.gz ZLZPFEJIEMZPMX-UHFFFAOYSA-N -1 1 332.625 3.542 20 0 EHADMM Cc1cnc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000180693403 1016905342 /nfs/dbraw/zinc/90/53/42/1016905342.db2.gz YABVTJJLGMQNFJ-QMMMGPOBSA-N -1 1 330.331 3.667 20 0 EHADMM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc([O-])cc1F ZINC000181975570 1017040413 /nfs/dbraw/zinc/04/04/13/1017040413.db2.gz ORQCDCSJYXVVKB-UHFFFAOYSA-N -1 1 347.239 3.864 20 0 EHADMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc([O-])cc3F)[C@@H](C)CO2)c1 ZINC000182003407 1017043641 /nfs/dbraw/zinc/04/36/41/1017043641.db2.gz GKXSKQDLGXLAST-LIRRHRJNSA-N -1 1 343.398 3.750 20 0 EHADMM Cc1c(Cl)cccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188142526 1017061537 /nfs/dbraw/zinc/06/15/37/1017061537.db2.gz LVSXPFREXJCYPR-UHFFFAOYSA-N -1 1 349.843 3.752 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1Cl ZINC000080717654 1032173757 /nfs/dbraw/zinc/17/37/57/1032173757.db2.gz ROQUJDMSOZJQLC-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM O=C(NCC1(c2cccc(F)c2)CCCCC1)c1cncc([O-])c1 ZINC000600970209 1032406504 /nfs/dbraw/zinc/40/65/04/1032406504.db2.gz PHWIKLNGXWWFCT-UHFFFAOYSA-N -1 1 328.387 3.558 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)c(C)c1 ZINC000533901942 1032613353 /nfs/dbraw/zinc/61/33/53/1032613353.db2.gz KVRHMIKSPIRKTI-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM [O-]c1ccc(-c2noc(CCCn3cnc4ccccc43)n2)c(F)c1 ZINC000683592316 1017552515 /nfs/dbraw/zinc/55/25/15/1017552515.db2.gz ZXAIDTWAHZPRTK-UHFFFAOYSA-N -1 1 338.342 3.564 20 0 EHADMM COc1cccc(-c2noc([N-]Cc3nc(-c4ccccc4)c[nH]3)n2)c1 ZINC000091463085 1032726641 /nfs/dbraw/zinc/72/66/41/1032726641.db2.gz ZWOUINCQYFOUJZ-UHFFFAOYSA-N -1 1 347.378 3.747 20 0 EHADMM CC[C@H](C)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000362721512 1017861003 /nfs/dbraw/zinc/86/10/03/1017861003.db2.gz GUVBXMDGACHODK-VIFPVBQESA-N -1 1 337.217 3.573 20 0 EHADMM COc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1Cl ZINC000340459490 1017909036 /nfs/dbraw/zinc/90/90/36/1017909036.db2.gz LQMDGPQOLXABCG-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM COc1ccc(C2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC000377625324 1018077399 /nfs/dbraw/zinc/07/73/99/1018077399.db2.gz ISIVVBGVAOCYQA-UHFFFAOYSA-N -1 1 347.361 3.699 20 0 EHADMM COc1c(C)ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1C ZINC000031722680 1032753621 /nfs/dbraw/zinc/75/36/21/1032753621.db2.gz MKXFGDNOHWEPJH-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM CC[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000729078804 1019174743 /nfs/dbraw/zinc/17/47/43/1019174743.db2.gz RNQVDNVIQHHOFK-AWEZNQCLSA-N -1 1 347.436 3.751 20 0 EHADMM CCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000729069626 1019174976 /nfs/dbraw/zinc/17/49/76/1019174976.db2.gz UBWKZTHZGKBHMJ-UHFFFAOYSA-N -1 1 347.436 3.753 20 0 EHADMM CCc1nsc([N-]c2cnn(-c3ncc(Cl)cc3Cl)c2)n1 ZINC000092685664 1032812916 /nfs/dbraw/zinc/81/29/16/1032812916.db2.gz DACNXRVUSOSSIN-UHFFFAOYSA-N -1 1 341.227 3.732 20 0 EHADMM Cc1c[nH]c2c1cccc2NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167937209 1019240894 /nfs/dbraw/zinc/24/08/94/1019240894.db2.gz UKDBUUXEQRCGIF-UHFFFAOYSA-N -1 1 342.335 3.561 20 0 EHADMM O=[P@]([O-])(O)C1(Nc2ccc3ccoc3c2)Cc2ccccc2C1 ZINC001167937141 1019242905 /nfs/dbraw/zinc/24/29/05/1019242905.db2.gz TYBVAUFXAYHPLT-UHFFFAOYSA-N -1 1 329.292 3.518 20 0 EHADMM CCc1cccc(CC)c1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167939888 1019297752 /nfs/dbraw/zinc/29/77/52/1019297752.db2.gz YXRJVZGUZJYLTO-UHFFFAOYSA-N -1 1 345.379 3.896 20 0 EHADMM CC[C@@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)[C@@H]1CCCCO1 ZINC000656226554 1019435244 /nfs/dbraw/zinc/43/52/44/1019435244.db2.gz IGUYUJOLNQTNGG-CVEARBPZSA-N -1 1 342.443 3.621 20 0 EHADMM COc1ccc2oc([N-][C@@H](C[C@@H]3CCCO3)C(F)(F)F)nc2c1 ZINC000656227666 1019442895 /nfs/dbraw/zinc/44/28/95/1019442895.db2.gz NCKUMQMIDFYEOH-GWCFXTLKSA-N -1 1 330.306 3.748 20 0 EHADMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1SC(C)C)C(C)C ZINC000647128794 1019591042 /nfs/dbraw/zinc/59/10/42/1019591042.db2.gz PECQTLIMTIGQGX-AWEZNQCLSA-N -1 1 331.503 3.600 20 0 EHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1[nH]nc(C2CC2)c1C ZINC000760318406 1032850289 /nfs/dbraw/zinc/85/02/89/1032850289.db2.gz GBLMOPAPTCRMFH-UHFFFAOYSA-N -1 1 333.457 3.521 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)[nH]nc1C1CC1 ZINC000760322846 1032855048 /nfs/dbraw/zinc/85/50/48/1032855048.db2.gz NLGOUBLBUKBWNB-UHFFFAOYSA-N -1 1 347.484 3.938 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)[nH]nc1C1CC1 ZINC000760322216 1032855944 /nfs/dbraw/zinc/85/59/44/1032855944.db2.gz XVITWHUCRLJOHN-UHFFFAOYSA-N -1 1 349.387 3.590 20 0 EHADMM Oc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1Br ZINC000656271646 1019849538 /nfs/dbraw/zinc/84/95/38/1019849538.db2.gz QKFOOWRNDMPJJH-CQSZACIVSA-N -1 1 340.261 3.688 20 0 EHADMM CCn1c(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])nc2ccccc21 ZINC000580690754 1019865679 /nfs/dbraw/zinc/86/56/79/1019865679.db2.gz JIMOUAVOSIETOM-AUUYWEPGSA-N -1 1 337.423 3.608 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)c(C)o1 ZINC000345183912 1020035095 /nfs/dbraw/zinc/03/50/95/1020035095.db2.gz CNUCKDRCJCEAEI-UHFFFAOYSA-N -1 1 337.445 3.858 20 0 EHADMM O=C([O-])C[C@@H](NCc1cnc(C2CCCC2)s1)c1ccncc1 ZINC000580844537 1020136307 /nfs/dbraw/zinc/13/63/07/1020136307.db2.gz RLDDDCYRILESSU-OAHLLOKOSA-N -1 1 331.441 3.501 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000891337308 1020172717 /nfs/dbraw/zinc/17/27/17/1020172717.db2.gz RIQOZXADEKOPDV-IAGOWNOFSA-N -1 1 339.435 3.824 20 0 EHADMM COC(=O)c1[n-]c(=N[C@@H](C)c2cccc(OC(C)C)c2)sc1C ZINC000434092752 1020239230 /nfs/dbraw/zinc/23/92/30/1020239230.db2.gz KPFVLGMOYXFBDJ-NSHDSACASA-N -1 1 334.441 3.620 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)c1ccc2cc[nH]c2c1 ZINC000280544315 1020471747 /nfs/dbraw/zinc/47/17/47/1020471747.db2.gz KNICQKFWYGFBNX-UHFFFAOYSA-N -1 1 338.411 3.546 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1 ZINC000340882533 1020534862 /nfs/dbraw/zinc/53/48/62/1020534862.db2.gz CDWUGCZKKIJRLF-UHFFFAOYSA-N -1 1 349.452 3.559 20 0 EHADMM CO[C@H](CS(=O)(=O)[N-]c1cncc2ccccc21)C1CCCCC1 ZINC000656626321 1021057628 /nfs/dbraw/zinc/05/76/28/1021057628.db2.gz KKDDHKLVVBBGGW-GOSISDBHSA-N -1 1 348.468 3.572 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780371393 1021096470 /nfs/dbraw/zinc/09/64/70/1021096470.db2.gz XCAKJFMSYMCKLG-UHFFFAOYSA-N -1 1 327.352 3.571 20 0 EHADMM CC(C)[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1 ZINC000439120548 1021164335 /nfs/dbraw/zinc/16/43/35/1021164335.db2.gz RUXTUDUBDHLHQP-KRWDZBQOSA-N -1 1 325.437 3.938 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1 ZINC000349461894 1021218107 /nfs/dbraw/zinc/21/81/07/1021218107.db2.gz PADKZLSAGDRILZ-UHFFFAOYSA-N -1 1 337.466 3.664 20 0 EHADMM Cc1ccnc([N-]S(=O)(=O)Cc2ccccc2Cl)c1C1CC1 ZINC000656740077 1021236405 /nfs/dbraw/zinc/23/64/05/1021236405.db2.gz YVQGTIJHHXIZLN-UHFFFAOYSA-N -1 1 336.844 3.863 20 0 EHADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436818984 1021247130 /nfs/dbraw/zinc/24/71/30/1021247130.db2.gz HEOAOMSXYRMELV-IAQYHMDHSA-N -1 1 325.836 3.617 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427298852 1021289603 /nfs/dbraw/zinc/28/96/03/1021289603.db2.gz HHGGAPMJNBWTBU-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])nn1-c1cc(C)cc(C)c1 ZINC000436869927 1021311898 /nfs/dbraw/zinc/31/18/98/1021311898.db2.gz FUPXFIRMMJETLV-UHFFFAOYSA-N -1 1 339.370 3.895 20 0 EHADMM CC(C)(C)[C@H]1C[C@H](NC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000436875773 1021318236 /nfs/dbraw/zinc/31/82/36/1021318236.db2.gz YZIWHJDECMTKMU-CRAIPNDOSA-N -1 1 327.424 3.869 20 0 EHADMM COc1cc(-c2noc(CC3(C)CC3)n2)cc(Br)c1[O-] ZINC000436878173 1021328296 /nfs/dbraw/zinc/32/82/96/1021328296.db2.gz IUURVSVFEMQTRS-UHFFFAOYSA-N -1 1 339.189 3.556 20 0 EHADMM COc1c2ccccc2[nH]c1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880168 1021328728 /nfs/dbraw/zinc/32/87/28/1021328728.db2.gz PPVCLNJPDQEYMW-UHFFFAOYSA-N -1 1 325.299 3.738 20 0 EHADMM COc1ccc2c(c1)[C@H](c1nc(-c3ccc([O-])c(F)c3)no1)CC2 ZINC000436879828 1021331435 /nfs/dbraw/zinc/33/14/35/1021331435.db2.gz PBSWPBSVJLDKEU-CYBMUJFWSA-N -1 1 326.327 3.668 20 0 EHADMM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc([O-])cc1F ZINC000436887869 1021340383 /nfs/dbraw/zinc/34/03/83/1021340383.db2.gz LOYHPAZGUXBVAR-OAHLLOKOSA-N -1 1 341.304 3.825 20 0 EHADMM Cc1ccc(-c2n[nH]c(NC(=O)c3cc(F)c([O-])c(Cl)c3)n2)cc1 ZINC000436888924 1021342298 /nfs/dbraw/zinc/34/22/98/1021342298.db2.gz VVEQBOLPBXTZPZ-UHFFFAOYSA-N -1 1 346.749 3.531 20 0 EHADMM Cc1cc(CNC(=O)C(=O)c2ccc([O-])cc2)ccc1-c1ccccc1 ZINC000436930457 1021368434 /nfs/dbraw/zinc/36/84/34/1021368434.db2.gz GHMNVZANRLEPFN-UHFFFAOYSA-N -1 1 345.398 3.867 20 0 EHADMM CCOCc1ccccc1-c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000436914525 1021370602 /nfs/dbraw/zinc/37/06/02/1021370602.db2.gz ZJTTUQJHIAJPRR-UHFFFAOYSA-N -1 1 326.352 3.654 20 0 EHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(Cc2ccncn2)no1 ZINC000436923846 1021381823 /nfs/dbraw/zinc/38/18/23/1021381823.db2.gz AUDSWHOHFDYXKT-UHFFFAOYSA-N -1 1 346.346 3.615 20 0 EHADMM COc1ccc(-c2nc([C@@H](OC)c3ccccc3Cl)no2)c([O-])c1 ZINC000436951213 1021394670 /nfs/dbraw/zinc/39/46/70/1021394670.db2.gz FLNUWDCJPIFYLU-HNNXBMFYSA-N -1 1 346.770 3.840 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc(-c2ccncc2)cs1 ZINC000436973384 1021428287 /nfs/dbraw/zinc/42/82/87/1021428287.db2.gz SHMPCWOBAQBIRZ-SNVBAGLBSA-N -1 1 343.383 3.541 20 0 EHADMM CCCCOc1ccc(C(=O)N2CCc3cc(OC)ccc32)c([O-])c1 ZINC000436974959 1021430758 /nfs/dbraw/zinc/43/07/58/1021430758.db2.gz DSKHRDMXOCZJOU-UHFFFAOYSA-N -1 1 341.407 3.783 20 0 EHADMM CCc1nc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)[n-]c(=O)c1C ZINC000516492663 1021475009 /nfs/dbraw/zinc/47/50/09/1021475009.db2.gz RCBBTHDFBHWEGC-SNVBAGLBSA-N -1 1 342.424 3.555 20 0 EHADMM O=S(=O)([N-]c1cc(F)ccc1F)c1csc2ccccc21 ZINC000506594677 1021504598 /nfs/dbraw/zinc/50/45/98/1021504598.db2.gz MXCSFIJYNBGOEQ-UHFFFAOYSA-N -1 1 325.361 3.980 20 0 EHADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cnc2ccsc2c1 ZINC000439562894 1021560442 /nfs/dbraw/zinc/56/04/42/1021560442.db2.gz AATXBYMSIJDSOI-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM [O-]c1c(Br)cccc1CNc1ccc(-n2ccnc2)cc1 ZINC000155930792 1021738822 /nfs/dbraw/zinc/73/88/22/1021738822.db2.gz KSSCPAQZPPMZMU-UHFFFAOYSA-N -1 1 344.212 3.953 20 0 EHADMM COc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc(Cl)c1[O-] ZINC000437395907 1021793702 /nfs/dbraw/zinc/79/37/02/1021793702.db2.gz VVJZSUXNNQQWBP-UMSPYCQHSA-N -1 1 349.789 3.869 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1cc2ccccc2o1 ZINC000516951786 1021883569 /nfs/dbraw/zinc/88/35/69/1021883569.db2.gz FSAJQGOJTJEZRD-GFCCVEGCSA-N -1 1 329.368 3.537 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1Cl ZINC000188262302 1021963011 /nfs/dbraw/zinc/96/30/11/1021963011.db2.gz QHBHLWHPMCEHMQ-UHFFFAOYSA-N -1 1 343.857 3.871 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(F)cc(Br)c1 ZINC000093996292 1022065859 /nfs/dbraw/zinc/06/58/59/1022065859.db2.gz SYQGAMMAHBAZEC-AWEZNQCLSA-N -1 1 344.224 3.808 20 0 EHADMM CCc1nc(CNCc2cccc(-c3ccncc3)c2)ccc1C(=O)[O-] ZINC000426648259 1022150454 /nfs/dbraw/zinc/15/04/54/1022150454.db2.gz QIMRGFIPDHEUEY-UHFFFAOYSA-N -1 1 347.418 3.694 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000073632198 1022155898 /nfs/dbraw/zinc/15/58/98/1022155898.db2.gz XBMLNDXAVMKHFE-UHFFFAOYSA-N -1 1 346.235 3.941 20 0 EHADMM O=S(=O)([N-]Cc1cccs1)c1ccc(Cl)c(F)c1Cl ZINC000473905424 1022255906 /nfs/dbraw/zinc/25/59/06/1022255906.db2.gz CUMBGFNWJLWRTL-UHFFFAOYSA-N -1 1 340.228 3.673 20 0 EHADMM CCCCCOc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1 ZINC000112496696 1022257214 /nfs/dbraw/zinc/25/72/14/1022257214.db2.gz ANTSCBUXAFIWRO-UHFFFAOYSA-N -1 1 334.441 3.760 20 0 EHADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](c2ccccc2)O1 ZINC000143569866 1033049186 /nfs/dbraw/zinc/04/91/86/1033049186.db2.gz FIRPHPJYGPMJDK-SJCJKPOMSA-N -1 1 331.799 3.648 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000425996352 1022633818 /nfs/dbraw/zinc/63/38/18/1022633818.db2.gz PAQPFSIDYHEHJO-UHFFFAOYSA-N -1 1 349.839 3.968 20 0 EHADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000426009656 1022660712 /nfs/dbraw/zinc/66/07/12/1022660712.db2.gz YDHVYIBVBOCSSG-UHFFFAOYSA-N -1 1 335.400 3.855 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2)CCCC1)c1cccc(F)c1F ZINC000506255362 1022721402 /nfs/dbraw/zinc/72/14/02/1022721402.db2.gz RPQDLJOHKLHFFZ-UHFFFAOYSA-N -1 1 337.391 3.713 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000334064694 1022843302 /nfs/dbraw/zinc/84/33/02/1022843302.db2.gz ORNMZTBFCULTGX-GXTWGEPZSA-N -1 1 333.476 3.734 20 0 EHADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000476245558 1033083540 /nfs/dbraw/zinc/08/35/40/1033083540.db2.gz GRVWODBYMKPDSQ-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1Br ZINC000438791345 1023008282 /nfs/dbraw/zinc/00/82/82/1023008282.db2.gz GNAULPOOXSPJKJ-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438810890 1023021631 /nfs/dbraw/zinc/02/16/31/1023021631.db2.gz OCSBUDBXGDMWKV-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc3ccccc3o2)c1 ZINC000426780333 1023041248 /nfs/dbraw/zinc/04/12/48/1023041248.db2.gz QQNSSKNNUGIYEX-QGZVFWFLSA-N -1 1 325.364 3.747 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(-c2ccccn2)c1)c1ccccc1F ZINC000426767927 1023044297 /nfs/dbraw/zinc/04/42/97/1023044297.db2.gz SBOHHGWYBJRGLP-LJQANCHMSA-N -1 1 336.366 3.803 20 0 EHADMM Cc1cc(OC(C)C)ccc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000843772962 1023049096 /nfs/dbraw/zinc/04/90/96/1023049096.db2.gz FVEJPFYCZMBTBY-UHFFFAOYSA-N -1 1 343.427 3.962 20 0 EHADMM COc1ccc([C@H](NCc2ccc(Cl)cc2F)C(=O)[O-])cc1F ZINC000426829586 1023059455 /nfs/dbraw/zinc/05/94/55/1023059455.db2.gz QECQJWYUHZXFNX-HNNXBMFYSA-N -1 1 341.741 3.542 20 0 EHADMM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000091991614 1023201506 /nfs/dbraw/zinc/20/15/06/1023201506.db2.gz MHHYZNFQHJUOTJ-UHFFFAOYSA-N -1 1 345.370 3.668 20 0 EHADMM CCc1nc(S[C@@H](CC)C(=O)c2ccc(OC)cc2)[n-]c(=O)c1C ZINC000564471144 1023477154 /nfs/dbraw/zinc/47/71/54/1023477154.db2.gz NJLMDQIGLCROSU-HNNXBMFYSA-N -1 1 346.452 3.815 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2NC(C)(C)C)c1 ZINC000277052095 1023724962 /nfs/dbraw/zinc/72/49/62/1023724962.db2.gz BEIPSTNYJAXFKV-UHFFFAOYSA-N -1 1 341.411 3.813 20 0 EHADMM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1(F)F ZINC000657158713 1023822247 /nfs/dbraw/zinc/82/22/47/1023822247.db2.gz HVFSKEYMQIKWRQ-LLVKDONJSA-N -1 1 344.210 3.707 20 0 EHADMM CCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1F ZINC000443462978 1024000246 /nfs/dbraw/zinc/00/02/46/1024000246.db2.gz SMFIJUQWPSHUQU-UHFFFAOYSA-N -1 1 333.306 3.606 20 0 EHADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 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CCc1cc(=O)[n-]c(S[C@H](C)c2nnc(-c3cccs3)o2)n1 ZINC000436201616 1025455968 /nfs/dbraw/zinc/45/59/68/1025455968.db2.gz BEKQDGLMDAQJAM-MRVPVSSYSA-N -1 1 334.426 3.709 20 0 EHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000436192198 1025464880 /nfs/dbraw/zinc/46/48/80/1025464880.db2.gz SITORTDBQLVFAB-UHFFFAOYSA-N -1 1 326.421 3.766 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000442957377 1025614836 /nfs/dbraw/zinc/61/48/36/1025614836.db2.gz NOTUUCQMMWXCJT-OCCSQVGLSA-N -1 1 325.836 3.999 20 0 EHADMM COc1cc(C(=O)NC[C@H](C)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000442980456 1025644214 /nfs/dbraw/zinc/64/42/14/1025644214.db2.gz HRWJFKVXVABCFL-LBPRGKRZSA-N -1 1 333.815 3.896 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)c1C ZINC000436474899 1025766926 /nfs/dbraw/zinc/76/69/26/1025766926.db2.gz ABPXICOBGHSSMN-UHFFFAOYSA-N -1 1 345.342 3.829 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000436477222 1025772831 /nfs/dbraw/zinc/77/28/31/1025772831.db2.gz 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CCOc1cc(-c2noc(C3CCC(=O)CC3)n2)cc(Cl)c1[O-] ZINC000445413336 1028757986 /nfs/dbraw/zinc/75/79/86/1028757986.db2.gz TVXCKUJZEGIKTF-UHFFFAOYSA-N -1 1 336.775 3.721 20 0 EHADMM CCCCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445397504 1028760971 /nfs/dbraw/zinc/76/09/71/1028760971.db2.gz IQPPXKCUVHIHAF-UHFFFAOYSA-N -1 1 327.178 3.556 20 0 EHADMM [O-]c1ccc(-c2noc(CCOc3ccc(F)cc3)n2)c(Cl)c1 ZINC000445448643 1028780300 /nfs/dbraw/zinc/78/03/00/1028780300.db2.gz WMGVUDCDUGVKFR-UHFFFAOYSA-N -1 1 334.734 3.856 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cccc(-n4ccnc4)c3)n2)c(Cl)c1 ZINC000445450172 1028785635 /nfs/dbraw/zinc/78/56/35/1028785635.db2.gz RLZYFNYMQOJWHQ-UHFFFAOYSA-N -1 1 338.754 3.948 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCCOc2ccc(F)cc2)[n-]1 ZINC000524032570 1028795471 /nfs/dbraw/zinc/79/54/71/1028795471.db2.gz XENXQFUMOCHEKP-UHFFFAOYSA-N -1 1 334.294 3.511 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C\c3ccc(-n4ccnc4)cc3)n2)c(F)c1 ZINC000445464209 1028809454 /nfs/dbraw/zinc/80/94/54/1028809454.db2.gz SMDPGQDWJZTNTR-BAQGIRSFSA-N -1 1 348.337 3.937 20 0 EHADMM COc1cccc([C@@H]2C[C@H]2c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445472343 1028818737 /nfs/dbraw/zinc/81/87/37/1028818737.db2.gz KIMDGHZSEYHMHN-UONOGXRCSA-N -1 1 326.327 3.861 20 0 EHADMM Cc1oc(-c2ccco2)nc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445460806 1028829565 /nfs/dbraw/zinc/82/95/65/1028829565.db2.gz CLCZWNZTJFBVKN-UHFFFAOYSA-N -1 1 341.298 3.729 20 0 EHADMM [O-]c1ccc(-c2noc(-c3occc3Br)n2)cc1F ZINC000445478728 1028838710 /nfs/dbraw/zinc/83/87/10/1028838710.db2.gz FQTKLTXGMAJMPC-UHFFFAOYSA-N -1 1 325.093 3.604 20 0 EHADMM Cc1cnn(-c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)c1 ZINC000445478869 1028838933 /nfs/dbraw/zinc/83/89/33/1028838933.db2.gz SQRZXUKDQBQWQZ-UHFFFAOYSA-N -1 1 336.326 3.742 20 0 EHADMM CC1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCCC1 ZINC000524148946 1028910228 /nfs/dbraw/zinc/91/02/28/1028910228.db2.gz UHGUZUHILCTEKD-UHFFFAOYSA-N -1 1 341.782 3.970 20 0 EHADMM CC(C)c1ccc(-c2noc(CN3CCC[C@@H](CC(=O)[O-])C3)n2)cc1 ZINC000532881574 1028969390 /nfs/dbraw/zinc/96/93/90/1028969390.db2.gz NLNZITLOJPIHAB-AWEZNQCLSA-N -1 1 343.427 3.547 20 0 EHADMM CCC[C@@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3n2CC)C1 ZINC000583149469 1029003985 /nfs/dbraw/zinc/00/39/85/1029003985.db2.gz QZYOPLMCGVHNLZ-CQSZACIVSA-N -1 1 329.444 3.767 20 0 EHADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000524346650 1029094093 /nfs/dbraw/zinc/09/40/93/1029094093.db2.gz FZDDKIXRICRVDN-UHFFFAOYSA-N -1 1 329.425 3.796 20 0 EHADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(F)(F)F ZINC001211570067 1029252717 /nfs/dbraw/zinc/25/27/17/1029252717.db2.gz OECZMNSVIOPHOC-NSHDSACASA-N -1 1 343.436 3.911 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@]3(C)CC3(F)F)nc2)[n-]c(=O)c1C ZINC000664398925 1029265179 /nfs/dbraw/zinc/26/51/79/1029265179.db2.gz MFNGRFHKSLXVMB-MRXNPFEDSA-N -1 1 334.370 3.708 20 0 EHADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000524853789 1029567697 /nfs/dbraw/zinc/56/76/97/1029567697.db2.gz JRRMICRVZZJFSG-LLVKDONJSA-N -1 1 341.436 3.719 20 0 EHADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000583290188 1029573358 /nfs/dbraw/zinc/57/33/58/1029573358.db2.gz LXDCAADBKLTVNI-JSGCOSHPSA-N -1 1 331.362 3.764 20 0 EHADMM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000648584980 1029626880 /nfs/dbraw/zinc/62/68/80/1029626880.db2.gz LRGAKQCIOALGAQ-DIFFPNOSSA-N -1 1 349.789 3.787 20 0 EHADMM O=C(Cc1ccccc1F)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000536043030 1029884998 /nfs/dbraw/zinc/88/49/98/1029884998.db2.gz CSROFTORKMXOPP-UHFFFAOYSA-N -1 1 335.791 3.534 20 0 EHADMM Cc1cc(NCc2ncc(Br)cc2[O-])ccc1N(C)C ZINC000892340680 1029968485 /nfs/dbraw/zinc/96/84/85/1029968485.db2.gz PNHUBTQZSQWRSQ-UHFFFAOYSA-N -1 1 336.233 3.536 20 0 EHADMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc2ccccc21 ZINC000899967857 1029999920 /nfs/dbraw/zinc/99/99/20/1029999920.db2.gz YKTZPRBRGKWNOM-LBPRGKRZSA-N -1 1 333.391 3.704 20 0 EHADMM CCC(CC)N1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CC1=O ZINC000278332262 1030214809 /nfs/dbraw/zinc/21/48/09/1030214809.db2.gz ZUGBXABPJVMIDX-JTQLQIEISA-N -1 1 349.818 3.600 20 0 EHADMM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000532212391 1030480869 /nfs/dbraw/zinc/48/08/69/1030480869.db2.gz IJFWLIISACQTSC-UHFFFAOYSA-N -1 1 329.421 3.571 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000447790529 1030491272 /nfs/dbraw/zinc/49/12/72/1030491272.db2.gz XTMURRQZGPHDCJ-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2)cccc1C(F)(F)F ZINC000122226388 1030533218 /nfs/dbraw/zinc/53/32/18/1030533218.db2.gz UGNTVSHPLWPPND-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM C[C@]1(CNC(=O)c2c(F)ccc([O-])c2F)CCCc2ccccc21 ZINC000583720373 1030534737 /nfs/dbraw/zinc/53/47/37/1030534737.db2.gz FTYBNBLSFNELLC-LJQANCHMSA-N -1 1 331.362 3.694 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCc2sccc21)c1cc2ccccc2o1 ZINC000546635675 1030696961 /nfs/dbraw/zinc/69/69/61/1030696961.db2.gz VHSKDFNPMGSBSB-CYBMUJFWSA-N -1 1 333.434 3.850 20 0 EHADMM COc1cc(C(=O)N2CCc3cccc(F)c3[C@H]2C)cc(Cl)c1[O-] ZINC000527487273 1030908289 /nfs/dbraw/zinc/90/82/89/1030908289.db2.gz GKRDTJDICCPMGD-SNVBAGLBSA-N -1 1 349.789 3.953 20 0 EHADMM COc1cc(C(=O)Nc2cncc3ccccc32)cc(Cl)c1[O-] ZINC000527487078 1030909414 /nfs/dbraw/zinc/90/94/14/1030909414.db2.gz GKJDISGITQGGPO-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2coc(-c3cccnc3)n2)s1 ZINC000666969193 1031114296 /nfs/dbraw/zinc/11/42/96/1031114296.db2.gz IUUIEAJEGWJKJK-UHFFFAOYSA-N -1 1 343.412 3.744 20 0 EHADMM Cc1oc2ncnc([N-]C(=O)c3c(F)c(F)cc(F)c3F)c2c1C ZINC000175618654 1031355701 /nfs/dbraw/zinc/35/57/01/1031355701.db2.gz CABRFUWDTALNMS-UHFFFAOYSA-N -1 1 339.248 3.648 20 0 EHADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc(F)c(F)c1F ZINC000176866072 1031498189 /nfs/dbraw/zinc/49/81/89/1031498189.db2.gz IXUDOUQZRDSUDB-UHFFFAOYSA-N -1 1 341.339 3.936 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2nc3ccccc3o2)CC1 ZINC000176949298 1031505526 /nfs/dbraw/zinc/50/55/26/1031505526.db2.gz 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EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCC)cc2C)[n-]c1=O ZINC000594695459 1033512270 /nfs/dbraw/zinc/51/22/70/1033512270.db2.gz HRXQLTXEFIYIJR-LCYFTJDESA-N -1 1 342.395 3.627 20 0 EHADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)c2ccccc2n1 ZINC000685538048 1033513801 /nfs/dbraw/zinc/51/38/01/1033513801.db2.gz OWTGZOIRMXIBCM-UHFFFAOYSA-N -1 1 327.771 3.968 20 0 EHADMM O=C(CSc1nc2ccccc2[nH]1)Nc1ccc([O-])c(Cl)c1 ZINC000509165521 1033583392 /nfs/dbraw/zinc/58/33/92/1033583392.db2.gz KHFADDFTUYKJHF-UHFFFAOYSA-N -1 1 333.800 3.653 20 0 EHADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(OC)cc2F)cc1 ZINC000574992374 1033755255 /nfs/dbraw/zinc/75/52/55/1033755255.db2.gz HCMNJIJHZNSQGX-GOSISDBHSA-N -1 1 347.386 3.539 20 0 EHADMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3cccs3)[nH]n2)cc1C ZINC000612038079 1033934477 /nfs/dbraw/zinc/93/44/77/1033934477.db2.gz YXTNJLQPGKFQHF-UHFFFAOYSA-N -1 1 347.465 3.864 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456082714 1034104908 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CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC000530005518 1034872095 /nfs/dbraw/zinc/87/20/95/1034872095.db2.gz LVZNOLLPRYGUDD-UHFFFAOYSA-N -1 1 344.386 3.560 20 0 EHADMM O=C([O-])C[C@H]1CCCN1Cc1cc(Br)ccc1Cl ZINC000300518273 1034914734 /nfs/dbraw/zinc/91/47/34/1034914734.db2.gz UDXSBZIANOUDFA-LLVKDONJSA-N -1 1 332.625 3.542 20 0 EHADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ncc3ccccc3c2[O-])n1 ZINC000612524896 1035029332 /nfs/dbraw/zinc/02/93/32/1035029332.db2.gz YSTUJSJOVRPGAJ-KRWDZBQOSA-N -1 1 333.391 3.621 20 0 EHADMM CC(C)c1[nH]ccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376061239 1035202390 /nfs/dbraw/zinc/20/23/90/1035202390.db2.gz GAHAZZZNSAPHPI-UHFFFAOYSA-N -1 1 340.423 3.579 20 0 EHADMM CCn1c(CSc2nc(C)c(C)c(=O)[n-]2)nc2cc(F)ccc21 ZINC000540711718 1035616071 /nfs/dbraw/zinc/61/60/71/1035616071.db2.gz FMRDFDWTFQMAHS-UHFFFAOYSA-N -1 1 332.404 3.600 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](CC)c2nccs2)cc(Cl)c1[O-] ZINC000186824732 1035711748 /nfs/dbraw/zinc/71/17/48/1035711748.db2.gz MZJLRYXSTHWJTA-NSHDSACASA-N -1 1 340.832 3.782 20 0 EHADMM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463688090 1035740711 /nfs/dbraw/zinc/74/07/11/1035740711.db2.gz UDKNRDSOZKDGPU-JTQLQIEISA-N -1 1 345.798 3.528 20 0 EHADMM CCOc1cc(C(=O)Nc2cc(F)ccc2O)cc(Cl)c1[O-] ZINC000186960790 1035754457 /nfs/dbraw/zinc/75/44/57/1035754457.db2.gz JVMAUJHVENUPGG-UHFFFAOYSA-N -1 1 325.723 3.541 20 0 EHADMM C[C@H]1C[C@H](CC(=O)NCc2n[n-]c(=S)n2C2CC2)CC(C)(C)C1 ZINC000066637475 1036100557 /nfs/dbraw/zinc/10/05/57/1036100557.db2.gz WMIHPWQVNKACEQ-NWDGAFQWSA-N -1 1 336.505 3.744 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(OC(C)C)c(F)c1 ZINC000541305948 1036174609 /nfs/dbraw/zinc/17/46/09/1036174609.db2.gz GBKRUZFHWROGSK-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM O=C([O-])C[C@@H](NCc1cscc1Br)c1cccs1 ZINC000310771259 1036185662 /nfs/dbraw/zinc/18/56/62/1036185662.db2.gz UAYRMMNSRPGRJQ-SNVBAGLBSA-N -1 1 346.271 3.878 20 0 EHADMM CS[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)C(C)(C)C ZINC000464216445 1036231679 /nfs/dbraw/zinc/23/16/79/1036231679.db2.gz VBWIFJPYFZYSPU-NSHDSACASA-N -1 1 339.885 3.535 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000464410365 1036416608 /nfs/dbraw/zinc/41/66/08/1036416608.db2.gz IZJVQVMUTGCLOH-UHFFFAOYSA-N -1 1 347.864 3.797 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1c(F)cccc1Cl ZINC000464405917 1036429671 /nfs/dbraw/zinc/42/96/71/1036429671.db2.gz UGEJKUBUGQRWPX-UHFFFAOYSA-N -1 1 343.782 3.586 20 0 EHADMM O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1ccccc1 ZINC000175775669 1036556002 /nfs/dbraw/zinc/55/60/02/1036556002.db2.gz DFZHETXVFSNHPC-UHFFFAOYSA-N -1 1 329.343 3.982 20 0 EHADMM CC(C)=CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931758 1036613878 /nfs/dbraw/zinc/61/38/78/1036613878.db2.gz OKFGNGVXFSUJPB-UHFFFAOYSA-N -1 1 348.399 3.531 20 0 EHADMM CC(C)(C)n1nnc(C(=O)[N-]c2ccccc2SC2CCCC2)n1 ZINC000666249738 1036622771 /nfs/dbraw/zinc/62/27/71/1036622771.db2.gz IRIOESFRRVIUJK-UHFFFAOYSA-N -1 1 345.472 3.715 20 0 EHADMM O=C(Nc1ncsc1C1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000914119020 1036675934 /nfs/dbraw/zinc/67/59/34/1036675934.db2.gz LNEITLZYCPPDRB-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM [O-]c1c(Cl)cc(CN2CCC3(C[C@@H](F)CO3)CC2)cc1Cl ZINC001140833047 1036723169 /nfs/dbraw/zinc/72/31/69/1036723169.db2.gz NVHXIGRCMYWJTL-LLVKDONJSA-N -1 1 334.218 3.792 20 0 EHADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2)n1 ZINC000177017883 1036750527 /nfs/dbraw/zinc/75/05/27/1036750527.db2.gz ZLHHBPSADGOTSC-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM CCOc1cc(C(=O)N[C@H](C)c2ccsc2)cc(Cl)c1[O-] ZINC000669918246 1036797689 /nfs/dbraw/zinc/79/76/89/1036797689.db2.gz CCGOXRGUFXNNCQ-SECBINFHSA-N -1 1 325.817 3.997 20 0 EHADMM CC(C)(CC(F)(F)F)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000666313801 1036813554 /nfs/dbraw/zinc/81/35/54/1036813554.db2.gz FEABFSCPTQAPFB-UHFFFAOYSA-N -1 1 327.306 3.699 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc(F)cc2OC)cc(Cl)c1[O-] ZINC000186577190 1036885594 /nfs/dbraw/zinc/88/55/94/1036885594.db2.gz RRMVNQBGYVXDCM-UHFFFAOYSA-N -1 1 339.750 3.844 20 0 EHADMM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1cccn1C ZINC000414368220 1037038333 /nfs/dbraw/zinc/03/83/33/1037038333.db2.gz CGBXAZTVRSQEGQ-UHFFFAOYSA-N -1 1 338.498 3.776 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000053166054 1037052801 /nfs/dbraw/zinc/05/28/01/1037052801.db2.gz HFSBBINBPKUZPR-UHFFFAOYSA-N -1 1 328.397 3.788 20 0 EHADMM Cc1cccc(CC2CN(C(=O)c3ncc4ccccc4c3[O-])C2)c1 ZINC001167702579 1037140175 /nfs/dbraw/zinc/14/01/75/1037140175.db2.gz YKXPYOVWQAWUJP-UHFFFAOYSA-N -1 1 332.403 3.564 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)ccc1F ZINC000105590960 1037218265 /nfs/dbraw/zinc/21/82/65/1037218265.db2.gz VLAGZJSZBDOWAF-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM COc1ccc(F)c(CN2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC000666586670 1037259903 /nfs/dbraw/zinc/25/99/03/1037259903.db2.gz SQVAHGRZFKKYGR-UHFFFAOYSA-N -1 1 343.398 3.912 20 0 EHADMM CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccn1 ZINC000913675926 1037555574 /nfs/dbraw/zinc/55/55/74/1037555574.db2.gz VKPBDRCREHKLFW-HNNXBMFYSA-N -1 1 338.329 3.933 20 0 EHADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000152696001 1037557617 /nfs/dbraw/zinc/55/76/17/1037557617.db2.gz PCEYSBJXNBXTDW-UHFFFAOYSA-N -1 1 345.420 3.590 20 0 EHADMM C[C@H]1CCN(C(=O)c2csc(=NC3CC3)[n-]2)CC12CCCCC2 ZINC000463163943 1037812600 /nfs/dbraw/zinc/81/26/00/1037812600.db2.gz UNVBLHRUMVKFKP-ZDUSSCGKSA-N -1 1 333.501 3.572 20 0 EHADMM CCC[C@H](C(=O)Nc1nc(C(=O)OCC)c[n-]1)c1cccc(Cl)c1 ZINC001272341086 1038123241 /nfs/dbraw/zinc/12/32/41/1038123241.db2.gz BFGDNIZQQFGSKP-ZDUSSCGKSA-N -1 1 349.818 3.762 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1c1ccccn1 ZINC000536533138 1038275344 /nfs/dbraw/zinc/27/53/44/1038275344.db2.gz SHHUVLLMXDPNBH-AWEZNQCLSA-N -1 1 347.212 3.527 20 0 EHADMM CCc1csc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000910716624 1039054749 /nfs/dbraw/zinc/05/47/49/1039054749.db2.gz DSXPGBMFRASIGB-QMMMGPOBSA-N -1 1 340.832 3.564 20 0 EHADMM CC[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccccn1 ZINC000911146078 1039259162 /nfs/dbraw/zinc/25/91/62/1039259162.db2.gz OWTLKLJYNZFGHK-CYBMUJFWSA-N -1 1 326.293 3.719 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)COc3cccc(Cl)c3)[nH][n-]2)s1 ZINC000500854761 1039576816 /nfs/dbraw/zinc/57/68/16/1039576816.db2.gz BMXFEZFZKNBNSW-UHFFFAOYSA-N -1 1 347.827 3.539 20 0 EHADMM Cc1cccc(CO[N-]C(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)n1 ZINC000898930836 1039733837 /nfs/dbraw/zinc/73/38/37/1039733837.db2.gz NWKLTBQHYLWBIF-HNNXBMFYSA-N -1 1 340.423 3.580 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1F ZINC000479308160 1040112273 /nfs/dbraw/zinc/11/22/73/1040112273.db2.gz OJCVNTNMRMAFBN-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM CC(C)(C)Nc1ccccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907665480 1040122047 /nfs/dbraw/zinc/12/20/47/1040122047.db2.gz CYNQZSFLGJWLFR-UHFFFAOYSA-N -1 1 326.400 3.522 20 0 EHADMM COC(=O)c1[n-]c(=N[C@H](C)c2ccc(OC(C)C)cc2)sc1C ZINC000555150192 1040219061 /nfs/dbraw/zinc/21/90/61/1040219061.db2.gz BOINKOOIIJJLEA-LLVKDONJSA-N -1 1 334.441 3.620 20 0 EHADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000500004963 1040294562 /nfs/dbraw/zinc/29/45/62/1040294562.db2.gz LWROQOMUXADZII-HWPZZCPQSA-N -1 1 346.224 3.818 20 0 EHADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc4ncsc4c3)ccc2[nH]1 ZINC000479490660 1040295367 /nfs/dbraw/zinc/29/53/67/1040295367.db2.gz QFMMWUQZXYUDFF-UHFFFAOYSA-N -1 1 343.433 3.887 20 0 EHADMM C[C@@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCCO1 ZINC000908155024 1040302018 /nfs/dbraw/zinc/30/20/18/1040302018.db2.gz GLFJLLSJPDMSIE-RDDDGLTNSA-N -1 1 348.624 3.562 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1c(Cl)cccc1Cl ZINC000429912258 1040578101 /nfs/dbraw/zinc/57/81/01/1040578101.db2.gz VPSQYUACBSUOGH-QMMMGPOBSA-N -1 1 344.210 3.707 20 0 EHADMM CNC(=O)[C@@H]1CCCc2sc(/C=C\c3ccc([O-])c(Cl)c3)nc21 ZINC000555463663 1040628048 /nfs/dbraw/zinc/62/80/48/1040628048.db2.gz NYDUENTTZABJRU-BPOWMSRESA-N -1 1 348.855 3.838 20 0 EHADMM CN(C)c1ccc2cc(NC(=O)c3cnc(C4CC4)[n-]c3=O)ccc2c1 ZINC000908776780 1040633494 /nfs/dbraw/zinc/63/34/94/1040633494.db2.gz UBXSWZDKBJEYKA-UHFFFAOYSA-N -1 1 348.406 3.531 20 0 EHADMM CCOc1ccc(F)c(Nc2ncc(F)cc2[O-])c1Br ZINC001211756971 1040653529 /nfs/dbraw/zinc/65/35/29/1040653529.db2.gz ROSCAVBHDXOYCR-UHFFFAOYSA-N -1 1 345.143 3.970 20 0 EHADMM CCOC(=O)C1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCC1 ZINC000600135016 1040703743 /nfs/dbraw/zinc/70/37/43/1040703743.db2.gz ARFOFWXUWWIWIQ-UHFFFAOYSA-N -1 1 347.798 3.871 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000187455472 1040840034 /nfs/dbraw/zinc/84/00/34/1040840034.db2.gz LKHVQJAYKXYEKA-SNVBAGLBSA-N -1 1 337.753 3.954 20 0 EHADMM CC[C@@H](C)[C@@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000126215145 1040927590 /nfs/dbraw/zinc/92/75/90/1040927590.db2.gz GFPXFCZDWKSRMM-ZIAGYGMSSA-N -1 1 346.500 3.857 20 0 EHADMM O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cc([O-])c(F)cc1F ZINC000909975383 1041088206 /nfs/dbraw/zinc/08/82/06/1041088206.db2.gz PNOJMRKPERHCCV-UHFFFAOYSA-N -1 1 345.345 3.761 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)C1CC(OCc2ccccc2)C1 ZINC000909983330 1041108210 /nfs/dbraw/zinc/10/82/10/1041108210.db2.gz UVFBCPKPXYAGTG-UHFFFAOYSA-N -1 1 333.334 3.604 20 0 EHADMM CC1(C)C[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)c2ccccc2O1 ZINC000909987761 1041122232 /nfs/dbraw/zinc/12/22/32/1041122232.db2.gz GDPLWYDINIDNDE-LLVKDONJSA-N -1 1 333.334 3.954 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000759924824 1041875692 /nfs/dbraw/zinc/87/56/92/1041875692.db2.gz HHCTWLOTRDRZOR-UHFFFAOYSA-N -1 1 339.439 3.548 20 0 EHADMM COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1OC(C)C ZINC000343876905 1042104979 /nfs/dbraw/zinc/10/49/79/1042104979.db2.gz SWUKCUPNWCLSPP-UHFFFAOYSA-N -1 1 337.322 3.719 20 0 EHADMM CCOc1ccc(-c2csc(NC(=O)c3cncc([O-])c3)n2)cc1 ZINC000111569519 1042411793 /nfs/dbraw/zinc/41/17/93/1042411793.db2.gz AFPWJZOSIFJURJ-UHFFFAOYSA-N -1 1 341.392 3.562 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000432269164 1042453088 /nfs/dbraw/zinc/45/30/88/1042453088.db2.gz IQPPNHHKYJTDDF-CYBMUJFWSA-N -1 1 347.358 3.603 20 0 EHADMM CCN(CCC(F)(F)F)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000652405565 1042458644 /nfs/dbraw/zinc/45/86/44/1042458644.db2.gz RXIYCHIHJCYNHW-UHFFFAOYSA-N -1 1 342.317 3.814 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000185602054 1042635967 /nfs/dbraw/zinc/63/59/67/1042635967.db2.gz XGPMZPQCTHADEF-INIZCTEOSA-N -1 1 345.826 3.519 20 0 EHADMM COC(=O)c1scc(C)c1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000186878751 1042719919 /nfs/dbraw/zinc/71/99/19/1042719919.db2.gz LESKPNNZUCAYHU-UHFFFAOYSA-N -1 1 342.376 3.750 20 0 EHADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000007056176 1042845809 /nfs/dbraw/zinc/84/58/09/1042845809.db2.gz GUDWUQGRWMDNGB-UHFFFAOYSA-N -1 1 347.436 3.788 20 0 EHADMM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666345 1042992173 /nfs/dbraw/zinc/99/21/73/1042992173.db2.gz MQZWUKOZYTWJLN-UHFFFAOYSA-N -1 1 335.835 3.696 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1c(F)cccc1Cl ZINC000153516165 1125510602 /nfs/dbraw/zinc/51/06/02/1125510602.db2.gz YCOBIGLJDBKHTI-UHFFFAOYSA-N -1 1 343.811 3.661 20 0 EHADMM COc1cc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000153939309 1125677115 /nfs/dbraw/zinc/67/71/15/1125677115.db2.gz FJXGLULRDONNDC-VXGBXAGGSA-N -1 1 333.815 3.976 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)n[nH]1 ZINC000154103846 1125692889 /nfs/dbraw/zinc/69/28/89/1125692889.db2.gz UUHCCQLWVKEASA-SNVBAGLBSA-N -1 1 343.399 3.533 20 0 EHADMM C[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N1CCCCCC1 ZINC000154723356 1125751547 /nfs/dbraw/zinc/75/15/47/1125751547.db2.gz MSMDOBGYXQHRBD-SNVBAGLBSA-N -1 1 331.243 3.902 20 0 EHADMM Cc1cnc([C@H](NCc2cc(=O)oc3cc([O-])ccc23)C2CC2)s1 ZINC000185346989 1126874363 /nfs/dbraw/zinc/87/43/63/1126874363.db2.gz RRFVJUCWWBRTKT-QGZVFWFLSA-N -1 1 342.420 3.504 20 0 EHADMM CCOc1cc(-c2nc(-c3c(C)noc3C)no2)cc(Cl)c1[O-] ZINC000351165395 1127149524 /nfs/dbraw/zinc/14/95/24/1127149524.db2.gz FXIWXIJSDBCGLP-UHFFFAOYSA-N -1 1 335.747 3.766 20 0 EHADMM Cc1nc(COC(C)(C)C)oc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000351511884 1127180697 /nfs/dbraw/zinc/18/06/97/1127180697.db2.gz ODYDFKLWRLQCIK-UHFFFAOYSA-N -1 1 347.346 3.860 20 0 EHADMM CC(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Cl ZINC000182798731 1127348440 /nfs/dbraw/zinc/34/84/40/1127348440.db2.gz CDITVJICROEBFM-UHFFFAOYSA-N -1 1 340.766 3.636 20 0 EHADMM CC(C)c1ccccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195085342 1127473706 /nfs/dbraw/zinc/47/37/06/1127473706.db2.gz GGXVXUUKNPMEKZ-UHFFFAOYSA-N -1 1 343.452 3.914 20 0 EHADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1 ZINC000764542236 1127504673 /nfs/dbraw/zinc/50/46/73/1127504673.db2.gz RKBRJVUZSDRTGL-UHFFFAOYSA-N -1 1 338.404 3.591 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2csc3ccccc32)[nH]n1 ZINC000671660491 1127765141 /nfs/dbraw/zinc/76/51/41/1127765141.db2.gz OYIJQVRPBIKLQP-UHFFFAOYSA-N -1 1 335.454 3.723 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000032098389 1127846482 /nfs/dbraw/zinc/84/64/82/1127846482.db2.gz LQAHUSXRXTUBNP-UHFFFAOYSA-N -1 1 347.436 3.617 20 0 EHADMM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nnc2ccccn21 ZINC000078972235 1128001652 /nfs/dbraw/zinc/00/16/52/1128001652.db2.gz HJRUIZQATATZMF-VIFPVBQESA-N -1 1 337.210 3.593 20 0 EHADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000058190388 1128064405 /nfs/dbraw/zinc/06/44/05/1128064405.db2.gz YEXXWTIAQUDHFU-UHFFFAOYSA-N -1 1 345.251 3.860 20 0 EHADMM O=S(=O)([N-]Cc1cccc2ccccc21)c1cc(F)ccc1F ZINC000063764522 1128155519 /nfs/dbraw/zinc/15/55/19/1128155519.db2.gz OBMRHNNZLYMQHF-UHFFFAOYSA-N -1 1 333.359 3.597 20 0 EHADMM CCCCc1ccc(NC(=O)NCCn2c(CC)n[n-]c2=S)cc1 ZINC000084293839 1128192392 /nfs/dbraw/zinc/19/23/92/1128192392.db2.gz MOLVOMFVWDSOFT-UHFFFAOYSA-N -1 1 347.488 3.667 20 0 EHADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000073743642 1128327856 /nfs/dbraw/zinc/32/78/56/1128327856.db2.gz 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ZINC000007050452 1128846022 /nfs/dbraw/zinc/84/60/22/1128846022.db2.gz JLLALJHVYVCVSC-GFCCVEGCSA-N -1 1 329.425 3.877 20 0 EHADMM CSc1nc(Nc2cc(F)c(OC(F)F)c(F)c2)cc(=O)[n-]1 ZINC001212445703 1128851416 /nfs/dbraw/zinc/85/14/16/1128851416.db2.gz XJKHEFZCOYZGGQ-UHFFFAOYSA-N -1 1 335.282 3.527 20 0 EHADMM O=C(C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1[O-])c1cccs1 ZINC000092422945 1120017290 /nfs/dbraw/zinc/01/72/90/1120017290.db2.gz XEYGYFUDPLNVNH-LBPRGKRZSA-N -1 1 349.839 3.985 20 0 EHADMM CN(C)[C@H](C(=O)Nc1cccc(F)c1[O-])c1c(F)cccc1Cl ZINC001648846919 1120053541 /nfs/dbraw/zinc/05/35/41/1120053541.db2.gz IXCJNVOSYCEQCF-AWEZNQCLSA-N -1 1 340.757 3.565 20 0 EHADMM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001670530405 1120082594 /nfs/dbraw/zinc/08/25/94/1120082594.db2.gz HZNKPVMIWDRUCG-GFCCVEGCSA-N -1 1 341.782 3.826 20 0 EHADMM Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F ZINC000148711377 1120211490 /nfs/dbraw/zinc/21/14/90/1120211490.db2.gz MYYUWBOTMKFBLO-UHFFFAOYSA-N -1 1 335.187 3.516 20 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1123592068 /nfs/dbraw/zinc/59/20/68/1123592068.db2.gz PQESWRUEUKBHME-UHFFFAOYSA-N -1 1 335.787 3.730 20 0 EHADMM COc1cc(C(=O)N(C)Cc2ccc(F)c(F)c2)cc(Cl)c1[O-] ZINC000135604480 1123631396 /nfs/dbraw/zinc/63/13/96/1123631396.db2.gz AHVMZFRKADHXKR-UHFFFAOYSA-N -1 1 341.741 3.605 20 0 EHADMM CN(CCOc1ccccc1F)C(=O)c1ccc2ccccc2c1[O-] ZINC000078572642 1123638917 /nfs/dbraw/zinc/63/89/17/1123638917.db2.gz JMVCIDQUHNSCTF-UHFFFAOYSA-N -1 1 339.366 3.836 20 0 EHADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000615741997 1123867467 /nfs/dbraw/zinc/86/74/67/1123867467.db2.gz RDZUDSKYHXVHRI-JQWIXIFHSA-N -1 1 338.329 3.743 20 0 EHADMM O=C(Cc1cccc(Br)c1)Nc1ccc([O-])c(Cl)c1 ZINC000082192929 1123976031 /nfs/dbraw/zinc/97/60/31/1123976031.db2.gz SFIKVRQEAAINNZ-UHFFFAOYSA-N -1 1 340.604 3.989 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2CCOc3c(C)cc(C)cc32)c1 ZINC000616547189 1124013738 /nfs/dbraw/zinc/01/37/38/1124013738.db2.gz NNFIHFYNGPCSDQ-UHFFFAOYSA-N -1 1 329.421 3.770 20 0 EHADMM CC(C)c1ccc(OCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000617365305 1124499603 /nfs/dbraw/zinc/49/96/03/1124499603.db2.gz DZOLEJNBFIGVFC-UHFFFAOYSA-N -1 1 341.436 3.701 20 0 EHADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)o1 ZINC000617365416 1124499960 /nfs/dbraw/zinc/49/99/60/1124499960.db2.gz NPDDZSNZGJUEPR-YPMHNXCESA-N -1 1 341.436 3.848 20 0 EHADMM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccc([O-])c(F)c2)CO1 ZINC000617459463 1124554684 /nfs/dbraw/zinc/55/46/84/1124554684.db2.gz HIXZYHWABSZHKI-INIZCTEOSA-N -1 1 343.398 3.741 20 0 EHADMM CC(C)c1ccc2c(c1)CN(C(=O)c1c[nH]c3ccccc3c1=O)CC2 ZINC000617606569 1124675246 /nfs/dbraw/zinc/67/52/46/1124675246.db2.gz BEFHDHQXSVMCAE-UHFFFAOYSA-N -1 1 346.430 3.850 20 0 EHADMM Cc1ccc(-c2nc(C(=O)[N-]c3nc(C4CC4)no3)cs2)cc1 ZINC000734878836 1131286066 /nfs/dbraw/zinc/28/60/66/1131286066.db2.gz OXNJGSGYILYCBO-UHFFFAOYSA-N -1 1 326.381 3.631 20 0 EHADMM Cc1ccc(-c2ncc(C(=O)[N-]c3nc(C4CC4)no3)s2)c(C)c1 ZINC000734877471 1131286211 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O=C(c1ccc([O-])cc1)C1CCN(Cc2cc(F)ccc2F)CC1 ZINC000079949216 1129310225 /nfs/dbraw/zinc/31/02/25/1129310225.db2.gz LZUOAAJBVOJQOW-UHFFFAOYSA-N -1 1 331.362 3.765 20 0 EHADMM C[C@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1cccc(F)c1F ZINC001168733421 1129641480 /nfs/dbraw/zinc/64/14/80/1129641480.db2.gz JUXDORVQYVNQLV-LBPRGKRZSA-N -1 1 341.361 3.978 20 0 EHADMM COc1c(F)cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1F ZINC000670414814 1129719574 /nfs/dbraw/zinc/71/95/74/1129719574.db2.gz HQKXFHVSWUDOGD-UHFFFAOYSA-N -1 1 347.239 3.950 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCc2sccc21)c1c(F)cccc1Cl ZINC000466544570 1129889312 /nfs/dbraw/zinc/88/93/12/1129889312.db2.gz KJYNJFUKMPBIPK-GFCCVEGCSA-N -1 1 345.848 3.897 20 0 EHADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000673982791 1129932637 /nfs/dbraw/zinc/93/26/37/1129932637.db2.gz PFJPWVZUMGWOSH-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2ccc(-n3cccn3)c(F)c2)c1 ZINC001626095481 1129970824 /nfs/dbraw/zinc/97/08/24/1129970824.db2.gz HHZOIGWVIQKNCO-UHFFFAOYSA-N -1 1 343.383 3.691 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)C=C[C@]2(C)CC[C@@H](C)C2(C)C)n1 ZINC001128847640 1130206935 /nfs/dbraw/zinc/20/69/35/1130206935.db2.gz UCJCIDZOTCZLIN-AOSQPNEPSA-N -1 1 333.432 3.544 20 0 EHADMM Cc1[nH]nc([N-]S(=O)(=O)CCCCF)c1-c1cccc(Cl)c1 ZINC000675220334 1130286697 /nfs/dbraw/zinc/28/66/97/1130286697.db2.gz AXFFERXWHSZCHI-UHFFFAOYSA-N -1 1 345.827 3.530 20 0 EHADMM CC(C)c1ocnc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000731992439 1130876762 /nfs/dbraw/zinc/87/67/62/1130876762.db2.gz IWLFKSHTFXSGEL-UHFFFAOYSA-N -1 1 346.387 3.632 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1coc2ccccc12 ZINC000733599373 1131058820 /nfs/dbraw/zinc/05/88/20/1131058820.db2.gz LLZUOFZGJYIZLH-UHFFFAOYSA-N -1 1 336.299 3.602 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H](F)CC1CCCCC1 ZINC001154597627 1131186534 /nfs/dbraw/zinc/18/65/34/1131186534.db2.gz FWHXYFDMPKQDSV-JTQLQIEISA-N -1 1 345.212 3.797 20 0 EHADMM CCCC[C@@H](C(=O)Nc1nc(Br)ccc1[O-])C(C)C ZINC001154598039 1131187467 /nfs/dbraw/zinc/18/74/67/1131187467.db2.gz VTFKOCMFCSUBAI-SNVBAGLBSA-N -1 1 329.238 3.951 20 0 EHADMM Cc1nc(-c2ccc(N3Cc4ccccc4[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000742389218 1131714035 /nfs/dbraw/zinc/71/40/35/1131714035.db2.gz DIHOSZVOTYNOSG-ZDUSSCGKSA-N -1 1 346.434 3.985 20 0 EHADMM Cc1c(F)ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1F ZINC001212689718 1131901833 /nfs/dbraw/zinc/90/18/33/1131901833.db2.gz NXKHVUXFCXYNFA-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1c(F)ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1F ZINC001212689718 1131901836 /nfs/dbraw/zinc/90/18/36/1131901836.db2.gz NXKHVUXFCXYNFA-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCC1CCCC1 ZINC000744880501 1132163787 /nfs/dbraw/zinc/16/37/87/1132163787.db2.gz JQODOCIZNSIZDV-UHFFFAOYSA-N -1 1 339.457 3.575 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)c2ccccc2F)c1 ZINC000744996426 1132178098 /nfs/dbraw/zinc/17/80/98/1132178098.db2.gz JFSMVWBLYMUWDY-LBPRGKRZSA-N -1 1 330.355 3.623 20 0 EHADMM CC(C)(C)OC(=O)N1CC=C(Nc2ccc(F)c(F)c2[O-])CC1 ZINC001174442399 1132359907 /nfs/dbraw/zinc/35/99/07/1132359907.db2.gz NBIFUNMTEMRKKM-UHFFFAOYSA-N -1 1 326.343 3.607 20 0 EHADMM [O-]c1c(Br)c(F)ccc1Nc1cnn(C2CCC2)c1 ZINC001175763071 1132760613 /nfs/dbraw/zinc/76/06/13/1132760613.db2.gz CMYPFXOKNAVYLQ-UHFFFAOYSA-N -1 1 326.169 3.959 20 0 EHADMM O=C(Nc1c([O-])cccc1F)[C@@H](Cc1cccnc1)C1CCCC1 ZINC000867006947 1132820001 /nfs/dbraw/zinc/82/00/01/1132820001.db2.gz RGFAVFDGEPLFDT-HNNXBMFYSA-N -1 1 328.387 3.914 20 0 EHADMM O=C(c1ccc(F)c(Nc2cc(F)c([O-])c(F)c2)c1)N1CCCC1 ZINC001176213556 1132877290 /nfs/dbraw/zinc/87/72/90/1132877290.db2.gz WLDSZHNSQHCKGP-UHFFFAOYSA-N -1 1 336.313 3.789 20 0 EHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H](O)c1ccc(F)cc1 ZINC000767157580 1132961029 /nfs/dbraw/zinc/96/10/29/1132961029.db2.gz NLCXXRCGAPFOQJ-BLVKFPJESA-N -1 1 339.366 3.536 20 0 EHADMM CCOC(=O)Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176671929 1132979748 /nfs/dbraw/zinc/97/97/48/1132979748.db2.gz AEZXHGGCLIELNG-UHFFFAOYSA-N -1 1 325.286 3.659 20 0 EHADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc([O-])c(F)c1 ZINC000767311837 1132984094 /nfs/dbraw/zinc/98/40/94/1132984094.db2.gz GUJUJQIMNFDMKL-UHFFFAOYSA-N -1 1 337.372 3.639 20 0 EHADMM O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccc([O-])cc1F ZINC000773583667 1132984323 /nfs/dbraw/zinc/98/43/23/1132984323.db2.gz PQZXCOFHNQQLIS-UHFFFAOYSA-N -1 1 336.187 3.584 20 0 EHADMM COc1ccc(-n2nccc2Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176662862 1132986901 /nfs/dbraw/zinc/98/69/01/1132986901.db2.gz BANOFBMKBNYUBL-UHFFFAOYSA-N -1 1 335.285 3.747 20 0 EHADMM COc1ccnc(Br)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176662881 1132987163 /nfs/dbraw/zinc/98/71/63/1132987163.db2.gz BRQPVQAIFGSJFR-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM CC1(C)COc2c1cccc2C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176993125 1133019519 /nfs/dbraw/zinc/01/95/19/1133019519.db2.gz CBTINVVGKZZEBM-UHFFFAOYSA-N -1 1 331.799 3.646 20 0 EHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC001177114172 1133032991 /nfs/dbraw/zinc/03/29/91/1133032991.db2.gz NNHNKONZDFSNQB-VIFPVBQESA-N -1 1 343.276 3.921 20 0 EHADMM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(F)cc1[O-] ZINC000768257572 1133118440 /nfs/dbraw/zinc/11/84/40/1133118440.db2.gz FTTYIZGMHXRXOP-UHFFFAOYSA-N -1 1 330.290 3.886 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@H](c1ccccn1)C1CC1 ZINC001178241800 1133151634 /nfs/dbraw/zinc/15/16/34/1133151634.db2.gz DEBRLQDIIGGKFL-AWEZNQCLSA-N -1 1 336.313 3.938 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccc(-c2ccccc2)[nH]1 ZINC001178785174 1133198849 /nfs/dbraw/zinc/19/88/49/1133198849.db2.gz OTYKQZKKQSDPNE-UHFFFAOYSA-N -1 1 342.345 3.638 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)nc1 ZINC000768861778 1133199513 /nfs/dbraw/zinc/19/95/13/1133199513.db2.gz CTZIFSATAGSVRY-FPLPWBNLSA-N -1 1 340.857 3.870 20 0 EHADMM Cc1ccc(C)c(C2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)c1 ZINC001180048768 1133316251 /nfs/dbraw/zinc/31/62/51/1133316251.db2.gz SRBZUIGQLRCMBZ-UHFFFAOYSA-N -1 1 337.419 3.598 20 0 EHADMM CCN(Cc1ccc(OC)cc1OC)C(=O)c1c([O-])cccc1Cl ZINC000769671995 1133328501 /nfs/dbraw/zinc/32/85/01/1133328501.db2.gz PLTFWPGVKZTQEO-UHFFFAOYSA-N -1 1 349.814 3.725 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)cn2)c([O-])c1 ZINC000769705594 1133332876 /nfs/dbraw/zinc/33/28/76/1133332876.db2.gz LBZNWTHGHJNCLN-UHFFFAOYSA-N -1 1 347.346 3.526 20 0 EHADMM O=C(N[C@H](c1ccccc1)c1cccnc1)c1c([O-])cccc1Cl ZINC000769762711 1133338713 /nfs/dbraw/zinc/33/87/13/1133338713.db2.gz LDNSWSBSGMYDQS-GOSISDBHSA-N -1 1 338.794 3.960 20 0 EHADMM CC(=O)N(C)c1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000769931272 1133369079 /nfs/dbraw/zinc/36/90/79/1133369079.db2.gz DZEIMWUOZHEYNV-UHFFFAOYSA-N -1 1 326.396 3.751 20 0 EHADMM CSc1nnc(Nc2cc(Cl)c([O-])cc2F)c(SC)n1 ZINC001250020799 1133529269 /nfs/dbraw/zinc/52/92/69/1133529269.db2.gz RPOZINXOSMFXOU-UHFFFAOYSA-N -1 1 332.813 3.557 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])C1(Cc2ccccc2)CC1 ZINC000771574535 1133572803 /nfs/dbraw/zinc/57/28/03/1133572803.db2.gz MQERORKJOQMOJM-UHFFFAOYSA-N -1 1 347.212 3.511 20 0 EHADMM CCc1ccc(OC(=O)c2cc(Cl)c([O-])c(OC)c2)c(OC)c1 ZINC000785618058 1133732815 /nfs/dbraw/zinc/73/28/15/1133732815.db2.gz RDYWGRBEGZLQEF-UHFFFAOYSA-N -1 1 336.771 3.844 20 0 EHADMM CCc1cc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)no1 ZINC001182853199 1133739696 /nfs/dbraw/zinc/73/96/96/1133739696.db2.gz QQAOBIASLQPSHL-UHFFFAOYSA-N -1 1 346.437 3.800 20 0 EHADMM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])c1nc2ccccc2o1 ZINC000746561681 1133761980 /nfs/dbraw/zinc/76/19/80/1133761980.db2.gz HMCADXIXEZSQKS-SNVBAGLBSA-N -1 1 330.771 3.720 20 0 EHADMM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC001183209797 1133782784 /nfs/dbraw/zinc/78/27/84/1133782784.db2.gz NITPLWMYDMOQBI-NSHDSACASA-N -1 1 334.803 3.970 20 0 EHADMM CC(C)[C@H](C(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC001183578745 1133829771 /nfs/dbraw/zinc/82/97/71/1133829771.db2.gz YJXDBTNYBYKNAO-AWEZNQCLSA-N -1 1 349.228 3.928 20 0 EHADMM CC(C)Oc1cccc(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774675815 1133849236 /nfs/dbraw/zinc/84/92/36/1133849236.db2.gz OTVPMMKALBDSCF-UHFFFAOYSA-N -1 1 335.391 3.776 20 0 EHADMM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1cc(Cl)ccc1F ZINC001184513805 1133955279 /nfs/dbraw/zinc/95/52/79/1133955279.db2.gz IPAZTJAQLDGSQK-UHFFFAOYSA-N -1 1 348.226 3.654 20 0 EHADMM Cc1cccc(C(C)(C)C)c1NC(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001184582217 1133960919 /nfs/dbraw/zinc/96/09/19/1133960919.db2.gz GFCHVCPXGXXDTA-UHFFFAOYSA-N -1 1 345.359 3.536 20 0 EHADMM C=Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC001185222684 1134052340 /nfs/dbraw/zinc/05/23/40/1134052340.db2.gz UMGNWMNFVKLYRF-UHFFFAOYSA-N -1 1 326.377 3.785 20 0 EHADMM CCn1cc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)ccc2n1 ZINC001185524826 1134102927 /nfs/dbraw/zinc/10/29/27/1134102927.db2.gz MPCIRXVSWZNYCH-UHFFFAOYSA-N -1 1 349.843 3.819 20 0 EHADMM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185990409 1134153484 /nfs/dbraw/zinc/15/34/84/1134153484.db2.gz FEDOHTNQCQRAAC-UHFFFAOYSA-N -1 1 335.816 3.580 20 0 EHADMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1ccc([O-])c(F)c1 ZINC001186234111 1134184345 /nfs/dbraw/zinc/18/43/45/1134184345.db2.gz QLXIKPUXARLASR-RAKLQZGLSA-N -1 1 325.383 3.843 20 0 EHADMM Cc1cccc(C2CC2)c1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186271812 1134191146 /nfs/dbraw/zinc/19/11/46/1134191146.db2.gz YWSAAWATOBPMOL-UHFFFAOYSA-N -1 1 345.449 3.678 20 0 EHADMM O=C(NCc1ccccc1CC(F)(F)F)c1c(F)ccc([O-])c1F ZINC001170093449 1134193581 /nfs/dbraw/zinc/19/35/81/1134193581.db2.gz SQJIGUSTVPYNLL-UHFFFAOYSA-N -1 1 345.267 3.705 20 0 EHADMM CSc1ccccc1NC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001186716439 1134247991 /nfs/dbraw/zinc/24/79/91/1134247991.db2.gz BQDDTENGIZTMAS-UHFFFAOYSA-N -1 1 340.408 3.944 20 0 EHADMM CCOc1ccc2cc(C(=O)Nc3nc(Cl)ccc3[O-])[nH]c2c1 ZINC000789931733 1134353915 /nfs/dbraw/zinc/35/39/15/1134353915.db2.gz LKQCZMQYCQBTSF-UHFFFAOYSA-N -1 1 331.759 3.573 20 0 EHADMM Cc1ccc(C)c(C(=O)CCC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000789931806 1134354002 /nfs/dbraw/zinc/35/40/02/1134354002.db2.gz NVQJHGRPOUCPGF-UHFFFAOYSA-N -1 1 332.787 3.659 20 0 EHADMM CCOC(=O)c1ccccc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000790069372 1134363079 /nfs/dbraw/zinc/36/30/79/1134363079.db2.gz XAVBJOJQJUFHQZ-SEYXRHQNSA-N -1 1 345.420 3.584 20 0 EHADMM COc1ccccc1C/C(C)=C/C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047552 1134364920 /nfs/dbraw/zinc/36/49/20/1134364920.db2.gz JERWISMPCXVJCK-ZHACJKMWSA-N -1 1 332.787 3.577 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000790056982 1134366576 /nfs/dbraw/zinc/36/65/76/1134366576.db2.gz RMSIQSSGNBAZSK-SFYZADRCSA-N -1 1 342.704 3.600 20 0 EHADMM CC(C)Cc1ccc([C@@H](C)NC(=O)c2n[n-]nc2C(F)(F)F)cc1 ZINC001187774529 1134377209 /nfs/dbraw/zinc/37/72/09/1134377209.db2.gz UPELWPSYMOCQDM-SNVBAGLBSA-N -1 1 340.349 3.513 20 0 EHADMM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1c([O-])cccc1Cl ZINC000790223884 1134387418 /nfs/dbraw/zinc/38/74/18/1134387418.db2.gz FXGSIMOMICAWGI-AWEZNQCLSA-N -1 1 344.842 3.692 20 0 EHADMM COC(=O)c1ccc(NC(=O)Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001187784286 1134388049 /nfs/dbraw/zinc/38/80/49/1134388049.db2.gz GEORKXAWHGDRCS-UHFFFAOYSA-N -1 1 338.722 3.615 20 0 EHADMM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188105498 1134425016 /nfs/dbraw/zinc/42/50/16/1134425016.db2.gz YERPPSVYOJSEJL-UHFFFAOYSA-N -1 1 335.450 3.912 20 0 EHADMM O=C([N-]c1cc(Cl)nnc1Cl)c1cc(-c2cccs2)on1 ZINC001189183372 1134549285 /nfs/dbraw/zinc/54/92/85/1134549285.db2.gz LCCOAGGLTVLLNY-UHFFFAOYSA-N -1 1 341.179 3.752 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3nc(C)ccc23)c1 ZINC001189232420 1134554001 /nfs/dbraw/zinc/55/40/01/1134554001.db2.gz KPLNEVDZJXXDFU-UHFFFAOYSA-N -1 1 340.404 3.547 20 0 EHADMM O=S(=O)([N-]CCCc1cccc(Cl)c1)c1cccc(F)c1F ZINC001189863650 1134633150 /nfs/dbraw/zinc/63/31/50/1134633150.db2.gz NBOXLGCPJBTAIS-UHFFFAOYSA-N -1 1 345.798 3.529 20 0 EHADMM COCCC[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1Cl ZINC000792551953 1134697156 /nfs/dbraw/zinc/69/71/56/1134697156.db2.gz NPXBYPFOTOMWPL-OAHLLOKOSA-N -1 1 347.842 3.813 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(CO)c2C)cc1 ZINC001190448459 1134702727 /nfs/dbraw/zinc/70/27/27/1134702727.db2.gz RDQVQZZYWTXVCK-UHFFFAOYSA-N -1 1 347.480 3.976 20 0 EHADMM Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccncc3)c2)cc1 ZINC001190898316 1134765806 /nfs/dbraw/zinc/76/58/06/1134765806.db2.gz UNBWFROHRQJYJB-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM COc1cc(C(=O)Nc2cc(F)cc3cccnc32)cc(Cl)c1[O-] ZINC001191148319 1134802004 /nfs/dbraw/zinc/80/20/04/1134802004.db2.gz KTDCYLIQVXJDBV-UHFFFAOYSA-N -1 1 346.745 3.994 20 0 EHADMM COc1cc(C(=O)Nc2cccc3oc(C)nc32)cc(Cl)c1[O-] ZINC001191146291 1134811617 /nfs/dbraw/zinc/81/16/17/1134811617.db2.gz DOXBUWJFIRGRSY-UHFFFAOYSA-N -1 1 332.743 3.756 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C)c2)cc1 ZINC001191249410 1134836644 /nfs/dbraw/zinc/83/66/44/1134836644.db2.gz TZVMSGXBJSOENY-UHFFFAOYSA-N -1 1 343.452 3.717 20 0 EHADMM CCc1cc2c(CN3CCc4cccc(F)c43)cc(=O)oc2cc1[O-] ZINC001191740705 1134915673 /nfs/dbraw/zinc/91/56/73/1134915673.db2.gz GGDRIFCYCSIUFT-UHFFFAOYSA-N -1 1 339.366 3.763 20 0 EHADMM CC(C)c1ccccc1NC(=O)Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001192260965 1134990203 /nfs/dbraw/zinc/99/02/03/1134990203.db2.gz XZQCXFLRVJYQFJ-UHFFFAOYSA-N -1 1 341.411 3.861 20 0 EHADMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1C ZINC001192319107 1134998379 /nfs/dbraw/zinc/99/83/79/1134998379.db2.gz WJIXKMVZYLFGOE-UHFFFAOYSA-N -1 1 341.835 3.617 20 0 EHADMM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1c(F)ccc([O-])c1F ZINC001192540470 1135032144 /nfs/dbraw/zinc/03/21/44/1135032144.db2.gz VXWSAWMRKLJJRM-UHFFFAOYSA-N -1 1 336.725 3.735 20 0 EHADMM CCc1cc2c(cc1CC)CC(NC(=O)c1cc([O-])cc(F)c1F)C2 ZINC001192684665 1135045830 /nfs/dbraw/zinc/04/58/30/1135045830.db2.gz SQLQITOPGMDVAF-UHFFFAOYSA-N -1 1 345.389 3.692 20 0 EHADMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2F)c1 ZINC001192820708 1135059071 /nfs/dbraw/zinc/05/90/71/1135059071.db2.gz DZJFVUKEFMMYAQ-UHFFFAOYSA-N -1 1 341.379 3.645 20 0 EHADMM O=C(CCCn1ccc2cc(Cl)ccc21)[N-]OCC(F)(F)F ZINC000760734683 1135187664 /nfs/dbraw/zinc/18/76/64/1135187664.db2.gz KSZVWVCLSNKOKH-UHFFFAOYSA-N -1 1 334.725 3.685 20 0 EHADMM CC(C)c1ccc(Cl)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC001193844280 1135194483 /nfs/dbraw/zinc/19/44/83/1135194483.db2.gz DDDZYRDQYHQQBK-UHFFFAOYSA-N -1 1 332.713 3.853 20 0 EHADMM COc1cccc2ncc([N-]S(=O)(=O)c3c(C)cccc3C)cc21 ZINC001194615236 1135298785 /nfs/dbraw/zinc/29/87/85/1135298785.db2.gz DTKYVTZAPWYYKH-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM CC[C@H](C)COC(=O)Nc1ccc(I)cc1[O-] ZINC001194804108 1135322542 /nfs/dbraw/zinc/32/25/42/1135322542.db2.gz HPJPUGUJGPARKD-QMMMGPOBSA-N -1 1 349.168 3.591 20 0 EHADMM Cc1nn(C)c2ccc([N-]S(=O)(=O)c3cccc(C(C)C)c3)cc12 ZINC001195156714 1135383601 /nfs/dbraw/zinc/38/36/01/1135383601.db2.gz OSHKMLYUEXFDAK-UHFFFAOYSA-N -1 1 343.452 3.806 20 0 EHADMM COC(=O)c1cc(C)cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195159786 1135384579 /nfs/dbraw/zinc/38/45/79/1135384579.db2.gz WGVXXVPIOQUJKC-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM CSc1nc(NC(=O)c2cc(Cl)c(Cl)s2)cc(=O)[n-]1 ZINC001195169273 1135386659 /nfs/dbraw/zinc/38/66/59/1135386659.db2.gz JXXXHLROIDEBHC-UHFFFAOYSA-N -1 1 336.225 3.525 20 0 EHADMM Cc1ccc([O-])c(C(=O)N2CCC3(CCCc4ccccc43)CC2)n1 ZINC001195321073 1135405220 /nfs/dbraw/zinc/40/52/20/1135405220.db2.gz ARECMIHJINEDMK-UHFFFAOYSA-N -1 1 336.435 3.606 20 0 EHADMM Cc1c(NC(=O)c2nc(C)ccc2[O-])snc1-c1ccccc1 ZINC001195322464 1135405649 /nfs/dbraw/zinc/40/56/49/1135405649.db2.gz NNMCLEMOZCDOCS-UHFFFAOYSA-N -1 1 325.393 3.780 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC001195309030 1135411004 /nfs/dbraw/zinc/41/10/04/1135411004.db2.gz XZZCJEUHPLRZBR-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2F)c(F)c1 ZINC001196387405 1135553683 /nfs/dbraw/zinc/55/36/83/1135553683.db2.gz PBDSEFHCBHBXIB-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM O=S(=O)([N-]c1ccccc1CO)c1ccc2cc(Cl)ccc2c1 ZINC001196431740 1135563164 /nfs/dbraw/zinc/56/31/64/1135563164.db2.gz HBKFOQJBYQMZKS-UHFFFAOYSA-N -1 1 347.823 3.786 20 0 EHADMM COc1cccc2c(C(=O)OCc3cccc(OC(F)F)c3)[nH]nc21 ZINC000808676798 1135715386 /nfs/dbraw/zinc/71/53/86/1135715386.db2.gz RWURXDCMTFVEQH-UHFFFAOYSA-N -1 1 348.305 3.530 20 0 EHADMM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198154093 1135779790 /nfs/dbraw/zinc/77/97/90/1135779790.db2.gz PFCJOUNVLPNAHT-UHFFFAOYSA-N -1 1 347.827 3.646 20 0 EHADMM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000809315998 1135819154 /nfs/dbraw/zinc/81/91/54/1135819154.db2.gz XTNCVNITRYWFBX-GFCCVEGCSA-N -1 1 337.288 3.634 20 0 EHADMM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1c(F)ccc([O-])c1F ZINC000809718559 1135877488 /nfs/dbraw/zinc/87/74/88/1135877488.db2.gz VRYCWYGXWQOLOX-ZDUSSCGKSA-N -1 1 345.345 3.847 20 0 EHADMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccn2nccc2c1 ZINC001152830624 1135973330 /nfs/dbraw/zinc/97/33/30/1135973330.db2.gz YPPXZOCBJFGZQG-UHFFFAOYSA-N -1 1 344.465 3.734 20 0 EHADMM CSc1nc(NC(=O)Nc2ccc(Cl)cc2Cl)cc(=O)[n-]1 ZINC001202072583 1136086697 /nfs/dbraw/zinc/08/66/97/1136086697.db2.gz RLXGCTJDIHFJBJ-UHFFFAOYSA-N -1 1 345.211 3.855 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)cc1 ZINC000005782952 1136090907 /nfs/dbraw/zinc/09/09/07/1136090907.db2.gz QHDCKVVDDMQVOT-UHFFFAOYSA-N -1 1 330.723 3.509 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1sccc1F ZINC000338909113 1136145647 /nfs/dbraw/zinc/14/56/47/1136145647.db2.gz XLLOKGLPCGCZSD-RDDDGLTNSA-N -1 1 349.811 3.514 20 0 EHADMM CC(=O)c1cc(C(=O)Nc2cccc([O-])c2Br)ccc1C ZINC001158830661 1136208782 /nfs/dbraw/zinc/20/87/82/1136208782.db2.gz ASGBGACZWHYTFF-UHFFFAOYSA-N -1 1 348.196 3.918 20 0 EHADMM C[C@H](C(=O)[N-]OC1CCCCC1)c1cccc(Br)c1 ZINC000812545276 1136219293 /nfs/dbraw/zinc/21/92/93/1136219293.db2.gz ZDEMIFYBDUSHLB-NSHDSACASA-N -1 1 326.234 3.933 20 0 EHADMM Cc1ccccc1Nc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000025052753 1136229631 /nfs/dbraw/zinc/22/96/31/1136229631.db2.gz XUXWXNQANPSVNI-UHFFFAOYSA-N -1 1 325.393 3.667 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CCCSCC2)c1 ZINC000850472673 1136265624 /nfs/dbraw/zinc/26/56/24/1136265624.db2.gz LUHHMLHRDRYQJF-CYBMUJFWSA-N -1 1 346.418 3.871 20 0 EHADMM O=C([O-])c1cc(NC(=O)c2cc(-c3cccs3)n[nH]2)ccc1Cl ZINC000776630661 1136494115 /nfs/dbraw/zinc/49/41/15/1136494115.db2.gz QVQYCJHBNJQAPM-UHFFFAOYSA-N -1 1 347.783 3.742 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)[C@@H](C)c3cccs3)[nH]c21 ZINC001134753547 1136527920 /nfs/dbraw/zinc/52/79/20/1136527920.db2.gz QTCNHKIUOWUOCZ-JTQLQIEISA-N -1 1 343.408 3.543 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)c3cc(Cl)cs3)[nH]c21 ZINC001134753504 1136528001 /nfs/dbraw/zinc/52/80/01/1136528001.db2.gz OPMISEMUIQQTQU-UHFFFAOYSA-N -1 1 349.799 3.707 20 0 EHADMM [O-]c1cccc(CNc2ccc(-n3cncn3)c(Cl)c2)c1Cl ZINC000815131010 1136555148 /nfs/dbraw/zinc/55/51/48/1136555148.db2.gz WMRZMFVWNVKIPX-UHFFFAOYSA-N -1 1 335.194 3.892 20 0 EHADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1OC(F)F ZINC000111668011 1136570136 /nfs/dbraw/zinc/57/01/36/1136570136.db2.gz SYTYFMHGZSMDHU-UHFFFAOYSA-N -1 1 343.713 3.908 20 0 EHADMM O=C([N-]c1cc(F)c(F)cc1F)c1scnc1Br ZINC000777857426 1136637708 /nfs/dbraw/zinc/63/77/08/1136637708.db2.gz DYQBDTFPQFTYJK-UHFFFAOYSA-N -1 1 337.120 3.575 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(F)c1Br ZINC000816426642 1136714466 /nfs/dbraw/zinc/71/44/66/1136714466.db2.gz QDIIFOZRIKVJNA-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCSc2ccccc21 ZINC001135615312 1136729619 /nfs/dbraw/zinc/72/96/19/1136729619.db2.gz HRKQKWVBHRCBGF-AWEZNQCLSA-N -1 1 333.840 3.941 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000856492819 1136789484 /nfs/dbraw/zinc/78/94/84/1136789484.db2.gz PXQPVEDVOKBGMM-MRXNPFEDSA-N -1 1 328.799 3.808 20 0 EHADMM COc1ccc([C@H]2CCCN2C(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001135896663 1136803057 /nfs/dbraw/zinc/80/30/57/1136803057.db2.gz ITRMVALVQXHZRL-GOSISDBHSA-N -1 1 348.402 3.926 20 0 EHADMM O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1[O-] ZINC001136105501 1136860891 /nfs/dbraw/zinc/86/08/91/1136860891.db2.gz XNLIUSUWJHRHNG-UHFFFAOYSA-N -1 1 328.799 3.820 20 0 EHADMM O=C(N[C@H](c1nccs1)C(F)(F)F)c1c([O-])cccc1Cl ZINC000818314795 1136870718 /nfs/dbraw/zinc/87/07/18/1136870718.db2.gz WQHJQKJNXWAJPX-SECBINFHSA-N -1 1 336.722 3.536 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)on1 ZINC000857444537 1136871491 /nfs/dbraw/zinc/87/14/91/1136871491.db2.gz ZFDJQHZHTFKRIY-UHFFFAOYSA-N -1 1 335.137 3.698 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])c1cn(-c2ccccc2Cl)nn1 ZINC000339007066 1136908568 /nfs/dbraw/zinc/90/85/68/1136908568.db2.gz IYYJAHVVMITHOY-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173379056 1136928251 /nfs/dbraw/zinc/92/82/51/1136928251.db2.gz IRKFTYBTRWNNNS-STQMWFEESA-N -1 1 345.782 3.559 20 0 EHADMM CCCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1OCC ZINC000821007689 1137015525 /nfs/dbraw/zinc/01/55/25/1137015525.db2.gz KGVBRQAVSKFVIB-CSKARUKUSA-N -1 1 344.411 3.939 20 0 EHADMM COc1cc(CN(C)C(=O)c2cccc([O-])c2F)ccc1SC ZINC001136437006 1137024042 /nfs/dbraw/zinc/02/40/42/1137024042.db2.gz SMFASXBNCCBGTD-UHFFFAOYSA-N -1 1 335.400 3.534 20 0 EHADMM Cc1cnc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c([O-])c1 ZINC001136436930 1137024074 /nfs/dbraw/zinc/02/40/74/1137024074.db2.gz PHYVBSICAFJMKE-AWEZNQCLSA-N -1 1 348.349 3.504 20 0 EHADMM Nc1ccc(Br)c(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001159927828 1137034203 /nfs/dbraw/zinc/03/42/03/1137034203.db2.gz PQOAPFBEOYOZBC-UHFFFAOYSA-N -1 1 333.107 3.898 20 0 EHADMM CC(C)(NC(=O)c1ccc([O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC001136492535 1137036829 /nfs/dbraw/zinc/03/68/29/1137036829.db2.gz DSJXVWYYSDLGQF-UHFFFAOYSA-N -1 1 325.195 3.759 20 0 EHADMM C[C@@H]1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])[C@H](C)C1 ZINC000823260194 1137091988 /nfs/dbraw/zinc/09/19/88/1137091988.db2.gz NKRZDDPPJWBCOR-CHWSQXEVSA-N -1 1 327.380 3.725 20 0 EHADMM Cc1cnc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c([O-])c1 ZINC001136781468 1137114184 /nfs/dbraw/zinc/11/41/84/1137114184.db2.gz QYQNRUBKUVEFPL-DJSGYFEHSA-N -1 1 330.815 3.876 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC(Oc2cccc(F)c2)CC1 ZINC000862426092 1137143841 /nfs/dbraw/zinc/14/38/41/1137143841.db2.gz WYUWZKAQWVSMAR-UHFFFAOYSA-N -1 1 349.789 3.868 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863238588 1137176391 /nfs/dbraw/zinc/17/63/91/1137176391.db2.gz YTGMFAUBWASEQJ-YTQUADARSA-N -1 1 344.414 3.816 20 0 EHADMM COc1cc(-c2nc(=O)c3c(C)sc(C)c3[n-]2)cc(OC)c1OC ZINC000864355013 1137223116 /nfs/dbraw/zinc/22/31/16/1137223116.db2.gz KARSMOFXLWYGFT-UHFFFAOYSA-N -1 1 346.408 3.707 20 0 EHADMM COc1ccccc1O[C@H]1CCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144555157 1137309118 /nfs/dbraw/zinc/30/91/18/1137309118.db2.gz XPDIVRFZTMPLAH-AWEZNQCLSA-N -1 1 349.377 3.722 20 0 EHADMM Cc1ccc([C@@]2(C)CN(Cc3c(F)cc([O-])cc3F)CCO2)cc1 ZINC001144560200 1137309886 /nfs/dbraw/zinc/30/98/86/1137309886.db2.gz VFQIGYMVXPLXIP-LJQANCHMSA-N -1 1 333.378 3.726 20 0 EHADMM [O-]c1cc(F)c(CN2CCn3cc(-c4ccccc4)nc3C2)c(F)c1 ZINC001144560949 1137309960 /nfs/dbraw/zinc/30/99/60/1137309960.db2.gz CWJJAQRBGCCFRD-UHFFFAOYSA-N -1 1 341.361 3.550 20 0 EHADMM [O-]c1cc(F)c(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1F ZINC001144660009 1137327410 /nfs/dbraw/zinc/32/74/10/1137327410.db2.gz UHHNQNWHDLUQCI-QGZVFWFLSA-N -1 1 341.304 3.522 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@H]3CCCS3)nc2)[n-]c(=O)c1C ZINC000866094503 1137328991 /nfs/dbraw/zinc/32/89/91/1137328991.db2.gz YWMOQLYPQGACQY-CQSZACIVSA-N -1 1 330.457 3.559 20 0 EHADMM Cc1cccc2c1CCN(C(=O)c1ccc3ccc(O)cc3c1[O-])C2 ZINC001144739876 1137341488 /nfs/dbraw/zinc/34/14/88/1137341488.db2.gz ZXZOFHDFVUDPMH-UHFFFAOYSA-N -1 1 333.387 3.758 20 0 EHADMM COc1ccc(Cl)cc1CN(C)Cc1ccccc1CC(=O)[O-] ZINC000846239399 1137343027 /nfs/dbraw/zinc/34/30/27/1137343027.db2.gz WQXSOOSKBLPBAJ-UHFFFAOYSA-N -1 1 333.815 3.608 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@]2(CC2(F)F)C1 ZINC000846583612 1137358820 /nfs/dbraw/zinc/35/88/20/1137358820.db2.gz QIOFBTZJSBHPCU-ZDUSSCGKSA-N -1 1 335.272 3.672 20 0 EHADMM CC(C)Oc1c(Cl)cccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC001146269885 1137388238 /nfs/dbraw/zinc/38/82/38/1137388238.db2.gz HXZONAXBHMVDKS-UHFFFAOYSA-N -1 1 333.771 3.654 20 0 EHADMM O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc2ccccc2cc1[O-] ZINC001147035903 1137398584 /nfs/dbraw/zinc/39/85/84/1137398584.db2.gz XLRSWJDFOAIWCP-GOSISDBHSA-N -1 1 346.430 3.944 20 0 EHADMM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC001147111864 1137400670 /nfs/dbraw/zinc/40/06/70/1137400670.db2.gz JKRQRABOXYZVAE-IUODEOHRSA-N -1 1 346.224 3.516 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cnn(C2CC2)c1 ZINC001148253421 1137420588 /nfs/dbraw/zinc/42/05/88/1137420588.db2.gz SEYANEDVSJJNSQ-UHFFFAOYSA-N -1 1 327.771 3.983 20 0 EHADMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC001148371369 1137423391 /nfs/dbraw/zinc/42/33/91/1137423391.db2.gz MXXXYGIYWOPBSI-NVXWUHKLSA-N -1 1 346.224 3.615 20 0 EHADMM Nc1cc(Cl)cnc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861112 1137436479 /nfs/dbraw/zinc/43/64/79/1137436479.db2.gz LNRLATMIVYAAGR-UHFFFAOYSA-N -1 1 339.782 3.942 20 0 EHADMM CC1(C)CN(C(=O)c2cccc(-c3ccccc3)c2[O-])[C@@](C)(CO)C1 ZINC001148866533 1137436809 /nfs/dbraw/zinc/43/68/09/1137436809.db2.gz ADOWMVUNXGYCTN-OAQYLSRUSA-N -1 1 339.435 3.682 20 0 EHADMM C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)c1ccc(F)cc1 ZINC000751732600 1137469196 /nfs/dbraw/zinc/46/91/96/1137469196.db2.gz RMNMKOCJOITSFP-QMMMGPOBSA-N -1 1 340.709 3.752 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cnc(C(C)C)s2)c1 ZINC000773200102 1137477379 /nfs/dbraw/zinc/47/73/79/1137477379.db2.gz ZQYVQRAWIFURLX-UHFFFAOYSA-N -1 1 333.409 3.574 20 0 EHADMM C[C@H]1COCCN1c1ccc(NC(=O)c2ccccc2[O-])cc1Cl ZINC001149996786 1137531882 /nfs/dbraw/zinc/53/18/82/1137531882.db2.gz YFNFTPMQVAZHCS-LBPRGKRZSA-N -1 1 346.814 3.523 20 0 EHADMM Cc1ccc(Cc2nnc([N-]C(=O)c3cnc(C4CC4)o3)s2)cc1 ZINC000878781007 1137727941 /nfs/dbraw/zinc/72/79/41/1137727941.db2.gz RPGSJDOIVYWTES-UHFFFAOYSA-N -1 1 340.408 3.555 20 0 EHADMM COc1cc(C(=O)N2CCC[C@H]2c2ccc(C)o2)cc(Cl)c1[O-] ZINC000331813855 1137921872 /nfs/dbraw/zinc/92/18/72/1137921872.db2.gz ODISRYBJULQOIB-ZDUSSCGKSA-N -1 1 335.787 3.933 20 0 EHADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000332207087 1137935562 /nfs/dbraw/zinc/93/55/62/1137935562.db2.gz IVDQHYIBKPBANV-UHFFFAOYSA-N -1 1 347.358 3.737 20 0 EHADMM COc1cc(C(=O)Nc2nc3c(s2)CCCC3)cc(Cl)c1[O-] ZINC000332215578 1137936103 /nfs/dbraw/zinc/93/61/03/1137936103.db2.gz WUCLOVYIDBDYHU-UHFFFAOYSA-N -1 1 338.816 3.642 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc(OC2CCCC2)cc1 ZINC000134605120 1137960352 /nfs/dbraw/zinc/96/03/52/1137960352.db2.gz RYTIFCIYQCIOSG-UHFFFAOYSA-N -1 1 333.409 3.514 20 0 EHADMM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ncc2ccccc2c1[O-] ZINC001137211966 1137963765 /nfs/dbraw/zinc/96/37/65/1137963765.db2.gz GGRZFTIDCAJUHP-OAHLLOKOSA-N -1 1 338.329 3.791 20 0 EHADMM CC(C)Cc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000028604955 1137983203 /nfs/dbraw/zinc/98/32/03/1137983203.db2.gz XWIHYBYAODIMCL-UHFFFAOYSA-N -1 1 333.310 3.545 20 0 EHADMM O=C(N[C@@H]1CCCC12CCOCC2)c1ccc2ccccc2c1[O-] ZINC000333252016 1138271282 /nfs/dbraw/zinc/27/12/82/1138271282.db2.gz KMDREFHMIONKNF-QGZVFWFLSA-N -1 1 325.408 3.625 20 0 EHADMM CCCCCC[C@H](C)CC(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889791094 1139268790 /nfs/dbraw/zinc/26/87/90/1139268790.db2.gz CIXCPKWHJXIUQG-GJZGRUSLSA-N -1 1 349.475 3.851 20 0 EHADMM CCOc1cc(C(=O)NCC[C@@H]2CCC(F)(F)C2)cc(Cl)c1[O-] ZINC000890005593 1139300586 /nfs/dbraw/zinc/30/05/86/1139300586.db2.gz ZZHPQHDCKNIWTI-JTQLQIEISA-N -1 1 347.789 4.000 20 0 EHADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3c([O-])cccc3F)[nH]c2c1 ZINC000184306167 1140094275 /nfs/dbraw/zinc/09/42/75/1140094275.db2.gz WFIFICJVNOBWKH-OAHLLOKOSA-N -1 1 339.370 3.693 20 0 EHADMM CC[C@@H](C)n1ncc(C(=O)Nc2nc(Cl)ccc2[O-])c1C1CC1 ZINC000188379506 1140294535 /nfs/dbraw/zinc/29/45/35/1140294535.db2.gz MLQDGUPOKMIVGU-SECBINFHSA-N -1 1 334.807 3.738 20 0 EHADMM COc1cc(C(=O)N(C)CCOc2ccccc2C)cc(Cl)c1[O-] ZINC000357722755 1141090002 /nfs/dbraw/zinc/09/00/02/1141090002.db2.gz ABSGKNGRFBIWDY-UHFFFAOYSA-N -1 1 349.814 3.514 20 0 EHADMM CCN(CC(=O)[O-])Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000038017531 213190235 /nfs/dbraw/zinc/19/02/35/213190235.db2.gz YRBAWTZDHQKBRR-UHFFFAOYSA-N -1 1 338.201 3.616 20 0 EHADMM CCCCc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000097091272 218948492 /nfs/dbraw/zinc/94/84/92/218948492.db2.gz RDGPCRHTHRWVRI-UHFFFAOYSA-N -1 1 341.455 3.971 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(F)cc2Br)CC1 ZINC000299746727 563968956 /nfs/dbraw/zinc/96/89/56/563968956.db2.gz ZJTRMQHDECQRPS-NSHDSACASA-N -1 1 344.224 3.665 20 0 EHADMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532712154 597069313 /nfs/dbraw/zinc/06/93/13/597069313.db2.gz RPYGMIPYFWELEV-HZPDHXFCSA-N -1 1 346.471 3.632 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000320514605 597073399 /nfs/dbraw/zinc/07/33/99/597073399.db2.gz NNJYIZNABGMYHB-LBPRGKRZSA-N -1 1 334.803 3.682 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000320526948 597086596 /nfs/dbraw/zinc/08/65/96/597086596.db2.gz PEXRMWXXOZTFBZ-GFCCVEGCSA-N -1 1 334.803 3.682 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc2nc(C3CC3)sc2c1 ZINC000823766828 607314742 /nfs/dbraw/zinc/31/47/42/607314742.db2.gz KILREWOTGOIRSM-UHFFFAOYSA-N -1 1 338.396 3.559 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc2nc(C3CC3)sc2c1 ZINC000823766828 607314743 /nfs/dbraw/zinc/31/47/43/607314743.db2.gz KILREWOTGOIRSM-UHFFFAOYSA-N -1 1 338.396 3.559 20 0 EHADMM Clc1nsc(N[C@@H]2CCCCc3ccccc32)c1-c1nnn[n-]1 ZINC000737583386 598245456 /nfs/dbraw/zinc/24/54/56/598245456.db2.gz KBZFXZYNVYECMU-LLVKDONJSA-N -1 1 346.847 3.856 20 0 EHADMM Clc1nsc(N[C@@H]2CCCCc3ccccc32)c1-c1nn[n-]n1 ZINC000737583386 598245458 /nfs/dbraw/zinc/24/54/58/598245458.db2.gz KBZFXZYNVYECMU-LLVKDONJSA-N -1 1 346.847 3.856 20 0 EHADMM CC1(C)CO[C@H](c2ccccc2)CN1Cc1cccc(C(=O)[O-])c1 ZINC000263476303 600144050 /nfs/dbraw/zinc/14/40/50/600144050.db2.gz MRIYVSZFGCFCHM-SFHVURJKSA-N -1 1 325.408 3.737 20 0 EHADMM Cc1cc(CNC2(c3ccccc3F)CC2)cc(C)c1OCC(=O)[O-] ZINC000738389166 600242021 /nfs/dbraw/zinc/24/20/21/600242021.db2.gz OGXDABARJXGAGB-UHFFFAOYSA-N -1 1 343.398 3.685 20 0 EHADMM Cc1c(Cl)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)nc2ccccc12 ZINC000405358835 600299301 /nfs/dbraw/zinc/29/93/01/600299301.db2.gz MMWPQLCPMLYGBG-AWEZNQCLSA-N -1 1 344.842 3.883 20 0 EHADMM COc1ccc(F)cc1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738016520 600315118 /nfs/dbraw/zinc/31/51/18/600315118.db2.gz CNDQLNYVEPBCQJ-HWPZZCPQSA-N -1 1 337.778 3.964 20 0 EHADMM CO[C@@H](C)CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(C)C ZINC000737736234 600720659 /nfs/dbraw/zinc/72/06/59/600720659.db2.gz XOQNSVIQSRPQLF-ZDUSSCGKSA-N -1 1 348.468 3.754 20 0 EHADMM O=C([O-])[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccccc1F ZINC000833167701 600734910 /nfs/dbraw/zinc/73/49/10/600734910.db2.gz OURBBFICJWXUEL-HUUCEWRRSA-N -1 1 335.375 3.917 20 0 EHADMM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OC(C)C ZINC000426832550 600736510 /nfs/dbraw/zinc/73/65/10/600736510.db2.gz IFROLEJINZMJCY-SFHVURJKSA-N -1 1 347.386 3.537 20 0 EHADMM Cc1oc(CN2CCC(Nc3cccc(C)c3)CC2)cc1C(=O)[O-] ZINC000738736676 600796960 /nfs/dbraw/zinc/79/69/60/600796960.db2.gz QGTRIKJAQSGTNR-UHFFFAOYSA-N -1 1 328.412 3.671 20 0 EHADMM O=C([O-])c1ccoc1CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000740254709 600992447 /nfs/dbraw/zinc/99/24/47/600992447.db2.gz ZAMGMMSCEMBLIP-UHFFFAOYSA-N -1 1 341.392 3.544 20 0 EHADMM CC[C@H](c1ccncc1)N(CC)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000829033764 601401273 /nfs/dbraw/zinc/40/12/73/601401273.db2.gz WHPZGMSYADXGJV-MRXNPFEDSA-N -1 1 338.411 3.560 20 0 EHADMM Cc1oc(-c2ccccc2)nc1CN1CCC(CCC(=O)[O-])CC1 ZINC000567596073 601839861 /nfs/dbraw/zinc/83/98/61/601839861.db2.gz WBCKQLMOVZZKAX-UHFFFAOYSA-N -1 1 328.412 3.727 20 0 EHADMM C[C@@]1(C(=O)[O-])CCN(Cn2c(-c3ccccc3)csc2=S)C1 ZINC000828029102 601891121 /nfs/dbraw/zinc/89/11/21/601891121.db2.gz PYZQTERVXOYWSI-MRXNPFEDSA-N -1 1 334.466 3.700 20 0 EHADMM Cc1cc(CN(C)Cc2cccc(OC(F)(F)F)c2)oc1C(=O)[O-] ZINC000564738748 601909952 /nfs/dbraw/zinc/90/99/52/601909952.db2.gz NZJTUNGEYZOQEJ-UHFFFAOYSA-N -1 1 343.301 3.817 20 0 EHADMM COc1ccc(OC)c(CN(Cc2ccc(C(=O)[O-])o2)C(C)(C)C)c1 ZINC000832435623 602326197 /nfs/dbraw/zinc/32/61/97/602326197.db2.gz JNKXCODPYVEODB-UHFFFAOYSA-N -1 1 347.411 3.796 20 0 EHADMM CC[C@@H](c1ccc(F)cc1F)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739275748 602865396 /nfs/dbraw/zinc/86/53/96/602865396.db2.gz BIMXKHBBNXTZMC-BZNIZROVSA-N -1 1 326.387 3.784 20 0 EHADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000825442972 604004060 /nfs/dbraw/zinc/00/40/60/604004060.db2.gz USBYEBOLEDIYKO-VIFPVBQESA-N -1 1 334.759 3.627 20 0 EHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256520 604195995 /nfs/dbraw/zinc/19/59/95/604195995.db2.gz YONXMCQCBFELII-LZWOXQAQSA-N -1 1 343.427 3.771 20 0 EHADMM C[C@@H](N[C@H](CNC(=O)[O-])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000825473623 604363212 /nfs/dbraw/zinc/36/32/12/604363212.db2.gz SZIVQSQCYNBSLL-BXUZGUMPSA-N -1 1 331.441 3.507 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccccc1 ZINC000833407721 604561968 /nfs/dbraw/zinc/56/19/68/604561968.db2.gz NWYYIRRWUYLFOS-KDOFPFPSSA-N -1 1 342.439 3.811 20 0 EHADMM CCn1c(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)nc2c1cccc2F ZINC000652499621 604947371 /nfs/dbraw/zinc/94/73/71/604947371.db2.gz FKYRDXCHYMKMBD-ZDUSSCGKSA-N -1 1 347.434 3.518 20 0 EHADMM COc1cccc([C@H](C)Sc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000821858844 606878202 /nfs/dbraw/zinc/87/82/02/606878202.db2.gz HKSYVXZSSAPLNK-JTQLQIEISA-N -1 1 330.388 3.868 20 0 EHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1Cl ZINC000824662044 607894524 /nfs/dbraw/zinc/89/45/24/607894524.db2.gz AXZOVSZYCPLDEX-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1Cl ZINC000824662044 607894525 /nfs/dbraw/zinc/89/45/25/607894525.db2.gz AXZOVSZYCPLDEX-QMMMGPOBSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1Cl ZINC000826232258 608417656 /nfs/dbraw/zinc/41/76/56/608417656.db2.gz NDDUYKIPVCXHNZ-LURJTMIESA-N -1 1 341.227 3.803 20 0 EHADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1Cl ZINC000826232258 608417658 /nfs/dbraw/zinc/41/76/58/608417658.db2.gz NDDUYKIPVCXHNZ-LURJTMIESA-N -1 1 341.227 3.803 20 0 EHADMM CC[C@H](C)c1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820882294 945581551 /nfs/dbraw/zinc/58/15/51/945581551.db2.gz OQSVNAZOLZENPD-JTQLQIEISA-N -1 1 328.397 3.661 20 0 EHADMM CC[C@H](C)c1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820882294 945581560 /nfs/dbraw/zinc/58/15/60/945581560.db2.gz OQSVNAZOLZENPD-JTQLQIEISA-N -1 1 328.397 3.661 20 0 EHADMM C[C@@H]1CN(Cc2cc(Cl)ccc2Br)CC[C@@H]1C(=O)[O-] ZINC000311349236 950733467 /nfs/dbraw/zinc/73/34/67/950733467.db2.gz DJZCPCYLMAOIFI-SKDRFNHKSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H](NCc2cc(Cl)cc3c2OCC3)c2ccccc21 ZINC000417620770 953413059 /nfs/dbraw/zinc/41/30/59/953413059.db2.gz GMAMTDUXHIQYSK-IAGOWNOFSA-N -1 1 343.810 3.678 20 0 EHADMM C[C@@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C[C@@H]1C(=O)[O-] ZINC001589354672 954115987 /nfs/dbraw/zinc/11/59/87/954115987.db2.gz BXJSLBQZUODHAY-RISCZKNCSA-N -1 1 334.803 3.538 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000390935282 972308825 /nfs/dbraw/zinc/30/88/25/972308825.db2.gz JEDZKFOXRMTHSR-AWEZNQCLSA-N -1 1 334.803 3.824 20 0 EHADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(C(=O)c2cccs2)CC1 ZINC001326546895 961108474 /nfs/dbraw/zinc/10/84/74/961108474.db2.gz IOQUPDNRDDRBGM-MRXNPFEDSA-N -1 1 347.411 3.608 20 0 EHADMM O=C([O-])[C@@H](c1ccsc1)N1CCC(C(=O)c2cccs2)CC1 ZINC001328744522 961225333 /nfs/dbraw/zinc/22/53/33/961225333.db2.gz NJXYAUZGUIDCKI-CQSZACIVSA-N -1 1 335.450 3.530 20 0 EHADMM CC(C)N(Cc1ccco1)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588920258 962369300 /nfs/dbraw/zinc/36/93/00/962369300.db2.gz DTYOUOMWFQRHTO-OAHLLOKOSA-N -1 1 346.427 3.584 20 0 EHADMM Cc1cc(Br)c(CN(C)C[C@H](C)C(=O)[O-])cc1Cl ZINC000263523975 962705845 /nfs/dbraw/zinc/70/58/45/962705845.db2.gz SLKGHDZEKIBXSU-VIFPVBQESA-N -1 1 334.641 3.563 20 0 EHADMM O=C([O-])CCCCN1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000263570607 962735028 /nfs/dbraw/zinc/73/50/28/962735028.db2.gz IJVOLTNPFWLZPG-AWEZNQCLSA-N -1 1 344.224 3.980 20 0 EHADMM Cc1cc(Br)ccc1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000395221380 972781947 /nfs/dbraw/zinc/78/19/47/972781947.db2.gz MPPSYZLPCYWCMQ-AWEZNQCLSA-N -1 1 326.234 3.587 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H](N[C@H]2CCc3ccc(Cl)nc32)c2ccccc21 ZINC001605983078 973018413 /nfs/dbraw/zinc/01/84/13/973018413.db2.gz GAGABOQLIUBGJM-QLFBSQMISA-N -1 1 328.799 3.625 20 0 EHADMM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000519710056 974333899 /nfs/dbraw/zinc/33/38/99/974333899.db2.gz NDTJUMFZMGRHIJ-LSDHHAIUSA-N -1 1 346.254 3.866 20 0 EHADMM O=C([O-])c1cnc(CN2CCCCC[C@H]2/C=C\c2ccccc2)cn1 ZINC000530162446 974358560 /nfs/dbraw/zinc/35/85/60/974358560.db2.gz GVXARLDLJRLAPW-LENZSSGSSA-N -1 1 337.423 3.633 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000568404560 974670129 /nfs/dbraw/zinc/67/01/29/974670129.db2.gz ZKAZSLVVKZZMSW-UHFFFAOYSA-N -1 1 343.423 3.892 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)c([O-])c1 ZINC000216538810 1014235719 /nfs/dbraw/zinc/23/57/19/1014235719.db2.gz RSXJFGQPTJILLB-UHFFFAOYSA-N -1 1 325.336 3.968 20 0 EHADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000659801900 975892359 /nfs/dbraw/zinc/89/23/59/975892359.db2.gz MGYLYLVTMQNQGR-MRXNPFEDSA-N -1 1 331.799 3.692 20 0 EHADMM CC(C)Oc1ccc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])cc1 ZINC001591775205 975918317 /nfs/dbraw/zinc/91/83/17/975918317.db2.gz LYMSSIIMKFOXJX-HNNXBMFYSA-N -1 1 343.423 3.788 20 0 EHADMM CC(C)COc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683173008 976077152 /nfs/dbraw/zinc/07/71/52/976077152.db2.gz JFWUNJHUQLFBKJ-GOSISDBHSA-N -1 1 349.377 3.915 20 0 EHADMM CC(C)c1nc(NC(=O)c2ccc(Cl)cc2O)sc1C(=O)[O-] ZINC001592028918 976731837 /nfs/dbraw/zinc/73/18/37/976731837.db2.gz WDQWSIAUUORVFP-UHFFFAOYSA-N -1 1 340.788 3.576 20 0 EHADMM Cc1c(CN[C@@H](C(=O)[O-])c2ccccc2)sc2nc(C)nc(C)c12 ZINC000840995907 979295871 /nfs/dbraw/zinc/29/58/71/979295871.db2.gz RGTSPFBZFXUGER-MRXNPFEDSA-N -1 1 341.436 3.532 20 0 EHADMM C[C@@](Cc1ccccc1)(NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC001592892078 979788867 /nfs/dbraw/zinc/78/88/67/979788867.db2.gz RXDWAHNDGKEHQI-FQEVSTJZSA-N -1 1 336.391 3.621 20 0 EHADMM C[C@](Cc1ccccc1)(NCc1oncc1C(=O)[O-])c1ccccc1 ZINC001592892400 979791635 /nfs/dbraw/zinc/79/16/35/979791635.db2.gz XAKMEXYJTCGDAQ-HXUWFJFHSA-N -1 1 336.391 3.621 20 0 EHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2c(Cl)cncc2Cl)C1 ZINC000901522969 980342836 /nfs/dbraw/zinc/34/28/36/980342836.db2.gz SQIPDZHZZYDBRV-JTQLQIEISA-N -1 1 331.243 3.711 20 0 EHADMM CC[C@H](NCC(=O)c1cc(C(=O)[O-])[nH]c1C)c1cccc(Cl)c1 ZINC001595285976 980361083 /nfs/dbraw/zinc/36/10/83/980361083.db2.gz AVLNZWCHQWONTB-AWEZNQCLSA-N -1 1 334.803 3.598 20 0 EHADMM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cnc(C2CCC2)s1 ZINC000901987722 980668778 /nfs/dbraw/zinc/66/87/78/980668778.db2.gz FXDBCUFJYBPKJB-MRXNPFEDSA-N -1 1 328.437 3.595 20 0 EHADMM CCc1oc(CN[C@H](C)c2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000902112281 980740383 /nfs/dbraw/zinc/74/03/83/980740383.db2.gz LUJJZTQFLZXAOB-SNVBAGLBSA-N -1 1 339.338 3.992 20 0 EHADMM CC(C)(F)CNCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000902274082 980812785 /nfs/dbraw/zinc/81/27/85/980812785.db2.gz OHDRAYLFXCJZIL-UHFFFAOYSA-N -1 1 331.387 3.802 20 0 EHADMM CC[C@@]1(C)CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001595368740 980830210 /nfs/dbraw/zinc/83/02/10/980830210.db2.gz JEJCXQQYQFZMNK-AWEZNQCLSA-N -1 1 330.222 3.752 20 0 EHADMM COc1cc2c(cc1OC)[C@H](NCc1cc(C(=O)[O-])co1)CCCC2 ZINC000902457343 980896466 /nfs/dbraw/zinc/89/64/66/980896466.db2.gz NRPIZCAHKPGZCU-MRXNPFEDSA-N -1 1 345.395 3.552 20 0 EHADMM O=C([O-])c1ccc(Br)c(CN2CCC[C@@H](CCF)C2)c1 ZINC000903906533 981031007 /nfs/dbraw/zinc/03/10/07/981031007.db2.gz KHJRDOPDRZJAKS-NSHDSACASA-N -1 1 344.224 3.719 20 0 EHADMM CCCc1ccc(CN2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1 ZINC001596063177 983374702 /nfs/dbraw/zinc/37/47/02/983374702.db2.gz UKFVCCJDWIAAFW-UHFFFAOYSA-N -1 1 339.435 3.904 20 0 EHADMM CCN(Cc1cc(C(=O)[O-])no1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001596356209 983824640 /nfs/dbraw/zinc/82/46/40/983824640.db2.gz LMVYFQRQTGDHAJ-JTQLQIEISA-N -1 1 342.317 3.975 20 0 EHADMM CCOc1ccccc1OCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479993 1014988147 /nfs/dbraw/zinc/98/81/47/1014988147.db2.gz XRIBHQOHNZWWHS-UHFFFAOYSA-N -1 1 330.315 3.559 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@@H](C3CCC3)CC2)c(C)c1C(=O)[O-] ZINC001599943599 985487908 /nfs/dbraw/zinc/48/79/08/985487908.db2.gz CKAROLLQOCWNJY-GOEBONIOSA-N -1 1 346.471 3.803 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCC[C@H](C(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599944819 985507748 /nfs/dbraw/zinc/50/77/48/985507748.db2.gz JELRUNSQOJDOPG-AWEZNQCLSA-N -1 1 334.460 3.661 20 0 EHADMM CC(=O)Nc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589204750 985662994 /nfs/dbraw/zinc/66/29/94/985662994.db2.gz CEXCDVBISHPNKJ-APPDUMDISA-N -1 1 346.814 3.775 20 0 EHADMM C[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)Cc2ccccc2O1 ZINC001594501992 985690087 /nfs/dbraw/zinc/69/00/87/985690087.db2.gz QYYFJEJBRQAOHK-SJCJKPOMSA-N -1 1 331.799 3.749 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC001599960136 985765460 /nfs/dbraw/zinc/76/54/60/985765460.db2.gz HOLOWIOVPYQOLD-QGZVFWFLSA-N -1 1 342.439 3.971 20 0 EHADMM Cc1c(NC(=O)Nc2ccc(C(=O)[O-])s2)[nH]nc1-c1ccccc1 ZINC001599969801 985985469 /nfs/dbraw/zinc/98/54/69/985985469.db2.gz TWQKFUYNPMGWTG-UHFFFAOYSA-N -1 1 342.380 3.789 20 0 EHADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2O1 ZINC000047250980 1015298874 /nfs/dbraw/zinc/29/88/74/1015298874.db2.gz FVLJDLHRPOJACL-UHFFFAOYSA-N -1 1 339.800 3.648 20 0 EHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)nc2Cl)C1 ZINC001589616046 987473928 /nfs/dbraw/zinc/47/39/28/987473928.db2.gz BLGNYWLZGUDNRR-NSHDSACASA-N -1 1 331.243 3.711 20 0 EHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nccc(Cl)c2Cl)C1 ZINC001589616117 987475333 /nfs/dbraw/zinc/47/53/33/987475333.db2.gz GZBFZOCINUUWMU-JTQLQIEISA-N -1 1 331.243 3.711 20 0 EHADMM CC(C)(C(=O)OCc1c2ccccc2sc1C(=O)[O-])N1CCCC1 ZINC001589681239 987710701 /nfs/dbraw/zinc/71/07/01/987710701.db2.gz OMUVEMPZFLBKLV-UHFFFAOYSA-N -1 1 347.436 3.517 20 0 EHADMM CCc1oc(CNC[C@@H](O)c2cc3ccccc3s2)cc1C(=O)[O-] ZINC001597801419 989393710 /nfs/dbraw/zinc/39/37/10/989393710.db2.gz DHJLHVCKLKTEDE-CQSZACIVSA-N -1 1 345.420 3.578 20 0 EHADMM COc1cccc2c1CCC[C@H]2NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001599690553 991061922 /nfs/dbraw/zinc/06/19/22/991061922.db2.gz JQMBYPROMPYFNI-OAHLLOKOSA-N -1 1 346.814 3.609 20 0 EHADMM CN(C)c1cccc([C@@H]2CCCN2[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001598335478 991389782 /nfs/dbraw/zinc/38/97/82/991389782.db2.gz MRSGZINKXLVXGQ-IRXDYDNUSA-N -1 1 330.453 3.777 20 0 EHADMM COc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001599712950 991403300 /nfs/dbraw/zinc/40/33/00/991403300.db2.gz QBDNXAHTPIEVBN-OAHLLOKOSA-N -1 1 339.313 3.630 20 0 EHADMM CN(Cc1cc(C(C)(C)C)[nH]n1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598507583 992525627 /nfs/dbraw/zinc/52/56/27/992525627.db2.gz WLBOIMCBSKCVCG-OAHLLOKOSA-N -1 1 335.835 3.618 20 0 EHADMM COc1ccc(NC(=O)c2cncc([O-])c2)cc1Cc1ccccc1 ZINC000339828387 1015717364 /nfs/dbraw/zinc/71/73/64/1015717364.db2.gz JDSNIYZIJJNOKL-UHFFFAOYSA-N -1 1 334.375 3.639 20 0 EHADMM O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000339882058 1015811723 /nfs/dbraw/zinc/81/17/23/1015811723.db2.gz XWMOSRFAUUHONT-UHFFFAOYSA-N -1 1 348.362 3.684 20 0 EHADMM C[C@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001593236245 994402771 /nfs/dbraw/zinc/40/27/71/994402771.db2.gz AZEMGTBVZCDDIS-NSHDSACASA-N -1 1 344.436 3.613 20 0 EHADMM C[C@@H](NC[C@H](c1ccccc1)C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC001593246116 994447060 /nfs/dbraw/zinc/44/70/60/994447060.db2.gz HDHQCMVDPPMGMA-MWLCHTKSSA-N -1 1 344.358 3.838 20 0 EHADMM C[C@H](NCCOc1ccccc1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001593272057 994609827 /nfs/dbraw/zinc/60/98/27/994609827.db2.gz OYUVGYXFXOMBGJ-LBPRGKRZSA-N -1 1 348.468 3.868 20 0 EHADMM COc1cccc([C@]2(C)CCN([C@@H](C)c3ncc(C(=O)[O-])s3)C2)c1 ZINC001599663516 994692291 /nfs/dbraw/zinc/69/22/91/994692291.db2.gz WFFLTFYUCHUHMZ-KPZWWZAWSA-N -1 1 346.452 3.575 20 0 EHADMM C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1cc(C(=O)[O-])cs1 ZINC001593305364 994762306 /nfs/dbraw/zinc/76/23/06/994762306.db2.gz YOPPKSPDIYGEMB-LLVKDONJSA-N -1 1 334.441 3.869 20 0 EHADMM C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccccc1OCC(=O)[O-] ZINC001593359463 995018016 /nfs/dbraw/zinc/01/80/16/995018016.db2.gz FWKRNWFEIZGKQU-PXAZEXFGSA-N -1 1 329.371 3.627 20 0 EHADMM C[C@@H](Oc1ccccc1CN[C@@H]1CCc2cc(Cl)ccc21)C(=O)[O-] ZINC001593649584 996004012 /nfs/dbraw/zinc/00/40/12/996004012.db2.gz WUCBNGBVZUQDDX-SJKOYZFVSA-N -1 1 345.826 3.969 20 0 EHADMM C[C@@H](c1ccc(Cl)cc1)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593693157 996143067 /nfs/dbraw/zinc/14/30/67/996143067.db2.gz JWBWQQGRSQMKGB-ZMLRMANQSA-N -1 1 335.753 3.986 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000339946379 1016007958 /nfs/dbraw/zinc/00/79/58/1016007958.db2.gz QQMISJGZJSPCHW-UHFFFAOYSA-N -1 1 332.350 3.650 20 0 EHADMM CC1(C)C[C@H](N(Cc2occc2C(=O)[O-])Cc2ccccc2)CO1 ZINC001593853274 996630833 /nfs/dbraw/zinc/63/08/33/996630833.db2.gz CRAWWBPGWMRGPG-HNNXBMFYSA-N -1 1 329.396 3.548 20 0 EHADMM C[C@]12CCN(Cc3ccc(C(=O)[O-])c(F)c3)C[C@H]1C2(Cl)Cl ZINC001594087204 998011913 /nfs/dbraw/zinc/01/19/13/998011913.db2.gz BSFVOOSIYMRGST-OCCSQVGLSA-N -1 1 332.202 3.540 20 0 EHADMM COc1ccc(Cl)cc1CN[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599578327 998483970 /nfs/dbraw/zinc/48/39/70/998483970.db2.gz WFXBSHVZKBPOJK-QGZVFWFLSA-N -1 1 333.815 3.881 20 0 EHADMM C[C@H]1CC[C@@](NCc2ccncc2Cl)(C(=O)[O-])c2ccccc21 ZINC001594322198 999240966 /nfs/dbraw/zinc/24/09/66/999240966.db2.gz ZWPSBVCEWJUIES-SGTLLEGYSA-N -1 1 330.815 3.702 20 0 EHADMM O=C(NCCc1ccc(OC(F)F)cc1)c1c([O-])cccc1Cl ZINC000143464094 1016830910 /nfs/dbraw/zinc/83/09/10/1016830910.db2.gz QQGBSERWZSDYSB-UHFFFAOYSA-N -1 1 341.741 3.620 20 0 EHADMM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340327701 1016950469 /nfs/dbraw/zinc/95/04/69/1016950469.db2.gz CSAYZQDMIVYNCP-UHFFFAOYSA-N -1 1 331.343 3.532 20 0 EHADMM O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc(F)cc1[O-] ZINC000340329957 1016952672 /nfs/dbraw/zinc/95/26/72/1016952672.db2.gz IQSDWYAGZQHTTK-UHFFFAOYSA-N -1 1 341.342 3.543 20 0 EHADMM CC(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2[O-])cc1F ZINC000340329839 1016954175 /nfs/dbraw/zinc/95/41/75/1016954175.db2.gz HEZVDJUGPGINJU-UHFFFAOYSA-N -1 1 337.347 3.604 20 0 EHADMM CC(C)C[C@@H](NCc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC000590186240 1017056426 /nfs/dbraw/zinc/05/64/26/1017056426.db2.gz CEONGGKLZZMUEJ-CYBMUJFWSA-N -1 1 327.852 3.892 20 0 EHADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc12 ZINC000536701555 1032161328 /nfs/dbraw/zinc/16/13/28/1032161328.db2.gz XPSJWAYSCWRKLG-UHFFFAOYSA-N -1 1 341.436 3.551 20 0 EHADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000536736881 1032234784 /nfs/dbraw/zinc/23/47/84/1032234784.db2.gz FXDKIRDAANERET-UHFFFAOYSA-N -1 1 335.450 3.534 20 0 EHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cnc(CC(C)(C)C)s1 ZINC000904886023 1032272967 /nfs/dbraw/zinc/27/29/67/1032272967.db2.gz WOBTVLRGHSVTTK-UHFFFAOYSA-N -1 1 345.371 3.882 20 0 EHADMM CC(C)Oc1ccc(Cc2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000436690881 1032280692 /nfs/dbraw/zinc/28/06/92/1032280692.db2.gz RGJVBXSJVLXANM-UHFFFAOYSA-N -1 1 328.343 3.959 20 0 EHADMM Cn1[n-]cc2c(=NC(=O)c3csc(C4CCCCC4)c3)ccnc1-2 ZINC000904938568 1032299295 /nfs/dbraw/zinc/29/92/95/1032299295.db2.gz ARFGUYQBINGQJI-UHFFFAOYSA-N -1 1 340.452 3.703 20 0 EHADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C)c2)cc1 ZINC000655601842 1017195478 /nfs/dbraw/zinc/19/54/78/1017195478.db2.gz SRYRHEJVCWUZEC-UHFFFAOYSA-N -1 1 339.844 3.638 20 0 EHADMM Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182871012 1017196002 /nfs/dbraw/zinc/19/60/02/1017196002.db2.gz PZPWDCZOGLOJFP-UHFFFAOYSA-N -1 1 346.799 3.520 20 0 EHADMM Cc1cc(F)c(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1F ZINC000683454236 1017223544 /nfs/dbraw/zinc/22/35/44/1017223544.db2.gz FXHWMEIDJSTGSB-UHFFFAOYSA-N -1 1 336.363 3.621 20 0 EHADMM CC1(C)CN(C(=O)c2cc(Br)ccc2[O-])[C@@H]2CCC[C@@H]21 ZINC000378833828 1017303375 /nfs/dbraw/zinc/30/33/75/1017303375.db2.gz LHAWWIZZGSPWNM-QWHCGFSZSA-N -1 1 338.245 3.805 20 0 EHADMM CCc1nc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cs1 ZINC000537408787 1032710849 /nfs/dbraw/zinc/71/08/49/1032710849.db2.gz OTSINKRXJPWMKW-UHFFFAOYSA-N -1 1 344.358 3.702 20 0 EHADMM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000606530721 1032739489 /nfs/dbraw/zinc/73/94/89/1032739489.db2.gz NYSNZGRAYPFZJX-LBPRGKRZSA-N -1 1 339.370 3.739 20 0 EHADMM C[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)N1CCc2ccccc21 ZINC000656014756 1018229440 /nfs/dbraw/zinc/22/94/40/1018229440.db2.gz VZUSLWWWHPDLGL-GFCCVEGCSA-N -1 1 339.370 3.575 20 0 EHADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000396788109 1032760536 /nfs/dbraw/zinc/76/05/36/1032760536.db2.gz YMOPFCFTMPBLIW-LBPRGKRZSA-N -1 1 326.234 3.805 20 0 EHADMM Cc1nc(S(C)(=O)=O)ccc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210925864 1019049700 /nfs/dbraw/zinc/04/97/00/1019049700.db2.gz DENGTMFQFYOJAN-UHFFFAOYSA-N -1 1 347.223 3.550 20 0 EHADMM Cc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)ns1 ZINC000556846340 1019082684 /nfs/dbraw/zinc/08/26/84/1019082684.db2.gz MGQUPRXWYLMUES-UHFFFAOYSA-N -1 1 347.621 3.825 20 0 EHADMM O=C([O-])C1(NCc2ccc(-c3nc4ccccc4s3)o2)CCC1 ZINC000340675620 1019156998 /nfs/dbraw/zinc/15/69/98/1019156998.db2.gz IQZOVEKLCIUXCO-UHFFFAOYSA-N -1 1 328.393 3.653 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000433603338 1019431302 /nfs/dbraw/zinc/43/13/02/1019431302.db2.gz LNZTWYDSWISWEW-UHFFFAOYSA-N -1 1 343.448 3.959 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1OC(F)F ZINC000513431345 1019657637 /nfs/dbraw/zinc/65/76/37/1019657637.db2.gz GZFGFTFLPXEYGV-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM Cc1cnc(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000580660454 1019807863 /nfs/dbraw/zinc/80/78/63/1019807863.db2.gz PCMYKRKTUJPJBQ-LBPRGKRZSA-N -1 1 345.468 3.907 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000055638420 1020063666 /nfs/dbraw/zinc/06/36/66/1020063666.db2.gz DODFBGZWOJFOCI-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2c([O-])cccc2Cl)s1 ZINC000760370298 1032904648 /nfs/dbraw/zinc/90/46/48/1032904648.db2.gz UJWXWGLGXSPRAR-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc4ccccc4o3)[nH]n2)o1 ZINC000581349789 1020727367 /nfs/dbraw/zinc/72/73/67/1020727367.db2.gz LRERPUGKAZIAMI-UHFFFAOYSA-N -1 1 343.364 3.525 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCCC[C@@H]1c1ncon1 ZINC000276314959 1021024514 /nfs/dbraw/zinc/02/45/14/1021024514.db2.gz ZAOMTHBSZWYYHM-MRXNPFEDSA-N -1 1 337.379 3.686 20 0 EHADMM CSc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000656633812 1021063866 /nfs/dbraw/zinc/06/38/66/1021063866.db2.gz OIGCZHKMMAAIJU-UHFFFAOYSA-N -1 1 345.877 3.640 20 0 EHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc1 ZINC000656636121 1021064565 /nfs/dbraw/zinc/06/45/65/1021064565.db2.gz TXLOMUTURXSYKJ-UHFFFAOYSA-N -1 1 331.437 3.684 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000439118619 1021164468 /nfs/dbraw/zinc/16/44/68/1021164468.db2.gz MFFCBQLWDMTKGW-JQWIXIFHSA-N -1 1 345.374 3.581 20 0 EHADMM C[C@@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(F)c(F)c1 ZINC000439123053 1021165854 /nfs/dbraw/zinc/16/58/54/1021165854.db2.gz YXNMJAZLMJSJKA-SECBINFHSA-N -1 1 333.363 3.581 20 0 EHADMM COc1cc(-c2nc(-c3cn(C)nc3C(C)C)no2)cc(Cl)c1[O-] ZINC000436780855 1021209196 /nfs/dbraw/zinc/20/91/96/1021209196.db2.gz HBSFMXFGHJIFJL-UHFFFAOYSA-N -1 1 348.790 3.628 20 0 EHADMM Cc1ccc(CS(=O)(=O)[N-]c2nccc(C)c2C2CC2)c(F)c1 ZINC000656739096 1021235400 /nfs/dbraw/zinc/23/54/00/1021235400.db2.gz LNYDBWRFTZDZLC-UHFFFAOYSA-N -1 1 334.416 3.657 20 0 EHADMM O=C(Nc1ccc(-c2ncon2)cc1)c1ccc2ccccc2c1[O-] ZINC000436793813 1021236925 /nfs/dbraw/zinc/23/69/25/1021236925.db2.gz SZUGIVNBJOMREN-UHFFFAOYSA-N -1 1 331.331 3.848 20 0 EHADMM COc1ccccc1[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000436793365 1021238212 /nfs/dbraw/zinc/23/82/12/1021238212.db2.gz QNHAVQJWVPLHJG-SFHVURJKSA-N -1 1 341.338 3.652 20 0 EHADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(OC)cc1 ZINC000436823268 1021273987 /nfs/dbraw/zinc/27/39/87/1021273987.db2.gz UCCQMAAJXKJIPM-OAHLLOKOSA-N -1 1 349.814 3.944 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)ccc1F ZINC000427302153 1021292093 /nfs/dbraw/zinc/29/20/93/1021292093.db2.gz NLURHUONNMCPTK-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])nn1-c1ccc(C)cc1 ZINC000436870000 1021311355 /nfs/dbraw/zinc/31/13/55/1021311355.db2.gz GCVNFSJDRNAFOH-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM Cc1cn(-c2ccccc2)nc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877491 1021328445 /nfs/dbraw/zinc/32/84/45/1021328445.db2.gz GPZYXSWTFMWHKV-UHFFFAOYSA-N -1 1 336.326 3.742 20 0 EHADMM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc(F)cc1[O-] ZINC000436890294 1021340262 /nfs/dbraw/zinc/34/02/62/1021340262.db2.gz YJQDZCUZWZEBOG-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM O=c1ccnc(C(=Cc2cc(F)c([O-])c(F)c2)Cc2ccccc2)[nH]1 ZINC000436888593 1021340890 /nfs/dbraw/zinc/34/08/90/1021340890.db2.gz OEBXSFDJRPEHIY-NTEUORMPSA-N -1 1 340.329 3.537 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2c1c(F)ccc2F ZINC000436909030 1021354792 /nfs/dbraw/zinc/35/47/92/1021354792.db2.gz XKSHHZHNDIGCDJ-UHFFFAOYSA-N -1 1 343.251 3.892 20 0 EHADMM C[C@@H]1CCC[C@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000436914122 1021367089 /nfs/dbraw/zinc/36/70/89/1021367089.db2.gz KRDOTELYUUTDPB-KOLCDFICSA-N -1 1 334.807 3.596 20 0 EHADMM C[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000436914122 1021367105 /nfs/dbraw/zinc/36/71/05/1021367105.db2.gz KRDOTELYUUTDPB-KOLCDFICSA-N -1 1 334.807 3.596 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H](C)c3ccc(C)cc3)no2)c1 ZINC000436931946 1021367386 /nfs/dbraw/zinc/36/73/86/1021367386.db2.gz LSGBRCJXSHAUCK-GFCCVEGCSA-N -1 1 337.379 3.861 20 0 EHADMM Cc1c(NC(=O)c2cc(F)ccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000436924416 1021385633 /nfs/dbraw/zinc/38/56/33/1021385633.db2.gz FNFAJSCIXFTJOH-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM Cc1cccc([C@H](NC(=O)C(=O)c2ccc([O-])cc2)C(C)(C)C)c1 ZINC000436938572 1021400880 /nfs/dbraw/zinc/40/08/80/1021400880.db2.gz JRNWRPVVRJOPEC-SFHVURJKSA-N -1 1 325.408 3.787 20 0 EHADMM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1[O-] ZINC000436942707 1021404168 /nfs/dbraw/zinc/40/41/68/1021404168.db2.gz XEYYIFVJJDOFOW-PBHICJAKSA-N -1 1 349.789 3.835 20 0 EHADMM COc1c(Cl)cc(NC(=O)C(=O)c2ccc([O-])cc2)cc1Cl ZINC000436966732 1021415300 /nfs/dbraw/zinc/41/53/00/1021415300.db2.gz MVUKJQISGSHVBL-UHFFFAOYSA-N -1 1 340.162 3.529 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H]3CCN(c4ccccc4F)C3)n2)c(F)c1 ZINC000436954942 1021418671 /nfs/dbraw/zinc/41/86/71/1021418671.db2.gz JBUOPKDSDJUJLG-LLVKDONJSA-N -1 1 343.333 3.714 20 0 EHADMM Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436997418 1021453320 /nfs/dbraw/zinc/45/33/20/1021453320.db2.gz IREPUEMRIGWTQC-SFHVURJKSA-N -1 1 325.408 3.787 20 0 EHADMM CC1(C)CC[C@H]2C[C@@H](NC(=O)C(=O)c3ccc([O-])cc3)c3cccc1c32 ZINC000436995542 1021454071 /nfs/dbraw/zinc/45/40/71/1021454071.db2.gz IUYIZYCGFWGZSE-KBXCAEBGSA-N -1 1 349.430 3.991 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2csc(-c3cccs3)n2)n1 ZINC000188110321 1021824612 /nfs/dbraw/zinc/82/46/12/1021824612.db2.gz ZDPMYEXYZYACRX-UHFFFAOYSA-N -1 1 335.479 3.810 20 0 EHADMM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1 ZINC000476179929 1033022474 /nfs/dbraw/zinc/02/24/74/1033022474.db2.gz YMGKLSGHVMHVBM-UHFFFAOYSA-N -1 1 343.688 3.886 20 0 EHADMM CC[C@@H](CSC)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000593740403 1033022838 /nfs/dbraw/zinc/02/28/38/1033022838.db2.gz XGCXIZVNNPNHDB-JTQLQIEISA-N -1 1 346.290 3.721 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC000126123163 1022150151 /nfs/dbraw/zinc/15/01/51/1022150151.db2.gz LRIGXHYBSAGGNL-UHFFFAOYSA-N -1 1 335.450 3.802 20 0 EHADMM C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000517370360 1022290410 /nfs/dbraw/zinc/29/04/10/1022290410.db2.gz FNBPBUVYLAPVNB-TVQRCGJNSA-N -1 1 335.753 3.901 20 0 EHADMM C[C@H]1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000517370360 1022290423 /nfs/dbraw/zinc/29/04/23/1022290423.db2.gz FNBPBUVYLAPVNB-TVQRCGJNSA-N -1 1 335.753 3.901 20 0 EHADMM CCC(CC)n1ccc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])n1 ZINC000519541521 1022310506 /nfs/dbraw/zinc/31/05/06/1022310506.db2.gz GMMYPKZPPUIXPI-INIZCTEOSA-N -1 1 343.471 3.967 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1cc(F)c(Cl)cc1F ZINC000119444068 1033053406 /nfs/dbraw/zinc/05/34/06/1033053406.db2.gz VDZBDOHNAGKVLQ-UHFFFAOYSA-N -1 1 325.674 3.660 20 0 EHADMM Cc1nc(CNCc2cc(Cl)cc(Cl)c2)ccc1C(=O)[O-] ZINC000426661197 1022484699 /nfs/dbraw/zinc/48/46/99/1022484699.db2.gz SHIFBAURUKGTCI-UHFFFAOYSA-N -1 1 325.195 3.685 20 0 EHADMM C[C@H](OCCCNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000280780186 1022653360 /nfs/dbraw/zinc/65/33/60/1022653360.db2.gz NHFKEKJNRNXLRU-LBPRGKRZSA-N -1 1 335.350 3.568 20 0 EHADMM CCN1C(=O)CCc2cc(NCc3cccc([O-])c3Cl)ccc21 ZINC000293175929 1022739381 /nfs/dbraw/zinc/73/93/81/1022739381.db2.gz GVELSUTVUMMVPB-UHFFFAOYSA-N -1 1 330.815 3.957 20 0 EHADMM O=S(=O)([N-][C@H]1CCCc2sccc21)c1cc(F)c(F)cc1F ZINC000341649574 1022797008 /nfs/dbraw/zinc/79/70/08/1022797008.db2.gz JQZPDYHHXCVSTO-LBPRGKRZSA-N -1 1 347.383 3.521 20 0 EHADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc2O1 ZINC000517975483 1022891310 /nfs/dbraw/zinc/89/13/10/1022891310.db2.gz NFDVGWHIFMLCKA-ZDUSSCGKSA-N -1 1 339.416 3.964 20 0 EHADMM Cc1ccc2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)[n-]c(=O)c2c1 ZINC000426124545 1022953072 /nfs/dbraw/zinc/95/30/72/1022953072.db2.gz STPVXLTUIIXPLA-AWEZNQCLSA-N -1 1 347.418 3.523 20 0 EHADMM CCOc1cc(-c2noc([C@@H](OC)C3CCC3)n2)cc(Cl)c1[O-] ZINC000664847206 1022977676 /nfs/dbraw/zinc/97/76/76/1022977676.db2.gz WMMRWQPFJQJSNO-AWEZNQCLSA-N -1 1 338.791 3.982 20 0 EHADMM CCCSC[C@H](NCc1cnc(-c2cccs2)s1)C(=O)[O-] ZINC000426764781 1023017027 /nfs/dbraw/zinc/01/70/27/1023017027.db2.gz BHSNBONTEMJRDR-NSHDSACASA-N -1 1 342.511 3.558 20 0 EHADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc2c(c1)CCC2 ZINC000509546210 1023039055 /nfs/dbraw/zinc/03/90/55/1023039055.db2.gz YBPIUFFGPRILGX-UHFFFAOYSA-N -1 1 330.434 3.586 20 0 EHADMM CCc1ccc([C@@H](NCc2cc(Cl)cc3c2OCC3)C(=O)[O-])cc1 ZINC000426805668 1023046474 /nfs/dbraw/zinc/04/64/74/1023046474.db2.gz DOPLSFNSDAKYRD-QGZVFWFLSA-N -1 1 345.826 3.753 20 0 EHADMM COc1ccc(OC)c(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000426801639 1023055485 /nfs/dbraw/zinc/05/54/85/1023055485.db2.gz VLMDPQPPAQFIDK-QGZVFWFLSA-N -1 1 349.814 3.581 20 0 EHADMM COC(=O)c1cc([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)oc1C ZINC000430988642 1023095504 /nfs/dbraw/zinc/09/55/04/1023095504.db2.gz MOBSLBCOPSHJHH-SECBINFHSA-N -1 1 334.397 3.601 20 0 EHADMM O=S(=O)([N-]c1ccsc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000189742850 1023097686 /nfs/dbraw/zinc/09/76/86/1023097686.db2.gz LEKUUBNPWMLXSH-UHFFFAOYSA-N -1 1 342.751 3.616 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427121787 1023232038 /nfs/dbraw/zinc/23/20/38/1023232038.db2.gz LPYBXUWYCREZTM-UHFFFAOYSA-N -1 1 332.450 3.968 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000439054131 1023245095 /nfs/dbraw/zinc/24/50/95/1023245095.db2.gz DSSNVUAGIBGYOI-UWJYYQICSA-N -1 1 345.402 3.625 20 0 EHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000471993177 1024009322 /nfs/dbraw/zinc/00/93/22/1024009322.db2.gz RXFIAFMLRUIPKG-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM CCCOc1c(OC)cc(C(=O)[O-])cc1-c1cc(C(F)(F)F)n[nH]1 ZINC000657203064 1024071209 /nfs/dbraw/zinc/07/12/09/1024071209.db2.gz JCYBWALJGPESDR-UHFFFAOYSA-N -1 1 344.289 3.591 20 0 EHADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000522597491 1024100286 /nfs/dbraw/zinc/10/02/86/1024100286.db2.gz NLGSFODAJLUJLZ-UHFFFAOYSA-N -1 1 339.844 3.986 20 0 EHADMM CC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]2CCC[C@H]2O1 ZINC000441573420 1024106640 /nfs/dbraw/zinc/10/66/40/1024106640.db2.gz ZSHRGOBJVUEEQV-IAGOWNOFSA-N -1 1 325.408 3.718 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000324264467 1024340931 /nfs/dbraw/zinc/34/09/31/1024340931.db2.gz IKVGIQFWXPLGFU-CQSZACIVSA-N -1 1 349.818 3.609 20 0 EHADMM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc2ccccc2cc1[O-] ZINC000109975626 1024363616 /nfs/dbraw/zinc/36/36/16/1024363616.db2.gz GMKAUBKYZYOCLG-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM CCc1ccc(NC(=O)[C@@H](C)Sc2nc(CC)c(C)c(=O)[n-]2)cc1 ZINC000657263672 1024431251 /nfs/dbraw/zinc/43/12/51/1024431251.db2.gz QLYPJRPXKMISNZ-GFCCVEGCSA-N -1 1 345.468 3.735 20 0 EHADMM Cc1nc(-c2ccc(N3CCc4ccccc4[C@H]3C)nc2)[n-]c(=O)c1C ZINC000425223223 1024453518 /nfs/dbraw/zinc/45/35/18/1024453518.db2.gz BSFWQQISWXGTKD-OAHLLOKOSA-N -1 1 346.434 3.985 20 0 EHADMM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000097010848 1024473174 /nfs/dbraw/zinc/47/31/74/1024473174.db2.gz WDYOIRDPXWFJJX-CQSZACIVSA-N -1 1 338.407 3.659 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3Cl)[nH]c2c1 ZINC000427625378 1024482031 /nfs/dbraw/zinc/48/20/31/1024482031.db2.gz FAXHZNKYYXMFTQ-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1OC(C)C ZINC000607616818 1033217417 /nfs/dbraw/zinc/21/74/17/1033217417.db2.gz SGJFFCHSUIDUCN-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449801870 1033221469 /nfs/dbraw/zinc/22/14/69/1033221469.db2.gz IWECEKXWGUDPPA-VIFPVBQESA-N -1 1 327.306 3.699 20 0 EHADMM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895605676 1024664734 /nfs/dbraw/zinc/66/47/34/1024664734.db2.gz SLVZVQUPOGISAB-SFHVURJKSA-N -1 1 336.391 3.567 20 0 EHADMM O=C(Nc1ccc(Br)cc1F)c1c(F)ccc([O-])c1F ZINC000507873849 1024742390 /nfs/dbraw/zinc/74/23/90/1024742390.db2.gz KGSMLJDQHLCDIL-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM Cc1ccccc1CN(Cc1nc(=O)c2sccc2[n-]1)C1CC1 ZINC000346508345 1024788250 /nfs/dbraw/zinc/78/82/50/1024788250.db2.gz VCOISMRJDIISAY-UHFFFAOYSA-N -1 1 325.437 3.870 20 0 EHADMM CC(C)C(=O)c1ccc([C@@H](C)C(=O)[N-]OCc2ccccc2)cc1 ZINC000283480777 1024823816 /nfs/dbraw/zinc/82/38/16/1024823816.db2.gz NEPUJNWFUUATGP-OAHLLOKOSA-N -1 1 325.408 3.877 20 0 EHADMM C[C@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435438595 1024926674 /nfs/dbraw/zinc/92/66/74/1024926674.db2.gz QLYIPRMKSFPWRA-SSDOTTSWSA-N -1 1 326.220 3.599 20 0 EHADMM CCCC[C@H](CC)CCCN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000664493450 1025007526 /nfs/dbraw/zinc/00/75/26/1025007526.db2.gz WYIYSXLMUWMRQD-HNNXBMFYSA-N -1 1 343.471 3.992 20 0 EHADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000435969175 1025252431 /nfs/dbraw/zinc/25/24/31/1025252431.db2.gz DEFJJDITVIQERI-UHFFFAOYSA-N -1 1 349.452 3.629 20 0 EHADMM CC(C)n1cc([C@@H](C)NC(=O)c2ccc3ccc(O)cc3c2[O-])cn1 ZINC000896325956 1025342798 /nfs/dbraw/zinc/34/27/98/1025342798.db2.gz JNRWXUJXIHCPNC-GFCCVEGCSA-N -1 1 339.395 3.519 20 0 EHADMM COCCOc1cccc(CCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000474732695 1025400385 /nfs/dbraw/zinc/40/03/85/1025400385.db2.gz CQQVDLLAHWVDBB-UHFFFAOYSA-N -1 1 349.814 3.642 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)n1 ZINC000436195475 1025467089 /nfs/dbraw/zinc/46/70/89/1025467089.db2.gz DUZQIEGXRVBRMU-SSDOTTSWSA-N -1 1 342.342 3.525 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2cncc(Br)c2)[n-]1 ZINC000436240369 1025488810 /nfs/dbraw/zinc/48/88/10/1025488810.db2.gz AOLKBYPGCTWXLX-UHFFFAOYSA-N -1 1 338.230 3.509 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)c1 ZINC000451079889 1025502912 /nfs/dbraw/zinc/50/29/12/1025502912.db2.gz PNJWCZNDAUWKAY-UHFFFAOYSA-N -1 1 329.421 3.569 20 0 EHADMM CC(C)[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N1CCCC[C@H]1C ZINC000436255332 1025512114 /nfs/dbraw/zinc/51/21/14/1025512114.db2.gz UURUEDZPNJNAFJ-WBMJQRKESA-N -1 1 349.500 3.577 20 0 EHADMM C[C@@H](CS(=O)(=O)[N-]c1ccccc1OCCF)c1ccccc1 ZINC000451089252 1025527761 /nfs/dbraw/zinc/52/77/61/1025527761.db2.gz XXZDKINHBOPFRH-AWEZNQCLSA-N -1 1 337.416 3.580 20 0 EHADMM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1sccc1Cl ZINC000451164897 1025626529 /nfs/dbraw/zinc/62/65/29/1025626529.db2.gz CCJLKPARKLCGNE-UHFFFAOYSA-N -1 1 327.858 3.626 20 0 EHADMM CCOc1cc(-c2nc(-c3ccc(O)cc3)no2)cc(Cl)c1[O-] ZINC000443103587 1025714353 /nfs/dbraw/zinc/71/43/53/1025714353.db2.gz RVGYQBBZWROZRT-UHFFFAOYSA-N -1 1 332.743 3.867 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c1 ZINC000436479097 1025758264 /nfs/dbraw/zinc/75/82/64/1025758264.db2.gz SPHKNQFYQQLAGM-UHFFFAOYSA-N -1 1 345.449 3.568 20 0 EHADMM CCc1cccnc1-c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443208384 1025814159 /nfs/dbraw/zinc/81/41/59/1025814159.db2.gz BDKYJKFVKZDMPY-UHFFFAOYSA-N -1 1 331.759 3.729 20 0 EHADMM COc1cccc2c1[C@H](c1nc(-c3ccc([O-])c(F)c3)no1)CC2 ZINC000436522017 1025823953 /nfs/dbraw/zinc/82/39/53/1025823953.db2.gz QAIGDEUUBVSHIW-GFCCVEGCSA-N -1 1 326.327 3.668 20 0 EHADMM O=C(Nc1nc2ccccc2n1C1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436518129 1025847272 /nfs/dbraw/zinc/84/72/72/1025847272.db2.gz XDOOMZAKXDVFMO-UHFFFAOYSA-N -1 1 349.390 3.678 20 0 EHADMM Cc1nc(C)c(CCNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436554338 1025860624 /nfs/dbraw/zinc/86/06/24/1025860624.db2.gz KLPHDNURFHAWAQ-UHFFFAOYSA-N -1 1 326.421 3.591 20 0 EHADMM COc1cc(C(=O)N2Cc3ccccc3C[C@H]2C)cc(Cl)c1[O-] ZINC000443266475 1025862648 /nfs/dbraw/zinc/86/26/48/1025862648.db2.gz CHDSFLHOHWBFCK-LLVKDONJSA-N -1 1 331.799 3.641 20 0 EHADMM COc1cc(C)c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C ZINC000277547420 1025864118 /nfs/dbraw/zinc/86/41/18/1025864118.db2.gz BUAOQCLYVGBZJE-UHFFFAOYSA-N -1 1 343.427 3.666 20 0 EHADMM CC(C)N(Cc1ccco1)C(=O)c1ccc(Br)cc1[O-] ZINC000436538836 1025865413 /nfs/dbraw/zinc/86/54/13/1025865413.db2.gz 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ZINC000436557227 1025883540 /nfs/dbraw/zinc/88/35/40/1025883540.db2.gz NBRIRKCVBPCEAS-SFHVURJKSA-N -1 1 345.826 3.822 20 0 EHADMM COc1cc(C(=O)NC[C@@H](C)Cc2cccs2)cc(Cl)c1[O-] ZINC000443290140 1025883556 /nfs/dbraw/zinc/88/35/56/1025883556.db2.gz OLJKTJVSXUWCKF-JTQLQIEISA-N -1 1 339.844 3.724 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCc2ccc(F)cc21)c1cc2ccccc2o1 ZINC000530486062 1025922323 /nfs/dbraw/zinc/92/23/23/1025922323.db2.gz BXMGBZCOSJVNOM-MRXNPFEDSA-N -1 1 345.395 3.928 20 0 EHADMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)cc(C)c1Br ZINC000436605836 1025935580 /nfs/dbraw/zinc/93/55/80/1025935580.db2.gz GDPLIWARYCDMKT-UHFFFAOYSA-N -1 1 348.196 3.593 20 0 EHADMM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc([O-])cc1F ZINC000436603486 1025936735 /nfs/dbraw/zinc/93/67/35/1025936735.db2.gz HIMSWSGWOIXXQS-SFHVURJKSA-N -1 1 329.371 3.690 20 0 EHADMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451415638 1025947709 /nfs/dbraw/zinc/94/77/09/1025947709.db2.gz WHXMNCCRPVDDHL-SECBINFHSA-N -1 1 335.322 3.598 20 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/nfs/dbraw/zinc/06/78/50/1026067850.db2.gz GRXLXKHPEHCPTI-UHFFFAOYSA-N -1 1 332.787 3.689 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1c(F)cncc1F ZINC000436712888 1026080923 /nfs/dbraw/zinc/08/09/23/1026080923.db2.gz IAVMCSDTHDFLJS-JTQLQIEISA-N -1 1 328.318 3.710 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccccc1)CC(F)F ZINC000436719736 1026091080 /nfs/dbraw/zinc/09/10/80/1026091080.db2.gz PUDOXSAXMGURKA-UHFFFAOYSA-N -1 1 325.742 3.953 20 0 EHADMM Cc1sc(NC(=O)c2ccc(O)cc2[O-])nc1-c1ccc(F)cc1 ZINC000436744425 1026114709 /nfs/dbraw/zinc/11/47/09/1026114709.db2.gz MDPAYTBKKBFOHM-UHFFFAOYSA-N -1 1 344.367 3.921 20 0 EHADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2O)n[nH]1 ZINC000436729347 1026119019 /nfs/dbraw/zinc/11/90/19/1026119019.db2.gz ARMNSIOYKPMWCN-VXGBXAGGSA-N -1 1 330.432 3.638 20 0 EHADMM COCCN(CCc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436761055 1026129961 /nfs/dbraw/zinc/12/99/61/1026129961.db2.gz VJMGMRLCWNPYQA-UHFFFAOYSA-N -1 1 349.430 3.877 20 0 EHADMM COCCN(CCc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436759703 1026130924 /nfs/dbraw/zinc/13/09/24/1026130924.db2.gz DWWCJMGKMMDUDZ-UHFFFAOYSA-N -1 1 349.430 3.877 20 0 EHADMM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000436756655 1026147700 /nfs/dbraw/zinc/14/77/00/1026147700.db2.gz SCDAWZZUWVGDJY-UHFFFAOYSA-N -1 1 329.249 3.725 20 0 EHADMM CC(C)(C)OC1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000896972649 1026188362 /nfs/dbraw/zinc/18/83/62/1026188362.db2.gz JGKMQLCBBYRFAT-UHFFFAOYSA-N -1 1 343.423 3.671 20 0 EHADMM COc1ccc2c(c1)CCN2C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872122 1026265561 /nfs/dbraw/zinc/26/55/61/1026265561.db2.gz PBJNXKWXBSOJAY-UHFFFAOYSA-N -1 1 337.297 3.623 20 0 EHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000192729628 1026339346 /nfs/dbraw/zinc/33/93/46/1026339346.db2.gz CSNWVQVLCLCIFQ-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cc(F)ccc1O ZINC000751224197 1026423623 /nfs/dbraw/zinc/42/36/23/1026423623.db2.gz IZBSWIBQFVDXKI-BQYQJAHWSA-N -1 1 327.764 3.597 20 0 EHADMM CCOc1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000301327555 1026763271 /nfs/dbraw/zinc/76/32/71/1026763271.db2.gz BRLCMLZMLKWPRV-UHFFFAOYSA-N -1 1 348.362 3.712 20 0 EHADMM Cc1nc(-c2ccc(NCCCOC3CCCC3)nc2)[n-]c(=O)c1C ZINC000301404204 1026792897 /nfs/dbraw/zinc/79/28/97/1026792897.db2.gz KQGRNULXODSUHU-UHFFFAOYSA-N -1 1 342.443 3.622 20 0 EHADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cc(Cl)ccc1O ZINC000176702893 1026794234 /nfs/dbraw/zinc/79/42/34/1026794234.db2.gz MXVCLYDNRPCMLO-BQYQJAHWSA-N -1 1 327.764 3.597 20 0 EHADMM Cc1ccc(CN(C)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)s1 ZINC000301434262 1026806070 /nfs/dbraw/zinc/80/60/70/1026806070.db2.gz WJKMXUXQDCKZNQ-UHFFFAOYSA-N -1 1 340.452 3.867 20 0 EHADMM O=c1nc(-c2ccon2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000074797435 1027077585 /nfs/dbraw/zinc/07/75/85/1027077585.db2.gz LDHNVBFLRNQQHJ-UHFFFAOYSA-N -1 1 329.768 3.960 20 0 EHADMM C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@@H]1c1ccccc1 ZINC000129734824 1027597666 /nfs/dbraw/zinc/59/76/66/1027597666.db2.gz SUDCNRPJQAVMRN-ZFWWWQNUSA-N -1 1 339.464 3.610 20 0 EHADMM CCS(=O)(=O)[N-]c1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000130202383 1027647780 /nfs/dbraw/zinc/64/77/80/1027647780.db2.gz ACOXJZGWEYHYET-UHFFFAOYSA-N -1 1 330.331 3.529 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cc2ccccc2o1 ZINC000548773767 1027830060 /nfs/dbraw/zinc/83/00/60/1027830060.db2.gz RHWODZKQJBTDOC-NSHDSACASA-N -1 1 329.368 3.537 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)c(F)cc1Br ZINC000533547162 1028061614 /nfs/dbraw/zinc/06/16/14/1028061614.db2.gz SWKQQAWNCLKXAQ-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cc(F)c(F)cc3F)[nH][n-]2)c1 ZINC000444811574 1028314827 /nfs/dbraw/zinc/31/48/27/1028314827.db2.gz IMLIBDJAWIHECO-UHFFFAOYSA-N -1 1 349.287 3.616 20 0 EHADMM CSc1ccccc1C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444812515 1028317508 /nfs/dbraw/zinc/31/75/08/1028317508.db2.gz KYAYHBBVZGKQCX-UHFFFAOYSA-N -1 1 341.411 3.920 20 0 EHADMM 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/nfs/dbraw/zinc/75/60/31/1036756031.db2.gz OWGFQIKXTOBOGD-GFCCVEGCSA-N -1 1 325.437 3.865 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3C)ccc2n1C ZINC000038192607 1037089301 /nfs/dbraw/zinc/08/93/01/1037089301.db2.gz WVLMEXKPDOOWDU-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM COC(=O)c1cc([O-])c(Br)c(O[C@@H]2CCCC[C@H]2F)c1 ZINC001233907729 1037282218 /nfs/dbraw/zinc/28/22/18/1037282218.db2.gz KMRJLAQODOLZHI-MWLCHTKSSA-N -1 1 347.180 3.601 20 0 EHADMM CN(Cc1ccc(F)cc1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058204896 1037606895 /nfs/dbraw/zinc/60/68/95/1037606895.db2.gz ZAEKTBQEGXERMI-UHFFFAOYSA-N -1 1 348.472 3.822 20 0 EHADMM CC(C)=CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058255021 1037706290 /nfs/dbraw/zinc/70/62/90/1037706290.db2.gz NLSNRJWMDMATPR-UHFFFAOYSA-N -1 1 344.436 3.701 20 0 EHADMM CC(C)[C@@H]1N(C(=O)c2cnc(C3CC3)[n-]c2=O)CC12CCCCCC2 ZINC000913763742 1037784627 /nfs/dbraw/zinc/78/46/27/1037784627.db2.gz QHTQKQATTYFUGZ-INIZCTEOSA-N -1 1 343.471 3.881 20 0 EHADMM CCCCO[C@H](C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182921662 1037922204 /nfs/dbraw/zinc/92/22/04/1037922204.db2.gz ZDLVCAZDFFHCNZ-SNVBAGLBSA-N -1 1 330.222 3.607 20 0 EHADMM Cc1nn(C)c(C)c1Nc1cc(Br)cc(Cl)c1[O-] ZINC001174230090 1132292065 /nfs/dbraw/zinc/29/20/65/1132292065.db2.gz YJKSZIVDQYAFBQ-UHFFFAOYSA-N -1 1 330.613 3.902 20 0 EHADMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cncs1 ZINC000552028777 1038626801 /nfs/dbraw/zinc/62/68/01/1038626801.db2.gz PCFZJLISKGIWDX-GFCCVEGCSA-N -1 1 342.449 3.715 20 0 EHADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1C)C(C)(C)C ZINC000431889998 1038816423 /nfs/dbraw/zinc/81/64/23/1038816423.db2.gz PAHYYGBAEHABNA-MRXNPFEDSA-N -1 1 336.457 3.666 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cc(C)ccc2OC(F)F)n1 ZINC000488264930 1039023891 /nfs/dbraw/zinc/02/38/91/1039023891.db2.gz PXIWNQHIIQSJGJ-UHFFFAOYSA-N -1 1 326.368 3.947 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C1CCC1)C1CCC1 ZINC000554330728 1039228288 /nfs/dbraw/zinc/22/82/88/1039228288.db2.gz KBVJBLGBQNPCTH-UHFFFAOYSA-N -1 1 325.412 3.937 20 0 EHADMM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000911316019 1039328288 /nfs/dbraw/zinc/32/82/88/1039328288.db2.gz DMLQWAAPUHOAON-INIZCTEOSA-N -1 1 337.423 3.673 20 0 EHADMM COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc(Cl)c1[O-] ZINC000554484056 1039380651 /nfs/dbraw/zinc/38/06/51/1039380651.db2.gz RSBCEFDFVAUPAU-INIZCTEOSA-N -1 1 346.814 3.673 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)CC(F)(F)F ZINC000660198629 1039712734 /nfs/dbraw/zinc/71/27/34/1039712734.db2.gz QOJACQAAJYPBGW-UHFFFAOYSA-N -1 1 347.761 3.736 20 0 EHADMM CC(/C=C/c1cc(=O)n2[n-]cnc2n1)=C\c1ccccc1C(F)(F)F ZINC000486147493 1039920173 /nfs/dbraw/zinc/92/01/73/1039920173.db2.gz QVTRBWLCXVDXOU-HRCSPUOPSA-N -1 1 346.312 3.553 20 0 EHADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000479106411 1039971316 /nfs/dbraw/zinc/97/13/16/1039971316.db2.gz JLYJQYOEMODZNB-UHFFFAOYSA-N -1 1 329.425 3.796 20 0 EHADMM O=C([O-])C[C@H](CNCc1ccc(Oc2ccccc2)o1)C(F)(F)F ZINC000417618879 1040070814 /nfs/dbraw/zinc/07/08/14/1040070814.db2.gz DNBPYHDATCANQM-LLVKDONJSA-N -1 1 343.301 3.815 20 0 EHADMM CC(C)COc1ccccc1CNCc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000417649798 1040111400 /nfs/dbraw/zinc/11/14/00/1040111400.db2.gz SMFSYQHLBZGVOK-UHFFFAOYSA-N -1 1 349.377 3.988 20 0 EHADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(F)cc1 ZINC000479307179 1040111973 /nfs/dbraw/zinc/11/19/73/1040111973.db2.gz MSTQZONWSUIGOV-UHFFFAOYSA-N -1 1 328.368 3.689 20 0 EHADMM CC(C)(C)[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)c2ccccc21 ZINC000907775112 1040163696 /nfs/dbraw/zinc/16/36/96/1040163696.db2.gz QJUOZEFBBVHWKN-HNNXBMFYSA-N -1 1 337.423 3.850 20 0 EHADMM CC1(C)CC[C@@H](CC(=O)Nc2cccc([O-])c2Br)OC1 ZINC000908716846 1040609966 /nfs/dbraw/zinc/60/99/66/1040609966.db2.gz BJLORSOWDWPHJK-JTQLQIEISA-N -1 1 342.233 3.689 20 0 EHADMM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cncc([O-])c3)cc2)cs1 ZINC000339879918 1040680742 /nfs/dbraw/zinc/68/07/42/1040680742.db2.gz NCZCRNLZTBPZHB-NSHDSACASA-N -1 1 339.420 3.710 20 0 EHADMM CCOC(=O)C(C)(C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000600135666 1040707266 /nfs/dbraw/zinc/70/72/66/1040707266.db2.gz KZIUPDDPYCYAKC-UHFFFAOYSA-N -1 1 335.787 3.727 20 0 EHADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(Br)c([O-])c1 ZINC000487787551 1041097926 /nfs/dbraw/zinc/09/79/26/1041097926.db2.gz DLWHGOQCRUDDRO-DMDPSCGWSA-N -1 1 338.245 3.853 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)C1(Cc2ccccc2)CCOCC1 ZINC000909988147 1041121712 /nfs/dbraw/zinc/12/17/12/1041121712.db2.gz XLRYTTPOCWZPKU-UHFFFAOYSA-N -1 1 347.361 3.648 20 0 EHADMM CC(C)[C@@H](C)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000500943802 1041427772 /nfs/dbraw/zinc/42/77/72/1041427772.db2.gz ASUORFYDKFTGPU-MRVPVSSYSA-N -1 1 342.262 3.553 20 0 EHADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2sccc2C)c1 ZINC000432055323 1041496382 /nfs/dbraw/zinc/49/63/82/1041496382.db2.gz QIKZAWHLKPJBFG-UHFFFAOYSA-N -1 1 329.830 3.713 20 0 EHADMM CCCCc1nc(C)c(CC(=O)Nc2ccc([O-])c(F)c2F)s1 ZINC000909372276 1042267585 /nfs/dbraw/zinc/26/75/85/1042267585.db2.gz MRQDBDXOVYVPIY-UHFFFAOYSA-N -1 1 340.395 3.959 20 0 EHADMM COc1ccc(OC)c([C@@H]2CCCN2Cc2csc(C(=O)[O-])c2)c1 ZINC000652380841 1042436335 /nfs/dbraw/zinc/43/63/35/1042436335.db2.gz NLVYSJDUSILVAL-HNNXBMFYSA-N -1 1 347.436 3.801 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2ncsc2Br)n1 ZINC000663233980 1042576897 /nfs/dbraw/zinc/57/68/97/1042576897.db2.gz MLZOKGDFIIRMPP-UHFFFAOYSA-N -1 1 346.275 3.646 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(Br)o2)no1 ZINC000184877013 1042619375 /nfs/dbraw/zinc/61/93/75/1042619375.db2.gz HXOXZFLUWFDHSC-UHFFFAOYSA-N -1 1 325.093 3.604 20 0 EHADMM Cc1cccc([C@H](NC(=O)c2c([O-])cccc2F)c2ccccn2)c1 ZINC000185864654 1042643627 /nfs/dbraw/zinc/64/36/27/1042643627.db2.gz BWCAUNVYBNBDLU-IBGZPJMESA-N -1 1 336.366 3.754 20 0 EHADMM Cc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1Br ZINC000091477034 1042760016 /nfs/dbraw/zinc/76/00/16/1042760016.db2.gz XZKGFSGUCLCDKW-UHFFFAOYSA-N -1 1 340.261 3.834 20 0 EHADMM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccsc1 ZINC000350127428 1042844274 /nfs/dbraw/zinc/84/42/74/1042844274.db2.gz YHESZBLSNRKNOP-UHFFFAOYSA-N -1 1 330.434 3.535 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)C)cc2)cc1C ZINC000007054962 1042846057 /nfs/dbraw/zinc/84/60/57/1042846057.db2.gz SETZPOBPNUTVKY-UHFFFAOYSA-N -1 1 347.436 3.669 20 0 EHADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1 ZINC000318750722 1043718691 /nfs/dbraw/zinc/71/86/91/1043718691.db2.gz UREMWTUWPJJEEI-UHFFFAOYSA-N -1 1 340.832 3.571 20 0 EHADMM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000187043065 1043776100 /nfs/dbraw/zinc/77/61/00/1043776100.db2.gz JTKLPNZVFGIBNK-APPDUMDISA-N -1 1 349.789 3.787 20 0 EHADMM COc1cc(C(=O)NCCOC2CCCCCC2)cc(Cl)c1[O-] ZINC000153850429 1125667516 /nfs/dbraw/zinc/66/75/16/1125667516.db2.gz IPLYYASKOXTKOB-UHFFFAOYSA-N -1 1 341.835 3.523 20 0 EHADMM Cc1cc(NC(=O)c2ccccc2[O-])ccc1NC(=O)c1ccco1 ZINC000154904825 1125764303 /nfs/dbraw/zinc/76/43/03/1125764303.db2.gz KUOPSEPTQZQRDR-UHFFFAOYSA-N -1 1 336.347 3.798 20 0 EHADMM CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cncc([O-])c1 ZINC000622621467 1126737201 /nfs/dbraw/zinc/73/72/01/1126737201.db2.gz GIGAJDUJZJEVJE-GOSISDBHSA-N -1 1 332.831 3.828 20 0 EHADMM COc1ccc(Cl)cc1C(C)(C)NC(=O)c1c([O-])cccc1F ZINC000622733265 1126753781 /nfs/dbraw/zinc/75/37/81/1126753781.db2.gz RHGWXXGSUBZSGX-UHFFFAOYSA-N -1 1 337.778 3.858 20 0 EHADMM O=C(c1nc[n-]c1-c1nc([C@@H]2CCC(F)(F)C2)no1)c1ccccc1 ZINC000350337086 1127072782 /nfs/dbraw/zinc/07/27/82/1127072782.db2.gz ZRHZQOVUVSZZCJ-LLVKDONJSA-N -1 1 344.321 3.594 20 0 EHADMM CCOc1cc(-c2noc(-c3cnc(C)s3)n2)cc(Cl)c1[O-] ZINC000350791596 1127102020 /nfs/dbraw/zinc/10/20/20/1127102020.db2.gz JGISUQZIHZCEMZ-UHFFFAOYSA-N -1 1 337.788 3.926 20 0 EHADMM CCO[C@H](C)c1ncc(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000350812430 1127104114 /nfs/dbraw/zinc/10/41/14/1127104114.db2.gz GVLMWYRVTCZZCT-MRVPVSSYSA-N -1 1 335.360 3.802 20 0 EHADMM CC(C)(C)c1ncc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)s1 ZINC000623776920 1127161405 /nfs/dbraw/zinc/16/14/05/1127161405.db2.gz HEXZVRGHMDVUAS-UHFFFAOYSA-N -1 1 328.441 3.944 20 0 EHADMM C[C@H](NC(=O)c1ccc(F)cc1[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000764222526 1127464192 /nfs/dbraw/zinc/46/41/92/1127464192.db2.gz ZYRNJAFXQNWNTJ-QMMMGPOBSA-N -1 1 333.750 3.552 20 0 EHADMM CC[C@@H](c1ccccc1)S(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000195128287 1127474217 /nfs/dbraw/zinc/47/42/17/1127474217.db2.gz ABEMKACGGBWLMB-HNNXBMFYSA-N -1 1 345.399 3.536 20 0 EHADMM CC[C@@H](c1ccccc1)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195128287 1127474222 /nfs/dbraw/zinc/47/42/22/1127474222.db2.gz ABEMKACGGBWLMB-HNNXBMFYSA-N -1 1 345.399 3.536 20 0 EHADMM O=C(Nc1ccc(-n2ccnc2)cc1)c1cc2ccccc2cc1[O-] ZINC000030608413 1127822672 /nfs/dbraw/zinc/82/26/72/1127822672.db2.gz RBYRMEKTUMJBBQ-UHFFFAOYSA-N -1 1 329.359 3.983 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000031669190 1127838690 /nfs/dbraw/zinc/83/86/90/1127838690.db2.gz NXOWHXJZAFEJHE-UHFFFAOYSA-N -1 1 346.452 3.644 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000032587689 1127853946 /nfs/dbraw/zinc/85/39/46/1127853946.db2.gz KPHOOPHQYRTAPO-UHFFFAOYSA-N -1 1 330.384 3.737 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CC=CCC2)cc1 ZINC000172396722 1127935355 /nfs/dbraw/zinc/93/53/55/1127935355.db2.gz KJZCIVCOFOYUEA-OAHLLOKOSA-N -1 1 342.468 3.531 20 0 EHADMM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2cccs2)n1 ZINC000078994695 1128005897 /nfs/dbraw/zinc/00/58/97/1128005897.db2.gz IIEUJKNIKPZKCF-UHFFFAOYSA-N -1 1 334.451 3.853 20 0 EHADMM O=C(NCc1cc(-c2ccccc2)no1)c1cc(Cl)ccc1[O-] ZINC000058476719 1128069380 /nfs/dbraw/zinc/06/93/80/1128069380.db2.gz NKJFSPHUWPNBJV-UHFFFAOYSA-N -1 1 328.755 3.631 20 0 EHADMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000069823200 1128292719 /nfs/dbraw/zinc/29/27/19/1128292719.db2.gz ZNWZWHBSTWDVBS-NSHDSACASA-N -1 1 343.370 3.576 20 0 EHADMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074272089 1128337915 /nfs/dbraw/zinc/33/79/15/1128337915.db2.gz XAOLMRDMEVUANA-UHFFFAOYSA-N -1 1 349.434 3.905 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cccc(C(F)(F)F)c3C)no2)n[n-]1 ZINC001212430072 1128591622 /nfs/dbraw/zinc/59/16/22/1128591622.db2.gz YRDONZGQRSRDHO-UHFFFAOYSA-N -1 1 336.273 3.657 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cccc(C(F)(F)F)c3C)no2)[n-]n1 ZINC001212430072 1128591624 /nfs/dbraw/zinc/59/16/24/1128591624.db2.gz YRDONZGQRSRDHO-UHFFFAOYSA-N -1 1 336.273 3.657 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(F)cc1Cl ZINC000303664339 1128686700 /nfs/dbraw/zinc/68/67/00/1128686700.db2.gz BVUNTWPKNYBBAZ-MRVPVSSYSA-N -1 1 349.761 3.797 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000672116755 1128767472 /nfs/dbraw/zinc/76/74/72/1128767472.db2.gz VDPWEACCBUQNAP-CYBMUJFWSA-N -1 1 339.317 3.502 20 0 EHADMM O=S(=O)([N-]CC1CC=CC1)c1sc2ccccc2c1Cl ZINC001670404059 1120069938 /nfs/dbraw/zinc/06/99/38/1120069938.db2.gz BKQFKCKDPXWRLL-UHFFFAOYSA-N -1 1 327.858 3.799 20 0 EHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000195439186 1120784441 /nfs/dbraw/zinc/78/44/41/1120784441.db2.gz NLPWNWOKYNHOOE-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM CC1(C)CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000227410683 1120880538 /nfs/dbraw/zinc/88/05/38/1120880538.db2.gz PJOFWYUVVLQTIS-NSHDSACASA-N -1 1 326.234 3.853 20 0 EHADMM Cc1[nH]c2ccccc2c1C(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000470443872 1120909129 /nfs/dbraw/zinc/90/91/29/1120909129.db2.gz BDUYHEVJIZJBPT-UHFFFAOYSA-N -1 1 339.420 3.824 20 0 EHADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n[nH]1 ZINC000761842471 1120985127 /nfs/dbraw/zinc/98/51/27/1120985127.db2.gz TZIVFMAOEYUQQX-CMDGGOBGSA-N -1 1 337.420 3.550 20 0 EHADMM COc1nc([N-][C@@H](c2ccccn2)C(F)(F)F)nc2ccsc21 ZINC001168480675 1120986178 /nfs/dbraw/zinc/98/61/78/1120986178.db2.gz ZFYULDRIESEEIR-NSHDSACASA-N -1 1 340.330 3.810 20 0 EHADMM CCc1ccccc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000231348300 1121029191 /nfs/dbraw/zinc/02/91/91/1121029191.db2.gz CAZMWVWHNLGDJH-UHFFFAOYSA-N -1 1 334.213 3.647 20 0 EHADMM COc1ccc(-c2nc(Cc3cccc(F)c3Cl)no2)c([O-])c1 ZINC000762134600 1121120592 /nfs/dbraw/zinc/12/05/92/1121120592.db2.gz NMWJPWZWOXWQEA-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM O=C([N-][C@@H]1COc2ccc(Cl)cc21)C(F)(F)c1ccc(F)cc1 ZINC000762379332 1121271814 /nfs/dbraw/zinc/27/18/14/1121271814.db2.gz SVPIAZFWGDQBDY-CYBMUJFWSA-N -1 1 341.716 3.821 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(C3CCC3)C2)c([O-])c1 ZINC000495760319 1121404726 /nfs/dbraw/zinc/40/47/26/1121404726.db2.gz DHIJEFNJGNIRQO-UHFFFAOYSA-N -1 1 346.427 3.611 20 0 EHADMM O=C([N-]c1c(F)cc(F)cc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000316014300 1121522183 /nfs/dbraw/zinc/52/21/83/1121522183.db2.gz IMTNZBSFMLXLCH-UHFFFAOYSA-N -1 1 330.649 3.918 20 0 EHADMM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cn[nH]c1-c1ccccc1 ZINC000762962862 1121615441 /nfs/dbraw/zinc/61/54/41/1121615441.db2.gz OWYAXBHAXQXDDB-UHFFFAOYSA-N -1 1 336.376 3.759 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C(F)(F)F)c1 ZINC000054293439 1121751722 /nfs/dbraw/zinc/75/17/22/1121751722.db2.gz ZLFQTBYVKSJQPM-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM Cc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)sc1C ZINC000055315187 1121813703 /nfs/dbraw/zinc/81/37/03/1121813703.db2.gz NHEDRVRTERCYJG-UHFFFAOYSA-N -1 1 343.448 3.806 20 0 EHADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000326213262 1121846006 /nfs/dbraw/zinc/84/60/06/1121846006.db2.gz FKWFXHPKGGDSCC-UHFFFAOYSA-N -1 1 348.443 3.844 20 0 EHADMM CCc1onc(C)c1[N-]C(=O)c1nc(-c2ccccc2F)oc1C ZINC000153917481 1122107514 /nfs/dbraw/zinc/10/75/14/1122107514.db2.gz CUHKWDCGHFLBQO-UHFFFAOYSA-N -1 1 329.331 3.900 20 0 EHADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c(C)c1 ZINC000497180947 1122362514 /nfs/dbraw/zinc/36/25/14/1122362514.db2.gz NQISSOXXGKPYSO-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM CC(C)(C)c1cnc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)o1 ZINC000127018700 1122456947 /nfs/dbraw/zinc/45/69/47/1122456947.db2.gz UVNKLZVJVSNWQD-UHFFFAOYSA-N -1 1 333.335 3.779 20 0 EHADMM COc1ccc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)c([O-])c1 ZINC000917767747 1122678808 /nfs/dbraw/zinc/67/88/08/1122678808.db2.gz DAANGFLUURLGKY-UHFFFAOYSA-N -1 1 348.349 3.532 20 0 EHADMM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670419587 1122710661 /nfs/dbraw/zinc/71/06/61/1122710661.db2.gz YWXFYIIJOUOSPY-XOKHGSTOSA-N -1 1 347.336 3.869 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1Br ZINC000070140398 1122856189 /nfs/dbraw/zinc/85/61/89/1122856189.db2.gz FZDRPZGDSHIMOB-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM COc1cc(C(F)(F)F)ccc1-c1noc(-c2ncccc2[O-])n1 ZINC001212481066 1129085940 /nfs/dbraw/zinc/08/59/40/1129085940.db2.gz YMQLGIBGKGNZLB-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM O=C([O-])[C@]1(NCc2cccc(Cl)c2F)CCc2c1cccc2F ZINC000556323533 1122929565 /nfs/dbraw/zinc/92/95/65/1122929565.db2.gz VBFGGWREBBBIFR-KRWDZBQOSA-N -1 1 337.753 3.634 20 0 EHADMM Clc1ccccc1-c1ccc(CNC2(c3nn[n-]n3)CCCC2)o1 ZINC000499246810 1123295852 /nfs/dbraw/zinc/29/58/52/1123295852.db2.gz UANPGCXTEAGHSR-UHFFFAOYSA-N -1 1 343.818 3.672 20 0 EHADMM Clc1ccccc1-c1ccc(CNC2(c3nnn[n-]3)CCCC2)o1 ZINC000499246810 1123295858 /nfs/dbraw/zinc/29/58/58/1123295858.db2.gz UANPGCXTEAGHSR-UHFFFAOYSA-N -1 1 343.818 3.672 20 0 EHADMM O=C(NCc1cccc(Br)c1)c1c([O-])cccc1Cl ZINC000920444574 1123369752 /nfs/dbraw/zinc/36/97/52/1123369752.db2.gz HZQURRZVZGHINX-UHFFFAOYSA-N -1 1 340.604 3.738 20 0 EHADMM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cn1 ZINC000135643471 1123634941 /nfs/dbraw/zinc/63/49/41/1123634941.db2.gz WTXYWRFUEHSSRU-UHFFFAOYSA-N -1 1 334.228 3.572 20 0 EHADMM CC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000079055453 1123666958 /nfs/dbraw/zinc/66/69/58/1123666958.db2.gz UKJTWEFCWCHSJC-LLVKDONJSA-N -1 1 326.234 3.807 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)s1 ZINC000615252417 1123768075 /nfs/dbraw/zinc/76/80/75/1123768075.db2.gz RWKWUVCHBLBXSJ-CYBMUJFWSA-N -1 1 349.399 3.892 20 0 EHADMM CC(C)(NC(=O)c1cncc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000670778528 1123873488 /nfs/dbraw/zinc/87/34/88/1123873488.db2.gz BCQCONAERFETSQ-UHFFFAOYSA-N -1 1 325.195 3.759 20 0 EHADMM C[C@@H](CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000734533172 1131248433 /nfs/dbraw/zinc/24/84/33/1131248433.db2.gz PAMRNHBYVNSOHD-AWEZNQCLSA-N -1 1 346.471 3.679 20 0 EHADMM O=C(Cc1csc2ccccc12)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617367290 1124500028 /nfs/dbraw/zinc/50/00/28/1124500028.db2.gz OAUQXJLQZQKFEH-UHFFFAOYSA-N -1 1 339.445 3.956 20 0 EHADMM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1cc2ccccc2o1 ZINC000084937687 1124606063 /nfs/dbraw/zinc/60/60/63/1124606063.db2.gz CPUCHLRRCMCOIK-UHFFFAOYSA-N -1 1 327.405 3.657 20 0 EHADMM Cc1cccc(CO[N-]C(=O)C2(Cc3ccc(Cl)cc3)CC2)n1 ZINC000825539360 1131278246 /nfs/dbraw/zinc/27/82/46/1131278246.db2.gz WIVBSISNBCOGDY-UHFFFAOYSA-N -1 1 330.815 3.614 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000617667205 1124717638 /nfs/dbraw/zinc/71/76/38/1124717638.db2.gz YGXGHPAMZFVJST-IMRBUKKESA-N -1 1 333.476 3.590 20 0 EHADMM O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1cncc([O-])c1 ZINC000619127261 1124815803 /nfs/dbraw/zinc/81/58/03/1124815803.db2.gz WYFIARGMKRWDMU-UHFFFAOYSA-N -1 1 344.255 3.571 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1ccc(Cl)cc1F ZINC000499720909 1129410202 /nfs/dbraw/zinc/41/02/02/1129410202.db2.gz TXNBERGGOUMSBT-SECBINFHSA-N -1 1 341.782 3.583 20 0 EHADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000466478320 1129479272 /nfs/dbraw/zinc/47/92/72/1129479272.db2.gz ZIJNPLYFNFTIJU-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM Cc1c(Cl)cccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000429119108 1129822303 /nfs/dbraw/zinc/82/23/03/1129822303.db2.gz ZRNQJLNBULEMFA-UHFFFAOYSA-N -1 1 327.771 3.996 20 0 EHADMM CCCN(CC)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000509162080 1129874449 /nfs/dbraw/zinc/87/44/49/1129874449.db2.gz BJNJIFQAWVCBOF-UHFFFAOYSA-N -1 1 333.819 3.929 20 0 EHADMM Cc1ocnc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000347842946 1129915691 /nfs/dbraw/zinc/91/56/91/1129915691.db2.gz HKHCUPLBNJIGPO-UHFFFAOYSA-N -1 1 338.751 3.546 20 0 EHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c1 ZINC000673981369 1129932720 /nfs/dbraw/zinc/93/27/20/1129932720.db2.gz DASPTBPKZIITLC-UHFFFAOYSA-N -1 1 340.404 3.547 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1 ZINC000509221137 1130013299 /nfs/dbraw/zinc/01/32/99/1130013299.db2.gz WILUVERLZGHPFC-UHFFFAOYSA-N -1 1 348.493 3.810 20 0 EHADMM Cc1ccc(-c2nsc([N-]C(=O)c3ncoc3C(C)C)n2)s1 ZINC000731985642 1130875119 /nfs/dbraw/zinc/87/51/19/1130875119.db2.gz ANRVNONMJSTCRH-UHFFFAOYSA-N -1 1 334.426 3.939 20 0 EHADMM Cc1ccc(COc2cccc(NC(=O)c3cncc([O-])c3)c2)cc1 ZINC000732296249 1130908292 /nfs/dbraw/zinc/90/82/92/1130908292.db2.gz RVMYDXCRUGJEIK-UHFFFAOYSA-N -1 1 334.375 3.927 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC(OCc2ccccc2)CC1 ZINC000144223125 1131161114 /nfs/dbraw/zinc/16/11/14/1131161114.db2.gz RVPASWUDDZDEBC-UHFFFAOYSA-N -1 1 345.826 3.867 20 0 EHADMM O=S(=O)(Oc1ccc(Cl)cc1C1CCCCC1)c1c[n-]cn1 ZINC000736626065 1131428347 /nfs/dbraw/zinc/42/83/47/1131428347.db2.gz VDMWVTRJSNHION-UHFFFAOYSA-N -1 1 340.832 3.879 20 0 EHADMM Cc1ccc([C@@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000743294888 1131892709 /nfs/dbraw/zinc/89/27/09/1131892709.db2.gz AGICWNLEJWDYPD-CQSZACIVSA-N -1 1 341.407 3.519 20 0 EHADMM Cc1cc(F)cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1F ZINC001212689749 1131901391 /nfs/dbraw/zinc/90/13/91/1131901391.db2.gz PPAZYARNWZMMDB-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1cc(F)cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1F ZINC001212689749 1131901396 /nfs/dbraw/zinc/90/13/96/1131901396.db2.gz PPAZYARNWZMMDB-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(Cl)c(C)c2N)c1 ZINC000744852417 1132157773 /nfs/dbraw/zinc/15/77/73/1132157773.db2.gz VFVXOULHCWPLCC-UHFFFAOYSA-N -1 1 347.798 3.538 20 0 EHADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCC1CCCCC1 ZINC000744880540 1132164033 /nfs/dbraw/zinc/16/40/33/1132164033.db2.gz KXZGCEJKAMJEFZ-UHFFFAOYSA-N -1 1 339.457 3.575 20 0 EHADMM CS(=O)(=O)c1ccccc1Nc1cc(Cl)c([O-])cc1Cl ZINC001173989479 1132196751 /nfs/dbraw/zinc/19/67/51/1132196751.db2.gz LAOUFOLMCYPOTL-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM CC(C)S(=O)(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174270772 1132307076 /nfs/dbraw/zinc/30/70/76/1132307076.db2.gz LETADVNUCRKJSZ-UHFFFAOYSA-N -1 1 327.352 3.596 20 0 EHADMM Cc1ccc(-c2nc(CNC(=O)c3cc(Cl)ccc3[O-])co2)cc1 ZINC000745985064 1132344527 /nfs/dbraw/zinc/34/45/27/1132344527.db2.gz QAVJTGJKGHPQDK-UHFFFAOYSA-N -1 1 342.782 3.939 20 0 EHADMM O=C(CCc1cnc[nH]1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000189535714 1132445959 /nfs/dbraw/zinc/44/59/59/1132445959.db2.gz PDKAJJWAEONJOX-UHFFFAOYSA-N -1 1 334.590 3.647 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(F)F)cc2)c1 ZINC001174713176 1132449783 /nfs/dbraw/zinc/44/97/83/1132449783.db2.gz QSBVGZFIMBXBOH-UHFFFAOYSA-N -1 1 327.352 3.867 20 0 EHADMM COCc1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1OC ZINC001174919940 1132505917 /nfs/dbraw/zinc/50/59/17/1132505917.db2.gz LENMMUBEZMVYJU-UHFFFAOYSA-N -1 1 337.375 3.953 20 0 EHADMM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1[O-] ZINC000766575123 1132652135 /nfs/dbraw/zinc/65/21/35/1132652135.db2.gz FLKRPXZVZZNERO-UHFFFAOYSA-N -1 1 325.408 3.988 20 0 EHADMM CCOC(=O)c1sc([N-]c2cscn2)c(C(=O)OCC)c1C ZINC001175938593 1132791064 /nfs/dbraw/zinc/79/10/64/1132791064.db2.gz YXUHNVUZGIUEIA-UHFFFAOYSA-N -1 1 340.426 3.610 20 0 EHADMM CC1(C)C=C(n2[n-]c(CC(=O)c3ccccc3)nc2=N)CC(C)(C)C1 ZINC001175946898 1132811246 /nfs/dbraw/zinc/81/12/46/1132811246.db2.gz HLMZFTVDDKRHLW-UHFFFAOYSA-N -1 1 338.455 3.803 20 0 EHADMM CSc1nc(Nc2ccc(OCc3ccccc3)nc2)cc(=O)[n-]1 ZINC001176300401 1132907602 /nfs/dbraw/zinc/90/76/02/1132907602.db2.gz IXGRGXYEYYUOJL-UHFFFAOYSA-N -1 1 340.408 3.622 20 0 EHADMM COC[C@@H](C)N(C(=O)c1ccc(F)c([O-])c1)[C@H]1CCc2ccccc21 ZINC001169954356 1132908604 /nfs/dbraw/zinc/90/86/04/1132908604.db2.gz NEIUYRMTRBSVCB-ACJLOTCBSA-N -1 1 343.398 3.696 20 0 EHADMM CSc1ncc(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)c(=O)[n-]1 ZINC001176448693 1132936711 /nfs/dbraw/zinc/93/67/11/1132936711.db2.gz UEQUSKPSTBBKFO-UHFFFAOYSA-N -1 1 335.404 3.593 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(OC(C)C)cc2)n1 ZINC000767061544 1132938822 /nfs/dbraw/zinc/93/88/22/1132938822.db2.gz FFQPRBDFYXIFOL-UHFFFAOYSA-N -1 1 332.425 3.507 20 0 EHADMM CCCCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000767085856 1132946821 /nfs/dbraw/zinc/94/68/21/1132946821.db2.gz YYOHTLWBUHOSEA-SECBINFHSA-N -1 1 325.261 3.636 20 0 EHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000767157587 1132960939 /nfs/dbraw/zinc/96/09/39/1132960939.db2.gz NLCXXRCGAPFOQJ-CWTRNNRKSA-N -1 1 339.366 3.536 20 0 EHADMM O=C(OCc1ccn(-c2ccc(Cl)cc2)n1)c1ccc([O-])cc1F ZINC000767590099 1133022273 /nfs/dbraw/zinc/02/22/73/1133022273.db2.gz YINPUHIXZUDIOQ-UHFFFAOYSA-N -1 1 346.745 3.727 20 0 EHADMM Cc1ccsc1/C=C/C(=O)Nc1nc(Br)ccc1[O-] ZINC001177070735 1133027732 /nfs/dbraw/zinc/02/77/32/1133027732.db2.gz MNHIWPYBESBGOT-HWKANZROSA-N -1 1 339.214 3.572 20 0 EHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC001177114171 1133033207 /nfs/dbraw/zinc/03/32/07/1133033207.db2.gz NNHNKONZDFSNQB-SECBINFHSA-N -1 1 343.276 3.921 20 0 EHADMM C[C@@]1(Cc2ccccc2)SCCN1C(=O)c1ccc([O-])c(F)c1 ZINC001178169587 1133144377 /nfs/dbraw/zinc/14/43/77/1133144377.db2.gz NLNRMEQGBBKFSE-SFHVURJKSA-N -1 1 331.412 3.679 20 0 EHADMM CC(C)(C)Oc1cccc(CNC(=O)c2c([O-])cccc2Cl)n1 ZINC000768519360 1133148582 /nfs/dbraw/zinc/14/85/82/1133148582.db2.gz YEXOCMGEZDTICS-UHFFFAOYSA-N -1 1 334.803 3.548 20 0 EHADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])c1nc2ccccc2o1 ZINC000746571221 1133795294 /nfs/dbraw/zinc/79/52/94/1133795294.db2.gz SZSXPJYFHCFKGO-JTQLQIEISA-N -1 1 330.771 3.720 20 0 EHADMM Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3c[n-][nH]c3=O)c2c1 ZINC001183563043 1133823878 /nfs/dbraw/zinc/82/38/78/1133823878.db2.gz PQYADQYDODZPGG-UHFFFAOYSA-N -1 1 344.374 3.891 20 0 EHADMM O=C([N-]CCCSCCOc1ccc(Cl)cc1)C(F)(F)F ZINC000774679493 1133853023 /nfs/dbraw/zinc/85/30/23/1133853023.db2.gz JRAKDZAOBIWKCR-UHFFFAOYSA-N -1 1 341.782 3.521 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1coc(=O)c2ccccc12 ZINC001184393350 1133933349 /nfs/dbraw/zinc/93/33/49/1133933349.db2.gz KVLOFVWKAATJCR-UHFFFAOYSA-N -1 1 333.702 3.543 20 0 EHADMM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000787702929 1134032010 /nfs/dbraw/zinc/03/20/10/1134032010.db2.gz GYEXNMXOEROUCI-LBPRGKRZSA-N -1 1 339.304 3.880 20 0 EHADMM COc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185484810 1134097487 /nfs/dbraw/zinc/09/74/87/1134097487.db2.gz LWWMQVJBPLNNTM-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC3)ccc1Cl ZINC001185521555 1134102420 /nfs/dbraw/zinc/10/24/20/1134102420.db2.gz WPKXFBRLRSBEBD-UHFFFAOYSA-N -1 1 335.812 3.578 20 0 EHADMM CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185991733 1134154163 /nfs/dbraw/zinc/15/41/63/1134154163.db2.gz ZHPVYAQDVFSBRK-UHFFFAOYSA-N -1 1 329.425 3.661 20 0 EHADMM CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1[O-])C1CCOCC1 ZINC001185995035 1134154288 /nfs/dbraw/zinc/15/42/88/1134154288.db2.gz XSEHLSWOLJHQBU-UHFFFAOYSA-N -1 1 331.334 3.802 20 0 EHADMM CCOC(=O)c1c(NC(=O)c2ccc([O-])c(F)c2)sc2c1CCC2 ZINC001186202215 1134180939 /nfs/dbraw/zinc/18/09/39/1134180939.db2.gz MSUAMONAQUOCIK-UHFFFAOYSA-N -1 1 349.383 3.511 20 0 EHADMM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC001186220194 1134188755 /nfs/dbraw/zinc/18/87/55/1134188755.db2.gz ZRVUNXNXXBQYPY-MRXNPFEDSA-N -1 1 329.371 3.655 20 0 EHADMM C[C@H]1OC2(CCN(C(=O)c3ccc([O-])cc3F)CC2)c2ccccc21 ZINC001186326384 1134195923 /nfs/dbraw/zinc/19/59/23/1134195923.db2.gz COMHZFQGTCBVQJ-CYBMUJFWSA-N -1 1 341.382 3.754 20 0 EHADMM C[C@@H]1OC2(CCN(C(=O)c3ccc([O-])cc3F)CC2)c2ccccc21 ZINC001186326385 1134196178 /nfs/dbraw/zinc/19/61/78/1134196178.db2.gz COMHZFQGTCBVQJ-ZDUSSCGKSA-N -1 1 341.382 3.754 20 0 EHADMM COC(=O)c1cc2cccc(NC(=O)c3ccc([O-])cc3F)c2s1 ZINC001186329293 1134202728 /nfs/dbraw/zinc/20/27/28/1134202728.db2.gz OVPJFTRSHIDQQD-UHFFFAOYSA-N -1 1 345.351 3.785 20 0 EHADMM O=C(NCC(F)(F)F)Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001187090454 1134297718 /nfs/dbraw/zinc/29/77/18/1134297718.db2.gz FHNXATJQNAMCFX-UHFFFAOYSA-N -1 1 336.619 3.748 20 0 EHADMM O=C(Nc1cccc(Br)c1)Nc1cc(Cl)ncc1[O-] ZINC001187441885 1134335894 /nfs/dbraw/zinc/33/58/94/1134335894.db2.gz ZQLHCEJKJFYKAW-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM CC(C)c1nn(C)c(Cl)c1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000789897593 1134346917 /nfs/dbraw/zinc/34/69/17/1134346917.db2.gz LVIKIXSLRPVKMF-LLVKDONJSA-N -1 1 341.864 3.564 20 0 EHADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])c(Br)s1 ZINC000790047663 1134364482 /nfs/dbraw/zinc/36/44/82/1134364482.db2.gz MPMAMBFSTLOLHW-UHFFFAOYSA-N -1 1 347.621 3.825 20 0 EHADMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC001187876677 1134397883 /nfs/dbraw/zinc/39/78/83/1134397883.db2.gz XUHAGITYKWUSLI-WDEREUQCSA-N -1 1 339.935 3.744 20 0 EHADMM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000202732655 1134422578 /nfs/dbraw/zinc/42/25/78/1134422578.db2.gz YOPJWNVAZDJBQD-UHFFFAOYSA-N -1 1 345.251 3.860 20 0 EHADMM O=C(Nc1nc2c(s1)CCC2)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188564156 1134477105 /nfs/dbraw/zinc/47/71/05/1134477105.db2.gz SKGLNLOKBWXHIM-UHFFFAOYSA-N -1 1 328.315 3.609 20 0 EHADMM CC(C)(O)c1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000775219108 1134540624 /nfs/dbraw/zinc/54/06/24/1134540624.db2.gz YATJTJZOGAZTMH-UHFFFAOYSA-N -1 1 335.403 3.703 20 0 EHADMM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC001189239072 1134555808 /nfs/dbraw/zinc/55/58/08/1134555808.db2.gz HOYHQHGPGYDMLV-UHFFFAOYSA-N -1 1 337.828 3.906 20 0 EHADMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cc2c(s1)CCCC2 ZINC001189652831 1134612229 /nfs/dbraw/zinc/61/22/29/1134612229.db2.gz JVKTVMQJCDPUKZ-UHFFFAOYSA-N -1 1 343.420 3.847 20 0 EHADMM O=S(=O)([N-]CC1CCCCCC1)c1cc2cc(F)ccc2o1 ZINC001190346079 1134686104 /nfs/dbraw/zinc/68/61/04/1134686104.db2.gz CIJOPAIHHLRTIJ-UHFFFAOYSA-N -1 1 325.405 3.821 20 0 EHADMM O=S(=O)([N-]c1ccc(OCC2CC2)nc1)c1ccc(C2CC2)cc1 ZINC001190481422 1134701184 /nfs/dbraw/zinc/70/11/84/1134701184.db2.gz YSZSIYWUPMLWEZ-UHFFFAOYSA-N -1 1 344.436 3.549 20 0 EHADMM Cc1cc2c([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cccc2nn1 ZINC001190501195 1134706880 /nfs/dbraw/zinc/70/68/80/1134706880.db2.gz XMZRDYAYFIRUKQ-UHFFFAOYSA-N -1 1 339.420 3.616 20 0 EHADMM COc1cc(C(=O)Nc2ccc(F)c3cnccc23)cc(Cl)c1[O-] ZINC001191148996 1134801712 /nfs/dbraw/zinc/80/17/12/1134801712.db2.gz ZEUNMDAUQWPZAP-UHFFFAOYSA-N -1 1 346.745 3.994 20 0 EHADMM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cnccc1Cl ZINC001191663771 1134901543 /nfs/dbraw/zinc/90/15/43/1134901543.db2.gz YRJDXEWIEATPPQ-UHFFFAOYSA-N -1 1 340.832 3.668 20 0 EHADMM CN(C(=O)c1ccc(C(C)(C)C)cc1[O-])c1nc(Cl)ccc1N ZINC001192314461 1134997876 /nfs/dbraw/zinc/99/78/76/1134997876.db2.gz QJALNLDGZBLHEE-UHFFFAOYSA-N -1 1 333.819 3.597 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2ccccc2-n2cncn2)c([O-])c1 ZINC001192322556 1134999405 /nfs/dbraw/zinc/99/94/05/1134999405.db2.gz DKBUXWFGGXHVGK-UHFFFAOYSA-N -1 1 336.395 3.523 20 0 EHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1nc(-c2ccccc2)c[nH]1 ZINC001192552846 1135028310 /nfs/dbraw/zinc/02/83/10/1135028310.db2.gz UKVBHBBGDIEIJE-JTQLQIEISA-N -1 1 343.333 3.552 20 0 EHADMM CCc1cc2c(CN3CCc4cc(F)ccc43)cc(=O)oc2cc1[O-] ZINC001193840850 1135185439 /nfs/dbraw/zinc/18/54/39/1135185439.db2.gz ZYUUVMHQDDUUQQ-UHFFFAOYSA-N -1 1 339.366 3.763 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c2ccccc12 ZINC001193824627 1135189157 /nfs/dbraw/zinc/18/91/57/1135189157.db2.gz NABRUXZLNIENTQ-UHFFFAOYSA-N -1 1 339.416 3.979 20 0 EHADMM Cc1cnc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c(Cl)n1 ZINC001193834340 1135191200 /nfs/dbraw/zinc/19/12/00/1135191200.db2.gz YOBDQPIELVPCBF-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])Oc1ccc(Cl)cc1 ZINC001194030573 1135217181 /nfs/dbraw/zinc/21/71/81/1135217181.db2.gz GZYCPTMWZZQKLL-UHFFFAOYSA-N -1 1 343.564 3.814 20 0 EHADMM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc2cccccc-2c1 ZINC001194058544 1135223016 /nfs/dbraw/zinc/22/30/16/1135223016.db2.gz IGVNRUQRZPVGFR-UHFFFAOYSA-N -1 1 338.388 3.875 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)ccn1 ZINC001194142854 1135239850 /nfs/dbraw/zinc/23/98/50/1135239850.db2.gz ZKJVWLRJLHWTQM-UHFFFAOYSA-N -1 1 346.433 3.620 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1nc(Cl)ccc1Cl ZINC001194609846 1135286129 /nfs/dbraw/zinc/28/61/29/1135286129.db2.gz MTSLSGLVOBVQGY-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2c(C)cc(=O)oc2c1 ZINC001194634764 1135294522 /nfs/dbraw/zinc/29/45/22/1135294522.db2.gz ZYWYAZYIQKYXRV-UHFFFAOYSA-N -1 1 343.404 3.519 20 0 EHADMM O=C(Nc1cnc2cc(Cl)ccc2c1)c1c[n-]c(C(F)(F)F)n1 ZINC001194770761 1135320467 /nfs/dbraw/zinc/32/04/67/1135320467.db2.gz PCUAFUDKQLJDKV-UHFFFAOYSA-N -1 1 340.692 3.882 20 0 EHADMM O=C(c1cc([O-])cnc1Cl)N(Cc1ccccn1)C1CCCCC1 ZINC001195305776 1135410179 /nfs/dbraw/zinc/41/01/79/1135410179.db2.gz PGFZDKHDULDAMJ-UHFFFAOYSA-N -1 1 345.830 3.811 20 0 EHADMM CCOc1cccc(F)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195316898 1135413459 /nfs/dbraw/zinc/41/34/59/1135413459.db2.gz XEUARYOJGMEELI-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1c(F)cncc1Cl ZINC001195478617 1135431054 /nfs/dbraw/zinc/43/10/54/1135431054.db2.gz GRKLVYWJKIJMDX-UHFFFAOYSA-N -1 1 334.656 3.851 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc2sc(C(F)(F)F)nc2c1 ZINC001195492917 1135433018 /nfs/dbraw/zinc/43/30/18/1135433018.db2.gz QUQAPINOSAZPSH-UHFFFAOYSA-N -1 1 349.359 3.758 20 0 EHADMM Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195794631 1135470406 /nfs/dbraw/zinc/47/04/06/1135470406.db2.gz CGLDMMMDBKVYQR-UHFFFAOYSA-N -1 1 331.315 3.520 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2Cl)c1 ZINC001196763850 1135603860 /nfs/dbraw/zinc/60/38/60/1135603860.db2.gz FUVRQHOFOWCYRR-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM CCOc1nc(C(=O)[N-]c2c(C)c3ccccc3nc2SC)co1 ZINC001131158721 1135625435 /nfs/dbraw/zinc/62/54/35/1135625435.db2.gz PVHZCUHYDDLVEI-UHFFFAOYSA-N -1 1 343.408 3.904 20 0 EHADMM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc3nccnc3c2)c1 ZINC001198148471 1135779360 /nfs/dbraw/zinc/77/93/60/1135779360.db2.gz ORQBVBUXZJAXKN-UHFFFAOYSA-N -1 1 341.436 3.728 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cc(OC(F)F)ccn1 ZINC001199312722 1135895465 /nfs/dbraw/zinc/89/54/65/1135895465.db2.gz HESQGQNPIDSYMT-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM COc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000747595157 1135926099 /nfs/dbraw/zinc/92/60/99/1135926099.db2.gz IZMLPQOPJVVDEE-CMDGGOBGSA-N -1 1 341.791 3.900 20 0 EHADMM [O-]c1ccc(NC(=S)Nc2ccc(-n3cccn3)cc2)c(F)c1F ZINC001200885024 1135963813 /nfs/dbraw/zinc/96/38/13/1135963813.db2.gz JVLMLTDELRMSBQ-UHFFFAOYSA-N -1 1 346.362 3.665 20 0 EHADMM CCc1cc2c(COC(=O)[C@H]3CC34CCCC4)cc(=O)oc2cc1[O-] ZINC000747729674 1136118127 /nfs/dbraw/zinc/11/81/27/1136118127.db2.gz DYBJBQOUNMXIKE-OAHLLOKOSA-N -1 1 342.391 3.685 20 0 EHADMM COc1cc(F)c(F)cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000811712367 1136123948 /nfs/dbraw/zinc/12/39/48/1136123948.db2.gz RKBNMDWPRWPMCU-SREVYHEPSA-N -1 1 343.326 3.525 20 0 EHADMM O=C(Nc1ccc(Cl)cc1)Nc1cc2ccc([O-])cc2oc1=O ZINC001202367138 1136134244 /nfs/dbraw/zinc/13/42/44/1136134244.db2.gz VADIWDCTLFGIPU-UHFFFAOYSA-N -1 1 330.727 3.796 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2CCCCC2)cc1 ZINC000007070989 1136190840 /nfs/dbraw/zinc/19/08/40/1136190840.db2.gz GRIPOAXYAWQXAK-UHFFFAOYSA-N -1 1 344.484 3.755 20 0 EHADMM CC(C)OCCON=c1ccc(Br)c(C(F)(F)F)[n-]1 ZINC000812488952 1136216668 /nfs/dbraw/zinc/21/66/68/1136216668.db2.gz PLKRKVZKDNWMMI-UHFFFAOYSA-N -1 1 343.143 3.631 20 0 EHADMM CON(Cc1ccc(Cl)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000812796601 1136252256 /nfs/dbraw/zinc/25/22/56/1136252256.db2.gz AOKHXRSYNZWDGH-UHFFFAOYSA-N -1 1 326.179 3.903 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2CCCC23CC3)c1 ZINC000850472525 1136265681 /nfs/dbraw/zinc/26/56/81/1136265681.db2.gz JECFHDVUICKBRZ-AWEZNQCLSA-N -1 1 326.362 3.918 20 0 EHADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccc2ccccc2n1 ZINC000747856452 1136340216 /nfs/dbraw/zinc/34/02/16/1136340216.db2.gz UWJPTEJHVJNVRA-QXMHVHEDSA-N -1 1 328.368 3.787 20 0 EHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1nccn1-c1ccccc1 ZINC000805523609 1136409553 /nfs/dbraw/zinc/40/95/53/1136409553.db2.gz OGONBQDYFDTSKW-LBPRGKRZSA-N -1 1 326.327 3.635 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCC(F)CC1 ZINC000851824972 1136411185 /nfs/dbraw/zinc/41/11/85/1136411185.db2.gz AVFIXFLLWIIWBY-LKSINWNRSA-N -1 1 325.405 3.628 20 0 EHADMM COCCOc1ccc(NCc2cccc([O-])c2Cl)cc1F ZINC000815119708 1136551997 /nfs/dbraw/zinc/55/19/97/1136551997.db2.gz FLUAAQBLDMXAOA-UHFFFAOYSA-N -1 1 325.767 3.822 20 0 EHADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)nn1[C@H](C)C1CC1 ZINC000885675786 1136603360 /nfs/dbraw/zinc/60/33/60/1136603360.db2.gz AVGMOSZLUQJWJX-SECBINFHSA-N -1 1 337.782 3.913 20 0 EHADMM Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677114 1136606627 /nfs/dbraw/zinc/60/66/27/1136606627.db2.gz ZXEGXUAHVHMRKS-UHFFFAOYSA-N -1 1 325.771 3.697 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])c1cnn(-c2ccc(Cl)cc2)n1 ZINC001138015093 1136613775 /nfs/dbraw/zinc/61/37/75/1136613775.db2.gz QBQVFRFABDHYSD-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2ccccc2o1 ZINC000009534702 1136625529 /nfs/dbraw/zinc/62/55/29/1136625529.db2.gz IGJPUFSXMGLYLX-UHFFFAOYSA-N -1 1 336.299 3.602 20 0 EHADMM C[C@H](Cc1ccc(Br)cc1)C(=O)[N-]Oc1ccccc1 ZINC000816685343 1136748423 /nfs/dbraw/zinc/74/84/23/1136748423.db2.gz LTQKHJJBDQUCCA-GFCCVEGCSA-N -1 1 334.213 3.738 20 0 EHADMM Cc1cc2oc(=O)cc(CSc3nc(C)c(C)c(=O)[n-]3)c2cc1C ZINC000776869167 1136749629 /nfs/dbraw/zinc/74/96/29/1136749629.db2.gz ZPBZIWBRXBAPCV-UHFFFAOYSA-N -1 1 342.420 3.815 20 0 EHADMM Cc1cccc2sc([N-]C(=O)c3nnc(-c4ccco4)o3)nc21 ZINC001135684010 1136751653 /nfs/dbraw/zinc/75/16/53/1136751653.db2.gz QJSSVIKJNHODEA-UHFFFAOYSA-N -1 1 326.337 3.500 20 0 EHADMM CC(C)C1(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000818355600 1136875905 /nfs/dbraw/zinc/87/59/05/1136875905.db2.gz PCPKMGYPDTWVHA-UHFFFAOYSA-N -1 1 334.416 3.658 20 0 EHADMM CCCCN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@H]1CCC[C@@H](C)C1 ZINC000818803960 1136889723 /nfs/dbraw/zinc/88/97/23/1136889723.db2.gz YKJJMPDQUBMFGM-HIFRSBDPSA-N -1 1 346.500 3.839 20 0 EHADMM O=c1nc(N2CCC([C@@H](F)c3ccccc3F)CC2)cc(Cl)[n-]1 ZINC000858543622 1136977253 /nfs/dbraw/zinc/97/72/53/1136977253.db2.gz UUBCEOGFDUQJLT-OAHLLOKOSA-N -1 1 339.773 3.902 20 0 EHADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)c2c(C)cccc2C)c1 ZINC000820440712 1136992338 /nfs/dbraw/zinc/99/23/38/1136992338.db2.gz NIDIBHGVBZUOKZ-MYYSRTQBSA-N -1 1 346.448 3.724 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)nc1 ZINC000116603643 1137008109 /nfs/dbraw/zinc/00/81/09/1137008109.db2.gz IMRADUKTIXRYJZ-CMDGGOBGSA-N -1 1 340.857 3.870 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2onc(Cl)c2c1 ZINC000821115843 1137017525 /nfs/dbraw/zinc/01/75/25/1137017525.db2.gz DFGWGOQODKJHRZ-UHFFFAOYSA-N -1 1 343.191 3.935 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)c(C)c1 ZINC000821139945 1137018221 /nfs/dbraw/zinc/01/82/21/1137018221.db2.gz JWXRLNFMOFOJTR-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM CC(C)[C@H]1C[C@H](C(=O)Nc2cccc([O-])c2Br)CCO1 ZINC000821374822 1137023446 /nfs/dbraw/zinc/02/34/46/1137023446.db2.gz IVNORYXLTVGXGR-ZWNOBZJWSA-N -1 1 342.233 3.544 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C)c1 ZINC000117228738 1137045311 /nfs/dbraw/zinc/04/53/11/1137045311.db2.gz DZWSFMYWYXFIPG-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3cc([O-])c(F)cc3F)cc2C1 ZINC000822542449 1137064362 /nfs/dbraw/zinc/06/43/62/1137064362.db2.gz APWBRYYIBIJDSV-SECBINFHSA-N -1 1 348.349 3.538 20 0 EHADMM COC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1C ZINC001136637943 1137077639 /nfs/dbraw/zinc/07/76/39/1137077639.db2.gz IZRBQROSEPZZLT-UHFFFAOYSA-N -1 1 327.380 3.863 20 0 EHADMM C/C=C/COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000862354155 1137139815 /nfs/dbraw/zinc/13/98/15/1137139815.db2.gz MMBZFRPGYYQYBI-ONEGZZNKSA-N -1 1 345.420 3.529 20 0 EHADMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1nc(C2(C)CC2)ns1 ZINC000862609678 1137152109 /nfs/dbraw/zinc/15/21/09/1137152109.db2.gz WSTHKXFQYAKSKG-UHFFFAOYSA-N -1 1 346.437 3.867 20 0 EHADMM CSC1(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CCC1 ZINC000825011607 1137160300 /nfs/dbraw/zinc/16/03/00/1137160300.db2.gz PWJCRSSTOYEFAY-UHFFFAOYSA-N -1 1 346.418 3.871 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000825476029 1137179147 /nfs/dbraw/zinc/17/91/47/1137179147.db2.gz YZOJUALCLCOUQQ-NWDGAFQWSA-N -1 1 347.764 3.849 20 0 EHADMM CSc1nc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2s1 ZINC000825495385 1137179437 /nfs/dbraw/zinc/17/94/37/1137179437.db2.gz NPCRZLDXPYCFBF-UHFFFAOYSA-N -1 1 332.406 3.682 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)c2c(F)cccc2Cl)c1 ZINC001149193453 1137200138 /nfs/dbraw/zinc/20/01/38/1137200138.db2.gz YHENASBIORRBFN-SNVBAGLBSA-N -1 1 335.762 3.797 20 0 EHADMM CCc1nc(CNCc2cccc(OC(C)(C)C)c2)ccc1C(=O)[O-] ZINC000864505310 1137230623 /nfs/dbraw/zinc/23/06/23/1137230623.db2.gz HJGMBLYTRBSOGI-UHFFFAOYSA-N -1 1 342.439 3.809 20 0 EHADMM [O-]c1cc(F)c(CN2CCOC[C@@H]2c2ccccc2Cl)cc1F ZINC001144663275 1137324772 /nfs/dbraw/zinc/32/47/72/1137324772.db2.gz BLLWCLLJESHXEM-MRXNPFEDSA-N -1 1 339.769 3.897 20 0 EHADMM [O-]c1cc(F)c(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1F ZINC001144660008 1137327062 /nfs/dbraw/zinc/32/70/62/1137327062.db2.gz UHHNQNWHDLUQCI-KRWDZBQOSA-N -1 1 341.304 3.522 20 0 EHADMM C[C@@H](O)[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1F ZINC001144792259 1137348966 /nfs/dbraw/zinc/34/89/66/1137348966.db2.gz DSKYUKIPXFCBTJ-BLVKFPJESA-N -1 1 339.366 3.536 20 0 EHADMM CCCCCC[C@@](C)(NC(=O)c1cccc([O-])c1F)C(=O)OCC ZINC001144843311 1137354861 /nfs/dbraw/zinc/35/48/61/1137354861.db2.gz SIEZMXMKCGBFEJ-GOSISDBHSA-N -1 1 339.407 3.553 20 0 EHADMM CSc1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1C ZINC000846623169 1137359417 /nfs/dbraw/zinc/35/94/17/1137359417.db2.gz YMOWMKZJURBJDK-UHFFFAOYSA-N -1 1 331.441 3.897 20 0 EHADMM CC(C)n1cc([C@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cn1 ZINC001145104044 1137385429 /nfs/dbraw/zinc/38/54/29/1137385429.db2.gz WKMRPYKJDBLIQJ-JTQLQIEISA-N -1 1 341.333 3.679 20 0 EHADMM CCC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC000867918873 1137389828 /nfs/dbraw/zinc/38/98/28/1137389828.db2.gz RZYRIKNSEVVIOJ-VQIMIIECSA-N -1 1 347.842 3.607 20 0 EHADMM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cc2ccccc2cc1[O-] ZINC001147035904 1137398441 /nfs/dbraw/zinc/39/84/41/1137398441.db2.gz XLRSWJDFOAIWCP-SFHVURJKSA-N -1 1 346.430 3.944 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N(C)[C@H]3CCc4ccccc43)cc2)[n-]1 ZINC001148332983 1137422761 /nfs/dbraw/zinc/42/27/61/1137422761.db2.gz IZOSLUOHQFBZOL-IBGZPJMESA-N -1 1 347.418 3.559 20 0 EHADMM CC(C)OC1CCC(NC(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC001148483496 1137425928 /nfs/dbraw/zinc/42/59/28/1137425928.db2.gz JJGLBBGGLWGPEM-UHFFFAOYSA-N -1 1 346.402 3.546 20 0 EHADMM O=C(Nc1cc(C(F)(F)F)no1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790887 1137433704 /nfs/dbraw/zinc/43/37/04/1137433704.db2.gz XAUDNDAESAXACL-UHFFFAOYSA-N -1 1 340.179 3.670 20 0 EHADMM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001148794707 1137435032 /nfs/dbraw/zinc/43/50/32/1137435032.db2.gz LCMVADHIMVTPEJ-VIFPVBQESA-N -1 1 337.288 3.918 20 0 EHADMM COc1cc(Cl)ncc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794330 1137435092 /nfs/dbraw/zinc/43/50/92/1137435092.db2.gz IRZPMFSSYZUDDH-UHFFFAOYSA-N -1 1 346.692 3.720 20 0 EHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001148867054 1137436640 /nfs/dbraw/zinc/43/66/40/1137436640.db2.gz LWYLOEKCKCMDSR-CJNGLKHVSA-N -1 1 329.346 3.786 20 0 EHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC001148867087 1137436894 /nfs/dbraw/zinc/43/68/94/1137436894.db2.gz VDGIDIPWTCMGLT-IYBDPMFKSA-N -1 1 335.403 3.785 20 0 EHADMM O=C(NCc1cccc2n[nH]cc21)c1cccc(-c2ccccc2)c1[O-] ZINC001148871682 1137437046 /nfs/dbraw/zinc/43/70/46/1137437046.db2.gz CBKSZGBTJAJSRN-UHFFFAOYSA-N -1 1 343.386 3.866 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC001171632951 1137500057 /nfs/dbraw/zinc/50/00/57/1137500057.db2.gz YMUIZWIWURGSOI-KRWDZBQOSA-N -1 1 346.377 3.664 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCCCCC3CC3)c2)o1 ZINC001171675750 1137503645 /nfs/dbraw/zinc/50/36/45/1137503645.db2.gz PGSIABVXNGRYGO-UHFFFAOYSA-N -1 1 327.380 3.775 20 0 EHADMM Cc1ccc(-c2noc(-c3[n-]nnc3C(F)(F)F)n2)c(Cl)c1 ZINC001212652747 1137548819 /nfs/dbraw/zinc/54/88/19/1137548819.db2.gz FOGFNBUBXGYGTL-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1ccc(-c2noc(-c3nn[n-]c3C(F)(F)F)n2)c(Cl)c1 ZINC001212652747 1137548820 /nfs/dbraw/zinc/54/88/20/1137548820.db2.gz FOGFNBUBXGYGTL-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1ccc(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)c(Cl)c1 ZINC001212652747 1137548821 /nfs/dbraw/zinc/54/88/21/1137548821.db2.gz FOGFNBUBXGYGTL-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM O=C([O-])C[C@H](NCc1cnc(C2CC2)s1)c1ccccc1Cl ZINC000871883404 1137562380 /nfs/dbraw/zinc/56/23/80/1137562380.db2.gz MGSOUICKAULYRA-AWEZNQCLSA-N -1 1 336.844 3.980 20 0 EHADMM COc1ccccc1[C@@H]1CCCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000872165971 1137574878 /nfs/dbraw/zinc/57/48/78/1137574878.db2.gz PTOUFBNHSRGTBV-CYBMUJFWSA-N -1 1 346.452 3.620 20 0 EHADMM CC1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC(F)(F)C1 ZINC000872666849 1137582643 /nfs/dbraw/zinc/58/26/43/1137582643.db2.gz FFWPDOKXJLFQIW-UHFFFAOYSA-N -1 1 348.173 3.599 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2sccc2C(F)F)c1 ZINC000873424389 1137599586 /nfs/dbraw/zinc/59/95/86/1137599586.db2.gz UKHLOGMIOUSXPO-UHFFFAOYSA-N -1 1 340.347 3.993 20 0 EHADMM COc1cccc2c1CC[C@H]2NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000875379993 1137632694 /nfs/dbraw/zinc/63/26/94/1137632694.db2.gz XSKICLXCBIRFKH-OAHLLOKOSA-N -1 1 346.814 3.541 20 0 EHADMM COc1cccc(C2(NC(=O)NCc3ccc([O-])c(Cl)c3)CC2)c1 ZINC000876395826 1137650725 /nfs/dbraw/zinc/65/07/25/1137650725.db2.gz PGSCDTXZUAAAJE-UHFFFAOYSA-N -1 1 346.814 3.543 20 0 EHADMM Cc1cccc(C)c1OC[C@@H](NC(=O)c1ccc([O-])cn1)C(C)(C)C ZINC001137546447 1137683705 /nfs/dbraw/zinc/68/37/05/1137683705.db2.gz SYVYSRATTIVCSP-QGZVFWFLSA-N -1 1 342.439 3.628 20 0 EHADMM Cc1c2ccccc2oc(=O)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129583191 1137825466 /nfs/dbraw/zinc/82/54/66/1137825466.db2.gz LMEOHNCEEPFZTN-UHFFFAOYSA-N -1 1 329.739 3.713 20 0 EHADMM O=C(Nc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1)NC1CC1 ZINC000129644511 1137826764 /nfs/dbraw/zinc/82/67/64/1137826764.db2.gz NSIYSAAUZPZASQ-UHFFFAOYSA-N -1 1 345.786 3.582 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2Cc2nc(CC(C)C)no2)c1 ZINC000109563164 1137893465 /nfs/dbraw/zinc/89/34/65/1137893465.db2.gz LESFCETXBVNYKH-UHFFFAOYSA-N -1 1 329.429 3.546 20 0 EHADMM Cc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1C ZINC000029507952 1137894168 /nfs/dbraw/zinc/89/41/68/1137894168.db2.gz CTAQYKXYNSTERS-UHFFFAOYSA-N -1 1 344.465 3.925 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CCCC(F)(F)C3)[nH][n-]2)s1 ZINC000331948299 1137926674 /nfs/dbraw/zinc/92/66/74/1137926674.db2.gz OGEYCRDIGPCVGL-SNVBAGLBSA-N -1 1 325.384 3.633 20 0 EHADMM CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000333022664 1137952965 /nfs/dbraw/zinc/95/29/65/1137952965.db2.gz FNJIAWBIJHUGSP-INIZCTEOSA-N -1 1 349.434 3.610 20 0 EHADMM O=C(COc1ccc(F)cc1Cl)NCc1ccc([O-])c(Cl)c1 ZINC001154101417 1137960298 /nfs/dbraw/zinc/96/02/98/1137960298.db2.gz LBHDGTBCIUGAST-UHFFFAOYSA-N -1 1 344.169 3.533 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc(NCC2CC2)nc1 ZINC000885677805 1138017985 /nfs/dbraw/zinc/01/79/85/1138017985.db2.gz AIHUNNOUAPJXFT-UHFFFAOYSA-N -1 1 335.766 3.654 20 0 EHADMM CCSCc1cccnc1[N-]S(=O)(=O)Cc1ccccc1C ZINC000886444915 1138078621 /nfs/dbraw/zinc/07/86/21/1138078621.db2.gz PHCVTYZEWGTDBG-UHFFFAOYSA-N -1 1 336.482 3.585 20 0 EHADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000068452985 1138084870 /nfs/dbraw/zinc/08/48/70/1138084870.db2.gz HDGKJIGCMZBVNR-UHFFFAOYSA-N -1 1 344.484 3.597 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CC=CCC2)c1 ZINC000077039164 1138136652 /nfs/dbraw/zinc/13/66/52/1138136652.db2.gz ALPCOVKXDLKHFG-HNNXBMFYSA-N -1 1 342.468 3.531 20 0 EHADMM Cc1cccc(NC2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000080030145 1138160243 /nfs/dbraw/zinc/16/02/43/1138160243.db2.gz XXQYILAHBOPCEU-UHFFFAOYSA-N -1 1 328.387 3.556 20 0 EHADMM Cc1cc(Cl)ccc1NC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000085546066 1138184669 /nfs/dbraw/zinc/18/46/69/1138184669.db2.gz LEVKKANCNKTCSU-UHFFFAOYSA-N -1 1 337.836 3.559 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)cc1 ZINC000337295948 1138523248 /nfs/dbraw/zinc/52/32/48/1138523248.db2.gz QQSXZVGPJRGHHJ-UHFFFAOYSA-N -1 1 346.452 3.535 20 0 EHADMM CCOc1cc(C(=O)N2CCCC[C@@H]2C(F)F)cc(Cl)c1[O-] ZINC000337610309 1138620316 /nfs/dbraw/zinc/62/03/16/1138620316.db2.gz XUWBSDJXTAUOSY-LLVKDONJSA-N -1 1 333.762 3.704 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000887788890 1138899100 /nfs/dbraw/zinc/89/91/00/1138899100.db2.gz YHBSWPJUFIBOTG-FQEVSTJZSA-N -1 1 339.366 3.612 20 0 EHADMM Cc1ccc(-c2ocnc2C(=O)[N-]c2nnc(CC(C)C)s2)cc1 ZINC000151984614 1139067532 /nfs/dbraw/zinc/06/75/32/1139067532.db2.gz OOFVSHVJNABUSS-UHFFFAOYSA-N -1 1 342.424 3.952 20 0 EHADMM CC(C)(C)c1coc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)n1 ZINC000889550429 1139231059 /nfs/dbraw/zinc/23/10/59/1139231059.db2.gz PURVPXSSGLNTDJ-UHFFFAOYSA-N -1 1 344.308 3.659 20 0 EHADMM COc1cc(C(=O)NCCC2CCC(F)(F)CC2)cc(Cl)c1[O-] ZINC000890063362 1139309163 /nfs/dbraw/zinc/30/91/63/1139309163.db2.gz PCDNIUKDZUHPPD-UHFFFAOYSA-N -1 1 347.789 4.000 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)CCCOC(C)C)c1 ZINC000183942294 1140068375 /nfs/dbraw/zinc/06/83/75/1140068375.db2.gz LIFFSJJEBBQDNU-UHFFFAOYSA-N -1 1 330.222 3.607 20 0 EHADMM CCOc1cc(C(=O)N(C)CCc2ccccc2)cc(Cl)c1[O-] ZINC000186567273 1140210484 /nfs/dbraw/zinc/21/04/84/1140210484.db2.gz WQCRCJSNQWESAA-UHFFFAOYSA-N -1 1 333.815 3.759 20 0 EHADMM CCC[C@@H]1CCc2nc(NC([O-])=NO[C@@H]3CCCCO3)sc2C1 ZINC000194547482 1140614094 /nfs/dbraw/zinc/61/40/94/1140614094.db2.gz YHPAMJDOQYUSQH-BXUZGUMPSA-N -1 1 339.461 3.628 20 0 EHADMM CCC[C@@H]1CCc2nc(NC(=O)[N-]O[C@@H]3CCCCO3)sc2C1 ZINC000194547482 1140614097 /nfs/dbraw/zinc/61/40/97/1140614097.db2.gz YHPAMJDOQYUSQH-BXUZGUMPSA-N -1 1 339.461 3.628 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(CC(C)C)c2ccccc2)c1 ZINC000270082604 1141176899 /nfs/dbraw/zinc/17/68/99/1141176899.db2.gz XKTXSYATWYPBMB-UHFFFAOYSA-N -1 1 326.396 3.653 20 0 EHADMM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccc(F)c(F)c1 ZINC000339122511 1141503304 /nfs/dbraw/zinc/50/33/04/1141503304.db2.gz AIECSYZAKQOUSP-UHFFFAOYSA-N -1 1 334.347 3.556 20 0 EHADMM O=[S@@](C=C([O-])c1ccc[nH]1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000339152322 1141511709 /nfs/dbraw/zinc/51/17/09/1141511709.db2.gz GZUUOKUWGDKGHA-DVECYGJZSA-N -1 1 341.407 3.875 20 0 EHADMM COc1ccc2[nH]c(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cc2c1 ZINC000348720326 1141570858 /nfs/dbraw/zinc/57/08/58/1141570858.db2.gz AJEKJKCAWGEXJT-UHFFFAOYSA-N -1 1 348.362 3.525 20 0 EHADMM O=C([O-])c1ccc(CNCc2cc(Br)ccc2F)cc1 ZINC000050920647 597135098 /nfs/dbraw/zinc/13/50/98/597135098.db2.gz OUCVPKXDSLXCJK-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM Cc1cnc(-c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)o1 ZINC000822389428 607317343 /nfs/dbraw/zinc/31/73/43/607317343.db2.gz VYSVWFFIKAVSMY-UHFFFAOYSA-N -1 1 338.396 3.504 20 0 EHADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1OC(C)C ZINC000822209675 607318556 /nfs/dbraw/zinc/31/85/56/607318556.db2.gz RNHJVLGJOILZKR-UHFFFAOYSA-N -1 1 329.429 3.636 20 0 EHADMM Cc1cc(C)cc([C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737254800 598426441 /nfs/dbraw/zinc/42/64/41/598426441.db2.gz ZWLHKYCQONUSDL-VIFPVBQESA-N -1 1 334.836 3.767 20 0 EHADMM Cc1cc(C)cc([C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737254800 598426442 /nfs/dbraw/zinc/42/64/42/598426442.db2.gz ZWLHKYCQONUSDL-VIFPVBQESA-N -1 1 334.836 3.767 20 0 EHADMM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1cccc(-c2nnn[n-]2)n1 ZINC000736055753 599424238 /nfs/dbraw/zinc/42/42/38/599424238.db2.gz IVDNEZKMXPHZEP-VIFPVBQESA-N -1 1 349.225 3.612 20 0 EHADMM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1cccc(-c2nn[n-]n2)n1 ZINC000736055753 599424241 /nfs/dbraw/zinc/42/42/41/599424241.db2.gz IVDNEZKMXPHZEP-VIFPVBQESA-N -1 1 349.225 3.612 20 0 EHADMM C[C@H](CN(Cc1cc(-c2ccco2)on1)Cc1ccccc1)C(=O)[O-] ZINC000652456678 599714067 /nfs/dbraw/zinc/71/40/67/599714067.db2.gz ABLSJIGABVFBRF-CQSZACIVSA-N -1 1 340.379 3.658 20 0 EHADMM O=C([O-])N1CCC[C@H](NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000739926155 599860693 /nfs/dbraw/zinc/86/06/93/599860693.db2.gz GEBWLMBLCZTBPE-QMMMGPOBSA-N -1 1 337.634 3.879 20 0 EHADMM C[C@H](CN(Cc1csc(-c2ccccc2F)n1)C1CC1)C(=O)[O-] ZINC000736583491 599885254 /nfs/dbraw/zinc/88/52/54/599885254.db2.gz SIVVEFRODITYSS-LLVKDONJSA-N -1 1 334.416 3.634 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000740078448 600102821 /nfs/dbraw/zinc/10/28/21/600102821.db2.gz IWJHZJRZPLSNNP-INIZCTEOSA-N -1 1 343.354 3.590 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(CCOc1c(Cl)cccc1Cl)CC2 ZINC000405351954 600293635 /nfs/dbraw/zinc/29/36/35/600293635.db2.gz FAVCPKILUYSXGC-LLVKDONJSA-N -1 1 344.238 3.559 20 0 EHADMM COc1ccc(C)cc1CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737975400 600328447 /nfs/dbraw/zinc/32/84/47/600328447.db2.gz HFQVSGLDQAHAHX-UHFFFAOYSA-N -1 1 349.377 3.759 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000583505707 600440427 /nfs/dbraw/zinc/44/04/27/600440427.db2.gz QEPVVOQWZHFSCC-AWEZNQCLSA-N -1 1 345.370 3.520 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000738964924 600490992 /nfs/dbraw/zinc/49/09/92/600490992.db2.gz YXKNRKNEYSOQKB-GUYCJALGSA-N -1 1 331.437 3.965 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000740132129 600525333 /nfs/dbraw/zinc/52/53/33/600525333.db2.gz DLWBFLDAJIUNNT-UHFFFAOYSA-N -1 1 331.702 3.522 20 0 EHADMM O=C([O-])[C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccccc1F ZINC000833167700 600734964 /nfs/dbraw/zinc/73/49/64/600734964.db2.gz OURBBFICJWXUEL-GJZGRUSLSA-N -1 1 335.375 3.917 20 0 EHADMM CO[C@@H](C)CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C(C)C ZINC000831492699 600832460 /nfs/dbraw/zinc/83/24/60/600832460.db2.gz DCXDLDFFPIDNJM-ZDUSSCGKSA-N -1 1 348.468 3.754 20 0 EHADMM O=C([O-])[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccccc1F ZINC000833170236 600833269 /nfs/dbraw/zinc/83/32/69/600833269.db2.gz OVMLKZYXPDAVIH-CYBMUJFWSA-N -1 1 347.346 3.668 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1Cl ZINC000324549592 600888774 /nfs/dbraw/zinc/88/87/74/600888774.db2.gz VLXGYBBJJQKURF-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM CC[C@@H](Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)C(=O)[O-] ZINC000736930316 600987046 /nfs/dbraw/zinc/98/70/46/600987046.db2.gz ZKNVFVYSDIYUCC-SECBINFHSA-N -1 1 332.212 3.734 20 0 EHADMM O=C([O-])c1occc1CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000740279810 600992800 /nfs/dbraw/zinc/99/28/00/600992800.db2.gz PGDFXHZUMQAXON-UHFFFAOYSA-N -1 1 341.392 3.544 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ncc(-c2cccc(F)c2)o1 ZINC000248563377 601353149 /nfs/dbraw/zinc/35/31/49/601353149.db2.gz OOXIPTWFGNTWON-MAZHCROVSA-N -1 1 344.386 3.698 20 0 EHADMM CN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)cc1 ZINC000825986301 607505618 /nfs/dbraw/zinc/50/56/18/607505618.db2.gz YBMFTGGQKXVRFF-UHFFFAOYSA-N -1 1 342.406 3.565 20 0 EHADMM CN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000825986301 607505620 /nfs/dbraw/zinc/50/56/20/607505620.db2.gz YBMFTGGQKXVRFF-UHFFFAOYSA-N -1 1 342.406 3.565 20 0 EHADMM Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000574292327 601634932 /nfs/dbraw/zinc/63/49/32/601634932.db2.gz LKQIRKQXWUSICT-HNNXBMFYSA-N -1 1 334.416 3.798 20 0 EHADMM CCCN(Cc1ccsc1C(=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000829497240 601811673 /nfs/dbraw/zinc/81/16/73/601811673.db2.gz ZXYPIZDUFORQLW-ZDUSSCGKSA-N -1 1 346.452 3.686 20 0 EHADMM C[C@@H](CN(Cc1csc(CCc2ccccc2)n1)C1CC1)C(=O)[O-] ZINC000572773652 601838363 /nfs/dbraw/zinc/83/83/63/601838363.db2.gz ATORBLITUXSRLG-AWEZNQCLSA-N -1 1 344.480 3.613 20 0 EHADMM c1ccc(Oc2ccccc2NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826522879 607546455 /nfs/dbraw/zinc/54/64/55/607546455.db2.gz RWTFDVIOQSVRLA-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM c1ccc(Oc2ccccc2NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826522879 607546458 /nfs/dbraw/zinc/54/64/58/607546458.db2.gz RWTFDVIOQSVRLA-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM Cc1csc(CNC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000740209741 602995162 /nfs/dbraw/zinc/99/51/62/602995162.db2.gz KVVWRUSVPJZXDX-OAHLLOKOSA-N -1 1 333.457 3.673 20 0 EHADMM CCOCc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000827409067 603849511 /nfs/dbraw/zinc/84/95/11/603849511.db2.gz MFGWJVZWQCXESP-UHFFFAOYSA-N -1 1 340.423 3.553 20 0 EHADMM CCOc1cc(C)ccc1CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000827414222 603866874 /nfs/dbraw/zinc/86/68/74/603866874.db2.gz XAZHKWZPMFOFHC-UHFFFAOYSA-N -1 1 340.423 3.724 20 0 EHADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000825272600 604188238 /nfs/dbraw/zinc/18/82/38/604188238.db2.gz MMTFPXFXWJITOF-ZFWWWQNUSA-N -1 1 345.468 3.678 20 0 EHADMM Cc1ccc(-c2cnc(CN3CCC[C@H]([C@H](C)NC(=O)[O-])C3)o2)cc1 ZINC000830148868 604250902 /nfs/dbraw/zinc/25/09/02/604250902.db2.gz LBAJTEDQHLGDOM-HOCLYGCPSA-N -1 1 343.427 3.518 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000833771997 604654615 /nfs/dbraw/zinc/65/46/15/604654615.db2.gz WUHZVWZZZJBJPD-LLVKDONJSA-N -1 1 345.773 3.628 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000826102546 604707249 /nfs/dbraw/zinc/70/72/49/604707249.db2.gz BFVCNNANBSSPOZ-HNNXBMFYSA-N -1 1 347.798 3.628 20 0 EHADMM O=C([O-])CCCN(Cc1ccn(C2CCCC2)n1)Cc1ccccc1 ZINC000576166947 604782283 /nfs/dbraw/zinc/78/22/83/604782283.db2.gz IQNONYILHNJZQG-UHFFFAOYSA-N -1 1 341.455 3.865 20 0 EHADMM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H]2c2nc3ccccc3s2)O1 ZINC000833585448 604824389 /nfs/dbraw/zinc/82/43/89/604824389.db2.gz SMFHHVODYLBQGV-DOMZBBRYSA-N -1 1 344.436 3.581 20 0 EHADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cc(Cl)ccc1Cl ZINC000827717666 604997194 /nfs/dbraw/zinc/99/71/94/604997194.db2.gz KAXQBSCTVWYIMB-YMTOWFKASA-N -1 1 325.195 3.865 20 0 EHADMM CCCOc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1OC ZINC000833651912 605077194 /nfs/dbraw/zinc/07/71/94/605077194.db2.gz GYBFWLPUJODBLV-GFCCVEGCSA-N -1 1 333.384 3.626 20 0 EHADMM C[C@H](Oc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1)C(=O)[O-] ZINC000833543233 605079603 /nfs/dbraw/zinc/07/96/03/605079603.db2.gz YDQDOQXICRPHDQ-DCGLDWPTSA-N -1 1 329.396 3.545 20 0 EHADMM O=C([O-])c1occc1CNCc1ccc(Oc2cccnc2)c(F)c1 ZINC000833785405 605085795 /nfs/dbraw/zinc/08/57/95/605085795.db2.gz UHNFVLXWNPCMAT-UHFFFAOYSA-N -1 1 342.326 3.594 20 0 EHADMM COc1ccc2oc([C@@H](C)NCc3ccoc3C(=O)[O-])c(C)c2c1 ZINC000833735385 605092299 /nfs/dbraw/zinc/09/22/99/605092299.db2.gz YZVXEVWKCKVKDD-LLVKDONJSA-N -1 1 329.352 3.892 20 0 EHADMM CC(C)Oc1cc(CN(Cc2cccc(C(=O)[O-])c2)C2CC2)ccn1 ZINC000833505880 605178883 /nfs/dbraw/zinc/17/88/83/605178883.db2.gz WKVFTIZUWKDSIM-UHFFFAOYSA-N -1 1 340.423 3.732 20 0 EHADMM O=C([O-])N1CCc2cccc(CN3CCC[C@@H](C(F)(F)F)C3)c21 ZINC000834124023 605462802 /nfs/dbraw/zinc/46/28/02/605462802.db2.gz ZJBLRIDMHKHAMW-CYBMUJFWSA-N -1 1 328.334 3.501 20 0 EHADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000833812819 605601432 /nfs/dbraw/zinc/60/14/32/605601432.db2.gz LYDLECVHOFIFJM-DZGCQCFKSA-N -1 1 345.468 3.678 20 0 EHADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCC(C(C)(C)C)CC1 ZINC000821573522 606505385 /nfs/dbraw/zinc/50/53/85/606505385.db2.gz TYQXYYREXYADPY-UHFFFAOYSA-N -1 1 347.488 3.605 20 0 EHADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCC(C(C)(C)C)CC1 ZINC000821573522 606505387 /nfs/dbraw/zinc/50/53/87/606505387.db2.gz TYQXYYREXYADPY-UHFFFAOYSA-N -1 1 347.488 3.605 20 0 EHADMM Cc1ncc(-c2ccccc2)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826329722 608028127 /nfs/dbraw/zinc/02/81/27/608028127.db2.gz OYGOUOYJJZPSPS-UHFFFAOYSA-N -1 1 348.435 3.911 20 0 EHADMM Clc1nsc(N[C@H](c2ccccc2)C2CCC2)c1-c1nnn[n-]1 ZINC000826353954 608182441 /nfs/dbraw/zinc/18/24/41/608182441.db2.gz KRCBPFOGGDNYEL-GFCCVEGCSA-N -1 1 346.847 3.930 20 0 EHADMM Clc1nsc(N[C@H](c2ccccc2)C2CCC2)c1-c1nn[n-]n1 ZINC000826353954 608182443 /nfs/dbraw/zinc/18/24/43/608182443.db2.gz KRCBPFOGGDNYEL-GFCCVEGCSA-N -1 1 346.847 3.930 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(COc2ccccc2)cc1 ZINC000826522436 609487850 /nfs/dbraw/zinc/48/78/50/609487850.db2.gz AFPDHEWSTYYFML-UHFFFAOYSA-N -1 1 347.378 3.651 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(COc2ccccc2)cc1 ZINC000826522436 609487852 /nfs/dbraw/zinc/48/78/52/609487852.db2.gz AFPDHEWSTYYFML-UHFFFAOYSA-N -1 1 347.378 3.651 20 0 EHADMM C[C@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@H]1C(=O)[O-] ZINC000323814691 971041898 /nfs/dbraw/zinc/04/18/98/971041898.db2.gz OVMORIBVPDNFFS-SMDDNHRTSA-N -1 1 334.803 3.538 20 0 EHADMM C(=C/[C@H]1CCCCCN1c1cccc(-c2nnn[n-]2)n1)\c1ccccc1 ZINC001573292625 946935493 /nfs/dbraw/zinc/93/54/93/946935493.db2.gz YSYZNKMDSDKCBN-TUQDCPSNSA-N -1 1 346.438 3.724 20 0 EHADMM C(=C/[C@H]1CCCCCN1c1cccc(-c2nn[n-]n2)n1)\c1ccccc1 ZINC001573292625 946935497 /nfs/dbraw/zinc/93/54/97/946935497.db2.gz YSYZNKMDSDKCBN-TUQDCPSNSA-N -1 1 346.438 3.724 20 0 EHADMM C[C@H](c1ccccc1)c1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001575515311 949185707 /nfs/dbraw/zinc/18/57/07/949185707.db2.gz HPJKQACQHYQISP-CYBMUJFWSA-N -1 1 344.378 3.601 20 0 EHADMM O=C([O-])c1ccccc1CNCc1ccc(Br)cc1F ZINC000312732621 950770010 /nfs/dbraw/zinc/77/00/10/950770010.db2.gz SUMAFHQXDKGNGP-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM O=C([O-])CCC1CCN(Cc2cscc2Br)CC1 ZINC000385452866 951281285 /nfs/dbraw/zinc/28/12/85/951281285.db2.gz DSGOHEVWVJIGCB-UHFFFAOYSA-N -1 1 332.263 3.587 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccsc2Br)C1 ZINC000388729862 951337726 /nfs/dbraw/zinc/33/77/26/951337726.db2.gz CZCCKKGNCSUEKM-SNVBAGLBSA-N -1 1 332.263 3.587 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](NCc2cc(Cl)cc3c2OCC3)c2ccccc21 ZINC000417620772 953413665 /nfs/dbraw/zinc/41/36/65/953413665.db2.gz GMAMTDUXHIQYSK-SJORKVTESA-N -1 1 343.810 3.678 20 0 EHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)cc(Br)c2)C1 ZINC001589281582 953519789 /nfs/dbraw/zinc/51/97/89/953519789.db2.gz VXIYQERAYOSKFR-ONGXEEELSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@H]1CN(Cc2cc(Cl)cc(Br)c2)CC[C@@H]1C(=O)[O-] ZINC001589400294 954416488 /nfs/dbraw/zinc/41/64/88/954416488.db2.gz ZZWNTSAITDKNGD-ZANVPECISA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@H]1CCCN(c2ccc(CNCc3ccc(Cl)cc3)o2)C1 ZINC001594917647 954774365 /nfs/dbraw/zinc/77/43/65/954774365.db2.gz VNDDVJDMTIDNNH-AWEZNQCLSA-N -1 1 348.830 3.524 20 0 EHADMM CN(Cc1cc(Br)cs1)Cc1ccc(C(=O)[O-])cc1 ZINC000044412463 957444675 /nfs/dbraw/zinc/44/46/75/957444675.db2.gz KLFJJHADNMGYDU-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])oc2CC)cc1OC ZINC001329679460 961299041 /nfs/dbraw/zinc/29/90/41/961299041.db2.gz QYIYCZVJBGECTG-UHFFFAOYSA-N -1 1 347.411 3.580 20 0 EHADMM CC(C)Oc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000417714406 973967583 /nfs/dbraw/zinc/96/75/83/973967583.db2.gz ZQZCMEYPNYECNC-UHFFFAOYSA-N -1 1 340.423 3.734 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1F ZINC000426767881 974047561 /nfs/dbraw/zinc/04/75/61/974047561.db2.gz RMIDKAAPUALRCU-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM O=C([O-])c1cnc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)cn1 ZINC000530162444 974358376 /nfs/dbraw/zinc/35/83/76/974358376.db2.gz GVXARLDLJRLAPW-DOJUMQAQSA-N -1 1 337.423 3.633 20 0 EHADMM Cc1oc(CN(C)CCOc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000563284307 974528321 /nfs/dbraw/zinc/52/83/21/974528321.db2.gz UZPVMELHNBENLV-UHFFFAOYSA-N -1 1 341.766 3.590 20 0 EHADMM Cc1ccc(NCc2cccc([O-])c2Cl)cc1N1C(=O)CCC1=O ZINC000339317077 1014209453 /nfs/dbraw/zinc/20/94/53/1014209453.db2.gz RXGOUXKMSRSWRR-UHFFFAOYSA-N -1 1 344.798 3.620 20 0 EHADMM Cc1oc(CN2CCC(Oc3ccccc3Cl)CC2)cc1C(=O)[O-] ZINC000576642852 974819675 /nfs/dbraw/zinc/81/96/75/974819675.db2.gz MUNDBSTUJNFIFL-UHFFFAOYSA-N -1 1 349.814 3.983 20 0 EHADMM COc1ccc(OC)c(CN(Cc2ccccc2C(=O)[O-])C2CC2)c1 ZINC000578756156 974861206 /nfs/dbraw/zinc/86/12/06/974861206.db2.gz GSZGIXTYOBVTOR-UHFFFAOYSA-N -1 1 341.407 3.567 20 0 EHADMM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C[C@H]1CC1(C)C ZINC000663316116 975942721 /nfs/dbraw/zinc/94/27/21/975942721.db2.gz BJHVKMVHGQRLQZ-CQSZACIVSA-N -1 1 330.453 3.986 20 0 EHADMM CCCCc1nc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2[nH]1 ZINC000683301924 976082173 /nfs/dbraw/zinc/08/21/73/976082173.db2.gz BRILSCRNICJBHC-UHFFFAOYSA-N -1 1 331.416 3.735 20 0 EHADMM CC(C)c1[nH]c(CN(C)Cc2cccc(N(C)C)c2)cc1C(=O)[O-] ZINC001591910449 976317950 /nfs/dbraw/zinc/31/79/50/976317950.db2.gz FJKGMZYYFGKVMU-UHFFFAOYSA-N -1 1 329.444 3.534 20 0 EHADMM [O-]c1cccc(CN[C@@H]2CCOc3c(F)ccc(F)c32)c1Cl ZINC000339407269 1014368515 /nfs/dbraw/zinc/36/85/15/1014368515.db2.gz KYCVSQKHSZHYMP-GFCCVEGCSA-N -1 1 325.742 3.937 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1F)c1ccc(C(F)(F)F)cc1 ZINC000756349684 978699159 /nfs/dbraw/zinc/69/91/59/978699159.db2.gz MMVZNMSRQNYART-AWEZNQCLSA-N -1 1 327.277 3.760 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccc(OC)cc1)C1CC1 ZINC000830363744 979016783 /nfs/dbraw/zinc/01/67/83/979016783.db2.gz XIJYNTUDUNHMGN-UHFFFAOYSA-N -1 1 329.396 3.713 20 0 EHADMM O=C([O-])CCCN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001595048027 979263364 /nfs/dbraw/zinc/26/33/64/979263364.db2.gz CNWKIOBKWNLFOR-INIZCTEOSA-N -1 1 331.391 3.608 20 0 EHADMM Clc1oc2ccccc2c1CN=c1[n-]ncn1Cc1ccccc1 ZINC000547637268 1014573885 /nfs/dbraw/zinc/57/38/85/1014573885.db2.gz UKARZLIONPKNCM-UHFFFAOYSA-N -1 1 338.798 3.760 20 0 EHADMM O=C([O-])[C@@H]1CN(Cc2coc(C3CC3)n2)C[C@H]1c1ccc(Cl)cc1 ZINC000872162385 980052324 /nfs/dbraw/zinc/05/23/24/980052324.db2.gz PLGBEXWWHZIQNP-JKSUJKDBSA-N -1 1 346.814 3.506 20 0 EHADMM Cc1ccc(OC2CCN(Cc3ccc(/C=C\C(=O)[O-])o3)CC2)cc1 ZINC000901421506 980267939 /nfs/dbraw/zinc/26/79/39/980267939.db2.gz BWCZDWLJGFFGEK-HJWRWDBZSA-N -1 1 341.407 3.729 20 0 EHADMM O=C([O-])C[C@@H]1COCCN1Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC000902003317 980682244 /nfs/dbraw/zinc/68/22/44/980682244.db2.gz XGDFSYKENZICBY-GOSISDBHSA-N -1 1 345.826 3.683 20 0 EHADMM Cc1cc(CN[C@H](C)c2ccc(OC(F)F)cc2)oc1C(=O)[O-] ZINC000902115946 980741918 /nfs/dbraw/zinc/74/19/18/980741918.db2.gz GPHGNCFSIMSNKA-SNVBAGLBSA-N -1 1 325.311 3.738 20 0 EHADMM CC[C@@H](c1ccccc1)N1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001595364131 980791063 /nfs/dbraw/zinc/79/10/63/980791063.db2.gz OXHCKLSZYFVBGW-IBGZPJMESA-N -1 1 342.439 3.555 20 0 EHADMM Cc1ccc2oc(CNCc3ccc(O[C@H](C)C(=O)[O-])cc3)cc2c1 ZINC000902257687 980802291 /nfs/dbraw/zinc/80/22/91/980802291.db2.gz BIZGPCDWDMANHU-CQSZACIVSA-N -1 1 339.391 3.883 20 0 EHADMM C[C@@H](NCc1ccoc1C(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000902342159 980841127 /nfs/dbraw/zinc/84/11/27/980841127.db2.gz GINRFOQUOKSTHY-SECBINFHSA-N -1 1 329.274 3.727 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)cc2F)cc1 ZINC000683171267 1014726493 /nfs/dbraw/zinc/72/64/93/1014726493.db2.gz IONWIXJZEOQBMG-MRXNPFEDSA-N -1 1 337.778 3.793 20 0 EHADMM CC[C@](C)(NCCOc1ccc(/C=C\C(=O)[O-])cc1)c1nccs1 ZINC001594852193 982092403 /nfs/dbraw/zinc/09/24/03/982092403.db2.gz FXIHOOMFBBOHNY-KKMIYCERSA-N -1 1 346.452 3.535 20 0 EHADMM CSCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000610192654 1014826810 /nfs/dbraw/zinc/82/68/10/1014826810.db2.gz FIDCMJYRZMCHCB-UHFFFAOYSA-N -1 1 347.383 3.768 20 0 EHADMM CCO[C@H](C)c1nc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cs1 ZINC000445480328 1014998291 /nfs/dbraw/zinc/99/82/91/1014998291.db2.gz IICPZLZKQKAWQL-SECBINFHSA-N -1 1 349.387 3.726 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC[C@@H](C3CCC3)CC2)c(C)c1C(=O)[O-] ZINC001599943598 985487878 /nfs/dbraw/zinc/48/78/78/985487878.db2.gz CKAROLLQOCWNJY-GDBMZVCRSA-N -1 1 346.471 3.803 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCC[C@@H](C(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599944821 985507162 /nfs/dbraw/zinc/50/71/62/985507162.db2.gz JELRUNSQOJDOPG-CQSZACIVSA-N -1 1 334.460 3.661 20 0 EHADMM CC(=O)Nc1cccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589204752 985662665 /nfs/dbraw/zinc/66/26/65/985662665.db2.gz CEXCDVBISHPNKJ-GTNSWQLSSA-N -1 1 346.814 3.775 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H](C)c1cccc2ccccc21 ZINC001599961553 985791445 /nfs/dbraw/zinc/79/14/45/985791445.db2.gz UONXDWMSARSDSY-GFCCVEGCSA-N -1 1 336.391 3.708 20 0 EHADMM Cc1[nH]c(CNCc2ccc(-c3ccco3)cc2F)cc1C(=O)[O-] ZINC001599964035 985860601 /nfs/dbraw/zinc/86/06/01/985860601.db2.gz VFZFKSHZSDQDTO-UHFFFAOYSA-N -1 1 328.343 3.710 20 0 EHADMM CCOc1ccc(Cl)cc1CN(CCC(F)(F)F)CC(=O)[O-] ZINC001597105678 986740950 /nfs/dbraw/zinc/74/09/50/986740950.db2.gz ISFIPEKTXGFDIS-UHFFFAOYSA-N -1 1 339.741 3.578 20 0 EHADMM CCOc1cccc([C@H](C)NCc2cc(C(=O)[O-])ccc2OC)c1 ZINC001597151287 986934857 /nfs/dbraw/zinc/93/48/57/986934857.db2.gz ZWKJXYLLXXKRKM-ZDUSSCGKSA-N -1 1 329.396 3.643 20 0 EHADMM CCc1[nH]c(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC001597383907 987585953 /nfs/dbraw/zinc/58/59/53/987585953.db2.gz GWNRUCKKIRZMBL-KZULUSFZSA-N -1 1 330.403 3.998 20 0 EHADMM CCc1cccc(Cl)c1CN1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001597592875 988421833 /nfs/dbraw/zinc/42/18/33/988421833.db2.gz LOHHDEUBVFQADN-UHFFFAOYSA-N -1 1 348.830 3.968 20 0 EHADMM CCc1oc(CN2CCC[C@@H]2CC(=O)c2ccccc2)cc1C(=O)[O-] ZINC001597798355 989364407 /nfs/dbraw/zinc/36/44/07/989364407.db2.gz BMBALVTXVKCDBB-OAHLLOKOSA-N -1 1 341.407 3.778 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2[nH]1 ZINC001590545364 990180716 /nfs/dbraw/zinc/18/07/16/990180716.db2.gz FYKDAGSRLHFVDA-UHFFFAOYSA-N -1 1 337.379 3.811 20 0 EHADMM COc1cccc2cc([C@H](C)NCc3cc(C(=O)[O-])c(C)n3C)oc21 ZINC001599692062 991085721 /nfs/dbraw/zinc/08/57/21/991085721.db2.gz IOELIPMWSLUPFZ-NSHDSACASA-N -1 1 342.395 3.637 20 0 EHADMM COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1ccc(C(=O)[O-])cn1 ZINC001599704554 991272909 /nfs/dbraw/zinc/27/29/09/991272909.db2.gz RFBVZNRYESSMFI-KBXCAEBGSA-N -1 1 340.423 3.762 20 0 EHADMM COc1ccccc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cn1 ZINC001599705076 991280737 /nfs/dbraw/zinc/28/07/37/991280737.db2.gz WNKJDGLPVYOKLN-KRWDZBQOSA-N -1 1 326.396 3.516 20 0 EHADMM CCOc1cc(C(=O)[N-]c2nc(-c3ccccc3F)cs2)on1 ZINC001125306830 1015625216 /nfs/dbraw/zinc/62/52/16/1015625216.db2.gz PUALFYIMYMSGCI-UHFFFAOYSA-N -1 1 333.344 3.588 20 0 EHADMM CC(C)[C@@H](NCc1oncc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591033490 991349330 /nfs/dbraw/zinc/34/93/30/991349330.db2.gz SRAXRQFACHXCDM-CQSZACIVSA-N -1 1 342.317 3.879 20 0 EHADMM COc1ccccc1C[C@H]1CCCN1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599709776 991350890 /nfs/dbraw/zinc/35/08/90/991350890.db2.gz CARQKELRBBNWKX-GXTWGEPZSA-N -1 1 346.452 3.618 20 0 EHADMM CN(C)c1cccc([C@H]2CCCN2[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001598335477 991389555 /nfs/dbraw/zinc/38/95/55/991389555.db2.gz MRSGZINKXLVXGQ-IAGOWNOFSA-N -1 1 330.453 3.777 20 0 EHADMM O=C([O-])[C@H](NCc1cc(F)c(F)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000426732138 1032122792 /nfs/dbraw/zinc/12/27/92/1032122792.db2.gz RSQBIYILVLAYBI-CQSZACIVSA-N -1 1 347.695 3.812 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC001598513245 992586586 /nfs/dbraw/zinc/58/65/86/992586586.db2.gz QEVJQOGUTQCDKA-UHFFFAOYSA-N -1 1 339.313 3.741 20 0 EHADMM O=C(Nc1ccccc1COCc1ccccc1)c1cncc([O-])c1 ZINC000339846417 1015740507 /nfs/dbraw/zinc/74/05/07/1015740507.db2.gz ZBVTVZBPWTXQSK-UHFFFAOYSA-N -1 1 334.375 3.756 20 0 EHADMM COc1ccc(F)cc1CN[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001599584589 993594801 /nfs/dbraw/zinc/59/48/01/993594801.db2.gz NLWWWSZBRUDACU-QGZVFWFLSA-N -1 1 329.371 3.700 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[nH]n1 ZINC000134793359 1015795270 /nfs/dbraw/zinc/79/52/70/1015795270.db2.gz VYRZENWFUGQEPB-UHFFFAOYSA-N -1 1 348.255 3.815 20 0 EHADMM C[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1cc(C(=O)[O-])co1 ZINC001593196672 994157028 /nfs/dbraw/zinc/15/70/28/994157028.db2.gz IETOSPWPUJPJCE-CHWSQXEVSA-N -1 1 342.395 3.516 20 0 EHADMM C[C@H](N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1ncc(C(=O)[O-])s1 ZINC001593218135 994281816 /nfs/dbraw/zinc/28/18/16/994281816.db2.gz DVTYVNPQGMGILN-TUKIKUTGSA-N -1 1 346.452 3.738 20 0 EHADMM O=S(=O)([N-]c1ncccc1Cl)c1cccc(Cl)c1Cl ZINC000180199787 1015880499 /nfs/dbraw/zinc/88/04/99/1015880499.db2.gz WLRFZANUAIECJP-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM COc1cccc([C@@]2(C)CCN([C@@H](C)c3ncc(C(=O)[O-])s3)C2)c1 ZINC001599663518 994692220 /nfs/dbraw/zinc/69/22/20/994692220.db2.gz WFFLTFYUCHUHMZ-SGTLLEGYSA-N -1 1 346.452 3.575 20 0 EHADMM C[C@H](c1nc(C(=O)[O-])co1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001593728066 996288099 /nfs/dbraw/zinc/28/80/99/996288099.db2.gz ADYRDWIDESBXQE-DMRZNYOFSA-N -1 1 326.396 3.844 20 0 EHADMM C[C@@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001593815877 996552223 /nfs/dbraw/zinc/55/22/23/996552223.db2.gz FZMGMZGBVPFVBY-WCQYABFASA-N -1 1 339.716 3.879 20 0 EHADMM COCc1cc(NCc2cnc(-c3ccccc3)[nH]2)cc(C(=O)[O-])c1 ZINC001599289917 997047495 /nfs/dbraw/zinc/04/74/95/997047495.db2.gz QSWRWWMGJKJGHI-UHFFFAOYSA-N -1 1 337.379 3.533 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC001599500254 997104621 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1033085968 /nfs/dbraw/zinc/08/59/68/1033085968.db2.gz YLOFFAICNPNQOT-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000476275796 1033092142 /nfs/dbraw/zinc/09/21/42/1033092142.db2.gz KVEFANCNOYXCLC-UHFFFAOYSA-N -1 1 348.443 3.925 20 0 EHADMM COc1cc(C(=O)Nc2ccc(NC(C)=O)c(C)c2)cc(Cl)c1[O-] ZINC000785403387 1022977700 /nfs/dbraw/zinc/97/77/00/1022977700.db2.gz FXIPOOODKPDIDT-UHFFFAOYSA-N -1 1 348.786 3.573 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1cncc([O-])c1 ZINC000548412293 1023005783 /nfs/dbraw/zinc/00/57/83/1023005783.db2.gz IIBWMEIBPQETCZ-SFHVURJKSA-N -1 1 338.794 3.960 20 0 EHADMM O=C([O-])[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000426738583 1023007633 /nfs/dbraw/zinc/00/76/33/1023007633.db2.gz XHFPIGCQLFCJAI-INIZCTEOSA-N -1 1 341.798 3.646 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1C ZINC000438814884 1023011650 /nfs/dbraw/zinc/01/16/50/1023011650.db2.gz OIRCJGPZMSLWCH-UHFFFAOYSA-N -1 1 331.437 3.943 20 0 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C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])[C@@H]1c1ccccc1 ZINC000436571777 1025902456 /nfs/dbraw/zinc/90/24/56/1025902456.db2.gz DUDXYGSJMWXZEB-ZBEGNZNMSA-N -1 1 346.224 3.988 20 0 EHADMM CN(C)c1cccc(CN(C)C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436594258 1025911440 /nfs/dbraw/zinc/91/14/40/1025911440.db2.gz IFLIMXLERGCVCO-UHFFFAOYSA-N -1 1 334.419 3.884 20 0 EHADMM O=C(N[C@H](CCCO)c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436593343 1025912267 /nfs/dbraw/zinc/91/22/67/1025912267.db2.gz ARALURZMNMTPEC-LJQANCHMSA-N -1 1 335.403 3.789 20 0 EHADMM Cc1nc(CCNC(=O)c2ccc3ccccc3c2[O-])sc1C ZINC000436596967 1025913958 /nfs/dbraw/zinc/91/39/58/1025913958.db2.gz ONBYPPKPBCXRMT-UHFFFAOYSA-N -1 1 326.421 3.591 20 0 EHADMM CCO[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C12CCC2 ZINC000436598721 1025917112 /nfs/dbraw/zinc/91/71/12/1025917112.db2.gz VMDCETSPBXAFGO-OALUTQOASA-N -1 1 339.435 3.965 20 0 EHADMM CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436600308 1025931896 /nfs/dbraw/zinc/93/18/96/1025931896.db2.gz 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Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3C)ccc2n1C ZINC000531438105 1026919284 /nfs/dbraw/zinc/91/92/84/1026919284.db2.gz XNJMUPAXRJZTRE-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531487525 1026982802 /nfs/dbraw/zinc/98/28/02/1026982802.db2.gz XZQQFKOWBJJXDY-KBPBESRZSA-N -1 1 329.421 3.903 20 0 EHADMM Cc1nc(SC[C@H](O)c2ccc(Cl)cc2Cl)[n-]c(=O)c1C ZINC001307323674 1027017846 /nfs/dbraw/zinc/01/78/46/1027017846.db2.gz YRYBJOWVSGWVOE-LBPRGKRZSA-N -1 1 345.251 3.932 20 0 EHADMM Cc1ccc(F)cc1Oc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000302765530 1027281403 /nfs/dbraw/zinc/28/14/03/1027281403.db2.gz LIKGUERVHRDTCK-UHFFFAOYSA-N -1 1 336.326 3.761 20 0 EHADMM CCc1c(C)sc2nc(-c3ccc(Br)o3)[n-]c(=O)c21 ZINC000077478177 1027414271 /nfs/dbraw/zinc/41/42/71/1027414271.db2.gz GVGVLFJBBIOTIG-UHFFFAOYSA-N -1 1 339.214 3.878 20 0 EHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273565425 1027496660 /nfs/dbraw/zinc/49/66/60/1027496660.db2.gz 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/nfs/dbraw/zinc/60/64/50/1028606450.db2.gz ASABTZVTUJTMKF-UHFFFAOYSA-N -1 1 335.407 3.731 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCCOc3ccccc32)cc(Cl)c1[O-] ZINC000153713961 1028643391 /nfs/dbraw/zinc/64/33/91/1028643391.db2.gz INCJXMAQUWNUAG-AWEZNQCLSA-N -1 1 347.798 3.698 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCCc2sccc21 ZINC000343012565 1028650104 /nfs/dbraw/zinc/65/01/04/1028650104.db2.gz LOFRFQXOAOTMJS-CQSZACIVSA-N -1 1 339.420 3.902 20 0 EHADMM COc1cc(-c2noc(-c3ccccc3)n2)cc(Br)c1[O-] ZINC000445390276 1028746157 /nfs/dbraw/zinc/74/61/57/1028746157.db2.gz GZUKVSVCXLCHTC-UHFFFAOYSA-N -1 1 347.168 3.880 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)c(C)c1 ZINC000523976945 1028754207 /nfs/dbraw/zinc/75/42/07/1028754207.db2.gz LFPWGRWICMBEHV-UHFFFAOYSA-N -1 1 334.441 3.534 20 0 EHADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3C(F)F)ccc2O1 ZINC000424069572 1028772778 /nfs/dbraw/zinc/77/27/78/1028772778.db2.gz PXNSDAPSYALPBE-JTQLQIEISA-N -1 1 339.363 3.748 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(-c4cccnc4)on3)n2)c(Cl)c1 ZINC000445450991 1028786198 /nfs/dbraw/zinc/78/61/98/1028786198.db2.gz ZFUGWWVLGHCNEO-UHFFFAOYSA-N -1 1 340.726 3.813 20 0 EHADMM C[C@H](NC(=O)c1cccs1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445442333 1028798715 /nfs/dbraw/zinc/79/87/15/1028798715.db2.gz BVONHUQIMQSZCS-QMMMGPOBSA-N -1 1 349.799 3.648 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3COc4ccccc4O3)n2)c(Cl)c1 ZINC000445445570 1028803736 /nfs/dbraw/zinc/80/37/36/1028803736.db2.gz ABVCDHRKAVSHFL-CQSZACIVSA-N -1 1 330.727 3.608 20 0 EHADMM COc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1OC ZINC000445446691 1028805825 /nfs/dbraw/zinc/80/58/25/1028805825.db2.gz FKAKNUQJUDUTJB-UHFFFAOYSA-N -1 1 332.743 3.780 20 0 EHADMM COc1cccc2[nH]cc(Cc3nc(-c4ccc([O-])c(F)c4)no3)c21 ZINC000445471712 1028815569 /nfs/dbraw/zinc/81/55/69/1028815569.db2.gz IEHUXYTYJHEQJB-UHFFFAOYSA-N -1 1 339.326 3.662 20 0 EHADMM COc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1F ZINC000445452308 1028818115 /nfs/dbraw/zinc/81/81/15/1028818115.db2.gz 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Cn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000080076105 1029818625 /nfs/dbraw/zinc/81/86/25/1029818625.db2.gz SHNZQPNUCDZLGB-CQSZACIVSA-N -1 1 336.505 3.544 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc(C)c1F ZINC000343232926 1029841931 /nfs/dbraw/zinc/84/19/31/1029841931.db2.gz PGZZRPCHMLNXPQ-UHFFFAOYSA-N -1 1 325.343 3.791 20 0 EHADMM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000287602615 1029847414 /nfs/dbraw/zinc/84/74/14/1029847414.db2.gz YJQJAFCLNWRDHV-ZBFHGGJFSA-N -1 1 327.424 3.701 20 0 EHADMM Cc1nn(C)c(C)c1C[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278263802 1029859157 /nfs/dbraw/zinc/85/91/57/1029859157.db2.gz VBGGGSPNXOPFID-SECBINFHSA-N -1 1 346.818 3.792 20 0 EHADMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc(F)ccc1[O-] ZINC000151012932 1029932802 /nfs/dbraw/zinc/93/28/02/1029932802.db2.gz YAVBEPWSHINKHK-UHFFFAOYSA-N -1 1 343.276 3.702 20 0 EHADMM O=C([O-])c1cc(Cl)ccc1CN1CC[C@@H](OCc2ccccc2)C1 ZINC001142657164 1030027424 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CCOc1ccccc1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445458479 1031903884 /nfs/dbraw/zinc/90/38/84/1031903884.db2.gz YALHNTGYMUYMRL-UHFFFAOYSA-N -1 1 328.343 3.765 20 0 EHADMM COC(=O)c1c[n-]c(SCc2nc(C3CCCCC3)cs2)n1 ZINC000278673041 1031936575 /nfs/dbraw/zinc/93/65/75/1031936575.db2.gz OFJINUFORFGCEF-UHFFFAOYSA-N -1 1 337.470 3.993 20 0 EHADMM CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000484822191 1031994415 /nfs/dbraw/zinc/99/44/15/1031994415.db2.gz QFFQTROEYBUQRH-CQSZACIVSA-N -1 1 348.240 3.906 20 0 EHADMM [O-]c1ccc(-c2noc(-c3nc(C4CC4)n4ccccc34)n2)c(F)c1 ZINC000445462319 1031999195 /nfs/dbraw/zinc/99/91/95/1031999195.db2.gz KMDZNYUCAVVVNI-UHFFFAOYSA-N -1 1 336.326 3.773 20 0 EHADMM COc1ccc2c(CC(=O)Nc3cc(F)cc(F)c3[O-])coc2c1C ZINC001142545398 1033394505 /nfs/dbraw/zinc/39/45/05/1033394505.db2.gz AYXPKWBTUCLPIW-UHFFFAOYSA-N -1 1 347.317 3.915 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC2(CC2(F)F)CC1 ZINC000898277304 1033425107 /nfs/dbraw/zinc/42/51/07/1033425107.db2.gz 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EHADMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3)[nH]n2)cc1 ZINC000612065215 1033984012 /nfs/dbraw/zinc/98/40/12/1033984012.db2.gz KMWBLRHPTLOOLC-UHFFFAOYSA-N -1 1 341.436 3.830 20 0 EHADMM CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000231348196 1034013557 /nfs/dbraw/zinc/01/35/57/1034013557.db2.gz FLUBVXMLAXORJS-DGCLKSJQSA-N -1 1 344.274 3.559 20 0 EHADMM CCN(C(=O)c1ccc([O-])cc1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000456098104 1034092593 /nfs/dbraw/zinc/09/25/93/1034092593.db2.gz LCOJONUOHJXJRA-CYBMUJFWSA-N -1 1 331.387 3.633 20 0 EHADMM CCCc1noc2nc(CC)cc(C(=O)Nc3c([O-])cccc3F)c12 ZINC000669713390 1034288249 /nfs/dbraw/zinc/28/82/49/1034288249.db2.gz JWVFGQRRJJHWKW-UHFFFAOYSA-N -1 1 343.358 3.835 20 0 EHADMM CCCN(CCC)S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000534331705 1034406157 /nfs/dbraw/zinc/40/61/57/1034406157.db2.gz AEQZQIGLXMWCRG-UHFFFAOYSA-N -1 1 339.486 3.589 20 0 EHADMM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000601365752 1034470216 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O=C(Nc1cccc(F)c1[O-])C1(c2cccc(Cl)c2)CCOCC1 ZINC000530006060 1034872545 /nfs/dbraw/zinc/87/25/45/1034872545.db2.gz NEWISDLUTFQMBR-UHFFFAOYSA-N -1 1 349.789 3.872 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccccc1C ZINC000062481897 1034877154 /nfs/dbraw/zinc/87/71/54/1034877154.db2.gz CXOVQJITYFGNFF-UHFFFAOYSA-N -1 1 347.436 3.504 20 0 EHADMM CC1(C)CC(=O)c2cc(NC(=O)c3ccc([O-])cc3F)ccc2O1 ZINC000375925089 1034934562 /nfs/dbraw/zinc/93/45/62/1034934562.db2.gz QLFUMRSJUJDXCT-UHFFFAOYSA-N -1 1 329.327 3.527 20 0 EHADMM CCSCc1ccnc([N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000450991431 1035002846 /nfs/dbraw/zinc/00/28/46/1035002846.db2.gz WMRWYZCAMHHLSR-UHFFFAOYSA-N -1 1 328.503 3.657 20 0 EHADMM O=S(=O)([N-]c1cccc(C2CCOCC2)c1)c1ccc(F)cc1 ZINC000530143927 1035003619 /nfs/dbraw/zinc/00/36/19/1035003619.db2.gz CIJZXBGHVKNOPH-UHFFFAOYSA-N -1 1 335.400 3.521 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1 ZINC000008697850 1035039267 /nfs/dbraw/zinc/03/92/67/1035039267.db2.gz WFESHTFBEIECFT-UHFFFAOYSA-N 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/nfs/dbraw/zinc/64/65/69/1035646569.db2.gz QTGKRJPFPNIXSB-UHFFFAOYSA-N -1 1 330.409 3.513 20 0 EHADMM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000463681335 1035738234 /nfs/dbraw/zinc/73/82/34/1035738234.db2.gz BMWHCKQUXCXFAL-NSHDSACASA-N -1 1 327.808 3.561 20 0 EHADMM CCc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)[n-]c(=O)c1C ZINC000571896775 1035778460 /nfs/dbraw/zinc/77/84/60/1035778460.db2.gz JYYURCOPOSRAQS-UHFFFAOYSA-N -1 1 346.496 3.931 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(F)c2Br)C1 ZINC000156963559 1036111609 /nfs/dbraw/zinc/11/16/09/1036111609.db2.gz WGBVVPHPIOHRSF-NSHDSACASA-N -1 1 344.224 3.665 20 0 EHADMM O=C(NC1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)cc1[O-] ZINC000760714356 1036164760 /nfs/dbraw/zinc/16/47/60/1036164760.db2.gz KQNPVMZSGBBZAI-UHFFFAOYSA-N -1 1 345.826 3.606 20 0 EHADMM CCCOc1ccccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000642214624 1036177918 /nfs/dbraw/zinc/17/79/18/1036177918.db2.gz MYVWHSOVPACDLJ-UHFFFAOYSA-N -1 1 349.452 3.902 20 0 EHADMM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000613510485 1036198073 /nfs/dbraw/zinc/19/80/73/1036198073.db2.gz NWEDETCJXHRIJJ-UHFFFAOYSA-N -1 1 345.370 3.668 20 0 EHADMM Cc1c(C(=O)[N-]NC(=O)c2ccccc2F)oc2c1c(C)ccc2C ZINC000056381002 1036235053 /nfs/dbraw/zinc/23/50/53/1036235053.db2.gz IVTMPBCWZQMMPX-UHFFFAOYSA-N -1 1 340.354 3.572 20 0 EHADMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000541827409 1036682032 /nfs/dbraw/zinc/68/20/32/1036682032.db2.gz GLEPDRNXTAMTMT-JTQLQIEISA-N -1 1 329.771 3.595 20 0 EHADMM COC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000057365291 1036830558 /nfs/dbraw/zinc/83/05/58/1036830558.db2.gz SNGIWKLMTWYBGJ-UHFFFAOYSA-N -1 1 328.368 3.946 20 0 EHADMM Cc1nc(SCc2ccc(Oc3ccccc3)nn2)[n-]c(=O)c1C ZINC000539618946 1036987743 /nfs/dbraw/zinc/98/77/43/1036987743.db2.gz XIKCJHHCFQKUCA-UHFFFAOYSA-N -1 1 340.408 3.674 20 0 EHADMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cocc1C ZINC001272555982 1037074260 /nfs/dbraw/zinc/07/42/60/1037074260.db2.gz 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ZINC000914421942 1037826030 /nfs/dbraw/zinc/82/60/30/1037826030.db2.gz IGKALVWKSHPTSO-LLVKDONJSA-N -1 1 347.789 4.000 20 0 EHADMM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC000532620971 1037941981 /nfs/dbraw/zinc/94/19/81/1037941981.db2.gz SHGKHQJQWXJKCB-VIFPVBQESA-N -1 1 343.276 3.956 20 0 EHADMM O=C(NCC1(c2cccc(Cl)c2)CC1)c1c(F)ccc([O-])c1F ZINC000540530529 1038058574 /nfs/dbraw/zinc/05/85/74/1038058574.db2.gz QTUAUZGTVJRMEQ-UHFFFAOYSA-N -1 1 337.753 3.785 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc1F ZINC000180276669 1038116422 /nfs/dbraw/zinc/11/64/22/1038116422.db2.gz LZUXVLILIIDECF-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM CC[C@@H](c1nnc([N-]C(=O)c2ncoc2C)s1)c1ccccc1 ZINC000106719596 1038193236 /nfs/dbraw/zinc/19/32/36/1038193236.db2.gz FHVJKJWUAJFQDM-GFCCVEGCSA-N -1 1 328.397 3.629 20 0 EHADMM CC[C@@H](c1nnc([N-]C(=O)c2cc(C)on2)s1)c1ccccc1 ZINC000106720214 1038193873 /nfs/dbraw/zinc/19/38/73/1038193873.db2.gz CZQJUOIXPVKOEG-GFCCVEGCSA-N -1 1 328.397 3.629 20 0 EHADMM CCOC(=O)c1cc(NC(=O)c2oc3ccc(Cl)cc3c2C)n[nH]1 ZINC000180932125 1038290466 /nfs/dbraw/zinc/29/04/66/1038290466.db2.gz UBDWWDCXZSJCKN-UHFFFAOYSA-N -1 1 347.758 3.547 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1 ZINC000461334548 1038346746 /nfs/dbraw/zinc/34/67/46/1038346746.db2.gz QQYNMCMGSISOLZ-UHFFFAOYSA-N -1 1 329.421 3.958 20 0 EHADMM O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339120718 1038357513 /nfs/dbraw/zinc/35/75/13/1038357513.db2.gz RKPHSFYYJXCZOC-UHFFFAOYSA-N -1 1 346.390 3.835 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCc2ccccc21 ZINC000339138687 1038431524 /nfs/dbraw/zinc/43/15/24/1038431524.db2.gz YXJZIJOVOOMDEB-KRWDZBQOSA-N -1 1 333.391 3.841 20 0 EHADMM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1cc(Cl)ccn1 ZINC000312173574 1038644150 /nfs/dbraw/zinc/64/41/50/1038644150.db2.gz UTGJNDFBNDZYRF-VURMDHGXSA-N -1 1 329.208 3.801 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2CCN(C3CC3)c3ccccc32)c1 ZINC000613711317 1038728301 /nfs/dbraw/zinc/72/83/01/1038728301.db2.gz XOKLIVOESHTGAZ-UHFFFAOYSA-N -1 1 340.448 3.743 20 0 EHADMM Cc1nsc(C)c1CN[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905402289 1038858322 /nfs/dbraw/zinc/85/83/22/1038858322.db2.gz HCRDHFIAOWKSGD-ZDUSSCGKSA-N -1 1 344.358 3.694 20 0 EHADMM CC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccccc1F ZINC000416647769 1038863400 /nfs/dbraw/zinc/86/34/00/1038863400.db2.gz NHENDGJKJQIBGW-SFHVURJKSA-N -1 1 349.427 3.558 20 0 EHADMM Cc1c(C(=O)Nc2cc(F)cc(F)c2[O-])cnn1C1CCCCC1 ZINC000910983317 1039179702 /nfs/dbraw/zinc/17/97/02/1039179702.db2.gz OSUCGZMXZZGRHN-UHFFFAOYSA-N -1 1 335.354 3.933 20 0 EHADMM CC(C)c1[nH]ccc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000552377381 1039236751 /nfs/dbraw/zinc/23/67/51/1039236751.db2.gz XCRVEWMLALEEIK-UHFFFAOYSA-N -1 1 334.832 3.917 20 0 EHADMM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000485652232 1039355414 /nfs/dbraw/zinc/35/54/14/1039355414.db2.gz AHPHSOPYYJCORS-LLVKDONJSA-N -1 1 341.798 3.806 20 0 EHADMM O=C([N-]c1nnc(-c2ccco2)s1)c1nc(Cl)ccc1Cl ZINC000053210254 1039425786 /nfs/dbraw/zinc/42/57/86/1039425786.db2.gz CCRKZFKVOQWEHK-UHFFFAOYSA-N -1 1 341.179 3.752 20 0 EHADMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cncc([O-])c1 ZINC000109042391 1039605289 /nfs/dbraw/zinc/60/52/89/1039605289.db2.gz SQCJRZXNLKMECX-SECBINFHSA-N -1 1 325.195 3.927 20 0 EHADMM Cc1nc(=Nc2ccc(N3CCCCC3)c3ncccc23)s[n-]1 ZINC000480566598 1039705236 /nfs/dbraw/zinc/70/52/36/1039705236.db2.gz YKKTVEXDLLMXFI-UHFFFAOYSA-N -1 1 325.441 3.551 20 0 EHADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2coc3ccccc32)on1 ZINC000906990912 1039869081 /nfs/dbraw/zinc/86/90/81/1039869081.db2.gz HFQWZGLPTCGATF-UHFFFAOYSA-N -1 1 348.424 3.803 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c1Cl ZINC000479159324 1040006442 /nfs/dbraw/zinc/00/64/42/1040006442.db2.gz NWMGYQIOPIILKC-LBPRGKRZSA-N -1 1 341.782 3.658 20 0 EHADMM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(OC)ccc2F)cc1 ZINC000417583524 1040033201 /nfs/dbraw/zinc/03/32/01/1040033201.db2.gz WQWZLCGVJRJBHG-SFHVURJKSA-N -1 1 347.386 3.539 20 0 EHADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cccc3c2OCO3)cc1 ZINC000417574945 1040036086 /nfs/dbraw/zinc/03/60/86/1040036086.db2.gz SHVQVXSAHDPWBV-QGZVFWFLSA-N -1 1 341.407 3.844 20 0 EHADMM O=S(=O)([N-]c1nc2ccc(F)cc2[nH]1)c1ccc2ccccc2c1 ZINC000486571655 1040257293 /nfs/dbraw/zinc/25/72/93/1040257293.db2.gz NEASGFWKCLKFAM-UHFFFAOYSA-N -1 1 341.367 3.656 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000479550247 1040364193 /nfs/dbraw/zinc/36/41/93/1040364193.db2.gz BDIVQTSLASDBHR-UHFFFAOYSA-N -1 1 335.400 3.514 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899425182 1040488339 /nfs/dbraw/zinc/48/83/39/1040488339.db2.gz PFBHAGKEIFREDU-XPTSAGLGSA-N -1 1 333.737 3.850 20 0 EHADMM Cc1nc(S(=O)(=O)Cc2cc(C)ccc2C)[nH]c1-c1ccccc1 ZINC000490412258 1040542544 /nfs/dbraw/zinc/54/25/44/1040542544.db2.gz FACSVFSEKVFWSB-UHFFFAOYSA-N -1 1 340.448 3.976 20 0 EHADMM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc([O-])c1Br ZINC000908709129 1040605321 /nfs/dbraw/zinc/60/53/21/1040605321.db2.gz KQGQLJOCUXEVKE-LLVKDONJSA-N -1 1 344.249 3.935 20 0 EHADMM Cc1ccc(CS(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)cc1C ZINC000558132297 1040596034 /nfs/dbraw/zinc/59/60/34/1040596034.db2.gz QIIJRFQQGIQQHS-UHFFFAOYSA-N -1 1 335.473 3.557 20 0 EHADMM CC1CCC(OCC(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908707738 1040601259 /nfs/dbraw/zinc/60/12/59/1040601259.db2.gz JFFYMQWCXPXNAD-UHFFFAOYSA-N -1 1 342.233 3.689 20 0 EHADMM COC(=O)C[C@@H](C)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000600135161 1040706191 /nfs/dbraw/zinc/70/61/91/1040706191.db2.gz DCUZJSDRTSIABW-JTQLQIEISA-N -1 1 335.787 3.727 20 0 EHADMM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909976493 1041086840 /nfs/dbraw/zinc/08/68/40/1041086840.db2.gz KFFQCHHTIPUJBD-LLVKDONJSA-N -1 1 335.350 3.886 20 0 EHADMM Cc1c(C(=O)Nc2cc([O-])c(F)cc2F)cnn1C1CCCCC1 ZINC000909985547 1041094463 /nfs/dbraw/zinc/09/44/63/1041094463.db2.gz LJIGXEBMPBUDJR-UHFFFAOYSA-N -1 1 335.354 3.933 20 0 EHADMM Cc1ccc(N2CCCC2)c(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC000909980565 1041105257 /nfs/dbraw/zinc/10/52/57/1041105257.db2.gz AWBWDRNIOYMBMN-UHFFFAOYSA-N -1 1 332.350 3.831 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccccc1N1CCCCC1 ZINC000909981672 1041108160 /nfs/dbraw/zinc/10/81/60/1041108160.db2.gz VUQRLUNQAHBWNL-UHFFFAOYSA-N -1 1 332.350 3.913 20 0 EHADMM CCOc1ccc(OCCSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000571091938 1041180806 /nfs/dbraw/zinc/18/08/06/1041180806.db2.gz GJZPKVZCBNILMR-UHFFFAOYSA-N -1 1 342.367 3.690 20 0 EHADMM O=C(Nc1cc(F)c(Br)c(Cl)c1)c1cncc([O-])c1 ZINC000336812018 1041249078 /nfs/dbraw/zinc/24/90/78/1041249078.db2.gz PRNDPSWWHWRCBL-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM CN(Cc1cc(Cl)ccc1F)C(=O)c1c(F)ccc([O-])c1F ZINC000571365347 1041295614 /nfs/dbraw/zinc/29/56/14/1041295614.db2.gz LUUMASTZANRHRA-UHFFFAOYSA-N -1 1 329.705 3.735 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c2cccnc12 ZINC000047251754 1041594213 /nfs/dbraw/zinc/59/42/13/1041594213.db2.gz OCFQQPZJJRDXJE-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM CCc1[n-][nH]c(=NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1Br ZINC000511785786 1041613974 /nfs/dbraw/zinc/61/39/74/1041613974.db2.gz NAEPFFAFWQAXER-XYPYZODXSA-N -1 1 342.281 3.557 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C)c1O ZINC000047383655 1041620612 /nfs/dbraw/zinc/62/06/12/1041620612.db2.gz GLDQUDFVALKRLS-UHFFFAOYSA-N -1 1 329.780 3.602 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628649892 1042316938 /nfs/dbraw/zinc/31/69/38/1042316938.db2.gz PNIYMQYSQNPRTO-NEPJUHHUSA-N -1 1 348.855 3.704 20 0 EHADMM O=C(Nc1cccc(Cl)c1O)c1cccc(Br)c1[O-] ZINC000605893921 1042415968 /nfs/dbraw/zinc/41/59/68/1042415968.db2.gz YCVOVRAJQJPQCG-UHFFFAOYSA-N -1 1 342.576 3.766 20 0 EHADMM CCN(Cc1ccc2c(c1)OCO2)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000652379679 1042437976 /nfs/dbraw/zinc/43/79/76/1042437976.db2.gz DGHBSJKPMAGZTG-NSHDSACASA-N -1 1 331.368 3.598 20 0 EHADMM CC[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000652396208 1042445473 /nfs/dbraw/zinc/44/54/73/1042445473.db2.gz DLEJILOUFCLHRL-HZMBPMFUSA-N -1 1 344.224 3.836 20 0 EHADMM O=C([O-])CC1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000652465976 1042489215 /nfs/dbraw/zinc/48/92/15/1042489215.db2.gz ZNTQAEANXSHNAX-UHFFFAOYSA-N -1 1 332.227 3.559 20 0 EHADMM COc1cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)ccc1SC ZINC000652470837 1042491101 /nfs/dbraw/zinc/49/11/01/1042491101.db2.gz KUIHYNALBYCXJP-INIZCTEOSA-N -1 1 343.448 3.601 20 0 EHADMM COC(=O)c1cc(C(=O)[N-]c2nc(C3CCCCCC3)cs2)on1 ZINC000601700815 1042625839 /nfs/dbraw/zinc/62/58/39/1042625839.db2.gz HKRSBGMVRGOBTI-UHFFFAOYSA-N -1 1 349.412 3.608 20 0 EHADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nnc(-c3ccco3)s2)n1 ZINC000344240773 1043492354 /nfs/dbraw/zinc/49/23/54/1043492354.db2.gz MVFJFDSYKMUFDW-UHFFFAOYSA-N -1 1 349.803 3.617 20 0 EHADMM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000318751760 1043717913 /nfs/dbraw/zinc/71/79/13/1043717913.db2.gz UVSRFHXEGUHTKE-UHFFFAOYSA-N -1 1 336.844 3.723 20 0 EHADMM COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1NC(C)=O ZINC000051129583 1044375175 /nfs/dbraw/zinc/37/51/75/1044375175.db2.gz SAFWXDXJEMXRLD-UHFFFAOYSA-N -1 1 342.395 3.735 20 0 EHADMM CCOCc1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000337767988 1044427965 /nfs/dbraw/zinc/42/79/65/1044427965.db2.gz UIHGMVYCBCTPCO-UHFFFAOYSA-N -1 1 337.466 3.746 20 0 EHADMM Cn1[n-]cc2/c(=N\C(=O)c3ccc(C4CCCCC4)cc3)ccnc1-2 ZINC000279738648 1044510762 /nfs/dbraw/zinc/51/07/62/1044510762.db2.gz JZVJOUJDBMXAGP-NKFKGCMQSA-N -1 1 334.423 3.642 20 0 EHADMM CCc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)co1 ZINC000153662768 1125644792 /nfs/dbraw/zinc/64/47/92/1125644792.db2.gz SLNJCWXLBPCXKS-UHFFFAOYSA-N -1 1 334.788 3.661 20 0 EHADMM COc1cc(C(=O)NCCc2cc3ccccc3[nH]2)cc(Cl)c1[O-] ZINC000154013087 1125685031 /nfs/dbraw/zinc/68/50/31/1125685031.db2.gz OSQTVALKMCIJLT-UHFFFAOYSA-N -1 1 344.798 3.508 20 0 EHADMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc([O-])cc1F ZINC000154985395 1125772854 /nfs/dbraw/zinc/77/28/54/1125772854.db2.gz MOJSZLDTSQPERZ-UHFFFAOYSA-N -1 1 343.276 3.702 20 0 EHADMM O=C(NCC1CCC(F)(F)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000622583609 1126724194 /nfs/dbraw/zinc/72/41/94/1126724194.db2.gz AOBGAXAVSFOKEM-UHFFFAOYSA-N -1 1 337.288 3.966 20 0 EHADMM O=C(c1nc[n-]c1-c1nc([C@@H]2CCCCS2)no1)c1ccccc1 ZINC000350184054 1127066068 /nfs/dbraw/zinc/06/60/68/1127066068.db2.gz RXTMQXIQFKTAPA-LBPRGKRZSA-N -1 1 340.408 3.649 20 0 EHADMM Cc1nc([C@@H]2CCCO2)sc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000350585186 1127089186 /nfs/dbraw/zinc/08/91/86/1127089186.db2.gz ATUWKIXLECCUIN-LBPRGKRZSA-N -1 1 347.371 3.865 20 0 EHADMM CC(C)Oc1ccc(-c2nc(C(=O)[N-]c3cnoc3)cs2)cc1 ZINC000623938953 1127218966 /nfs/dbraw/zinc/21/89/66/1127218966.db2.gz VOYCNJQKCQELMQ-UHFFFAOYSA-N -1 1 329.381 3.838 20 0 EHADMM O=C(NCc1ccc2c(c1)CCCN2)c1ccc2ccccc2c1[O-] ZINC000381843724 1127494502 /nfs/dbraw/zinc/49/45/02/1127494502.db2.gz YTDGUKUARCIANJ-UHFFFAOYSA-N -1 1 332.403 3.834 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1noc(-c2ccccc2)n1 ZINC000764626068 1127515273 /nfs/dbraw/zinc/51/52/73/1127515273.db2.gz RJDWWCPNQDCJHE-JTQLQIEISA-N -1 1 343.770 3.587 20 0 EHADMM Cc1ccsc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000026823521 1127774570 /nfs/dbraw/zinc/77/45/70/1127774570.db2.gz KIRZCAWXOXLKKD-UHFFFAOYSA-N -1 1 342.294 3.903 20 0 EHADMM CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058150078 1128063642 /nfs/dbraw/zinc/06/36/42/1128063642.db2.gz PTBVXYWCAJFFEG-UHFFFAOYSA-N -1 1 346.452 3.925 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)c([O-])c1 ZINC000065080627 1128183857 /nfs/dbraw/zinc/18/38/57/1128183857.db2.gz DMBYAIWJANZIPO-UHFFFAOYSA-N -1 1 327.380 3.580 20 0 EHADMM CCc1ccc2c(c1)CCN(C(=O)NCc1ccc([O-])c(Cl)c1)C2 ZINC001687490997 1128831852 /nfs/dbraw/zinc/83/18/52/1128831852.db2.gz PVEPXTWUTJDWIA-UHFFFAOYSA-N -1 1 344.842 3.876 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1CCCc2ccccc21 ZINC001687491041 1128834036 /nfs/dbraw/zinc/83/40/36/1128834036.db2.gz RUFDFYPQBDRKLD-MRXNPFEDSA-N -1 1 330.815 3.922 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1 ZINC000007050484 1128846119 /nfs/dbraw/zinc/84/61/19/1128846119.db2.gz DQTMISQHGPVXGJ-LBPRGKRZSA-N -1 1 329.425 3.877 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1ccc(Br)c(C)c1 ZINC000170248596 1120195186 /nfs/dbraw/zinc/19/51/86/1120195186.db2.gz GMWAWXAJEQAEMO-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000110325078 1120333095 /nfs/dbraw/zinc/33/30/95/1120333095.db2.gz MVRJLVMXGGQNFK-ZWNOBZJWSA-N -1 1 326.234 3.853 20 0 EHADMM O=C(NCc1ccccc1Cl)c1ccc(Br)cc1[O-] ZINC000110324849 1120333107 /nfs/dbraw/zinc/33/31/07/1120333107.db2.gz GFUSSTQATZXUJH-UHFFFAOYSA-N -1 1 340.604 3.738 20 0 EHADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000110325080 1120333425 /nfs/dbraw/zinc/33/34/25/1120333425.db2.gz MVRJLVMXGGQNFK-GXFFZTMASA-N -1 1 326.234 3.853 20 0 EHADMM COC1(C(=O)Nc2cc(C)cc(Br)c2[O-])CCCCC1 ZINC000186171529 1120447408 /nfs/dbraw/zinc/44/74/08/1120447408.db2.gz ANDAJEUHGOATBO-UHFFFAOYSA-N -1 1 342.233 3.751 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000187049701 1120485033 /nfs/dbraw/zinc/48/50/33/1120485033.db2.gz XTMRRHGFCWIPCJ-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1ccc(C)c(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)c1 ZINC000195735063 1120814610 /nfs/dbraw/zinc/81/46/10/1120814610.db2.gz ACHGWFKXPRHIEX-UHFFFAOYSA-N -1 1 347.484 3.518 20 0 EHADMM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000494818726 1120866327 /nfs/dbraw/zinc/86/63/27/1120866327.db2.gz MFEYFEGTCYSDCP-UHFFFAOYSA-N -1 1 332.403 3.938 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000008697549 1128951513 /nfs/dbraw/zinc/95/15/13/1128951513.db2.gz QUOMIOFKPPLTTM-UHFFFAOYSA-N -1 1 347.362 3.527 20 0 EHADMM CC1CCC(CNC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000231328778 1121028224 /nfs/dbraw/zinc/02/82/24/1121028224.db2.gz GGLDCBMRCJPFGP-UHFFFAOYSA-N -1 1 326.234 3.711 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2ccc(C)cc2Cl)c1 ZINC000761991980 1121047451 /nfs/dbraw/zinc/04/74/51/1121047451.db2.gz MARWZDITISIBNW-UHFFFAOYSA-N -1 1 346.810 3.885 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@@H](C)[C@H]1C ZINC000495896674 1121562298 /nfs/dbraw/zinc/56/22/98/1121562298.db2.gz QRZLNPQZWKNUQB-AGIUHOORSA-N -1 1 348.443 3.856 20 0 EHADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000648824158 1121571876 /nfs/dbraw/zinc/57/18/76/1121571876.db2.gz GNOFKBDQXGZTQX-FUHWJXTLSA-N -1 1 343.467 3.886 20 0 EHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000436478974 1121794711 /nfs/dbraw/zinc/79/47/11/1121794711.db2.gz OWMCLFRDPSRUBS-UHFFFAOYSA-N -1 1 338.226 3.893 20 0 EHADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)N(C)C(=O)OC(C)(C)C ZINC000496558180 1122119217 /nfs/dbraw/zinc/11/92/17/1122119217.db2.gz GEOBTXPKOZFNFM-VIFPVBQESA-N -1 1 337.351 3.509 20 0 EHADMM CCCCN(OC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000497304611 1122446150 /nfs/dbraw/zinc/44/61/50/1122446150.db2.gz MMEYKCBEOMJUQR-UHFFFAOYSA-N -1 1 338.404 3.543 20 0 EHADMM Cc1cc(C)nc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000127141122 1122465620 /nfs/dbraw/zinc/46/56/20/1122465620.db2.gz UWTGPDGUOAQJHO-UHFFFAOYSA-N -1 1 344.358 3.659 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(Br)ccc2Cl)C1 ZINC000226418420 1122520352 /nfs/dbraw/zinc/52/03/52/1122520352.db2.gz BUALVTHVZBBBIX-JTQLQIEISA-N -1 1 346.652 3.789 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc2n[nH]cc21 ZINC000499262682 1123315144 /nfs/dbraw/zinc/31/51/44/1123315144.db2.gz IBNKKJKPDPNUNX-UHFFFAOYSA-N -1 1 329.425 3.796 20 0 EHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000499338319 1123355287 /nfs/dbraw/zinc/35/52/87/1123355287.db2.gz IWZYWFJVPGRMEB-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CCC/C=C\C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000920462684 1123371544 /nfs/dbraw/zinc/37/15/44/1123371544.db2.gz HBHRMYGGAYONOW-ACAGNQJTSA-N -1 1 344.436 3.782 20 0 EHADMM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1cc2ccccc2o1 ZINC000134087004 1123489632 /nfs/dbraw/zinc/48/96/32/1123489632.db2.gz CQTDUABHFZQUSK-HNNXBMFYSA-N -1 1 343.404 3.625 20 0 EHADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(F)cc3C)c2C)o1 ZINC000135404249 1123609828 /nfs/dbraw/zinc/60/98/28/1123609828.db2.gz JUJCJVVXJHJCLY-UHFFFAOYSA-N -1 1 349.387 3.535 20 0 EHADMM CCN(CC(C)C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000135786621 1123645776 /nfs/dbraw/zinc/64/57/76/1123645776.db2.gz NIMKWGIRBNCMRT-UHFFFAOYSA-N -1 1 336.432 3.857 20 0 EHADMM O=C([N-]c1cc(-c2ccccc2)on1)c1occc1Br ZINC000081790130 1123902229 /nfs/dbraw/zinc/90/22/29/1123902229.db2.gz PWKPARMXPDPHQF-UHFFFAOYSA-N -1 1 333.141 3.949 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)ccc1F ZINC000180277830 1123975196 /nfs/dbraw/zinc/97/51/96/1123975196.db2.gz HRJZPTJPEVYWJK-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM COc1c(F)ccc(F)c1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617096357 1124084150 /nfs/dbraw/zinc/08/41/50/1124084150.db2.gz QXXXVJXMARDCHE-UHFFFAOYSA-N -1 1 341.383 3.666 20 0 EHADMM CCc1cc2c(COC(=O)[C@@H](C)C(C)(C)C)cc(=O)oc2cc1[O-] ZINC000734626636 1131260649 /nfs/dbraw/zinc/26/06/49/1131260649.db2.gz ZSLWFDHBRPZJQU-LLVKDONJSA-N -1 1 332.396 3.786 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cccc(Br)c1 ZINC000617365396 1124499628 /nfs/dbraw/zinc/49/96/28/1124499628.db2.gz KNGDUFFVTVBHHF-UHFFFAOYSA-N -1 1 348.225 3.575 20 0 EHADMM O=C([O-])CCCCN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000263572077 1124571597 /nfs/dbraw/zinc/57/15/97/1124571597.db2.gz KJLSIWNLNSNFQV-AWEZNQCLSA-N -1 1 344.224 3.980 20 0 EHADMM COCc1csc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000618528462 1125099474 /nfs/dbraw/zinc/09/94/74/1125099474.db2.gz YUWGXFWPHALPMK-UHFFFAOYSA-N -1 1 345.342 3.549 20 0 EHADMM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1ccc([O-])cc1F ZINC000618981656 1125256517 /nfs/dbraw/zinc/25/65/17/1125256517.db2.gz CGPCOPWUNNKCLN-DIFFPNOSSA-N -1 1 349.789 3.787 20 0 EHADMM CCOc1ccc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000673139911 1129206816 /nfs/dbraw/zinc/20/68/16/1129206816.db2.gz VNYUDESRQFKNCF-LLVKDONJSA-N -1 1 349.814 3.944 20 0 EHADMM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000673150865 1129213377 /nfs/dbraw/zinc/21/33/77/1129213377.db2.gz FOZFBQQTQXSQKO-DIFFPNOSSA-N -1 1 349.789 3.787 20 0 EHADMM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000543164866 1129304286 /nfs/dbraw/zinc/30/42/86/1129304286.db2.gz AEBBJHWJDMXQCG-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])Cc2ccccc21 ZINC000922325076 1129468663 /nfs/dbraw/zinc/46/86/63/1129468663.db2.gz XAOUKRJFXSQCPO-NSHDSACASA-N -1 1 346.224 3.914 20 0 EHADMM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000092550963 1129551264 /nfs/dbraw/zinc/55/12/64/1129551264.db2.gz IXNJBHRTETUKQZ-UHFFFAOYSA-N -1 1 331.343 3.739 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H](C)C2CC2)cc1 ZINC000073786968 1129719391 /nfs/dbraw/zinc/71/93/91/1129719391.db2.gz MYFVTFDPJCAGQH-CYBMUJFWSA-N -1 1 344.484 3.563 20 0 EHADMM C[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CCCC1 ZINC000674134216 1130013703 /nfs/dbraw/zinc/01/37/03/1130013703.db2.gz NFLBMYBUPNXKQO-CQSZACIVSA-N -1 1 329.440 3.640 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC000171329179 1130046778 /nfs/dbraw/zinc/04/67/78/1130046778.db2.gz ZUIRWPXDMZLQAH-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM CC(C)(C)c1nsc([N-]C(=O)c2cnc(-c3ccncc3)s2)n1 ZINC000265913561 1130169905 /nfs/dbraw/zinc/16/99/05/1130169905.db2.gz UVHLKIDICXJJGX-UHFFFAOYSA-N -1 1 345.453 3.606 20 0 EHADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000727798099 1130595728 /nfs/dbraw/zinc/59/57/28/1130595728.db2.gz WMHAVWSRSOAUHV-UHFFFAOYSA-N -1 1 347.436 3.671 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2CC=CCC2)c([O-])c1 ZINC000740923076 1131558556 /nfs/dbraw/zinc/55/85/56/1131558556.db2.gz GAOWFWGNCGYPDY-CYBMUJFWSA-N -1 1 346.427 3.825 20 0 EHADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1F ZINC000743789598 1131979349 /nfs/dbraw/zinc/97/93/49/1131979349.db2.gz QSRVARQVOQFWPJ-VIFPVBQESA-N -1 1 325.742 3.857 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(F)cccc2Cl)c1 ZINC000744485000 1132109542 /nfs/dbraw/zinc/10/95/42/1132109542.db2.gz PYFGDMOMJTYYJF-UHFFFAOYSA-N -1 1 336.746 3.787 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)c2ccc(C)cc2)c1 ZINC000744958394 1132172626 /nfs/dbraw/zinc/17/26/26/1132172626.db2.gz SDQOLEUGOLBWAL-UHFFFAOYSA-N -1 1 340.419 3.967 20 0 EHADMM COc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c(Cl)c1 ZINC000744984380 1132175865 /nfs/dbraw/zinc/17/58/65/1132175865.db2.gz NILSXJWVFGJIIK-UHFFFAOYSA-N -1 1 348.782 3.656 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)Cc2ccccc2)c1 ZINC000745006600 1132178639 /nfs/dbraw/zinc/17/86/39/1132178639.db2.gz VUKVNXVFEOROBL-AWEZNQCLSA-N -1 1 326.392 3.559 20 0 EHADMM CS(=O)(=O)c1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1 ZINC001173943967 1132191537 /nfs/dbraw/zinc/19/15/37/1132191537.db2.gz OKUKMOIWSJXHDS-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM CCc1cc2c(COC(=O)[C@H]3CCC[C@H](C)C3)cc(=O)oc2cc1[O-] ZINC000745161374 1132208762 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O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1ccc([O-])cc1F ZINC000773567670 1132905294 /nfs/dbraw/zinc/90/52/94/1132905294.db2.gz MJCZWVPMKYGERB-UHFFFAOYSA-N -1 1 348.717 3.592 20 0 EHADMM COC(=O)c1c(Nc2c(F)cc(F)c([O-])c2F)sc2c1CCC2 ZINC001176663453 1132978914 /nfs/dbraw/zinc/97/89/14/1132978914.db2.gz FIBFGDIPZBEZGX-UHFFFAOYSA-N -1 1 343.326 3.890 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)cc2N2CCOCC2)c1F ZINC001176671450 1132979303 /nfs/dbraw/zinc/97/93/03/1132979303.db2.gz ZLAFOKKYJDXGHD-UHFFFAOYSA-N -1 1 342.292 3.529 20 0 EHADMM COC(=O)c1cnc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2c1 ZINC001176673827 1132980364 /nfs/dbraw/zinc/98/03/64/1132980364.db2.gz NQEZBWLOGQZRNM-UHFFFAOYSA-N -1 1 348.280 3.888 20 0 EHADMM Cc1cc(C)n(-c2ccc(COC(=O)c3ccc([O-])cc3F)cc2)n1 ZINC000773585376 1132986452 /nfs/dbraw/zinc/98/64/52/1132986452.db2.gz SUOCRGRQCYZUAF-UHFFFAOYSA-N -1 1 340.354 3.691 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C/SCc2ccco2)c1 ZINC000767387697 1132995547 /nfs/dbraw/zinc/99/55/47/1132995547.db2.gz CWDLPOVLGNQSPC-JXMROGBWSA-N -1 1 346.404 3.721 20 0 EHADMM COc1ccc(OCCCC(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC001176988993 1133017590 /nfs/dbraw/zinc/01/75/90/1133017590.db2.gz WBSQTKMXMGBBLT-UHFFFAOYSA-N -1 1 349.814 3.530 20 0 EHADMM CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000768248718 1133117284 /nfs/dbraw/zinc/11/72/84/1133117284.db2.gz KOGRFTLGEDLCKD-UHFFFAOYSA-N -1 1 340.358 3.623 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(Br)cnc1Cl ZINC000768256943 1133117556 /nfs/dbraw/zinc/11/75/56/1133117556.db2.gz BNJJCTLKZBXYAO-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM CSc1ccc(O)c(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001179659651 1133267532 /nfs/dbraw/zinc/26/75/32/1133267532.db2.gz DIALIXYWNRUASC-UHFFFAOYSA-N -1 1 327.764 3.865 20 0 EHADMM Cc1ccc(Cl)c(CC(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c1F ZINC001179976061 1133309068 /nfs/dbraw/zinc/30/90/68/1133309068.db2.gz PMSUTBQQDGZSBX-UHFFFAOYSA-N -1 1 333.750 3.551 20 0 EHADMM COCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000769526966 1133309712 /nfs/dbraw/zinc/30/97/12/1133309712.db2.gz ZWYLRUSHCGNXCV-UHFFFAOYSA-N -1 1 325.286 3.810 20 0 EHADMM Cc1ccc(-c2nc(CNC(=O)c3c([O-])cccc3Cl)co2)cc1 ZINC000769931334 1133368931 /nfs/dbraw/zinc/36/89/31/1133368931.db2.gz GDMHJYWQFOMJNR-UHFFFAOYSA-N -1 1 342.782 3.939 20 0 EHADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769932584 1133369022 /nfs/dbraw/zinc/36/90/22/1133369022.db2.gz XXFBDENGTQWLHV-GXTWGEPZSA-N -1 1 348.443 4.000 20 0 EHADMM [O-]c1ccc(-c2noc(C[C@@H](O)c3ccc(Cl)cc3)n2)c(F)c1 ZINC000771210347 1133527589 /nfs/dbraw/zinc/52/75/89/1133527589.db2.gz HZXMCNJULFMTLK-CQSZACIVSA-N -1 1 334.734 3.511 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(Cl)nc(Cl)c3)n2)c(F)c1 ZINC000771213761 1133528782 /nfs/dbraw/zinc/52/87/82/1133528782.db2.gz UZWNAZPWQXBWBC-UHFFFAOYSA-N -1 1 326.114 3.950 20 0 EHADMM Cc1ccccc1C(C)(C)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001182462245 1133680067 /nfs/dbraw/zinc/68/00/67/1133680067.db2.gz BBJAQOHIRNGXQR-UHFFFAOYSA-N -1 1 335.407 3.803 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)C1=CCCCC1 ZINC000774542522 1133732893 /nfs/dbraw/zinc/73/28/93/1133732893.db2.gz WBMDJCSFQKVAHM-UHFFFAOYSA-N -1 1 331.460 3.870 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1cncc(F)c1 ZINC001183669747 1133839639 /nfs/dbraw/zinc/83/96/39/1133839639.db2.gz KTFIOSQAQJJIQW-VIFPVBQESA-N -1 1 345.761 3.619 20 0 EHADMM CC(C)Oc1ccc(CSCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774683753 1133855533 /nfs/dbraw/zinc/85/55/33/1133855533.db2.gz KVPQKWGDTFESGZ-UHFFFAOYSA-N -1 1 335.391 3.776 20 0 EHADMM CCOc1ccc(C)cc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185124533 1134039370 /nfs/dbraw/zinc/03/93/70/1134039370.db2.gz WCHSRBAZRYABQR-UHFFFAOYSA-N -1 1 341.379 3.614 20 0 EHADMM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC001185262671 1134058798 /nfs/dbraw/zinc/05/87/98/1134058798.db2.gz BQZQXLJNOUSETR-ONGXEEELSA-N -1 1 337.272 3.636 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1C ZINC001185524115 1134102973 /nfs/dbraw/zinc/10/29/73/1134102973.db2.gz AEJZMMHDKITZDO-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM O=C(N[C@@H]1CCc2ccc(C(F)(F)F)cc21)c1ccc([O-])c(F)c1 ZINC001186234091 1134184308 /nfs/dbraw/zinc/18/43/08/1134184308.db2.gz PZEOJWORCRDLHF-CQSZACIVSA-N -1 1 339.288 3.967 20 0 EHADMM CCCC[C@@H](CC)COCCCNC(=O)c1ccc([O-])cc1F ZINC001186337734 1134203713 /nfs/dbraw/zinc/20/37/13/1134203713.db2.gz RRPYZYBJAQJSNF-CQSZACIVSA-N -1 1 325.424 3.884 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)c(C(C)=O)c2)c1 ZINC000789131599 1134222706 /nfs/dbraw/zinc/22/27/06/1134222706.db2.gz BTJGUTHLMCFMHQ-UHFFFAOYSA-N -1 1 340.375 3.505 20 0 EHADMM CCc1c(Cl)cc(Nc2ccc(C(=O)NC)nc2)c([O-])c1Cl ZINC001203641963 1134237877 /nfs/dbraw/zinc/23/78/77/1134237877.db2.gz PQIWMHDKCJZKMY-UHFFFAOYSA-N -1 1 340.210 3.760 20 0 EHADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2o1 ZINC000074937351 1134253539 /nfs/dbraw/zinc/25/35/39/1134253539.db2.gz IIGNXWGJOICMPW-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM CC(C)[C@@H]1C[C@@](NCc2cccnc2Cl)(C(=O)[O-])c2ccccc21 ZINC000789902320 1134347605 /nfs/dbraw/zinc/34/76/05/1134347605.db2.gz ADVGZLNIRJUZGL-KXBFYZLASA-N -1 1 344.842 3.948 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)nc1F)C1CCCCC1 ZINC001188345046 1134453653 /nfs/dbraw/zinc/45/36/53/1134453653.db2.gz FUGORASZXYPFFX-UHFFFAOYSA-N -1 1 348.871 3.759 20 0 EHADMM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1cccc(Cl)n1 ZINC000775195889 1134503905 /nfs/dbraw/zinc/50/39/05/1134503905.db2.gz AINLTJJULMDGKD-FPLPWBNLSA-N -1 1 329.208 3.801 20 0 EHADMM O=S(=O)([N-]c1ccc2cnoc2c1)c1ccc(F)c2ccccc21 ZINC001189386131 1134578334 /nfs/dbraw/zinc/57/83/34/1134578334.db2.gz VSDJQJIFHXKIFC-UHFFFAOYSA-N -1 1 342.351 3.921 20 0 EHADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC001189610948 1134606007 /nfs/dbraw/zinc/60/60/07/1134606007.db2.gz RJBVTIRKHKVJPH-UHFFFAOYSA-N -1 1 348.207 3.508 20 0 EHADMM C[C@H](CC[N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC001189721000 1134614474 /nfs/dbraw/zinc/61/44/74/1134614474.db2.gz ZMOGWQZVEHSARV-LLVKDONJSA-N -1 1 329.874 3.874 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001189948850 1134640950 /nfs/dbraw/zinc/64/09/50/1134640950.db2.gz PCBUUPUVJFQEDH-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM O=C(Nc1ccccc1[S-])c1nc2ccc(Br)cc2[nH]1 ZINC001151826822 1134642832 /nfs/dbraw/zinc/64/28/32/1134642832.db2.gz KQXGYYXEUIYXAI-UHFFFAOYSA-N -1 1 348.225 3.866 20 0 EHADMM O=c1cc(-c2ccccc2)nc(SCc2c(F)cncc2F)[n-]1 ZINC001190200982 1134670873 /nfs/dbraw/zinc/67/08/73/1134670873.db2.gz GJXIVQYMXAIJND-UHFFFAOYSA-N -1 1 331.347 3.815 20 0 EHADMM O=C(CCc1cnc2ccccc2c1)Nc1nc(Cl)ccc1[O-] ZINC000792473715 1134690086 /nfs/dbraw/zinc/69/00/86/1134690086.db2.gz CYDXIMMDLBIFSF-UHFFFAOYSA-N -1 1 327.771 3.560 20 0 EHADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(C2CC2)cc1 ZINC001190500964 1134707254 /nfs/dbraw/zinc/70/72/54/1134707254.db2.gz RMGCQRQWCZKFFE-UHFFFAOYSA-N -1 1 330.434 3.975 20 0 EHADMM CCOc1c(F)cc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cc1Cl ZINC001190738239 1134744347 /nfs/dbraw/zinc/74/43/47/1134744347.db2.gz 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/nfs/dbraw/zinc/03/99/27/1135039927.db2.gz RQMSLRKNVARHBA-UHFFFAOYSA-N -1 1 337.084 3.764 20 0 EHADMM Cc1cc(NC(=O)c2cc([O-])cc(F)c2F)n(-c2ccccc2F)n1 ZINC001192651290 1135039992 /nfs/dbraw/zinc/03/99/92/1135039992.db2.gz FHYFOXIFUNHEHQ-UHFFFAOYSA-N -1 1 347.296 3.556 20 0 EHADMM Cc1cc(CCNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1Cl ZINC000794356455 1135043186 /nfs/dbraw/zinc/04/31/86/1135043186.db2.gz FYYCDILLIFCOPU-UHFFFAOYSA-N -1 1 347.846 3.548 20 0 EHADMM COc1ccc(-n2cccc2)c(NC(=O)c2cc([O-])cc(F)c2F)c1 ZINC001192665719 1135047034 /nfs/dbraw/zinc/04/70/34/1135047034.db2.gz UWGNBKKMUPOHEJ-UHFFFAOYSA-N -1 1 344.317 3.722 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CCC2(C)C)c([O-])c1 ZINC000805324191 1135258325 /nfs/dbraw/zinc/25/83/25/1135258325.db2.gz ZFMQUOQGVZCUCZ-CQSZACIVSA-N -1 1 334.416 3.658 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ncc(C(F)(F)F)cc1F ZINC001194604747 1135291422 /nfs/dbraw/zinc/29/14/22/1135291422.db2.gz JKGARQFBTXQERQ-UHFFFAOYSA-N -1 1 348.321 3.657 20 0 EHADMM CC(C)(C)c1ccc(O)c(NC(=O)c2c[n-]c(C(F)(F)F)n2)c1 ZINC001194781772 1135313905 /nfs/dbraw/zinc/31/39/05/1135313905.db2.gz HOSKMYHNCMFMFC-UHFFFAOYSA-N -1 1 327.306 3.684 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)c1 ZINC001195159271 1135384763 /nfs/dbraw/zinc/38/47/63/1135384763.db2.gz MJVVEGGWPASLEE-UHFFFAOYSA-N -1 1 325.817 3.970 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cnc2ccc(C(F)(F)F)cc2c1 ZINC001195458362 1135426487 /nfs/dbraw/zinc/42/64/87/1135426487.db2.gz SBABDWANSIKRKQ-UHFFFAOYSA-N -1 1 343.330 3.697 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1c(Cl)cccc1C(F)(F)F ZINC001195486422 1135431750 /nfs/dbraw/zinc/43/17/50/1135431750.db2.gz BRMKDPPAIKCFLQ-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(CC3(c4ccccc4)CC3)no2)c1 ZINC000867143122 1135494001 /nfs/dbraw/zinc/49/40/01/1135494001.db2.gz LIQGKYFRTHGBSE-UHFFFAOYSA-N -1 1 349.390 3.675 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(C2CCCC2)CC1 ZINC000747410463 1135560138 /nfs/dbraw/zinc/56/01/38/1135560138.db2.gz VKSHDXFBDPXTBK-UHFFFAOYSA-N -1 1 331.460 3.656 20 0 EHADMM O=S(=O)(Cc1ccccn1)[N-]c1cccc2cccc(Cl)c21 ZINC001197835238 1135740188 /nfs/dbraw/zinc/74/01/88/1135740188.db2.gz QCNQAOLTEABYJB-UHFFFAOYSA-N -1 1 332.812 3.830 20 0 EHADMM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198152544 1135779980 /nfs/dbraw/zinc/77/99/80/1135779980.db2.gz AFGRNMNJWAUPEZ-UHFFFAOYSA-N -1 1 349.415 3.892 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000104424180 1135808402 /nfs/dbraw/zinc/80/84/02/1135808402.db2.gz USHBTBPAXZWFNZ-QGZVFWFLSA-N -1 1 344.484 3.551 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=S)Nc2c(C)cccc2C)c1 ZINC001198358239 1135810297 /nfs/dbraw/zinc/81/02/97/1135810297.db2.gz XVWDMJMYWBWPHS-UHFFFAOYSA-N -1 1 330.409 3.605 20 0 EHADMM Cc1nc(-c2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2)co1 ZINC000809597008 1135859763 /nfs/dbraw/zinc/85/97/63/1135859763.db2.gz GNWAEYCDNUFPGM-UHFFFAOYSA-N -1 1 330.290 3.886 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3nc(C)ccc23)c(C)c1 ZINC001198941499 1135868247 /nfs/dbraw/zinc/86/82/47/1135868247.db2.gz FJFQLBJPWXLJEN-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM COC(=O)c1ccccc1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810522620 1135969628 /nfs/dbraw/zinc/96/96/28/1135969628.db2.gz HHIWHWLLXNVMLF-UHFFFAOYSA-N -1 1 335.768 3.889 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F)C1CCC1 ZINC001201285493 1136000960 /nfs/dbraw/zinc/00/09/60/1136000960.db2.gz HBYGNQAASDSHTL-ZETCQYMHSA-N -1 1 326.220 3.599 20 0 EHADMM O=C(Nc1ccc(F)cc1)Nc1cccc([O-])c1Br ZINC001202358239 1136133244 /nfs/dbraw/zinc/13/32/44/1136133244.db2.gz IHVVGRJTYXFKPW-UHFFFAOYSA-N -1 1 325.137 3.938 20 0 EHADMM COC1([C@@H](C)Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CCC1 ZINC000850471542 1136265754 /nfs/dbraw/zinc/26/57/54/1136265754.db2.gz BYUIXTAVJFBJQH-GFCCVEGCSA-N -1 1 344.377 3.543 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000747859607 1136345773 /nfs/dbraw/zinc/34/57/73/1136345773.db2.gz VBAQSYLTTYLKEX-KHPPLWFESA-N -1 1 338.816 3.546 20 0 EHADMM Cc1ccc(/C=C\S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1 ZINC000814285878 1136433938 /nfs/dbraw/zinc/43/39/38/1136433938.db2.gz QXUZLARHLRYMKJ-YUQCYMQKSA-N -1 1 337.391 3.892 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccccc1NC(=O)C1CC1 ZINC000815852498 1136645127 /nfs/dbraw/zinc/64/51/27/1136645127.db2.gz XMYFOIYLBUBPOV-UHFFFAOYSA-N -1 1 330.771 3.646 20 0 EHADMM O=C(Nc1nc2c(s1)CCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC001135684063 1136751782 /nfs/dbraw/zinc/75/17/82/1136751782.db2.gz STMRCWJEAFTPGO-UHFFFAOYSA-N -1 1 328.315 3.609 20 0 EHADMM C[C@H](NC(=O)c1ncccc1[O-])c1cc(F)c(Cl)cc1Cl ZINC001135828350 1136783465 /nfs/dbraw/zinc/78/34/65/1136783465.db2.gz CHNPMSBMGPGXOS-ZETCQYMHSA-N -1 1 329.158 3.724 20 0 EHADMM CSc1ccccc1[N-]C(=O)c1coc(Sc2ncccn2)n1 ZINC001135999454 1136837253 /nfs/dbraw/zinc/83/72/53/1136837253.db2.gz MFLDROABZOKPHW-UHFFFAOYSA-N -1 1 344.421 3.590 20 0 EHADMM CC[C@](C)([N-]C(=O)C(F)(F)c1ccccc1OC)C(F)(F)F ZINC000857589271 1136887165 /nfs/dbraw/zinc/88/71/65/1136887165.db2.gz BJDSOFXVPPBEJO-LBPRGKRZSA-N -1 1 325.277 3.634 20 0 EHADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[O-])[C@@H]1C ZINC000110324939 1136961975 /nfs/dbraw/zinc/96/19/75/1136961975.db2.gz KVPUTZIOYDQZRN-GIPNMCIBSA-N -1 1 326.234 3.709 20 0 EHADMM O=C([N-][C@@H]1CCCC(F)(F)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC000821048797 1137014201 /nfs/dbraw/zinc/01/42/01/1137014201.db2.gz DECXICJBNJKKEC-LLVKDONJSA-N -1 1 325.252 3.751 20 0 EHADMM S=c1nc(-c2ccccn2)[n-]n1CN(Cc1cccs1)C1CC1 ZINC000117319169 1137050265 /nfs/dbraw/zinc/05/02/65/1137050265.db2.gz WZCXXDFMUULKPV-UHFFFAOYSA-N -1 1 343.481 3.686 20 0 EHADMM Cc1cc(C(F)(F)C(=O)[N-][C@H](C)c2cncc(F)c2)cnc1Cl ZINC000822359779 1137058140 /nfs/dbraw/zinc/05/81/40/1137058140.db2.gz JJEKNIVJOFEVKB-SECBINFHSA-N -1 1 343.736 3.547 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@@H](C4CCC4)C3)c2)o1 ZINC000822871128 1137078279 /nfs/dbraw/zinc/07/82/79/1137078279.db2.gz FRSKUCQNQQRAAT-OAHLLOKOSA-N -1 1 339.391 3.727 20 0 EHADMM CC(C)(C)c1ccccc1OCCNC(=O)c1ccc([O-])cc1F ZINC001136725695 1137101226 /nfs/dbraw/zinc/10/12/26/1137101226.db2.gz XNOYADSKDIJDJJ-UHFFFAOYSA-N -1 1 331.387 3.638 20 0 EHADMM O=C(NCC1Cc2ccccc2C1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001136789215 1137117000 /nfs/dbraw/zinc/11/70/00/1137117000.db2.gz MLTWBTSNURTYRQ-UHFFFAOYSA-N -1 1 335.325 3.556 20 0 EHADMM CCO[C@@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)C1CC1 ZINC000861677173 1137118076 /nfs/dbraw/zinc/11/80/76/1137118076.db2.gz NVGSDCKVMBRNCJ-GFCCVEGCSA-N -1 1 348.624 3.562 20 0 EHADMM C/C=C\COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000862354154 1137139865 /nfs/dbraw/zinc/13/98/65/1137139865.db2.gz MMBZFRPGYYQYBI-ARJAWSKDSA-N -1 1 345.420 3.529 20 0 EHADMM CCCC[C@H](COC)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011700 1137160025 /nfs/dbraw/zinc/16/00/25/1137160025.db2.gz UCZVYTQUGYTOHY-CQSZACIVSA-N -1 1 346.393 3.791 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1 ZINC001137002234 1137169679 /nfs/dbraw/zinc/16/96/79/1137169679.db2.gz IWVNXQGHNXUVNG-QAPCUYQASA-N -1 1 337.419 3.779 20 0 EHADMM COc1ccc(CNCc2cccc(CCC(=O)[O-])c2)c(Cl)c1 ZINC000864518343 1137231611 /nfs/dbraw/zinc/23/16/11/1137231611.db2.gz ZPNNDBLJKPHXCO-UHFFFAOYSA-N -1 1 333.815 3.656 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(Sc3ccncc3)CC2)cc1F ZINC001144658422 1137327120 /nfs/dbraw/zinc/32/71/20/1137327120.db2.gz VQRZLTWTSOMWKY-UHFFFAOYSA-N -1 1 336.407 3.822 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1 ZINC000121099674 1137360852 /nfs/dbraw/zinc/36/08/52/1137360852.db2.gz NKCPJZLPCQWVEV-UHFFFAOYSA-N -1 1 345.449 3.599 20 0 EHADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001145023134 1137380535 /nfs/dbraw/zinc/38/05/35/1137380535.db2.gz INXFILAIAZKUFK-RBUKOAKNSA-N -1 1 333.387 3.845 20 0 EHADMM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)C(F)(F)F ZINC000847052187 1137384200 /nfs/dbraw/zinc/38/42/00/1137384200.db2.gz WWQDCXQTNOXBOW-VIFPVBQESA-N -1 1 325.277 3.633 20 0 EHADMM CCOc1cc(C(=O)Nc2ccccc2NC(C)=O)cc(Cl)c1[O-] ZINC001147846083 1137413680 /nfs/dbraw/zinc/41/36/80/1137413680.db2.gz QTUGAVWQILNIOQ-UHFFFAOYSA-N -1 1 348.786 3.655 20 0 EHADMM O=C(N[C@H]1CCOc2c(F)cccc21)c1ccc2ccccc2c1[O-] ZINC001148022027 1137416707 /nfs/dbraw/zinc/41/67/07/1137416707.db2.gz WJPNZKAKXBEKKF-KRWDZBQOSA-N -1 1 337.350 3.938 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3C[C@H](C)c4ccccc43)cc2)[n-]1 ZINC001148335724 1137422740 /nfs/dbraw/zinc/42/27/40/1137422740.db2.gz HJSATNZZYDUQMH-DJJJIMSYSA-N -1 1 347.418 3.778 20 0 EHADMM NC(=S)c1cccc(NC(=O)c2cccc(-c3ccccc3)c2[O-])c1 ZINC001148869205 1137436597 /nfs/dbraw/zinc/43/65/97/1137436597.db2.gz FTZFNLVXCXMXEO-UHFFFAOYSA-N -1 1 348.427 3.946 20 0 EHADMM N=C(N)N(C(=O)c1cccc(-c2ccccc2)c1[O-])c1ccccc1F ZINC001148870561 1137436744 /nfs/dbraw/zinc/43/67/44/1137436744.db2.gz ZVNIENSQDYHPOL-UHFFFAOYSA-N -1 1 349.365 3.739 20 0 EHADMM CO[C@@]1(C)CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000282792423 1137451785 /nfs/dbraw/zinc/45/17/85/1137451785.db2.gz MECUXBPTOWPWQH-SFHVURJKSA-N -1 1 348.830 3.625 20 0 EHADMM CCN(C(=O)c1cccc([O-])c1F)c1ccc(Br)cc1 ZINC001441087772 1137467867 /nfs/dbraw/zinc/46/78/67/1137467867.db2.gz MERZRDHCKZPYEI-UHFFFAOYSA-N -1 1 338.176 3.961 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC2(CCSCC2)CC1 ZINC000870250426 1137483585 /nfs/dbraw/zinc/48/35/85/1137483585.db2.gz LPYOYONMUOYUNK-UHFFFAOYSA-N -1 1 325.861 3.795 20 0 EHADMM CCc1ccc(C(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)c([O-])c1 ZINC001171621733 1137501025 /nfs/dbraw/zinc/50/10/25/1137501025.db2.gz AFYYVIKRPANLKA-UHFFFAOYSA-N -1 1 337.297 3.952 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@](F)(c3ccccc3)C2)c1 ZINC001171943527 1137521963 /nfs/dbraw/zinc/52/19/63/1137521963.db2.gz AZWWSCXHJNEQDM-HXUWFJFHSA-N -1 1 341.382 3.614 20 0 EHADMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1cnc([C@H]2CCCO2)s1 ZINC000871268364 1137530951 /nfs/dbraw/zinc/53/09/51/1137530951.db2.gz JZPCMSHVYLJJQK-MRVPVSSYSA-N -1 1 346.305 3.803 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)[nH]n1 ZINC000872003380 1137564270 /nfs/dbraw/zinc/56/42/70/1137564270.db2.gz OZECYQTZGRGIBB-UHFFFAOYSA-N -1 1 347.362 3.585 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1CCC2(CC2(F)F)CC1 ZINC000873069504 1137589388 /nfs/dbraw/zinc/58/93/88/1137589388.db2.gz HHRNCXYOHIZEIJ-UHFFFAOYSA-N -1 1 344.789 3.813 20 0 EHADMM Cc1csc([C@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)n1 ZINC000874491422 1137615906 /nfs/dbraw/zinc/61/59/06/1137615906.db2.gz WTOOKPBAQAGCMK-HNNXBMFYSA-N -1 1 338.432 3.940 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000876395227 1137650758 /nfs/dbraw/zinc/65/07/58/1137650758.db2.gz XSEUIIREWCTQQP-OAHLLOKOSA-N -1 1 330.815 3.745 20 0 EHADMM Cc1ccc(N(Cc2nc3c(c(=O)[n-]2)COCC3)CC(C)C)c(C)c1 ZINC000878801068 1137728525 /nfs/dbraw/zinc/72/85/25/1137728525.db2.gz DYALRFNLHKRMBT-UHFFFAOYSA-N -1 1 341.455 3.534 20 0 EHADMM O=S(=O)([N-][C@H]1c2ccccc2CC[C@@H]1F)c1ccc(C(F)F)o1 ZINC000882808148 1137834773 /nfs/dbraw/zinc/83/47/73/1137834773.db2.gz LNNYJJRGFZLHAN-FZMZJTMJSA-N -1 1 345.342 3.521 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc(SC(F)(F)F)cc1 ZINC000134602830 1137960323 /nfs/dbraw/zinc/96/03/23/1137960323.db2.gz PXBPPKUIMMELFX-UHFFFAOYSA-N -1 1 349.355 3.805 20 0 EHADMM O=c1[n-]c(CN2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000348327925 1137963915 /nfs/dbraw/zinc/96/39/15/1137963915.db2.gz ULJUTBGNHKJYAK-CYBMUJFWSA-N -1 1 340.349 3.646 20 0 EHADMM COc1cc(C(=O)NCc2ccnc3ccccc23)cc(Cl)c1[O-] ZINC000135164191 1137964359 /nfs/dbraw/zinc/96/43/59/1137964359.db2.gz SWVXYGMJOQAXIZ-UHFFFAOYSA-N -1 1 342.782 3.532 20 0 EHADMM CCc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)cnn1CC(C)C ZINC000885676241 1138017957 /nfs/dbraw/zinc/01/79/57/1138017957.db2.gz KVJFJWJCVAYKQK-UHFFFAOYSA-N -1 1 339.798 3.852 20 0 EHADMM O=C(C[C@H]1CCC2(CCC2)CO1)Nc1cc(F)c([O-])cc1Cl ZINC000885680797 1138018211 /nfs/dbraw/zinc/01/82/11/1138018211.db2.gz ZJKZDQUNLAQONC-SNVBAGLBSA-N -1 1 327.783 3.863 20 0 EHADMM O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)Nc1cc(F)c([O-])cc1Cl ZINC000885682559 1138018396 /nfs/dbraw/zinc/01/83/96/1138018396.db2.gz RTOVSJPRNJTINE-UPONEAKYSA-N -1 1 341.688 3.623 20 0 EHADMM Cc1cc(Cl)ccc1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000137015675 1138045264 /nfs/dbraw/zinc/04/52/64/1138045264.db2.gz UZZDMBLSVZINHP-UHFFFAOYSA-N -1 1 333.844 3.578 20 0 EHADMM CCCCc1ccc(CC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066640081 1138076764 /nfs/dbraw/zinc/07/67/64/1138076764.db2.gz QDJLIEVEADDHJR-UHFFFAOYSA-N -1 1 346.500 3.723 20 0 EHADMM CC(C)[C@@H](C(=O)NCCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000080173412 1138161231 /nfs/dbraw/zinc/16/12/31/1138161231.db2.gz ZEUODBYAKOVZSG-MRXNPFEDSA-N -1 1 346.500 3.620 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccccc1)CC1CCOCC1 ZINC000094129223 1138243865 /nfs/dbraw/zinc/24/38/65/1138243865.db2.gz DFKYHTCLFBLCJK-UHFFFAOYSA-N -1 1 343.398 3.600 20 0 EHADMM Cc1c(=O)[n-]c(SC[C@@H]2CCCC[C@H]2O)nc1-c1ccccc1 ZINC000334025964 1138362918 /nfs/dbraw/zinc/36/29/18/1138362918.db2.gz HGVIXLRVLDPLFU-LSDHHAIUSA-N -1 1 330.453 3.801 20 0 EHADMM COc1cc(C(=O)NC[C@H]2CCCC(F)(F)C2)cc(Cl)c1[O-] ZINC000337648850 1138633186 /nfs/dbraw/zinc/63/31/86/1138633186.db2.gz KEMPXEDNGDTLFC-VIFPVBQESA-N -1 1 333.762 3.610 20 0 EHADMM CCC[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000264800772 1138643540 /nfs/dbraw/zinc/64/35/40/1138643540.db2.gz AHKKKHNWKWMBFB-CQSZACIVSA-N -1 1 346.452 3.862 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](c2ccsc2)O1 ZINC000150866876 1138987611 /nfs/dbraw/zinc/98/76/11/1138987611.db2.gz RYCWLKYCLIZKTD-MEBBXXQBSA-N -1 1 337.828 3.709 20 0 EHADMM C[C@H](OCCCNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000145159642 1139839069 /nfs/dbraw/zinc/83/90/69/1139839069.db2.gz QYFHJZGTTGTNIB-ZDUSSCGKSA-N -1 1 333.815 3.943 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](CSc2ccccc2)C1 ZINC000181243069 1139894621 /nfs/dbraw/zinc/89/46/21/1139894621.db2.gz AHCNIBZQBDVPRK-CYBMUJFWSA-N -1 1 331.412 3.786 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)s1 ZINC000185341780 1140145908 /nfs/dbraw/zinc/14/59/08/1140145908.db2.gz NZMKYTMWJMHEDN-UHFFFAOYSA-N -1 1 346.387 3.882 20 0 EHADMM CCOc1cc(C(=O)Nc2nc(C)c(C)s2)cc(Cl)c1[O-] ZINC000186636214 1140214503 /nfs/dbraw/zinc/21/45/03/1140214503.db2.gz HJSHGISJKJLDFX-UHFFFAOYSA-N -1 1 326.805 3.770 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](C)CCSCC)cc(Cl)c1[O-] ZINC000186841463 1140224934 /nfs/dbraw/zinc/22/49/34/1140224934.db2.gz JDGPEZOUIGXPGU-JTQLQIEISA-N -1 1 331.865 3.706 20 0 EHADMM CCOc1cc(C(=O)N[C@H](C)Cc2ccc(O)cc2)cc(Cl)c1[O-] ZINC000186879524 1140226446 /nfs/dbraw/zinc/22/64/46/1140226446.db2.gz HRMJKEKNWCHVTJ-LLVKDONJSA-N -1 1 349.814 3.511 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC([C@@H]2CCCO2)CC1 ZINC000187499061 1140257779 /nfs/dbraw/zinc/25/77/79/1140257779.db2.gz GTQDGOXRMUFORA-IBGZPJMESA-N -1 1 325.408 3.577 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2nnc(-c3ccccc3)s2)[n-]1 ZINC000191505446 1140468212 /nfs/dbraw/zinc/46/82/12/1140468212.db2.gz AMEFGHVSGLWACJ-UHFFFAOYSA-N -1 1 342.449 3.870 20 0 EHADMM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cncc([O-])c1 ZINC000270101998 1141179667 /nfs/dbraw/zinc/17/96/67/1141179667.db2.gz OUSODIIVZDFRKR-UHFFFAOYSA-N -1 1 343.383 3.695 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000270430548 1141222337 /nfs/dbraw/zinc/22/23/37/1141222337.db2.gz IWMMNHZBKMCZLL-UHFFFAOYSA-N -1 1 331.460 3.607 20 0 EHADMM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1ccc(F)cc1 ZINC000067659728 215177320 /nfs/dbraw/zinc/17/73/20/215177320.db2.gz JHTSVXHSBIDSLQ-UHFFFAOYSA-N -1 1 348.321 3.601 20 0 EHADMM Cc1ccc(Sc2c3ccccc3nnc2-c2nn[n-]n2)c(C)c1 ZINC000737369455 598954545 /nfs/dbraw/zinc/95/45/45/598954545.db2.gz UIKOEADOGJNNGB-UHFFFAOYSA-N -1 1 334.408 3.578 20 0 EHADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC2(C1)CCCCC2 ZINC000823792231 599051575 /nfs/dbraw/zinc/05/15/75/599051575.db2.gz QCWXDSLULHCUEO-UHFFFAOYSA-N -1 1 334.427 3.576 20 0 EHADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC2(C1)CCCCC2 ZINC000823792231 599051578 /nfs/dbraw/zinc/05/15/78/599051578.db2.gz QCWXDSLULHCUEO-UHFFFAOYSA-N -1 1 334.427 3.576 20 0 EHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1nc2ccc(Cl)cc2n1C ZINC000820147698 598191966 /nfs/dbraw/zinc/19/19/66/598191966.db2.gz AHMDNKFXSRQOOX-NSHDSACASA-N -1 1 343.814 3.776 20 0 EHADMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1C ZINC000737322334 598577310 /nfs/dbraw/zinc/57/73/10/598577310.db2.gz YKUFGLGXAVEWGW-LLVKDONJSA-N -1 1 328.807 3.705 20 0 EHADMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1C ZINC000737322334 598577312 /nfs/dbraw/zinc/57/73/12/598577312.db2.gz YKUFGLGXAVEWGW-LLVKDONJSA-N -1 1 328.807 3.705 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000320977941 599754446 /nfs/dbraw/zinc/75/44/46/599754446.db2.gz KZJALTOVUVUJTR-HNNXBMFYSA-N -1 1 334.803 3.824 20 0 EHADMM COc1ccc2cc(CN(C)Cc3cc(C(=O)[O-])co3)ccc2c1 ZINC000738078490 599846096 /nfs/dbraw/zinc/84/60/96/599846096.db2.gz HVAWHOONWIWTQA-UHFFFAOYSA-N -1 1 325.364 3.772 20 0 EHADMM O=C([O-])CCN(Cc1ccccc1)Cn1ccc(-c2ccsc2)n1 ZINC000739723179 600074855 /nfs/dbraw/zinc/07/48/55/600074855.db2.gz HHZILQKEWBDOEB-UHFFFAOYSA-N -1 1 341.436 3.546 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1cccc(C(=O)[O-])c1 ZINC000736821306 600332733 /nfs/dbraw/zinc/33/27/33/600332733.db2.gz KQUDTRSJCVOEEM-VCBZYWHSSA-N -1 1 325.408 3.735 20 0 EHADMM COc1ccc(OC)c([C@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738047289 600418400 /nfs/dbraw/zinc/41/84/00/600418400.db2.gz CIUDVWIITJAMOU-GTNSWQLSSA-N -1 1 349.814 3.834 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1OC(F)F)c1cccc(Cl)c1 ZINC000739506249 600420524 /nfs/dbraw/zinc/42/05/24/600420524.db2.gz WWWSFIRUTVJLNL-AWEZNQCLSA-N -1 1 341.741 3.857 20 0 EHADMM Cc1oc(CN2CCS[C@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000738978844 600490921 /nfs/dbraw/zinc/49/09/21/600490921.db2.gz KQDHPHRCYDVYGK-DYVFJYSZSA-N -1 1 331.437 3.965 20 0 EHADMM O=C([O-])c1cccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)c1 ZINC000833326987 600699142 /nfs/dbraw/zinc/69/91/42/600699142.db2.gz YXEXDCSYKJQCJZ-UHFFFAOYSA-N -1 1 338.348 3.553 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000426782825 600733999 /nfs/dbraw/zinc/73/39/99/600733999.db2.gz HTMZDYNHKIRHGO-AWEZNQCLSA-N -1 1 327.277 3.760 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(F)cc1C(F)(F)F)c1ccccc1F ZINC000833164496 600738506 /nfs/dbraw/zinc/73/85/06/600738506.db2.gz ADUXLTIMWZCVQA-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM O=C([O-])CN(Cc1sc2ccccc2c1Cl)C1CCOCC1 ZINC000578870624 600853403 /nfs/dbraw/zinc/85/34/03/600853403.db2.gz AQDHXGLURGUEFM-UHFFFAOYSA-N -1 1 339.844 3.620 20 0 EHADMM O=C([O-])C1CCC(NC(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000833131766 601210770 /nfs/dbraw/zinc/21/07/70/601210770.db2.gz FGDZKHWDGLALGA-UHFFFAOYSA-N -1 1 347.798 3.572 20 0 EHADMM COc1ccc(OC)c([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])c1 ZINC000565101332 601805020 /nfs/dbraw/zinc/80/50/20/601805020.db2.gz GKTAKYSEMHOKTC-HNNXBMFYSA-N -1 1 347.436 3.801 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2ccsc2C(=O)[O-])c(OC)c1 ZINC000576831015 601805275 /nfs/dbraw/zinc/80/52/75/601805275.db2.gz ZVEDJTNFUXYRAU-OAHLLOKOSA-N -1 1 347.436 3.801 20 0 EHADMM CN(Cc1cccc(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830845214 601898087 /nfs/dbraw/zinc/89/80/87/601898087.db2.gz RLSRULPDDCXPKV-HNNXBMFYSA-N -1 1 327.277 3.501 20 0 EHADMM COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)c1 ZINC000577737597 601938146 /nfs/dbraw/zinc/93/81/46/601938146.db2.gz ZBOKTHOSCZLESO-HNNXBMFYSA-N -1 1 347.436 3.801 20 0 EHADMM C[C@H](N[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)c1ccccn1 ZINC000832840268 601973031 /nfs/dbraw/zinc/97/30/31/601973031.db2.gz ZLULFDOVRJDTIA-LKFCYVNXSA-N -1 1 325.195 3.865 20 0 EHADMM O=C([O-])[C@@H](N[C@@H]1COc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000833167041 601975210 /nfs/dbraw/zinc/97/52/10/601975210.db2.gz LFBHLIMAVFTZML-HIFRSBDPSA-N -1 1 338.190 3.842 20 0 EHADMM C[C@H](NCC1(NC(=O)[O-])CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000825484184 603640721 /nfs/dbraw/zinc/64/07/21/603640721.db2.gz FRRIDIFFNNTSCB-AWEZNQCLSA-N -1 1 343.427 3.963 20 0 EHADMM O=C([O-])N1CCc2cccc(CNCc3ccccc3OC(F)F)c21 ZINC000832086245 603850476 /nfs/dbraw/zinc/85/04/76/603850476.db2.gz CKZFMXZNLPNKJV-UHFFFAOYSA-N -1 1 348.349 3.618 20 0 EHADMM CC(C)(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000833447310 604507085 /nfs/dbraw/zinc/50/70/85/604507085.db2.gz QZCVAANEZXBZFX-MRXNPFEDSA-N -1 1 348.830 3.828 20 0 EHADMM CC(C)Oc1cccc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000833507330 604620968 /nfs/dbraw/zinc/62/09/68/604620968.db2.gz FQRSTKOZIDJESC-UHFFFAOYSA-N -1 1 331.387 3.943 20 0 EHADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H]2c2nc3ccccc3s2)O1 ZINC000833585450 604824118 /nfs/dbraw/zinc/82/41/18/604824118.db2.gz SMFHHVODYLBQGV-SWLSCSKDSA-N -1 1 344.436 3.581 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000833680642 605071078 /nfs/dbraw/zinc/07/10/78/605071078.db2.gz LLRHWOGAGQWOSY-LBPRGKRZSA-N -1 1 347.411 3.717 20 0 EHADMM CC(C)(NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000833460845 605142363 /nfs/dbraw/zinc/14/23/63/605142363.db2.gz KWYGYVRTEMVBLZ-UHFFFAOYSA-N -1 1 346.814 3.502 20 0 EHADMM O=C([O-])Nc1cccc(CN(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000834269330 605594400 /nfs/dbraw/zinc/59/44/00/605594400.db2.gz SXKQQINJKBFNND-QGZVFWFLSA-N -1 1 330.384 3.551 20 0 EHADMM O=C([O-])N1CCC[C@@H](N[C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000834098752 605627337 /nfs/dbraw/zinc/62/73/37/605627337.db2.gz NACXLNUHBXZFCX-NVXWUHKLSA-N -1 1 345.830 3.556 20 0 EHADMM C[C@@H](CCN[C@@H](c1cc2ccccc2o1)c1cccnc1)NC(=O)[O-] ZINC000833806516 605686244 /nfs/dbraw/zinc/68/62/44/605686244.db2.gz XVFYFWZVTDNEDC-SCLBCKFNSA-N -1 1 339.395 3.553 20 0 EHADMM O=C([O-])N[C@@H]1C[C@@H](NC2(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000834156641 605806779 /nfs/dbraw/zinc/80/67/79/605806779.db2.gz CCSRJFFUDMOARM-IAGOWNOFSA-N -1 1 326.371 3.858 20 0 EHADMM COc1ccc2nc(C=Cc3ccc(-c4nn[n-]n4)s3)sc2c1 ZINC000821854694 606388736 /nfs/dbraw/zinc/38/87/36/606388736.db2.gz RUVDXVNPHZHORZ-QPJJXVBHSA-N -1 1 341.421 3.717 20 0 EHADMM CC[C@@H](C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820876131 606412853 /nfs/dbraw/zinc/41/28/53/606412853.db2.gz MHCCFBGXYKYHAU-LLVKDONJSA-N -1 1 329.429 3.718 20 0 EHADMM CCC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821020822 606440027 /nfs/dbraw/zinc/44/00/27/606440027.db2.gz IKJBJCXVPXICAT-CYBMUJFWSA-N -1 1 328.807 3.868 20 0 EHADMM CCC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821020822 606440028 /nfs/dbraw/zinc/44/00/28/606440028.db2.gz IKJBJCXVPXICAT-CYBMUJFWSA-N -1 1 328.807 3.868 20 0 EHADMM Cc1ccc([C@H]2CCCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000822233115 606469140 /nfs/dbraw/zinc/46/91/40/606469140.db2.gz IHYWNQBHGXNFND-GFCCVEGCSA-N -1 1 344.806 3.548 20 0 EHADMM Cc1ccc([C@H]2CCCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000822233115 606469141 /nfs/dbraw/zinc/46/91/41/606469141.db2.gz IHYWNQBHGXNFND-GFCCVEGCSA-N -1 1 344.806 3.548 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2cccs2)c(-c2nnn[n-]2)s1 ZINC000824129963 607929193 /nfs/dbraw/zinc/92/91/93/607929193.db2.gz FSUSJLUPTFYIKS-UHFFFAOYSA-N -1 1 333.442 3.540 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2cccs2)c(-c2nn[n-]n2)s1 ZINC000824129963 607929194 /nfs/dbraw/zinc/92/91/94/607929194.db2.gz FSUSJLUPTFYIKS-UHFFFAOYSA-N -1 1 333.442 3.540 20 0 EHADMM Cc1ccccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826305542 607930707 /nfs/dbraw/zinc/93/07/07/607930707.db2.gz ALPNQEWYTOQASL-UHFFFAOYSA-N -1 1 341.440 3.786 20 0 EHADMM Cc1ccccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826305542 607930708 /nfs/dbraw/zinc/93/07/08/607930708.db2.gz ALPNQEWYTOQASL-UHFFFAOYSA-N -1 1 341.440 3.786 20 0 EHADMM C/C=C\c1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c(OC)c1 ZINC000825029457 608170425 /nfs/dbraw/zinc/17/04/25/608170425.db2.gz SUPVWLXTNVKVCB-ARJAWSKDSA-N -1 1 349.803 3.811 20 0 EHADMM O=C([O-])CCC1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000322661177 970916157 /nfs/dbraw/zinc/91/61/57/970916157.db2.gz BRNDKHDBXUSYHK-UHFFFAOYSA-N -1 1 333.325 3.921 20 0 EHADMM O=C([O-])c1cc(NC(=O)c2cc(=O)c3ccccc3[nH]2)ccc1Cl ZINC000325022184 971176417 /nfs/dbraw/zinc/17/64/17/971176417.db2.gz GGDDFZMNCUTLRT-UHFFFAOYSA-N -1 1 342.738 3.544 20 0 EHADMM CC(C)(C)c1ccc2c(c1)CCCN2Cc1cccc(-c2nnn[n-]2)n1 ZINC001573881697 950753459 /nfs/dbraw/zinc/75/34/59/950753459.db2.gz FMQOKSIDJHXSAV-UHFFFAOYSA-N -1 1 348.454 3.512 20 0 EHADMM CC(C)(C)c1ccc2c(c1)CCCN2Cc1cccc(-c2nn[n-]n2)n1 ZINC001573881697 950753469 /nfs/dbraw/zinc/75/34/69/950753469.db2.gz FMQOKSIDJHXSAV-UHFFFAOYSA-N -1 1 348.454 3.512 20 0 EHADMM CC1(C)CC(CNC(=O)c2csc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC001575638989 950849724 /nfs/dbraw/zinc/84/97/24/950849724.db2.gz LPYGBTCNXDNJGJ-UHFFFAOYSA-N -1 1 347.488 3.511 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC001589280287 953495870 /nfs/dbraw/zinc/49/58/70/953495870.db2.gz CBTUTOJVABOPSC-SCZZXKLOSA-N -1 1 337.288 3.526 20 0 EHADMM Cn1nc(C(=O)[O-])cc1CN1CCC(c2cccc3ccccc32)CC1 ZINC000635301771 953877185 /nfs/dbraw/zinc/87/71/85/953877185.db2.gz PYHYMSWCDCXUBI-UHFFFAOYSA-N -1 1 349.434 3.651 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1 ZINC000460821467 1032060619 /nfs/dbraw/zinc/06/06/19/1032060619.db2.gz WKXUKLUKMQBEDW-UHFFFAOYSA-N -1 1 344.436 3.768 20 0 EHADMM O=C([O-])[C@H](C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1)C1CC1 ZINC001594838221 954046855 /nfs/dbraw/zinc/04/68/55/954046855.db2.gz WBGKPKBUPANRGT-INIZCTEOSA-N -1 1 341.411 3.660 20 0 EHADMM C[C@@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C[C@H]1C(=O)[O-] ZINC001589354670 954116349 /nfs/dbraw/zinc/11/63/49/954116349.db2.gz BXJSLBQZUODHAY-BXUZGUMPSA-N -1 1 334.803 3.538 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cccc(Br)c1 ZINC000051361539 957505799 /nfs/dbraw/zinc/50/57/99/957505799.db2.gz VEHQBZQTXWDEDF-UHFFFAOYSA-N -1 1 338.201 3.681 20 0 EHADMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Cl)cc1Br ZINC000126818737 958603765 /nfs/dbraw/zinc/60/37/65/958603765.db2.gz UFMXJZBBGMXHDQ-NSHDSACASA-N -1 1 332.625 3.542 20 0 EHADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594386229 958673253 /nfs/dbraw/zinc/67/32/53/958673253.db2.gz SMYGZHACQIYKOE-UHFFFAOYSA-N -1 1 349.390 3.573 20 0 EHADMM O=C([O-])c1ccc(CNCc2sccc2Br)cc1F ZINC000236471937 960652565 /nfs/dbraw/zinc/65/25/65/960652565.db2.gz KNXBUASEOHYWGR-UHFFFAOYSA-N -1 1 344.205 3.638 20 0 EHADMM O=C([O-])c1sccc1CN1CCC(C(=O)c2cccs2)CC1 ZINC001326546875 961108406 /nfs/dbraw/zinc/10/84/06/961108406.db2.gz HTOFUOMCOXVRHK-UHFFFAOYSA-N -1 1 335.450 3.603 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccccc2OC2CCCC2)cc1 ZINC000262688127 961808878 /nfs/dbraw/zinc/80/88/78/961808878.db2.gz FDAUWTVNXYDOKN-UHFFFAOYSA-N -1 1 325.408 3.996 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC000263417603 962588323 /nfs/dbraw/zinc/58/83/23/962588323.db2.gz NVZAMHSETBSGFN-UHFFFAOYSA-N -1 1 345.826 3.522 20 0 EHADMM C[C@@H]1CN(Cc2c(Cl)cc(Cl)cc2N(C)C)CC[C@H]1C(=O)[O-] ZINC000625970568 968513134 /nfs/dbraw/zinc/51/31/34/968513134.db2.gz URRJLQWZOTUBQB-ZYHUDNBSSA-N -1 1 345.270 3.602 20 0 EHADMM Cc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000395221384 972782745 /nfs/dbraw/zinc/78/27/45/972782745.db2.gz MPPSYZLPCYWCMQ-CQSZACIVSA-N -1 1 326.234 3.587 20 0 EHADMM Cc1cccc(CN(C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1 ZINC001605335296 973215433 /nfs/dbraw/zinc/21/54/33/973215433.db2.gz IUXXAPFWRNOJSY-KRWDZBQOSA-N -1 1 342.439 3.521 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(Br)c(F)c1)c1ccsc1 ZINC000426825285 974049317 /nfs/dbraw/zinc/04/93/17/974049317.db2.gz AMPGSFCGFAPTPV-GFCCVEGCSA-N -1 1 344.205 3.565 20 0 EHADMM Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])cc3F)CC2)cc1 ZINC000518990461 974326414 /nfs/dbraw/zinc/32/64/14/974326414.db2.gz HQVJRUXCMPUUMI-UHFFFAOYSA-N -1 1 343.398 3.876 20 0 EHADMM CCN(Cc1occc1C(=O)[O-])Cc1cccc(Br)c1 ZINC000568521320 974673335 /nfs/dbraw/zinc/67/33/35/974673335.db2.gz WFLGWCKZBDYWTM-UHFFFAOYSA-N -1 1 338.201 3.762 20 0 EHADMM CO[C@]1(C)C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C1(C)C ZINC000571930486 974738797 /nfs/dbraw/zinc/73/87/97/974738797.db2.gz OBIPWVWYCYQLIP-RHSMWYFYSA-N -1 1 325.836 3.674 20 0 EHADMM COc1ccc(OC)c([C@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)c1 ZINC000576710505 974820297 /nfs/dbraw/zinc/82/02/97/974820297.db2.gz LCOWTBOLQDPMCM-MRXNPFEDSA-N -1 1 345.395 3.641 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000578756517 974861513 /nfs/dbraw/zinc/86/15/13/974861513.db2.gz WXEZQWOIXVJPQN-GTNSWQLSSA-N -1 1 337.370 3.679 20 0 EHADMM Cc1cc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@H]43)n2)ccc1C(=O)[O-] ZINC000904512036 1032087705 /nfs/dbraw/zinc/08/77/05/1032087705.db2.gz XFDDZZHWDIQDAY-DAXOMENPSA-N -1 1 341.411 3.584 20 0 EHADMM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(Cl)c2)c(OC)c1 ZINC000652373664 975515996 /nfs/dbraw/zinc/51/59/96/975515996.db2.gz JVCFNFKKWBUNPN-UHFFFAOYSA-N -1 1 349.814 3.687 20 0 EHADMM Cc1cc(CN(C)Cc2ccccc2C(F)(F)F)oc1C(=O)[O-] ZINC000652385677 975517969 /nfs/dbraw/zinc/51/79/69/975517969.db2.gz PXDYTUWHLDTDFU-UHFFFAOYSA-N -1 1 327.302 3.937 20 0 EHADMM CCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C12CCC2 ZINC000652440888 975534534 /nfs/dbraw/zinc/53/45/34/975534534.db2.gz FHFISHLMQDPDMZ-CVEARBPZSA-N -1 1 337.847 3.818 20 0 EHADMM CC(C)c1[nH]c(CN2CCCO[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC001591912099 976334737 /nfs/dbraw/zinc/33/47/37/976334737.db2.gz CGSJBBKZOIPPSV-GOSISDBHSA-N -1 1 342.439 3.800 20 0 EHADMM O=C1COc2c(NCc3cccc([O-])c3Cl)cc(Cl)cc2N1 ZINC000339401972 1014356292 /nfs/dbraw/zinc/35/62/92/1014356292.db2.gz YWXMSOJXAAIUEI-UHFFFAOYSA-N -1 1 339.178 3.642 20 0 EHADMM C[C@](CC(=O)[O-])(NCc1cccc(Cl)c1Cl)c1ccncc1 ZINC001592328956 977749894 /nfs/dbraw/zinc/74/98/94/977749894.db2.gz PFTXGUSEEUYBBD-MRXNPFEDSA-N -1 1 339.222 3.868 20 0 EHADMM C[C@@H]1CN(Cc2ccc(Cl)cc2Br)C[C@H]1CC(=O)[O-] ZINC000722644602 978156918 /nfs/dbraw/zinc/15/69/18/978156918.db2.gz KEHAVMIJLLCZMB-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])c1ccccc1OCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000768781469 978739762 /nfs/dbraw/zinc/73/97/62/978739762.db2.gz IFDCPVOLTGDGGK-FQEVSTJZSA-N -1 1 348.402 3.538 20 0 EHADMM O=C([O-])c1ccc(F)c2c1CN(CCOC1CCCCCC1)CC2 ZINC000863473273 979669130 /nfs/dbraw/zinc/66/91/30/979669130.db2.gz 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Cc1cc(C(=O)Nc2ccc(F)cc2[O-])nn1-c1ccc(F)cc1F ZINC000436484929 1025788877 /nfs/dbraw/zinc/78/88/77/1025788877.db2.gz DKPOCNZGZZFNHX-UHFFFAOYSA-N -1 1 347.296 3.556 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2ccccc2Cl)c1 ZINC000436501852 1025818349 /nfs/dbraw/zinc/81/83/49/1025818349.db2.gz AXOASLNGERJGSO-LLVKDONJSA-N -1 1 347.798 3.650 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)c([O-])c1 ZINC000436535425 1025844463 /nfs/dbraw/zinc/84/44/63/1025844463.db2.gz KLUCNWFNYLODRW-UHFFFAOYSA-N -1 1 327.306 3.527 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc3sccc3c2)c1 ZINC000436517441 1025848716 /nfs/dbraw/zinc/84/87/16/1025848716.db2.gz ZSRNAJPCXTWWPC-UHFFFAOYSA-N -1 1 327.361 3.646 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)c([O-])c1 ZINC000436538605 1025865959 /nfs/dbraw/zinc/86/59/59/1025865959.db2.gz REPDAZTUZGQVHP-UHFFFAOYSA-N -1 1 340.423 3.531 20 0 EHADMM O=C(NCCc1ccc2ccccc2n1)c1ccc(Cl)cc1[O-] ZINC000436540561 1025872679 /nfs/dbraw/zinc/87/26/79/1025872679.db2.gz 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CC(C)CCN1Cc2cccc(NC(=O)C(C)(C)CCC(=O)[O-])c2C1 ZINC000634821510 1026202022 /nfs/dbraw/zinc/20/20/22/1026202022.db2.gz ZEPQVXWMELMVGD-UHFFFAOYSA-N -1 1 346.471 3.878 20 0 EHADMM O=C(NCCOC1CCCCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875152 1026284137 /nfs/dbraw/zinc/28/41/37/1026284137.db2.gz AMZYHYVTKVBWFY-UHFFFAOYSA-N -1 1 345.361 3.880 20 0 EHADMM Cc1csc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC000684876501 1026295518 /nfs/dbraw/zinc/29/55/18/1026295518.db2.gz UALZJOPWZITAGO-UHFFFAOYSA-N -1 1 344.358 3.841 20 0 EHADMM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531008139 1026479630 /nfs/dbraw/zinc/47/96/30/1026479630.db2.gz CMDYOSDWPXXPNK-CQSZACIVSA-N -1 1 329.421 3.732 20 0 EHADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1c(F)ccc([O-])c1F ZINC000582573652 1026646095 /nfs/dbraw/zinc/64/60/95/1026646095.db2.gz QYPSSQOGWYXZDL-QPUJVOFHSA-N -1 1 341.716 3.749 20 0 EHADMM Cc1nc(-c2ccc(NC[C@@H](C)c3nccs3)nc2)[n-]c(=O)c1C ZINC000302139570 1027066171 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CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000055158315 1028260641 /nfs/dbraw/zinc/26/06/41/1028260641.db2.gz OTJFDWJOSYBVAY-UHFFFAOYSA-N -1 1 341.392 3.521 20 0 EHADMM COc1ccc(-c2nc(-c3ccc(Cl)cc3OC)no2)c([O-])c1 ZINC000323208093 1028446545 /nfs/dbraw/zinc/44/65/45/1028446545.db2.gz WIXFSNULVCVTTA-UHFFFAOYSA-N -1 1 332.743 3.780 20 0 EHADMM Cc1ccc([C@@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)cc1C ZINC000070700439 1028458095 /nfs/dbraw/zinc/45/80/95/1028458095.db2.gz PIONEKACGDVBCV-SFHVURJKSA-N -1 1 347.418 3.930 20 0 EHADMM Cc1cc(F)ccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000153650441 1028481193 /nfs/dbraw/zinc/48/11/93/1028481193.db2.gz GEWUYNFCAGKAJG-UHFFFAOYSA-N -1 1 341.382 3.575 20 0 EHADMM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000194816170 1028551863 /nfs/dbraw/zinc/55/18/63/1028551863.db2.gz YGGCLLZAGHDZPU-ZETCQYMHSA-N -1 1 346.239 3.524 20 0 EHADMM COc1cc(C(=O)NCc2cccc3cccnc32)cc(Cl)c1[O-] ZINC000153688698 1028606955 /nfs/dbraw/zinc/60/69/55/1028606955.db2.gz 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COc1c(Cl)cc(Cl)cc1CN1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424425725 1029047358 /nfs/dbraw/zinc/04/73/58/1029047358.db2.gz ZJMVIOSHVMKLMT-TVQRCGJNSA-N -1 1 332.227 3.687 20 0 EHADMM CC(C)COc1cccc(OCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532994033 1029151371 /nfs/dbraw/zinc/15/13/71/1029151371.db2.gz JRZVUPGONIEJKK-UHFFFAOYSA-N -1 1 333.359 3.584 20 0 EHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@@H](C)S1 ZINC000583209867 1029246776 /nfs/dbraw/zinc/24/67/76/1029246776.db2.gz VMEUOMBIPIWATP-JRKPZEMJSA-N -1 1 334.268 3.945 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC000424782795 1029332160 /nfs/dbraw/zinc/33/21/60/1029332160.db2.gz IWFYQNPJIXSETA-NXEZZACHSA-N -1 1 330.197 3.930 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](c2ccccc2)C1 ZINC000078672621 1029409087 /nfs/dbraw/zinc/40/90/87/1029409087.db2.gz FXKSWRXGCMWBGC-IBGZPJMESA-N -1 1 333.387 3.759 20 0 EHADMM C[C@H]1CC2(CN1C(=O)c1ccc3ccccc3c1[O-])CCOCC2 ZINC000648609910 1029737792 /nfs/dbraw/zinc/73/77/92/1029737792.db2.gz VRPGIZOTKPJYBW-AWEZNQCLSA-N -1 1 325.408 3.577 20 0 EHADMM CCc1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000446785268 1029800599 /nfs/dbraw/zinc/80/05/99/1029800599.db2.gz MBVVTGFUAIIHDB-UHFFFAOYSA-N -1 1 345.251 3.893 20 0 EHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(COC)c2)c1 ZINC000555972491 1029990071 /nfs/dbraw/zinc/99/00/71/1029990071.db2.gz ZVRMIODPYCAYOC-AWEZNQCLSA-N -1 1 349.452 3.811 20 0 EHADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1C ZINC000447257192 1030047730 /nfs/dbraw/zinc/04/77/30/1030047730.db2.gz NOOYPPXCBFUZMJ-UHFFFAOYSA-N -1 1 348.449 3.723 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481985318 1030149062 /nfs/dbraw/zinc/14/90/62/1030149062.db2.gz XLMVFAVDKCYHER-UHFFFAOYSA-N -1 1 335.400 3.866 20 0 EHADMM O=S(=O)(Cc1nc(C2CCCCC2)cs1)c1ccc([O-])cc1 ZINC000278338578 1030243209 /nfs/dbraw/zinc/24/32/09/1030243209.db2.gz UUNPKHXHERFNJA-UHFFFAOYSA-N -1 1 337.466 3.870 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3ccncc32)c(C)c1 ZINC000532037444 1030301254 /nfs/dbraw/zinc/30/12/54/1030301254.db2.gz WZULGHKZIPEVSO-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000532292732 1030527833 /nfs/dbraw/zinc/52/78/33/1030527833.db2.gz ZIYFXJNTVDGHKF-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000194569308 1030893326 /nfs/dbraw/zinc/89/33/26/1030893326.db2.gz NJRDVIYLGJMMGY-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM CCc1cccc2c1N(C(=O)c1cc(Cl)c([O-])c(OC)c1)CC2 ZINC000527487070 1030909605 /nfs/dbraw/zinc/90/96/05/1030909605.db2.gz ZZVPWVPSCWXYMT-UHFFFAOYSA-N -1 1 331.799 3.820 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000476947566 1031098216 /nfs/dbraw/zinc/09/82/16/1031098216.db2.gz AWRLEERBWJMMMB-OAHLLOKOSA-N -1 1 341.480 3.549 20 0 EHADMM CCc1ncc(CN[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])s1 ZINC000904020348 1031610730 /nfs/dbraw/zinc/61/07/30/1031610730.db2.gz GNCHZPLLCXXWCQ-KRWDZBQOSA-N -1 1 340.448 3.644 20 0 EHADMM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cc(Cl)ccc2Br)C1 ZINC000904035869 1031648158 /nfs/dbraw/zinc/64/81/58/1031648158.db2.gz SIYMHSLDXVNYAY-BXKDBHETSA-N -1 1 344.636 3.612 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2ncc(Br)s2)[n-]1 ZINC000562414947 1031673612 /nfs/dbraw/zinc/67/36/12/1031673612.db2.gz DDHNPVAQBNTUET-UHFFFAOYSA-N -1 1 344.259 3.571 20 0 EHADMM CC(C)COC[C@H](NCc1cc(-c2ccccc2)cs1)C(=O)[O-] ZINC000904067288 1031691866 /nfs/dbraw/zinc/69/18/66/1031691866.db2.gz YTSUJWLVYGMYTN-KRWDZBQOSA-N -1 1 333.453 3.631 20 0 EHADMM CCCCc1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1 ZINC000484543633 1031705038 /nfs/dbraw/zinc/70/50/38/1031705038.db2.gz PSQDFWFHUHGKMC-UHFFFAOYSA-N -1 1 333.453 3.976 20 0 EHADMM CCO[C@@H](c1noc(-c2cc(NC(C)=O)ccc2[O-])n1)C1CCCC1 ZINC000904143427 1031789915 /nfs/dbraw/zinc/78/99/15/1031789915.db2.gz OHGZCNKLZITMGE-MRXNPFEDSA-N -1 1 345.399 3.668 20 0 EHADMM CCOc1cc(C(=O)[N-]c2nc(-c3cc(C)oc3C)cs2)on1 ZINC000448943190 1031922413 /nfs/dbraw/zinc/92/24/13/1031922413.db2.gz VVMIVYCVZHPFPG-UHFFFAOYSA-N -1 1 333.369 3.659 20 0 EHADMM CCCOc1cccc(Cc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445461108 1031952993 /nfs/dbraw/zinc/95/29/93/1031952993.db2.gz FLTWEZJYTKYTKX-UHFFFAOYSA-N -1 1 328.343 3.961 20 0 EHADMM CC(C)[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)cc1F ZINC000459392953 1032054829 /nfs/dbraw/zinc/05/48/29/1032054829.db2.gz WYXBPHRAKVGDIM-KRWDZBQOSA-N -1 1 333.382 3.825 20 0 EHADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3c(F)ccc([O-])c3F)C2)cc1 ZINC000685486211 1033386185 /nfs/dbraw/zinc/38/61/85/1033386185.db2.gz KLGUTLWICNHMOF-TZMCWYRMSA-N -1 1 331.362 3.997 20 0 EHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000608258208 1033554503 /nfs/dbraw/zinc/55/45/03/1033554503.db2.gz QSXVXGMGXNVOGW-UHFFFAOYSA-N -1 1 335.473 3.633 20 0 EHADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1c([O-])cccc1F ZINC000608366332 1033637229 /nfs/dbraw/zinc/63/72/29/1033637229.db2.gz ROQHSJGLMRFMHS-NSHDSACASA-N -1 1 342.374 3.808 20 0 EHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000460436553 1033891852 /nfs/dbraw/zinc/89/18/52/1033891852.db2.gz ISFYAZZRLKQOQR-UHFFFAOYSA-N -1 1 341.436 3.728 20 0 EHADMM CCOC(=O)c1cnc([N-]c2cnn(CC(C)C)c2C(F)F)s1 ZINC000596179324 1034099092 /nfs/dbraw/zinc/09/90/92/1034099092.db2.gz OQXXHHFNSUKLLC-UHFFFAOYSA-N -1 1 344.387 3.854 20 0 EHADMM Cc1cccc([C@H](NC(=O)c2ccc([O-])cc2F)C(F)(F)F)c1 ZINC000119546359 1034208687 /nfs/dbraw/zinc/20/86/87/1034208687.db2.gz REIFFSMWWWBOPI-AWEZNQCLSA-N -1 1 327.277 3.873 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1)c1ccccc1-c1ccccc1 ZINC000119659760 1034218899 /nfs/dbraw/zinc/21/88/99/1034218899.db2.gz FXPXLRHFQMXPRR-UHFFFAOYSA-N -1 1 325.389 3.860 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456293740 1034286009 /nfs/dbraw/zinc/28/60/09/1034286009.db2.gz PHHLQGMDGONGCJ-HIFRSBDPSA-N -1 1 325.330 3.672 20 0 EHADMM CC[C@@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000171484607 1034409603 /nfs/dbraw/zinc/40/96/03/1034409603.db2.gz JZXJMZWNHRULJG-CYBMUJFWSA-N -1 1 332.473 3.563 20 0 EHADMM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601366352 1034469850 /nfs/dbraw/zinc/46/98/50/1034469850.db2.gz HWHQUWUBCOKYEZ-MWLCHTKSSA-N -1 1 339.429 3.560 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1cc(F)cc(Cl)c1 ZINC000534402466 1034499465 /nfs/dbraw/zinc/49/94/65/1034499465.db2.gz VSHCEGAGWLREQI-UHFFFAOYSA-N -1 1 341.791 3.605 20 0 EHADMM Cc1ccc(C2(C(=O)Nc3ccc([O-])c(F)c3F)CCOCC2)cc1 ZINC000456792657 1034737535 /nfs/dbraw/zinc/73/75/35/1034737535.db2.gz IZRUZGOBSLPPAI-UHFFFAOYSA-N -1 1 347.361 3.666 20 0 EHADMM Cc1c(Cl)cccc1OCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000605882643 1034834336 /nfs/dbraw/zinc/83/43/36/1034834336.db2.gz YFMKOMLRHQBTFT-UHFFFAOYSA-N -1 1 347.827 3.539 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000605876023 1034842886 /nfs/dbraw/zinc/84/28/86/1034842886.db2.gz CYMXTMUZEGPOAA-UHFFFAOYSA-N -1 1 327.771 3.996 20 0 EHADMM CSC1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000601963137 1034850469 /nfs/dbraw/zinc/85/04/69/1034850469.db2.gz KPCAITXYIGFHGE-CYBMUJFWSA-N -1 1 334.268 3.947 20 0 EHADMM CCN(Cc1cnc(C(=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000530161953 1035032105 /nfs/dbraw/zinc/03/21/05/1035032105.db2.gz KZFDEYIQNNOZIN-LBPRGKRZSA-N -1 1 325.368 3.504 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1sccc1Cl ZINC000451017201 1035034548 /nfs/dbraw/zinc/03/45/48/1035034548.db2.gz UNMKCAHTSCHTBP-CYBMUJFWSA-N -1 1 327.858 3.831 20 0 EHADMM Cc1cccc(C)c1OCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000584498349 1035215206 /nfs/dbraw/zinc/21/52/06/1035215206.db2.gz LTMOWXOKWUKNOO-UHFFFAOYSA-N -1 1 326.368 3.908 20 0 EHADMM Cc1noc(C)c1CCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080186 1035438978 /nfs/dbraw/zinc/43/89/78/1035438978.db2.gz LECJBSRIQGREHO-UHFFFAOYSA-N -1 1 335.310 3.505 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000321290200 1035606903 /nfs/dbraw/zinc/60/69/03/1035606903.db2.gz UJJIXBAAQNVPHA-UHFFFAOYSA-N -1 1 328.393 3.814 20 0 EHADMM Cn1c2ccc([N-]S(=O)(=O)c3ccccc3)cc2nc1C(C)(C)C ZINC000534794569 1035608682 /nfs/dbraw/zinc/60/86/82/1035608682.db2.gz FDCFJCWNGCLCKP-UHFFFAOYSA-N -1 1 343.452 3.672 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000457007258 1035634684 /nfs/dbraw/zinc/63/46/84/1035634684.db2.gz FHVKNXVOOOJPEH-CYBMUJFWSA-N -1 1 333.476 3.686 20 0 EHADMM COC(=O)c1c[n-]c(SCc2csc(-c3cccs3)n2)n1 ZINC000187588334 1035841965 /nfs/dbraw/zinc/84/19/65/1035841965.db2.gz JKDKRJTXFBQKJG-UHFFFAOYSA-N -1 1 337.451 3.674 20 0 EHADMM Cc1cnc(SCC(=O)CC23CC4CC(CC(C4)C2)C3)[n-]c1=O ZINC000572016440 1035949836 /nfs/dbraw/zinc/94/98/36/1035949836.db2.gz VXEKYOVVFLALDF-UHFFFAOYSA-N -1 1 332.469 3.758 20 0 EHADMM CCC[C@@H](C)N(C)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000032064879 1036009642 /nfs/dbraw/zinc/00/96/42/1036009642.db2.gz UNKYJXNQBPDBIG-CQSZACIVSA-N -1 1 346.500 3.953 20 0 EHADMM CSc1ccc(CCCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000572288734 1036056751 /nfs/dbraw/zinc/05/67/51/1036056751.db2.gz DBOVVBYOPYFYJG-UHFFFAOYSA-N -1 1 344.362 3.507 20 0 EHADMM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000175210812 1036258857 /nfs/dbraw/zinc/25/88/57/1036258857.db2.gz MAQLZRVOEMYPNZ-UHFFFAOYSA-N -1 1 346.427 3.645 20 0 EHADMM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1c(F)cccc1Cl ZINC000464430426 1036431357 /nfs/dbraw/zinc/43/13/57/1036431357.db2.gz ZEQYWJZPXJQZOY-GFCCVEGCSA-N -1 1 343.832 3.604 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000615221127 1036626796 /nfs/dbraw/zinc/62/67/96/1036626796.db2.gz IXSVTFJYDUKQMZ-UHFFFAOYSA-N -1 1 327.306 3.516 20 0 EHADMM COc1cc(C(=O)N[C@H](C)CCCc2cccnc2)cc(Cl)c1[O-] ZINC000457919481 1036641695 /nfs/dbraw/zinc/64/16/95/1036641695.db2.gz YARISWBCKBDMLH-GFCCVEGCSA-N -1 1 348.830 3.590 20 0 EHADMM CCc1[n-][nH]c(=NC(=O)[C@@H](C)CCC(C)(C)C)c1Br ZINC000541789165 1036648799 /nfs/dbraw/zinc/64/87/99/1036648799.db2.gz RCKAHPSBQOVEIP-VIFPVBQESA-N -1 1 330.270 3.557 20 0 EHADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000589980854 1036700182 /nfs/dbraw/zinc/70/01/82/1036700182.db2.gz REKKBISXVSXPLZ-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(c2cccc(Cl)c2)CCC1 ZINC000102889408 1036759193 /nfs/dbraw/zinc/75/91/93/1036759193.db2.gz IERSRFNKKZVKSE-UHFFFAOYSA-N -1 1 344.724 3.537 20 0 EHADMM COc1cc2c(cc1NC(=O)c1cncc([O-])c1)oc1ccccc12 ZINC000327615833 1036957405 /nfs/dbraw/zinc/95/74/05/1036957405.db2.gz MTGKEBRFNANFDW-UHFFFAOYSA-N -1 1 334.331 3.948 20 0 EHADMM CCOc1ccc(C(C)=O)cc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000539615526 1036980308 /nfs/dbraw/zinc/98/03/08/1036980308.db2.gz GSNRHMQOYHAVPF-UHFFFAOYSA-N -1 1 332.425 3.693 20 0 EHADMM Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2Cl)[n-]c(=O)c1C ZINC000539617139 1036985819 /nfs/dbraw/zinc/98/58/19/1036985819.db2.gz WZLQQOOGIXDIHS-JTQLQIEISA-N -1 1 337.832 3.572 20 0 EHADMM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000493309666 1037245888 /nfs/dbraw/zinc/24/58/88/1037245888.db2.gz GJKWQCVNGPKTPA-CYBMUJFWSA-N -1 1 329.469 3.589 20 0 EHADMM CC(C)(C)C[C@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1(C)C ZINC000414404592 1037397628 /nfs/dbraw/zinc/39/76/28/1037397628.db2.gz AZCAYGYMAHQEIS-CYBMUJFWSA-N -1 1 341.455 3.600 20 0 EHADMM CC(C)(CO)[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccs1 ZINC001143480218 1037513424 /nfs/dbraw/zinc/51/34/24/1037513424.db2.gz SJVAZORCOZYNRW-AWEZNQCLSA-N -1 1 339.844 3.597 20 0 EHADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)o1 ZINC000026540079 1037615206 /nfs/dbraw/zinc/61/52/06/1037615206.db2.gz BLYZGPYKCLZQDZ-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM Cc1cc(Br)cc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001625894470 1037830966 /nfs/dbraw/zinc/83/09/66/1037830966.db2.gz YLPFNBQEJSGHIC-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM O=C(COc1ccccc1C(F)(F)F)Nc1ccc(F)cc1[O-] ZINC000532621176 1037941239 /nfs/dbraw/zinc/94/12/39/1037941239.db2.gz JFDIYQVJGFCAKZ-UHFFFAOYSA-N -1 1 329.249 3.568 20 0 EHADMM O=C(CCc1ccc(OC(F)F)cc1)Nc1ccc(F)cc1[O-] ZINC000532622102 1037945252 /nfs/dbraw/zinc/94/52/52/1037945252.db2.gz AVQKMEWDHPZEJP-UHFFFAOYSA-N -1 1 325.286 3.704 20 0 EHADMM Cc1c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2nn1C ZINC000461334650 1038349174 /nfs/dbraw/zinc/34/91/74/1038349174.db2.gz XEANARNBZAZVOQ-UHFFFAOYSA-N -1 1 343.452 3.608 20 0 EHADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc(Cl)c3C)ccc12 ZINC000461339746 1038353299 /nfs/dbraw/zinc/35/32/99/1038353299.db2.gz FUMCRDOPUPMAJT-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1csc2c1CCCC2 ZINC000339136148 1038428847 /nfs/dbraw/zinc/42/88/47/1038428847.db2.gz VZTHUAROGCEWBG-UHFFFAOYSA-N -1 1 339.420 3.975 20 0 EHADMM Cc1ccnc(C2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)n1 ZINC000363819606 1038610729 /nfs/dbraw/zinc/61/07/29/1038610729.db2.gz LSINISAKWNHWIU-UHFFFAOYSA-N -1 1 347.418 3.664 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCC(F)CC1 ZINC000660035099 1038753571 /nfs/dbraw/zinc/75/35/71/1038753571.db2.gz RVTCIBSMVTVOSY-XNWIYYODSA-N -1 1 325.858 3.597 20 0 EHADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1-c1ccccc1 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CC(C)CCOc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000026254593 1127770640 /nfs/dbraw/zinc/77/06/40/1127770640.db2.gz AAJCYWZCZAVFPJ-UHFFFAOYSA-N -1 1 342.321 3.501 20 0 EHADMM O=S(=O)([N-]Cc1ccccc1F)c1cc(Cl)sc1Cl ZINC000032549761 1127853130 /nfs/dbraw/zinc/85/31/30/1127853130.db2.gz LHFBUEXEHKVMAP-UHFFFAOYSA-N -1 1 340.228 3.673 20 0 EHADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000033795310 1127867176 /nfs/dbraw/zinc/86/71/76/1127867176.db2.gz HVQFXUVEAZEEHE-UHFFFAOYSA-N -1 1 333.453 3.586 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1F ZINC000064938258 1128181612 /nfs/dbraw/zinc/18/16/12/1128181612.db2.gz FMKSWPZUSIMSEK-UHFFFAOYSA-N -1 1 349.427 3.862 20 0 EHADMM CC(C)n1c(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n[n-]c1=S ZINC000068447288 1128267609 /nfs/dbraw/zinc/26/76/09/1128267609.db2.gz DJYJSPANLZAYGG-CQSZACIVSA-N -1 1 334.489 3.584 20 0 EHADMM COc1cccc(-c2nc(=NC(=O)Nc3cscc3C)s[n-]2)c1 ZINC000542690426 1128539971 /nfs/dbraw/zinc/53/99/71/1128539971.db2.gz GPEPYVWVJNYRRJ-UHFFFAOYSA-N -1 1 346.437 3.650 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc(C)cc3C(F)(F)F)no2)n[n-]1 ZINC001212429885 1128585987 /nfs/dbraw/zinc/58/59/87/1128585987.db2.gz PHYKLFYTWVJMDW-UHFFFAOYSA-N -1 1 336.273 3.657 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc(C)cc3C(F)(F)F)no2)[n-]n1 ZINC001212429885 1128585989 /nfs/dbraw/zinc/58/59/89/1128585989.db2.gz PHYKLFYTWVJMDW-UHFFFAOYSA-N -1 1 336.273 3.657 20 0 EHADMM O=C([N-][C@@H]1COc2ccc(Cl)cc21)C(F)(F)c1ccccc1F ZINC000765862151 1128621960 /nfs/dbraw/zinc/62/19/60/1128621960.db2.gz KJCRDAJBHUEFIH-CYBMUJFWSA-N -1 1 341.716 3.821 20 0 EHADMM C[C@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)[C@H](C(=O)[O-])C1 ZINC000388907607 1128796563 /nfs/dbraw/zinc/79/65/63/1128796563.db2.gz TWLVYMMMOSWBMK-CABZTGNLSA-N -1 1 333.762 3.627 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000672163551 1128826010 /nfs/dbraw/zinc/82/60/10/1128826010.db2.gz SCIXVDDCAKMRGW-JFIYKMOQSA-N -1 1 325.383 3.940 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(OCc2cccnc2)cc1 ZINC001648846624 1120053892 /nfs/dbraw/zinc/05/38/92/1120053892.db2.gz FIVLDFPYJIZSNR-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM COc1ccc2nc(-c3ccc(-c4ccc(O)cc4)cc3)[n-]c(=O)c2c1 ZINC000063580858 1128887860 /nfs/dbraw/zinc/88/78/60/1128887860.db2.gz JWRGRWBZNGPADY-UHFFFAOYSA-N -1 1 344.370 3.971 20 0 EHADMM CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001648901779 1120064527 /nfs/dbraw/zinc/06/45/27/1120064527.db2.gz UIZBQKPBZLTROZ-AWEZNQCLSA-N -1 1 345.418 3.503 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2cccc(OCC)n2)c([O-])c1 ZINC001648919477 1120182482 /nfs/dbraw/zinc/18/24/82/1120182482.db2.gz UAIWGNVUEADXAY-UHFFFAOYSA-N -1 1 330.384 3.617 20 0 EHADMM CC(C)n1c(CCNC(=O)C[C@@H](C)C2CCCCC2)n[n-]c1=S ZINC000067073578 1120249357 /nfs/dbraw/zinc/24/93/57/1120249357.db2.gz CICNNDWNESNGDW-CYBMUJFWSA-N -1 1 338.521 3.787 20 0 EHADMM Cc1cccc(CN(C)C(=O)c2cc(Br)ccc2[O-])c1 ZINC000220968200 1120499497 /nfs/dbraw/zinc/49/94/97/1120499497.db2.gz FVBIJABDPCRYOT-UHFFFAOYSA-N -1 1 334.213 3.735 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000189224152 1120561448 /nfs/dbraw/zinc/56/14/48/1120561448.db2.gz CHBXQIQGORMNHU-UHFFFAOYSA-N -1 1 333.306 3.731 20 0 EHADMM COc1cc(F)c(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000192215583 1120725966 /nfs/dbraw/zinc/72/59/66/1120725966.db2.gz DVQHTNVBBWKGMC-UHFFFAOYSA-N -1 1 340.738 3.846 20 0 EHADMM CCOc1cc(C(=O)NCCc2ccccc2F)cc(Cl)c1[O-] ZINC000193961545 1120811342 /nfs/dbraw/zinc/81/13/42/1120811342.db2.gz LGRKSLUHVITNET-UHFFFAOYSA-N -1 1 337.778 3.556 20 0 EHADMM CC1(C)CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000227410674 1120880346 /nfs/dbraw/zinc/88/03/46/1120880346.db2.gz PJOFWYUVVLQTIS-LLVKDONJSA-N -1 1 326.234 3.853 20 0 EHADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n[nH]1 ZINC000761841624 1120983837 /nfs/dbraw/zinc/98/38/37/1120983837.db2.gz LRQVMFSLKDZJAT-UHFFFAOYSA-N -1 1 345.468 3.727 20 0 EHADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C[C@@H]1C ZINC000230665243 1121006024 /nfs/dbraw/zinc/00/60/24/1121006024.db2.gz BMJZNTHEFRHAIU-SCVCMEIPSA-N -1 1 326.234 3.709 20 0 EHADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000231328754 1121028590 /nfs/dbraw/zinc/02/85/90/1121028590.db2.gz PZHWEKIWPQMHOX-GHMZBOCLSA-N -1 1 326.234 3.711 20 0 EHADMM O=S(=O)([N-]c1ccccc1Br)c1c(F)cccc1F ZINC000003532611 1121068161 /nfs/dbraw/zinc/06/81/61/1121068161.db2.gz DRBCQWHDYIIIFI-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM CCOC(=O)Nc1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000495318189 1121071077 /nfs/dbraw/zinc/07/10/77/1121071077.db2.gz WYUMZKUQTIXSFC-UHFFFAOYSA-N -1 1 343.314 3.817 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1 ZINC000074983588 1121714219 /nfs/dbraw/zinc/71/42/19/1121714219.db2.gz FDEQALAQTSRUOA-UHFFFAOYSA-N -1 1 347.436 3.867 20 0 EHADMM C[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000915874847 1121763845 /nfs/dbraw/zinc/76/38/45/1121763845.db2.gz CACPLPNPEVUFHK-UHFFFAOYSA-N -1 1 329.783 3.784 20 0 EHADMM CCc1cccc2c(CC(=O)Nc3nc(Cl)ccc3[O-])c[nH]c21 ZINC000763190721 1121825035 /nfs/dbraw/zinc/82/50/35/1121825035.db2.gz AMCCOTOIDFQZJQ-UHFFFAOYSA-N -1 1 329.787 3.666 20 0 EHADMM COC(=O)NCc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000496404883 1122079570 /nfs/dbraw/zinc/07/95/70/1122079570.db2.gz WQYUZOKSIPIZMK-UHFFFAOYSA-N -1 1 349.774 3.546 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(OC2CCCCC2)CC1 ZINC000123436645 1122203261 /nfs/dbraw/zinc/20/32/61/1122203261.db2.gz INDHDWUUAGLJPC-UHFFFAOYSA-N -1 1 337.847 4.000 20 0 EHADMM Cn1cnc(-c2cccc(NC(=O)c3ccc4ccccc4c3[O-])c2)n1 ZINC000126673674 1122418479 /nfs/dbraw/zinc/41/84/79/1122418479.db2.gz NDKOJKVPNZZXBT-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM CO[C@H]1CCC[C@H](C(=O)Nc2cc(C)cc(Br)c2[O-])C1 ZINC000498215343 1122801251 /nfs/dbraw/zinc/80/12/51/1122801251.db2.gz FNAWRBKTEOQWPC-QWRGUYRKSA-N -1 1 342.233 3.607 20 0 EHADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H](C)c1ccc(C)o1 ZINC000672816452 1129078837 /nfs/dbraw/zinc/07/88/37/1129078837.db2.gz RBSBJVPRLKVDHP-AWEZNQCLSA-N -1 1 329.396 3.866 20 0 EHADMM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccccc1[O-] ZINC000129661836 1122817393 /nfs/dbraw/zinc/81/73/93/1122817393.db2.gz CEJPXOYBCGDOHN-UHFFFAOYSA-N -1 1 344.798 3.534 20 0 EHADMM COc1ccc(-c2noc(-c3ncccc3[O-])n2)c(C(F)(F)F)c1 ZINC001212480855 1129086970 /nfs/dbraw/zinc/08/69/70/1129086970.db2.gz MSMCWQYZASBZIZ-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1 ZINC000556304809 1122923774 /nfs/dbraw/zinc/92/37/74/1122923774.db2.gz WXWUIZSQTLYXEW-UHFFFAOYSA-N -1 1 347.761 3.642 20 0 EHADMM Cc1ncccc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000072913614 1123176067 /nfs/dbraw/zinc/17/60/67/1123176067.db2.gz XKNQRWHQVRAOLH-UHFFFAOYSA-N -1 1 334.441 3.616 20 0 EHADMM Cc1cc(CNC(=O)c2ccc(Br)c([O-])c2)ccc1F ZINC000132947833 1123321668 /nfs/dbraw/zinc/32/16/68/1123321668.db2.gz XRBOOJXRCGOISO-UHFFFAOYSA-N -1 1 338.176 3.532 20 0 EHADMM Cc1nc(COc2ccc(NCc3cccc(Cl)c3[O-])cc2)no1 ZINC000181050771 1124494422 /nfs/dbraw/zinc/49/44/22/1124494422.db2.gz VOOYKZXAZVQPSN-UHFFFAOYSA-N -1 1 345.786 3.928 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)N=c1cc(-c2cccs2)[nH][nH]1 ZINC000617367289 1124500081 /nfs/dbraw/zinc/50/00/81/1124500081.db2.gz NUGAEJZEVVZFIP-UHFFFAOYSA-N -1 1 349.419 3.511 20 0 EHADMM Cc1[nH]c(-c2ccccc2)nc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617367289 1124500087 /nfs/dbraw/zinc/50/00/87/1124500087.db2.gz NUGAEJZEVVZFIP-UHFFFAOYSA-N -1 1 349.419 3.511 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617367289 1124500096 /nfs/dbraw/zinc/50/00/96/1124500096.db2.gz NUGAEJZEVVZFIP-UHFFFAOYSA-N -1 1 349.419 3.511 20 0 EHADMM CC(C)c1cccc(OCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000617366243 1124500213 /nfs/dbraw/zinc/50/02/13/1124500213.db2.gz XDSDLZCPVVKEQC-UHFFFAOYSA-N -1 1 341.436 3.701 20 0 EHADMM CC(C)c1ccc2nc(-c3cc(OCC(F)F)ccn3)[n-]c(=O)c2c1 ZINC000091516611 1124985374 /nfs/dbraw/zinc/98/53/74/1124985374.db2.gz BYCYZCWTRUUXBP-UHFFFAOYSA-N -1 1 345.349 3.752 20 0 EHADMM Cc1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182045846 1125137293 /nfs/dbraw/zinc/13/72/93/1125137293.db2.gz VOQCGASBEPCIRW-UHFFFAOYSA-N -1 1 337.297 3.759 20 0 EHADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C)cc3Cl)ccc12 ZINC000093909213 1125323116 /nfs/dbraw/zinc/32/31/16/1125323116.db2.gz CRYAKQDRZIVYIG-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM Cc1nc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)co1 ZINC000681551577 1129193170 /nfs/dbraw/zinc/19/31/70/1129193170.db2.gz MUDGIWGUBLYMJZ-UHFFFAOYSA-N -1 1 344.440 3.555 20 0 EHADMM CC(C)(CC(F)(F)F)NC(=O)c1cc(Br)ccc1[O-] ZINC000682021529 1129201934 /nfs/dbraw/zinc/20/19/34/1129201934.db2.gz MKHNZIVXYFNFTG-UHFFFAOYSA-N -1 1 340.139 3.616 20 0 EHADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000499742904 1129442909 /nfs/dbraw/zinc/44/29/09/1129442909.db2.gz NXIVBRNYFUIVOB-KCJUWKMLSA-N -1 1 341.782 3.826 20 0 EHADMM O=C(C[C@@H]1CCCCO1)Nc1c([O-])cc(Br)cc1Cl ZINC000673483567 1129456994 /nfs/dbraw/zinc/45/69/94/1129456994.db2.gz LGBTYKBLJUJGLV-VIFPVBQESA-N -1 1 348.624 3.706 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])Cc2ccccc21 ZINC000922325074 1129468590 /nfs/dbraw/zinc/46/85/90/1129468590.db2.gz XAOUKRJFXSQCPO-LLVKDONJSA-N -1 1 346.224 3.914 20 0 EHADMM C[C@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1nccs1 ZINC000338867842 1129604627 /nfs/dbraw/zinc/60/46/27/1129604627.db2.gz GFIULTKBLNNRHM-SECBINFHSA-N -1 1 347.827 3.584 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c1 ZINC000673982364 1129933067 /nfs/dbraw/zinc/93/30/67/1129933067.db2.gz MRXNPWKUYOPGLZ-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccccc1SC1CCCC1 ZINC000172365556 1130127909 /nfs/dbraw/zinc/12/79/09/1130127909.db2.gz TWGVAWHUSWNPOR-CYBMUJFWSA-N -1 1 341.498 3.642 20 0 EHADMM O=S(=O)([N-]c1cc(-c2cccc(Cl)c2)n[nH]1)c1ccccc1 ZINC000674755729 1130188195 /nfs/dbraw/zinc/18/81/95/1130188195.db2.gz XPXOQRRBRUIHGC-UHFFFAOYSA-N -1 1 333.800 3.531 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1c1ccccc1Br ZINC000674865067 1130211594 /nfs/dbraw/zinc/21/15/94/1130211594.db2.gz BSXQOYOKLPMISD-HNNXBMFYSA-N -1 1 347.212 3.527 20 0 EHADMM O=C(OCc1cc(Cl)nc(Cl)c1)c1c([O-])cc(F)cc1F ZINC000733470564 1131046640 /nfs/dbraw/zinc/04/66/40/1131046640.db2.gz LISXVCIKASPRDQ-UHFFFAOYSA-N -1 1 334.105 3.729 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000144646453 1131168857 /nfs/dbraw/zinc/16/88/57/1131168857.db2.gz FZUWMEXDSYRTLM-SFHVURJKSA-N -1 1 345.826 3.631 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c1 ZINC000096171051 1131755468 /nfs/dbraw/zinc/75/54/68/1131755468.db2.gz YVTFWNCRFDVYQD-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM CC(F)(F)c1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001212677433 1131817336 /nfs/dbraw/zinc/81/73/36/1131817336.db2.gz WNKRTGQWXHXZFT-UHFFFAOYSA-N -1 1 327.352 3.651 20 0 EHADMM Cc1cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c(F)cc1F ZINC001212689695 1131901696 /nfs/dbraw/zinc/90/16/96/1131901696.db2.gz MUNVBPBMWFROSR-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c(F)cc1F ZINC001212689695 1131901701 /nfs/dbraw/zinc/90/17/01/1131901701.db2.gz MUNVBPBMWFROSR-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1ccc(N2CCC[C@H](NC(=O)c3c([O-])cccc3Cl)C2)cc1 ZINC000743718149 1131969658 /nfs/dbraw/zinc/96/96/58/1131969658.db2.gz JAZGCRPKFQEZRV-AWEZNQCLSA-N -1 1 344.842 3.753 20 0 EHADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)Oc1cccc(Cl)c1 ZINC000743718628 1131970160 /nfs/dbraw/zinc/97/01/60/1131970160.db2.gz QGSVGABVBKOAKO-SNVBAGLBSA-N -1 1 340.206 3.896 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cccc(C(F)(F)F)c2)c1 ZINC001173824639 1132160624 /nfs/dbraw/zinc/16/06/24/1132160624.db2.gz BINZALRQOLIMDA-UHFFFAOYSA-N -1 1 331.315 3.558 20 0 EHADMM COc1cc(Nc2cc([O-])c(Cl)cc2F)cc(OC)c1OC ZINC001173906654 1132169201 /nfs/dbraw/zinc/16/92/01/1132169201.db2.gz UJDRVNXNBGKSII-UHFFFAOYSA-N -1 1 327.739 3.954 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)Cc2ccccc2)c1 ZINC000745056831 1132188087 /nfs/dbraw/zinc/18/80/87/1132188087.db2.gz OVVDOIFGVJENAL-UHFFFAOYSA-N -1 1 340.419 3.949 20 0 EHADMM NC(=O)c1cccc(Nc2c(Cl)ccc(Br)c2[O-])c1 ZINC001174062888 1132212979 /nfs/dbraw/zinc/21/29/79/1132212979.db2.gz JOSBNORECWFREM-UHFFFAOYSA-N -1 1 341.592 3.651 20 0 EHADMM CS(=O)(=O)c1cccc(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001174028123 1132218577 /nfs/dbraw/zinc/21/85/77/1132218577.db2.gz IUAKSKACKKGQOT-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM O=C(NCc1ccco1)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174158728 1132259534 /nfs/dbraw/zinc/25/95/34/1132259534.db2.gz WPTSUPGELKEFEH-UHFFFAOYSA-N -1 1 344.317 3.937 20 0 EHADMM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000745522345 1132260983 /nfs/dbraw/zinc/26/09/83/1132260983.db2.gz GZRUCKWBVUYXIH-SNVBAGLBSA-N -1 1 334.318 3.661 20 0 EHADMM COc1ccc(Cn2cc(Nc3ccc(F)c(F)c3[O-])cn2)cc1 ZINC001174438713 1132356516 /nfs/dbraw/zinc/35/65/16/1132356516.db2.gz MTXRKOWKKCJYCU-UHFFFAOYSA-N -1 1 331.322 3.667 20 0 EHADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc3ccccc3c2)c1 ZINC001174874643 1132493416 /nfs/dbraw/zinc/49/34/16/1132493416.db2.gz GUOGHOYPBHFHIU-UHFFFAOYSA-N -1 1 342.376 3.555 20 0 EHADMM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(N)c(C)c1 ZINC001174999510 1132525375 /nfs/dbraw/zinc/52/53/75/1132525375.db2.gz AVHXCVGYNXGFSW-UHFFFAOYSA-N -1 1 334.441 3.557 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cccc(C(F)(F)F)c2F)c1 ZINC001175136244 1132577623 /nfs/dbraw/zinc/57/76/23/1132577623.db2.gz AWDOCVCNXXAUQW-UHFFFAOYSA-N -1 1 349.305 3.697 20 0 EHADMM CCOc1ccc(Nc2cc(S(=O)(=O)CC)ccc2[O-])c(C)c1 ZINC001175243258 1132606891 /nfs/dbraw/zinc/60/68/91/1132606891.db2.gz WBYNTSRPTPWSGU-UHFFFAOYSA-N -1 1 335.425 3.637 20 0 EHADMM Cc1ccc2[nH]ncc2c1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001175527582 1132700186 /nfs/dbraw/zinc/70/01/86/1132700186.db2.gz PTNBIQZMOHITFO-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM [O-]c1c(Br)cc(NC2=CCOCC2)cc1Br ZINC001176143016 1132844568 /nfs/dbraw/zinc/84/45/68/1132844568.db2.gz VWEWHKUKFWTWHU-UHFFFAOYSA-N -1 1 349.022 3.633 20 0 EHADMM Cc1ccc(-c2nc(COC(=O)c3ccc([O-])cc3F)co2)cc1 ZINC000773566889 1132908877 /nfs/dbraw/zinc/90/88/77/1132908877.db2.gz PRURZKXZOMXDSU-UHFFFAOYSA-N -1 1 327.311 3.852 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2c(F)c(F)c(F)c(F)c2F)n1 ZINC000767058003 1132938904 /nfs/dbraw/zinc/93/89/04/1132938904.db2.gz QKSUWABDVKMJKW-UHFFFAOYSA-N -1 1 336.285 3.732 20 0 EHADMM CC(C)(C)c1nc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2[nH]1 ZINC000767292972 1132978646 /nfs/dbraw/zinc/97/86/46/1132978646.db2.gz ZOXSCYVEJGQCJT-UHFFFAOYSA-N -1 1 327.359 3.957 20 0 EHADMM COC(Cc1ccccc1Nc1c(F)cc(F)c([O-])c1F)OC ZINC001176671789 1132979289 /nfs/dbraw/zinc/97/92/89/1132979289.db2.gz OZJJZOZZWBROGL-UHFFFAOYSA-N -1 1 327.302 3.715 20 0 EHADMM COC(=O)c1cc(Cl)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672410 1132979471 /nfs/dbraw/zinc/97/94/71/1132979471.db2.gz JRHGXRKFJBOQBW-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc([O-])cc1F ZINC000773587105 1132998385 /nfs/dbraw/zinc/99/83/85/1132998385.db2.gz ZVLNEVHCTYPOLI-UHFFFAOYSA-N -1 1 348.717 3.592 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000768223062 1133114457 /nfs/dbraw/zinc/11/44/57/1133114457.db2.gz ZHPQOSGFNVSKMB-UHFFFAOYSA-N -1 1 337.350 3.990 20 0 EHADMM Cc1[nH]nc(C(=O)Nc2ccc(Oc3ccccc3F)cc2)c1[O-] ZINC001177995011 1133126673 /nfs/dbraw/zinc/12/66/73/1133126673.db2.gz YWSFOSPTMGZLFK-UHFFFAOYSA-N -1 1 327.315 3.607 20 0 EHADMM CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc2ccccc21 ZINC001178075264 1133133023 /nfs/dbraw/zinc/13/30/23/1133133023.db2.gz SMRRXGDWNSYMAA-IBGZPJMESA-N -1 1 333.387 3.996 20 0 EHADMM Cc1oc2ccccc2c1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000768656348 1133166224 /nfs/dbraw/zinc/16/62/24/1133166224.db2.gz QFQYZYQISFJFCH-UHFFFAOYSA-N -1 1 339.395 3.599 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1COC[C@H]1c1ccccc1 ZINC001179660358 1133267608 /nfs/dbraw/zinc/26/76/08/1133267608.db2.gz QZOKEFHLTVDUPD-NWDGAFQWSA-N -1 1 335.762 3.553 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1c([O-])cccc1Cl ZINC000769758582 1133338207 /nfs/dbraw/zinc/33/82/07/1133338207.db2.gz KLYJTSWKOXCVBA-WBMJQRKESA-N -1 1 331.799 3.648 20 0 EHADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769932585 1133369014 /nfs/dbraw/zinc/36/90/14/1133369014.db2.gz XXFBDENGTQWLHV-JSGCOSHPSA-N -1 1 348.443 4.000 20 0 EHADMM O=C(NC1(CCOCc2ccccc2)CC1)c1c([O-])cccc1Cl ZINC000770146889 1133393202 /nfs/dbraw/zinc/39/32/02/1133393202.db2.gz XOFTYMYCCCVRMO-UHFFFAOYSA-N -1 1 345.826 3.915 20 0 EHADMM CCCCC[C@@H](C)CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000774012943 1133588659 /nfs/dbraw/zinc/58/86/59/1133588659.db2.gz QCNPIBOULKFBAP-GFCCVEGCSA-N -1 1 344.452 3.742 20 0 EHADMM C[C@@H]1CCc2ccccc2N1CCNC(=O)c1cc(Cl)ccc1[O-] ZINC001182380081 1133642990 /nfs/dbraw/zinc/64/29/90/1133642990.db2.gz KDGOAWNKUWOLJZ-CYBMUJFWSA-N -1 1 344.842 3.617 20 0 EHADMM Cc1ccc(-c2nsc([N-]C(=O)c3cc4ncccc4o3)n2)s1 ZINC001182568018 1133701361 /nfs/dbraw/zinc/70/13/61/1133701361.db2.gz CZSBUQVJVPQLEM-UHFFFAOYSA-N -1 1 342.405 3.969 20 0 EHADMM COc1cc(C(=O)N2CCc3c(C)cccc3C2)cc(Cl)c1[O-] ZINC000785585558 1133723282 /nfs/dbraw/zinc/72/32/82/1133723282.db2.gz YSALODKNRHBVOG-UHFFFAOYSA-N -1 1 331.799 3.561 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000774609218 1133786468 /nfs/dbraw/zinc/78/64/68/1133786468.db2.gz UYNNTFXLEXEQPN-UHFFFAOYSA-N -1 1 327.405 3.787 20 0 EHADMM CCc1cccc(Cl)c1CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001183455197 1133809341 /nfs/dbraw/zinc/80/93/41/1133809341.db2.gz QULIFMQPZVDTHR-OAHLLOKOSA-N -1 1 348.796 3.545 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC001184512921 1133955226 /nfs/dbraw/zinc/95/52/26/1133955226.db2.gz XPGHBUPCBVFJSI-VHSXEESVSA-N -1 1 342.233 3.928 20 0 EHADMM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1cc(Cl)ccc1F ZINC001184602739 1133964987 /nfs/dbraw/zinc/96/49/87/1133964987.db2.gz MHOKFEOANMFFAC-UHFFFAOYSA-N -1 1 334.199 3.611 20 0 EHADMM O=S(=O)([N-]Cc1cc2c(s1)CCCC2)c1sccc1Cl ZINC001185578270 1134114270 /nfs/dbraw/zinc/11/42/70/1134114270.db2.gz BKKCVLDPHQDCSL-UHFFFAOYSA-N -1 1 347.914 3.820 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1ccc2c(c1)CCC2 ZINC001185737583 1134126608 /nfs/dbraw/zinc/12/66/08/1134126608.db2.gz ZJENOVCKCLOGCG-UHFFFAOYSA-N -1 1 334.379 3.711 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2cccnc2)cc1 ZINC001185828438 1134138379 /nfs/dbraw/zinc/13/83/79/1134138379.db2.gz FKWKPJWOFGDFHC-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C2CCOCC2)cc1 ZINC001185829684 1134138452 /nfs/dbraw/zinc/13/84/52/1134138452.db2.gz WPJYVDZFEFNUAZ-UHFFFAOYSA-N -1 1 349.427 3.829 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)N[C@H]1CCCc2ccccc21 ZINC001186423915 1134216575 /nfs/dbraw/zinc/21/65/75/1134216575.db2.gz IRSZQAFPBWHPOB-KRWDZBQOSA-N -1 1 348.406 3.777 20 0 EHADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001187130894 1134301653 /nfs/dbraw/zinc/30/16/53/1134301653.db2.gz WAPFQDNFTANUHE-JGVFFNPUSA-N -1 1 328.236 3.845 20 0 EHADMM CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001187277473 1134318699 /nfs/dbraw/zinc/31/86/99/1134318699.db2.gz GNWXCJXCVACYPU-UHFFFAOYSA-N -1 1 334.759 3.866 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc([C@H]2CCCOC2)cc1 ZINC000790057540 1134366874 /nfs/dbraw/zinc/36/68/74/1134366874.db2.gz YRFSFYVPAZZBHF-ZDUSSCGKSA-N -1 1 332.787 3.587 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(N2CCCCC2)cc1 ZINC000790064398 1134367068 /nfs/dbraw/zinc/36/70/68/1134367068.db2.gz YKKAQNVOOAGVAI-UHFFFAOYSA-N -1 1 331.803 3.683 20 0 EHADMM O=C(NCc1sccc1Br)c1c([O-])cccc1Cl ZINC000746889407 1134391427 /nfs/dbraw/zinc/39/14/27/1134391427.db2.gz MHRKWIJXGQUQKK-UHFFFAOYSA-N -1 1 346.633 3.800 20 0 EHADMM Cc1cc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)n(C2CCC2)n1 ZINC001188571716 1134477702 /nfs/dbraw/zinc/47/77/02/1134477702.db2.gz ASUBVRMRWYMZGM-UHFFFAOYSA-N -1 1 339.317 3.893 20 0 EHADMM O=C([N-]c1noc2cccnc21)c1nc(Cl)ccc1C(F)(F)F ZINC001188756991 1134505517 /nfs/dbraw/zinc/50/55/17/1134505517.db2.gz YJOHMEFMRHGSHA-UHFFFAOYSA-N -1 1 342.664 3.542 20 0 EHADMM CCc1ccc([C@@H]2CN(C(=O)c3c([O-])cccc3Cl)CCO2)cc1 ZINC000791122504 1134506380 /nfs/dbraw/zinc/50/63/80/1134506380.db2.gz BIEBNNAAZGOVPS-KRWDZBQOSA-N -1 1 345.826 3.822 20 0 EHADMM CCOc1cc(C(=O)NCc2noc3ccccc23)cc(Cl)c1[O-] ZINC000791281693 1134528987 /nfs/dbraw/zinc/52/89/87/1134528987.db2.gz ALMYBHWEWQJDEX-UHFFFAOYSA-N -1 1 346.770 3.516 20 0 EHADMM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1ccccc1OC(F)F ZINC001189308427 1134568886 /nfs/dbraw/zinc/56/88/86/1134568886.db2.gz AKODCWDFDPNXBR-UHFFFAOYSA-N -1 1 349.305 3.508 20 0 EHADMM O=S(=O)([N-]c1cccc2c1COC2)c1ccc(F)c2ccccc21 ZINC001189389176 1134579324 /nfs/dbraw/zinc/57/93/24/1134579324.db2.gz NVPNGMXPRPOYKZ-UHFFFAOYSA-N -1 1 343.379 3.810 20 0 EHADMM CSc1nc(NC(=O)Nc2ccccc2C(C)(C)C)cc(=O)[n-]1 ZINC001189564201 1134599041 /nfs/dbraw/zinc/59/90/41/1134599041.db2.gz SSZUNKUBLMKSFN-UHFFFAOYSA-N -1 1 332.429 3.846 20 0 EHADMM Cc1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)nc2ccccc12 ZINC001189645540 1134605835 /nfs/dbraw/zinc/60/58/35/1134605835.db2.gz ZFPSSEOUTCCECU-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)Cc3cc(F)ccc3F)ccc2c1 ZINC001189649228 1134612206 /nfs/dbraw/zinc/61/22/06/1134612206.db2.gz MPFZRFKEDCCFLI-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2cc3ccccc3cc2O)c(OC)c1 ZINC001190138800 1134659821 /nfs/dbraw/zinc/65/98/21/1134659821.db2.gz WZWJNALMKJYCCY-UHFFFAOYSA-N -1 1 339.347 3.521 20 0 EHADMM O=c1cc(CN2CCc3cc(Cl)ccc3C2)c2ccc([O-])cc2o1 ZINC000792307306 1134677919 /nfs/dbraw/zinc/67/79/19/1134677919.db2.gz MHJICIKCAVAMSZ-UHFFFAOYSA-N -1 1 341.794 3.710 20 0 EHADMM O=c1[nH]ccc2c([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cccc21 ZINC001190500523 1134707020 /nfs/dbraw/zinc/70/70/20/1134707020.db2.gz UERBQMVFZFGVKJ-UHFFFAOYSA-N -1 1 340.404 3.619 20 0 EHADMM O=S(=O)([N-]c1ccc(Oc2cccc(F)c2)cc1)c1ccncc1 ZINC001190896284 1134763909 /nfs/dbraw/zinc/76/39/09/1134763909.db2.gz IWURSNCZRUQNST-UHFFFAOYSA-N -1 1 344.367 3.814 20 0 EHADMM CC(C)=C[C@@H]1[C@H](C(=O)OCc2cc(=O)oc3cc([O-])ccc23)C1(C)C 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CC(C)(O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001192578598 1135033249 /nfs/dbraw/zinc/03/32/49/1135033249.db2.gz AVOWETYHBXJSFW-UHFFFAOYSA-N -1 1 339.313 3.891 20 0 EHADMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cc([O-])cc(F)c1F ZINC001192685259 1135045366 /nfs/dbraw/zinc/04/53/66/1135045366.db2.gz ZXVACJSHSDOJRT-CKFGLLJZSA-N -1 1 343.373 3.983 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000747206371 1135163819 /nfs/dbraw/zinc/16/38/19/1135163819.db2.gz DTDRYSICLJMZQZ-MRXNPFEDSA-N -1 1 341.455 3.784 20 0 EHADMM Cc1nonc1[N-]C(=O)c1cc(-c2ccccc2)oc1C(F)(F)F ZINC001193788411 1135181443 /nfs/dbraw/zinc/18/14/43/1135181443.db2.gz WEDLKGOKOOQGGX-UHFFFAOYSA-N -1 1 337.257 3.909 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC3)c2ccccc12 ZINC001193864827 1135198560 /nfs/dbraw/zinc/19/85/60/1135198560.db2.gz UVOSGNDWUQFZQN-UHFFFAOYSA-N -1 1 339.416 3.884 20 0 EHADMM COc1c(Cl)c(Cl)sc1C(=O)[N-]c1noc2cnccc12 ZINC001194548603 1135284834 /nfs/dbraw/zinc/28/48/34/1135284834.db2.gz PVLQLELIOSAAIK-UHFFFAOYSA-N -1 1 344.179 3.852 20 0 EHADMM Cc1nc2ccc(F)cn2c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195120889 1135373540 /nfs/dbraw/zinc/37/35/40/1135373540.db2.gz QVFUXXQQJCNJDK-UHFFFAOYSA-N -1 1 347.415 3.706 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)ccc23)c1 ZINC001195159625 1135384553 /nfs/dbraw/zinc/38/45/53/1135384553.db2.gz RQEUCEDTASHDHB-UHFFFAOYSA-N -1 1 342.420 3.865 20 0 EHADMM O=C(Nc1ccc2sc(Cl)nc2c1)c1cc([O-])cnc1Cl ZINC001195308602 1135411268 /nfs/dbraw/zinc/41/12/68/1135411268.db2.gz HPSXDXNGIYKVTH-UHFFFAOYSA-N -1 1 340.191 3.956 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1C ZINC001195310072 1135411564 /nfs/dbraw/zinc/41/15/64/1135411564.db2.gz SBRBXJFGQSNAPR-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(F)c1 ZINC001195310330 1135412106 /nfs/dbraw/zinc/41/21/06/1135412106.db2.gz ZOKMQNOVUBXRRI-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)cc(C(F)(F)F)c1 ZINC001195449235 1135424617 /nfs/dbraw/zinc/42/46/17/1135424617.db2.gz LQJJCEYQQQAZPI-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccccc1-c1ccc(OC)cc1 ZINC001195486428 1135431939 /nfs/dbraw/zinc/43/19/39/1135431939.db2.gz CCSZXHJXMGDGHT-UHFFFAOYSA-N -1 1 330.409 3.805 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1c(C)cc(C)c(Br)c1C ZINC001195487673 1135432016 /nfs/dbraw/zinc/43/20/16/1135432016.db2.gz YCJKIZQWQMGDIE-UHFFFAOYSA-N -1 1 345.262 3.817 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCc1ccc2ccccc2c1 ZINC000747359924 1135494889 /nfs/dbraw/zinc/49/48/89/1135494889.db2.gz XEQSEDUZOGZLFT-UHFFFAOYSA-N -1 1 349.434 3.740 20 0 EHADMM CC[C@@H](C)n1nc([N-]c2nc(Cl)c(C(=O)OC)s2)cc1C ZINC000775701447 1135533267 /nfs/dbraw/zinc/53/32/67/1135533267.db2.gz WMYZQVGBDBXJLX-SSDOTTSWSA-N -1 1 328.825 3.803 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000747397542 1135543359 /nfs/dbraw/zinc/54/33/59/1135543359.db2.gz QYTHZMNHZREECW-BBRMVZONSA-N -1 1 339.439 3.632 20 0 EHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccc(Cl)cc1F ZINC001197599928 1135712965 /nfs/dbraw/zinc/71/29/65/1135712965.db2.gz DUTWODKNXLIHTQ-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM COc1cccc2c1n[nH]c2C(=O)OCc1cc(-c2ccccc2)on1 ZINC000808677125 1135715037 /nfs/dbraw/zinc/71/50/37/1135715037.db2.gz YUJFTYAAAHQYIE-UHFFFAOYSA-N -1 1 349.346 3.584 20 0 EHADMM CCOCCCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000867251437 1135760793 /nfs/dbraw/zinc/76/07/93/1135760793.db2.gz CWAYALDJIKSRID-UHFFFAOYSA-N -1 1 344.249 3.999 20 0 EHADMM Cc1ccccc1NC(=S)Nc1ncc(Br)cc1[O-] ZINC001198396549 1135815040 /nfs/dbraw/zinc/81/50/40/1135815040.db2.gz NFTHWBHUHULDLC-UHFFFAOYSA-N -1 1 338.230 3.667 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Oc2cccnc2)cc1 ZINC000809302446 1135818404 /nfs/dbraw/zinc/81/84/04/1135818404.db2.gz GGJOKKGRPOZHBM-SNVBAGLBSA-N -1 1 342.292 3.952 20 0 EHADMM C[C@H]1Oc2ccccc2[C@H]1[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000809338040 1135828348 /nfs/dbraw/zinc/82/83/48/1135828348.db2.gz BNAAUGXBKNZGOE-PSLIRLAXSA-N -1 1 339.288 3.695 20 0 EHADMM Cc1cc2nsnc2cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198869673 1135864704 /nfs/dbraw/zinc/86/47/04/1135864704.db2.gz ZCJMHLAVQZBSHG-UHFFFAOYSA-N -1 1 345.405 3.547 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)nc(Cl)c2)c(C)c1 ZINC001198904923 1135868643 /nfs/dbraw/zinc/86/86/43/1135868643.db2.gz FDECFZRGPSTGMO-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM COc1cnc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001199258710 1135890895 /nfs/dbraw/zinc/89/08/95/1135890895.db2.gz CJZGKSINPKBJIT-UHFFFAOYSA-N -1 1 346.692 3.720 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)cc1Cl ZINC000776091510 1135952846 /nfs/dbraw/zinc/95/28/46/1135952846.db2.gz NSYQBKKOBIOGHX-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM O=C(Oc1ccc2c(c1)CC(=O)N2)c1cc2cc(Cl)sc2[n-]1 ZINC000810824263 1136010309 /nfs/dbraw/zinc/01/03/09/1136010309.db2.gz WOKPPYAUPSSARX-UHFFFAOYSA-N -1 1 332.768 3.597 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1cccc(Cl)c1 ZINC001202239787 1136118928 /nfs/dbraw/zinc/11/89/28/1136118928.db2.gz UJRWYZOSKYBPHC-UHFFFAOYSA-N -1 1 328.759 3.875 20 0 EHADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000811835853 1136143141 /nfs/dbraw/zinc/14/31/41/1136143141.db2.gz RCPODDWJRDWIEO-UHFFFAOYSA-N -1 1 336.844 3.723 20 0 EHADMM O=C(CCCc1cccs1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000006395631 1136172237 /nfs/dbraw/zinc/17/22/37/1136172237.db2.gz RCEDHOPNFDFTAD-UHFFFAOYSA-N -1 1 344.388 3.626 20 0 EHADMM CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccn1 ZINC000776478730 1136282998 /nfs/dbraw/zinc/28/29/98/1136282998.db2.gz BEESGALEDGIJDF-HNNXBMFYSA-N -1 1 338.329 3.933 20 0 EHADMM COc1cccc(CC2(C(=O)[N-]OCC(F)F)CCCCC2)c1 ZINC000813517454 1136341136 /nfs/dbraw/zinc/34/11/36/1136341136.db2.gz NZSLUEUOVJZATQ-UHFFFAOYSA-N -1 1 327.371 3.501 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(NC(=O)C2CC2)c1 ZINC000111666698 1136570108 /nfs/dbraw/zinc/57/01/08/1136570108.db2.gz JIFVUSFWXXSVKE-UHFFFAOYSA-N -1 1 330.771 3.646 20 0 EHADMM CNC(=O)c1ccc(CN(Cc2cccc([O-])c2Cl)C2CC2)cc1 ZINC000816488070 1136724072 /nfs/dbraw/zinc/72/40/72/1136724072.db2.gz HNCUIINKRZHVFQ-UHFFFAOYSA-N -1 1 344.842 3.570 20 0 EHADMM S=c1[n-]nc(-c2cccs2)n1Cc1nc(-c2ccsc2)no1 ZINC000113706087 1136735016 /nfs/dbraw/zinc/73/50/16/1136735016.db2.gz YAZOOUWPZWVETO-UHFFFAOYSA-N -1 1 347.450 3.829 20 0 EHADMM CN(C[C@H]1CC1(C)C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000856460730 1136786940 /nfs/dbraw/zinc/78/69/40/1136786940.db2.gz ZCIXOUWSKSMJRK-GFCCVEGCSA-N -1 1 348.443 3.857 20 0 EHADMM CCN(CC)[C@@H](C(=O)[N-]OCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000817358669 1136798746 /nfs/dbraw/zinc/79/87/46/1136798746.db2.gz XVIVWDBTLZUFTM-OAHLLOKOSA-N -1 1 344.377 3.546 20 0 EHADMM CCCc1ccccc1OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000857070156 1136840665 /nfs/dbraw/zinc/84/06/65/1136840665.db2.gz AQYBIQXTYBPDPB-UHFFFAOYSA-N -1 1 346.452 3.703 20 0 EHADMM O=C(Nc1ccc(OC(F)F)cn1)c1cc2ccccc2cc1[O-] ZINC000857510943 1136879122 /nfs/dbraw/zinc/87/91/22/1136879122.db2.gz AMXJTVQTVSNGAG-UHFFFAOYSA-N -1 1 330.290 3.794 20 0 EHADMM O=C(NCc1ccc(OC(F)F)c(F)c1)c1c([O-])cccc1Cl ZINC000818528569 1136879395 /nfs/dbraw/zinc/87/93/95/1136879395.db2.gz XKJZMOXDJGBCLB-UHFFFAOYSA-N -1 1 345.704 3.716 20 0 EHADMM Cc1ccc(O[C@@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)nc1 ZINC000858063820 1136937048 /nfs/dbraw/zinc/93/70/48/1136937048.db2.gz SDWZXKWMXYRZRT-QGZVFWFLSA-N -1 1 348.402 3.542 20 0 EHADMM O=C(OCc1ncc(Cl)cc1Cl)c1c([O-])cc(F)cc1F ZINC000777071585 1136997774 /nfs/dbraw/zinc/99/77/74/1136997774.db2.gz KKCIZKLJFVKBIY-UHFFFAOYSA-N -1 1 334.105 3.729 20 0 EHADMM O=C([N-]Cc1nc(C2CC2)cs1)C(F)(F)c1cc(F)cc(F)c1 ZINC000821013929 1137015706 /nfs/dbraw/zinc/01/57/06/1137015706.db2.gz VPNTTYRTBRETRW-UHFFFAOYSA-N -1 1 344.333 3.707 20 0 EHADMM COc1ccc2c(c1)CCCN(C(=O)c1ncc3ccccc3c1[O-])C2 ZINC001136637714 1137076476 /nfs/dbraw/zinc/07/64/76/1137076476.db2.gz ADNBVGQHISTCAV-UHFFFAOYSA-N -1 1 348.402 3.538 20 0 EHADMM CC(C)CCc1nnc([N-]C(=O)c2cc(Cl)ncc2F)s1 ZINC000824684423 1137148211 /nfs/dbraw/zinc/14/82/11/1137148211.db2.gz RTCSOFBNCLOTCJ-UHFFFAOYSA-N -1 1 328.800 3.567 20 0 EHADMM CC(C)c1cc(NC(=O)c2cc(Br)ccc2[O-])no1 ZINC001137046113 1137180554 /nfs/dbraw/zinc/18/05/54/1137180554.db2.gz HNUBCWQHCUOBOE-UHFFFAOYSA-N -1 1 325.162 3.518 20 0 EHADMM CCC[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001143704040 1137192250 /nfs/dbraw/zinc/19/22/50/1137192250.db2.gz YCROVJMBQHSPAK-QGZVFWFLSA-N -1 1 325.408 3.654 20 0 EHADMM CC[C@H](C)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000119542703 1137193360 /nfs/dbraw/zinc/19/33/60/1137193360.db2.gz SEUCGUUWUDLSSW-NSHDSACASA-N -1 1 342.420 3.741 20 0 EHADMM Cc1ccc(-c2ccc(CN[C@@H](COC(C)C)C(=O)[O-])s2)cc1 ZINC000864517253 1137231592 /nfs/dbraw/zinc/23/15/92/1137231592.db2.gz BKZXOUWABLMIRO-INIZCTEOSA-N -1 1 333.453 3.691 20 0 EHADMM CCCC(C)(C)C(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001144115853 1137240130 /nfs/dbraw/zinc/24/01/30/1137240130.db2.gz OQCKESMNLXETOC-UHFFFAOYSA-N -1 1 330.222 3.928 20 0 EHADMM COc1cccc(O[C@H]2CCCN(Cc3cc(F)c([O-])cc3F)C2)c1 ZINC001144666529 1137324569 /nfs/dbraw/zinc/32/45/69/1137324569.db2.gz MJSKEDNCZXGEDN-INIZCTEOSA-N -1 1 349.377 3.722 20 0 EHADMM [O-]c1cc(F)c(CN2Cc3cccc(Br)c3C2)cc1F ZINC001144666442 1137325003 /nfs/dbraw/zinc/32/50/03/1137325003.db2.gz IOIRCTSEVYHZLU-UHFFFAOYSA-N -1 1 340.167 3.949 20 0 EHADMM Cc1cccc(C)c1N1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144663866 1137325068 /nfs/dbraw/zinc/32/50/68/1137325068.db2.gz MEKSEMLULABSBJ-UHFFFAOYSA-N -1 1 332.394 3.609 20 0 EHADMM [O-]c1cc(F)c(CN2CC3(CC(OCc4ccccc4)C3)C2)cc1F ZINC001144659944 1137327114 /nfs/dbraw/zinc/32/71/14/1137327114.db2.gz RGBNHJWULNHERF-UHFFFAOYSA-N -1 1 345.389 3.852 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2(c3ccccc3F)CCC2)c1 ZINC001144788324 1137348632 /nfs/dbraw/zinc/34/86/32/1137348632.db2.gz SGFMFVVJYSPJGT-UHFFFAOYSA-N -1 1 341.382 3.504 20 0 EHADMM COc1c(C)cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2F)cc1C ZINC000846778690 1137365070 /nfs/dbraw/zinc/36/50/70/1137365070.db2.gz JERXKBQQLMUZHT-MRXNPFEDSA-N -1 1 335.350 3.506 20 0 EHADMM O=C([O-])[C@H](CCF)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000846783875 1137365556 /nfs/dbraw/zinc/36/55/56/1137365556.db2.gz SEHPHKIIDPNIRU-ZDUSSCGKSA-N -1 1 345.292 3.868 20 0 EHADMM CCCCC[C@H](C(=O)Nc1ccc(OCc2nn[n-]n2)cc1)C(C)C ZINC001147001294 1137398102 /nfs/dbraw/zinc/39/81/02/1137398102.db2.gz ZGPQLZINNKDMBS-INIZCTEOSA-N -1 1 345.447 3.570 20 0 EHADMM O=C(NC1(c2cccc(F)c2)CC1)c1c([O-])cnc2c(F)cccc21 ZINC001147389921 1137405766 /nfs/dbraw/zinc/40/57/66/1137405766.db2.gz BKPPWNBZHHTAFO-UHFFFAOYSA-N -1 1 340.329 3.638 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N(C)CCCc3ccccc3)cc2)[n-]1 ZINC001148330451 1137422678 /nfs/dbraw/zinc/42/26/78/1137422678.db2.gz QNBHQWWIGODQMA-UHFFFAOYSA-N -1 1 349.434 3.504 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N3Cc4ccccc4[C@@H](C)C3)cc2)[n-]1 ZINC001148329289 1137422698 /nfs/dbraw/zinc/42/26/98/1137422698.db2.gz NDDFMOFWOJUWHR-AWEZNQCLSA-N -1 1 347.418 3.559 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)[C@]12C[C@H]1CCCC2 ZINC001171334480 1137428350 /nfs/dbraw/zinc/42/83/50/1137428350.db2.gz YMWPVZQIUUBYCL-CRTZDJKQSA-N -1 1 328.387 3.778 20 0 EHADMM C[C@@]1(CCNC(=O)NCc2ccc([O-])c(Cl)c2)C[C@]1(F)Cl ZINC000873055515 1137589123 /nfs/dbraw/zinc/58/91/23/1137589123.db2.gz IWCIHIIWSAIZOG-ZIAGYGMSSA-N -1 1 335.206 3.550 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@H](c1ccccn1)C1CCC1 ZINC000873081094 1137589748 /nfs/dbraw/zinc/58/97/48/1137589748.db2.gz YBKJBIICYCLMQD-KRWDZBQOSA-N -1 1 345.830 3.781 20 0 EHADMM Cc1csc([C@@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)n1 ZINC000874490524 1137615744 /nfs/dbraw/zinc/61/57/44/1137615744.db2.gz GKIVOTQOPFJOTH-CQSZACIVSA-N -1 1 338.432 3.940 20 0 EHADMM COc1cccc2c1CC[C@@H]2NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000875379992 1137632669 /nfs/dbraw/zinc/63/26/69/1137632669.db2.gz XSKICLXCBIRFKH-HNNXBMFYSA-N -1 1 346.814 3.541 20 0 EHADMM COc1ccc(C(=O)[N-]C(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000021236255 1137638084 /nfs/dbraw/zinc/63/80/84/1137638084.db2.gz PQIKWCLRRFQRRF-UHFFFAOYSA-N -1 1 349.839 3.538 20 0 EHADMM CC(=O)c1ccccc1[N-]S(=O)(=O)C=Cc1ccccc1Cl ZINC000209659577 1137732721 /nfs/dbraw/zinc/73/27/21/1137732721.db2.gz RIJTXXVLCCPVAJ-KHPPLWFESA-N -1 1 335.812 3.955 20 0 EHADMM CCO[C@@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)C ZINC001137183105 1137842952 /nfs/dbraw/zinc/84/29/52/1137842952.db2.gz DAYXXFNLPDOURH-AWEZNQCLSA-N -1 1 333.350 3.592 20 0 EHADMM CCS[C@@H]1CCC[C@H](NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001137193390 1137865973 /nfs/dbraw/zinc/86/59/73/1137865973.db2.gz QFIOZCIYGFXIMP-NWDGAFQWSA-N -1 1 348.443 3.874 20 0 EHADMM Cc1ccc([C@@H](CNC(=O)c2ccc([O-])c(Cl)c2)N2CCCC2)o1 ZINC000101678658 1137871267 /nfs/dbraw/zinc/87/12/67/1137871267.db2.gz NWPDDDZMMILCQD-OAHLLOKOSA-N -1 1 348.830 3.514 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000111666391 1137905105 /nfs/dbraw/zinc/90/51/05/1137905105.db2.gz QHGFRPGRRWFLEO-HNNXBMFYSA-N -1 1 347.798 3.856 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000111666542 1137905118 /nfs/dbraw/zinc/90/51/18/1137905118.db2.gz VXCUAIGJDITKNH-OAHLLOKOSA-N -1 1 347.798 3.856 20 0 EHADMM Cc1cnc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000332393395 1137942477 /nfs/dbraw/zinc/94/24/77/1137942477.db2.gz NFGNTWDUMAHZSL-UHFFFAOYSA-N -1 1 348.805 3.850 20 0 EHADMM CCCCCCOC(=O)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC001137218016 1137998071 /nfs/dbraw/zinc/99/80/71/1137998071.db2.gz ODZPUQNCFROBSS-UHFFFAOYSA-N -1 1 342.395 3.777 20 0 EHADMM O=C1CCC[C@H](c2cccc(NCc3cccc([O-])c3Cl)c2)N1 ZINC000886373504 1138072138 /nfs/dbraw/zinc/07/21/38/1138072138.db2.gz UWUVVCMQPMWTEC-OAHLLOKOSA-N -1 1 330.815 3.999 20 0 EHADMM Cc1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cc1 ZINC000068446943 1138084849 /nfs/dbraw/zinc/08/48/49/1138084849.db2.gz PADYWUOZZFXMMG-UHFFFAOYSA-N -1 1 344.484 3.850 20 0 EHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000337774868 1138665207 /nfs/dbraw/zinc/66/52/07/1138665207.db2.gz WZOHTKQPISRKGC-GFCCVEGCSA-N -1 1 337.466 3.917 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000337850304 1138681577 /nfs/dbraw/zinc/68/15/77/1138681577.db2.gz JBPLIELCVZJKGM-UHFFFAOYSA-N -1 1 346.433 3.864 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000180469089 1139837205 /nfs/dbraw/zinc/83/72/05/1139837205.db2.gz RGGJXMPUIVVMTI-LBPRGKRZSA-N -1 1 339.317 3.502 20 0 EHADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1nc(C)cs1 ZINC000182046661 1139946852 /nfs/dbraw/zinc/94/68/52/1139946852.db2.gz UJYRIMZRGAKVPY-UHFFFAOYSA-N -1 1 330.331 3.843 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)CC[C@@H]2CCCCO2)c1 ZINC000182928020 1140002176 /nfs/dbraw/zinc/00/21/76/1140002176.db2.gz PGFMVKDFGDARCZ-NSHDSACASA-N -1 1 342.233 3.751 20 0 EHADMM CCOc1cc(C(=O)N(C)CCc2cccs2)cc(Cl)c1[O-] ZINC000186839298 1140224483 /nfs/dbraw/zinc/22/44/83/1140224483.db2.gz HQEFVHUSFHGQLI-UHFFFAOYSA-N -1 1 339.844 3.821 20 0 EHADMM CCOc1cc(C(=O)NCCCCCSC)cc(Cl)c1[O-] ZINC000186943185 1140229228 /nfs/dbraw/zinc/22/92/28/1140229228.db2.gz UFVMVYDXMLPBKU-UHFFFAOYSA-N -1 1 331.865 3.707 20 0 EHADMM CC[C@](C)([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1nccs1 ZINC000270175172 1141188285 /nfs/dbraw/zinc/18/82/85/1141188285.db2.gz DBFGOTQAHWEGJT-AWEZNQCLSA-N -1 1 346.349 3.955 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@H](CC)CSC)cc(Cl)c1[O-] ZINC000273875964 1141437781 /nfs/dbraw/zinc/43/77/81/1141437781.db2.gz RDFGKGQOQHEWJL-LLVKDONJSA-N -1 1 331.865 3.658 20 0 EHADMM C[C@H](CNC(=O)c1cncc([O-])c1)c1c(Cl)cccc1Cl ZINC000348842194 1141594361 /nfs/dbraw/zinc/59/43/61/1141594361.db2.gz FKNPESWWHIQPEF-SECBINFHSA-N -1 1 325.195 3.628 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC000003581240 210058452 /nfs/dbraw/zinc/05/84/52/210058452.db2.gz KLMCGHBTVPEKRD-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)[nH]n1 ZINC000097146193 563968254 /nfs/dbraw/zinc/96/82/54/563968254.db2.gz BSSRDYZKJUEAEW-VIFPVBQESA-N -1 1 345.827 3.907 20 0 EHADMM CC(C)(CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000735671330 599230661 /nfs/dbraw/zinc/23/06/61/599230661.db2.gz UJCXJOUNLSNXCJ-UHFFFAOYSA-N -1 1 348.863 3.657 20 0 EHADMM CC(C)(CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000735671330 599230664 /nfs/dbraw/zinc/23/06/64/599230664.db2.gz UJCXJOUNLSNXCJ-UHFFFAOYSA-N -1 1 348.863 3.657 20 0 EHADMM CCc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)s1 ZINC000821487077 599478070 /nfs/dbraw/zinc/47/80/70/599478070.db2.gz PWFAAKBNFJNEPT-UHFFFAOYSA-N -1 1 336.424 3.651 20 0 EHADMM CCc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)s1 ZINC000821487077 599478073 /nfs/dbraw/zinc/47/80/73/599478073.db2.gz PWFAAKBNFJNEPT-UHFFFAOYSA-N -1 1 336.424 3.651 20 0 EHADMM Cc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000822229010 599486213 /nfs/dbraw/zinc/48/62/13/599486213.db2.gz KLIMLSZUWCNFME-ZDUSSCGKSA-N -1 1 330.395 3.896 20 0 EHADMM Cc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000822229010 599486214 /nfs/dbraw/zinc/48/62/14/599486214.db2.gz KLIMLSZUWCNFME-ZDUSSCGKSA-N -1 1 330.395 3.896 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1F)c1ccccc1 ZINC000050509485 599758257 /nfs/dbraw/zinc/75/82/57/599758257.db2.gz CVBITMNGLMTEGK-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc(OC(F)(F)F)cc1 ZINC000574458769 599846814 /nfs/dbraw/zinc/84/68/14/599846814.db2.gz VEKQMKYZTRTGHA-UHFFFAOYSA-N -1 1 329.274 3.508 20 0 EHADMM CC(C)(NCc1cc(C(=O)[O-])co1)c1ccc(Br)cc1 ZINC000228164947 599848452 /nfs/dbraw/zinc/84/84/52/599848452.db2.gz HZJQNDZRZHTEDB-UHFFFAOYSA-N -1 1 338.201 3.765 20 0 EHADMM CCC[C@@H](NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccccn1 ZINC000736972011 599859576 /nfs/dbraw/zinc/85/95/76/599859576.db2.gz FOKSKJZDAYWIBC-QGZVFWFLSA-N -1 1 342.439 3.793 20 0 EHADMM C[C@@H](CN(Cc1csc(-c2ccc(F)cc2)n1)C1CC1)C(=O)[O-] ZINC000565308937 599949409 /nfs/dbraw/zinc/94/94/09/599949409.db2.gz DUBWQFBHEUKGLU-NSHDSACASA-N -1 1 334.416 3.634 20 0 EHADMM C[C@H](CN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC1)C(=O)[O-] ZINC000568072889 599950786 /nfs/dbraw/zinc/95/07/86/599950786.db2.gz PDHANFHRZYGTJD-LLVKDONJSA-N -1 1 334.803 3.680 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000237041337 600010857 /nfs/dbraw/zinc/01/08/57/600010857.db2.gz LGCARPRPPSKEAG-GOSISDBHSA-N -1 1 340.423 3.715 20 0 EHADMM COc1ccc2nc(SCc3ccc(F)cc3C(=O)[O-])[nH]c2c1 ZINC000320807823 600057922 /nfs/dbraw/zinc/05/79/22/600057922.db2.gz ZJTSUBFPCNZUGG-UHFFFAOYSA-N -1 1 332.356 3.701 20 0 EHADMM Cc1cc(CN2CCC(Oc3ccc(C)cc3)CC2)oc1C(=O)[O-] ZINC000568098567 600262135 /nfs/dbraw/zinc/26/21/35/600262135.db2.gz JQERXXZUFKSOBX-UHFFFAOYSA-N -1 1 329.396 3.638 20 0 EHADMM O=C([O-])CCCOc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1 ZINC000739686899 600484159 /nfs/dbraw/zinc/48/41/59/600484159.db2.gz YAFBONLEOXYDKM-UHFFFAOYSA-N -1 1 349.770 3.542 20 0 EHADMM Cc1cc(CN2CCS[C@H](C)[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000738384688 600490320 /nfs/dbraw/zinc/49/03/20/600490320.db2.gz GRTLTGRGZCVLQB-CZUORRHYSA-N -1 1 331.437 3.965 20 0 EHADMM Cc1ccc(-c2cc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)[nH]n2)cc1 ZINC000832906055 600696806 /nfs/dbraw/zinc/69/68/06/600696806.db2.gz PCTQRIWEUQTLMK-UHFFFAOYSA-N -1 1 346.346 3.800 20 0 EHADMM COc1cc(C)c([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000831961628 600738622 /nfs/dbraw/zinc/73/86/22/600738622.db2.gz IOAUUGADLIKDQI-KPZWWZAWSA-N -1 1 347.386 3.628 20 0 EHADMM Cc1ccccc1[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)[C@H](C)CO1 ZINC000263577506 600833165 /nfs/dbraw/zinc/83/31/65/600833165.db2.gz RNFQBWMNMNOWME-DNVCBOLYSA-N -1 1 325.408 3.655 20 0 EHADMM Cc1nc(C2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)sc1C ZINC000832997187 601625877 /nfs/dbraw/zinc/62/58/77/601625877.db2.gz STIHGTOSMGBMCE-UHFFFAOYSA-N -1 1 348.443 3.977 20 0 EHADMM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccsc1C(=O)[O-] ZINC000652408370 601821349 /nfs/dbraw/zinc/82/13/49/601821349.db2.gz FBELXEOVNAPZCU-HNNXBMFYSA-N -1 1 331.437 3.798 20 0 EHADMM Cc1ccccc1-c1cnc(CN2CCC(CCC(=O)[O-])CC2)o1 ZINC000569230665 601842085 /nfs/dbraw/zinc/84/20/85/601842085.db2.gz VBUAAZFIDRHKSC-UHFFFAOYSA-N -1 1 328.412 3.727 20 0 EHADMM C[C@@H](NC(=O)[O-])C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000739015763 602444946 /nfs/dbraw/zinc/44/49/46/602444946.db2.gz QSASHQWNBROBDN-LLVKDONJSA-N -1 1 330.350 3.574 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000829820843 603476676 /nfs/dbraw/zinc/47/66/76/603476676.db2.gz KAKZDBCGJVWSHT-UHFFFAOYSA-N -1 1 337.335 3.694 20 0 EHADMM CC(C)Oc1ccccc1[C@H](C)NCc1ccc(NC(=O)[O-])nc1 ZINC000824424478 603536974 /nfs/dbraw/zinc/53/69/74/603536974.db2.gz AXYONSZRKVYDOM-ZDUSSCGKSA-N -1 1 329.400 3.810 20 0 EHADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000825256521 604195887 /nfs/dbraw/zinc/19/58/87/604195887.db2.gz YONXMCQCBFELII-OFQRWUPVSA-N -1 1 343.427 3.771 20 0 EHADMM CC(C)(C)c1ncc(CN(CCC(=O)[O-])Cc2ccccc2)s1 ZINC000833450638 604541548 /nfs/dbraw/zinc/54/15/48/604541548.db2.gz GWBWIRVIOSHIGU-UHFFFAOYSA-N -1 1 332.469 3.918 20 0 EHADMM CN(Cc1cc(Br)cs1)Cc1ccccc1C(=O)[O-] ZINC000042399808 604575099 /nfs/dbraw/zinc/57/50/99/604575099.db2.gz WMDGTUOZSLAAFP-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM Cc1cc([C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)oc1C(=O)[O-] ZINC000832872814 604704612 /nfs/dbraw/zinc/70/46/12/604704612.db2.gz AQSKCHUVNDOIFN-SNVBAGLBSA-N -1 1 329.381 3.925 20 0 EHADMM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H]2c2nc3ccccc3s2)O1 ZINC000833585449 604824067 /nfs/dbraw/zinc/82/40/67/604824067.db2.gz SMFHHVODYLBQGV-IUODEOHRSA-N -1 1 344.436 3.581 20 0 EHADMM CCC[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833647995 604867073 /nfs/dbraw/zinc/86/70/73/604867073.db2.gz MYFZPYMQKPITEQ-CYBMUJFWSA-N -1 1 337.379 3.784 20 0 EHADMM CCc1ccc([C@@H](C)C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC000833670504 605059353 /nfs/dbraw/zinc/05/93/53/605059353.db2.gz NCDKRNFXAZWCJF-LLVKDONJSA-N -1 1 337.379 3.566 20 0 EHADMM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)[O-])CC1 ZINC000563276909 605061701 /nfs/dbraw/zinc/06/17/01/605061701.db2.gz HPJCJJNGCVCVAP-LLVKDONJSA-N -1 1 334.803 3.853 20 0 EHADMM O=C([O-])N[C@@H]1C[C@@H](NCc2ccccc2OC(F)F)c2ccccc21 ZINC000834158164 605789389 /nfs/dbraw/zinc/78/93/89/605789389.db2.gz NEONANVAPHQVAE-HUUCEWRRSA-N -1 1 348.349 3.831 20 0 EHADMM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CCOc3ccc(F)cc32)c2ccccc21 ZINC000834156353 605801775 /nfs/dbraw/zinc/80/17/75/605801775.db2.gz BEESFLOWWYFNPN-BRWVUGGUSA-N -1 1 342.370 3.693 20 0 EHADMM CC(C)[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000820028227 606442883 /nfs/dbraw/zinc/44/28/83/606442883.db2.gz XARHQDKUPAWNFY-CQSZACIVSA-N -1 1 328.807 3.724 20 0 EHADMM CC(C)[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000820028227 606442885 /nfs/dbraw/zinc/44/28/85/606442885.db2.gz XARHQDKUPAWNFY-CQSZACIVSA-N -1 1 328.807 3.724 20 0 EHADMM c1ccc(C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)cc1 ZINC000823780959 606449472 /nfs/dbraw/zinc/44/94/72/606449472.db2.gz XHOAJQMUEMSFPM-GOSISDBHSA-N -1 1 342.406 3.658 20 0 EHADMM c1ccc(C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC000823780959 606449473 /nfs/dbraw/zinc/44/94/73/606449473.db2.gz XHOAJQMUEMSFPM-GOSISDBHSA-N -1 1 342.406 3.658 20 0 EHADMM c1cc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cs1 ZINC000823791863 606456375 /nfs/dbraw/zinc/45/63/75/606456375.db2.gz KYTJWKNESDQDCW-INIZCTEOSA-N -1 1 348.435 3.818 20 0 EHADMM c1cc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cs1 ZINC000823791863 606456377 /nfs/dbraw/zinc/45/63/77/606456377.db2.gz KYTJWKNESDQDCW-INIZCTEOSA-N -1 1 348.435 3.818 20 0 EHADMM CC(C)(C)[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC000824072511 946578039 /nfs/dbraw/zinc/57/80/39/946578039.db2.gz WHCHLVBGXMUPTN-HNNXBMFYSA-N -1 1 344.369 3.739 20 0 EHADMM CC(C)(C)[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000824072511 946578044 /nfs/dbraw/zinc/57/80/44/946578044.db2.gz WHCHLVBGXMUPTN-HNNXBMFYSA-N -1 1 344.369 3.739 20 0 EHADMM CC(C)[C@@H]1CCC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001574093599 949110307 /nfs/dbraw/zinc/11/03/07/949110307.db2.gz WLFDYHSRDKSQFN-BDAKNGLRSA-N -1 1 326.857 3.603 20 0 EHADMM C[C@@H](c1ccccc1)c1ccc(Oc2ncncc2-c2nnn[n-]2)cc1 ZINC001575515847 949199517 /nfs/dbraw/zinc/19/95/17/949199517.db2.gz LNNNBGPFUFTUHP-ZDUSSCGKSA-N -1 1 344.378 3.601 20 0 EHADMM C[C@@H](c1ccccc1)c1ccc(Oc2ncncc2-c2nn[n-]n2)cc1 ZINC001575515847 949199525 /nfs/dbraw/zinc/19/95/25/949199525.db2.gz LNNNBGPFUFTUHP-ZDUSSCGKSA-N -1 1 344.378 3.601 20 0 EHADMM C[C@H]1CN(Cc2cc(Cl)cc(Br)c2)CC[C@H]1C(=O)[O-] ZINC001589400293 954416950 /nfs/dbraw/zinc/41/69/50/954416950.db2.gz ZZWNTSAITDKNGD-TVQRCGJNSA-N -1 1 346.652 3.645 20 0 EHADMM COC[C@H](NCc1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000903687714 956867095 /nfs/dbraw/zinc/86/70/95/956867095.db2.gz KHPACCNORQNHRQ-ZDUSSCGKSA-N -1 1 325.817 3.577 20 0 EHADMM COc1cc2c(cc1OC)[C@@H](C)N(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC001594069483 958169199 /nfs/dbraw/zinc/16/91/99/958169199.db2.gz INJDTZVAJHRRNY-CYBMUJFWSA-N -1 1 341.407 3.521 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(F)cc(Br)c2)C1 ZINC000093996278 958259854 /nfs/dbraw/zinc/25/98/54/958259854.db2.gz HQCDMRFMWRSNIM-NSHDSACASA-N -1 1 344.224 3.665 20 0 EHADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(Br)ccc1Cl ZINC000236427190 960581578 /nfs/dbraw/zinc/58/15/78/960581578.db2.gz GNVCIBRSJFLCAW-LBPRGKRZSA-N -1 1 346.652 3.932 20 0 EHADMM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)c2cccs2)CC1 ZINC001327336800 961154596 /nfs/dbraw/zinc/15/45/96/961154596.db2.gz KFVCUORKLFACJX-UHFFFAOYSA-N -1 1 349.477 3.911 20 0 EHADMM Cc1ccc(CN[C@@](C)(C(=O)[O-])c2ccccc2)c(Br)c1 ZINC001334777926 961822226 /nfs/dbraw/zinc/82/22/26/961822226.db2.gz DIXMQVWTLSXDRF-QGZVFWFLSA-N -1 1 348.240 3.847 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000263061047 967841550 /nfs/dbraw/zinc/84/15/50/967841550.db2.gz MSKHCZWPOXPARC-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000652497160 968636735 /nfs/dbraw/zinc/63/67/35/968636735.db2.gz NGDSPGMZYQBMLT-WOPDTQHZSA-N -1 1 337.370 3.535 20 0 EHADMM CCN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)Cc1cccs1 ZINC000904191329 969599983 /nfs/dbraw/zinc/59/99/83/969599983.db2.gz QSIVOCKRLZSHDM-UHFFFAOYSA-N -1 1 348.468 3.664 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(F)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000426725864 974046197 /nfs/dbraw/zinc/04/61/97/974046197.db2.gz FQBMNAWCPOIKBY-CQSZACIVSA-N -1 1 329.705 3.673 20 0 EHADMM Cc1oc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1C(=O)[O-] ZINC000516872603 974311202 /nfs/dbraw/zinc/31/12/02/974311202.db2.gz IEXSCGHZKQTWEV-KRWDZBQOSA-N -1 1 343.423 3.510 20 0 EHADMM Cc1oc(CN2CC[C@H](OCCCc3ccccc3)C2)cc1C(=O)[O-] ZINC000516872603 974311210 /nfs/dbraw/zinc/31/12/10/974311210.db2.gz IEXSCGHZKQTWEV-KRWDZBQOSA-N -1 1 343.423 3.510 20 0 EHADMM CCOc1ccc(-c2nc(CN(CC)CCC(=O)[O-])cs2)cc1 ZINC000573499420 974766247 /nfs/dbraw/zinc/76/62/47/974766247.db2.gz JSCILTMDTRUDDH-UHFFFAOYSA-N -1 1 334.441 3.505 20 0 EHADMM CCN(Cc1ccc2c(c1)OCO2)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000573809405 974771484 /nfs/dbraw/zinc/77/14/84/974771484.db2.gz ZHHNWSKGKWCNOU-LBPRGKRZSA-N -1 1 331.368 3.598 20 0 EHADMM COCc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])sc2C)o1 ZINC000575875041 974802837 /nfs/dbraw/zinc/80/28/37/974802837.db2.gz QIOKLSSWKZGDSZ-CQSZACIVSA-N -1 1 335.425 3.831 20 0 EHADMM O=C([O-])CC1(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000575929198 974803983 /nfs/dbraw/zinc/80/39/83/974803983.db2.gz RWFMYXPENPCTHR-OAHLLOKOSA-N -1 1 341.411 3.519 20 0 EHADMM O=C([O-])c1ccc(CN2CCCC(F)(F)CC2)c(Br)c1 ZINC000629368118 975086407 /nfs/dbraw/zinc/08/64/07/975086407.db2.gz KMGUFZWWMHULGA-UHFFFAOYSA-N -1 1 348.187 3.769 20 0 EHADMM COc1ccc(Cl)cc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656766092 975699537 /nfs/dbraw/zinc/69/95/37/975699537.db2.gz QAZUVDFFJGDUFB-HRCADAONSA-N -1 1 337.847 3.814 20 0 EHADMM CC(C)Oc1ccc(CNc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001591775421 975919073 /nfs/dbraw/zinc/91/90/73/975919073.db2.gz SNUDXWPYGNHCBB-UHFFFAOYSA-N -1 1 325.368 3.660 20 0 EHADMM CC(C)Oc1ccccc1CN[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001591801963 976019646 /nfs/dbraw/zinc/01/96/46/976019646.db2.gz YKTHKFDFPQWOTH-OAHLLOKOSA-N -1 1 343.423 3.788 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1F)c1cccc(Br)c1 ZINC000683173176 976079300 /nfs/dbraw/zinc/07/93/00/976079300.db2.gz FZKRKACZHPUNFA-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM O=C(OCCOc1cccc(Cl)c1)c1c([O-])cc(F)cc1F ZINC000063543337 1014371552 /nfs/dbraw/zinc/37/15/52/1014371552.db2.gz MHEQNXYKIQTQTH-UHFFFAOYSA-N -1 1 328.698 3.560 20 0 EHADMM C[C@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1cccc(F)c1 ZINC001592278057 977558911 /nfs/dbraw/zinc/55/89/11/977558911.db2.gz NIHXQCJHFNZZKR-SNVBAGLBSA-N -1 1 341.342 3.533 20 0 EHADMM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1Cl ZINC000827718812 978964301 /nfs/dbraw/zinc/96/43/01/978964301.db2.gz YKNGRUDMBVDEOB-XPTSAGLGSA-N -1 1 325.195 3.865 20 0 EHADMM CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)[C@@H](C)c1ccc(F)cc1 ZINC000901429352 980276909 /nfs/dbraw/zinc/27/69/09/980276909.db2.gz UZTNPJUKRCTPRT-AWEZNQCLSA-N -1 1 347.434 3.697 20 0 EHADMM COc1cc(CN2CCC[C@H](CCC(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC000901551937 980377331 /nfs/dbraw/zinc/37/73/31/980377331.db2.gz KMFGRVUKLVFSBI-GFCCVEGCSA-N -1 1 345.361 3.791 20 0 EHADMM CC[C@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1nc(C)cs1 ZINC001595300671 980434716 /nfs/dbraw/zinc/43/47/16/980434716.db2.gz RQUVKONHSBWKSQ-HNNXBMFYSA-N -1 1 330.453 3.809 20 0 EHADMM COCc1c(C)cc(C)c(CNCc2cc(C)c(C(=O)[O-])o2)c1C ZINC000901936918 980640165 /nfs/dbraw/zinc/64/01/65/980640165.db2.gz GESJCHQJACOEOV-UHFFFAOYSA-N -1 1 331.412 3.648 20 0 EHADMM CCc1oc(CN(C)Cc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000902062353 980717490 /nfs/dbraw/zinc/71/74/90/980717490.db2.gz GFQKCHITZLYEFS-UHFFFAOYSA-N -1 1 339.338 3.774 20 0 EHADMM CC[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1OC(F)F ZINC000902121844 980744923 /nfs/dbraw/zinc/74/49/23/980744923.db2.gz ZDSBKIDRUNGREN-GFCCVEGCSA-N -1 1 325.311 3.820 20 0 EHADMM O=C([O-])c1coc(CN2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC000902366037 980855822 /nfs/dbraw/zinc/85/58/22/980855822.db2.gz JSWBFOWTUIEGDB-CYBMUJFWSA-N -1 1 349.814 3.922 20 0 EHADMM CCCC[C@H](C(=O)[O-])N1CCc2cc(F)c(Br)cc2C1 ZINC001595628186 981782790 /nfs/dbraw/zinc/78/27/90/981782790.db2.gz PNWCJAGCGFCPII-CQSZACIVSA-N -1 1 344.224 3.590 20 0 EHADMM CC[C@H](C)N(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC001594967797 982730455 /nfs/dbraw/zinc/73/04/55/982730455.db2.gz BRESSYPPWGUDRK-ZDUSSCGKSA-N -1 1 346.452 3.686 20 0 EHADMM CCCOc1ncccc1CN[C@H](CC)c1ccc(C(=O)[O-])cc1 ZINC001595975004 983206147 /nfs/dbraw/zinc/20/61/47/983206147.db2.gz OUNOWSISCGCSJL-QGZVFWFLSA-N -1 1 328.412 3.810 20 0 EHADMM CCN(Cc1ccc(O[C@H](C)C(=O)[O-])cc1)Cc1ccccc1F ZINC001596364974 983856473 /nfs/dbraw/zinc/85/64/73/983856473.db2.gz SEAPRRXYIFPUIM-CQSZACIVSA-N -1 1 331.387 3.700 20 0 EHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1OC(F)F ZINC001599900962 984825066 /nfs/dbraw/zinc/82/50/66/984825066.db2.gz DOLXQKGZQTYXLR-ISVAXAHUSA-N -1 1 345.342 3.965 20 0 EHADMM CC(C)n1c(CNC(=O)c2c[nH]c3cc(Cl)ccc32)n[n-]c1=S ZINC000066640224 1015097036 /nfs/dbraw/zinc/09/70/36/1015097036.db2.gz WKRPIDQFSCHQDS-UHFFFAOYSA-N -1 1 349.847 3.586 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC[C@@H](CC(C)C)C2)c(C)c1C(=O)[O-] ZINC001599946023 985528400 /nfs/dbraw/zinc/52/84/00/985528400.db2.gz RQKWRBZZFKSPJI-CABCVRRESA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(C(=O)CN(C(C)C)[C@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599948906 985575403 /nfs/dbraw/zinc/57/54/03/985575403.db2.gz TVNCVFXEJLVSGD-OAHLLOKOSA-N -1 1 342.439 3.984 20 0 EHADMM C[C@H]1CN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCC1(F)F ZINC001594503436 985698672 /nfs/dbraw/zinc/69/86/72/985698672.db2.gz YMOPFMQUAQJEDK-CABZTGNLSA-N -1 1 337.288 3.808 20 0 EHADMM Cc1[nH]c2ccc(CN[C@@H](C(=O)[O-])c3ccccc3F)cc2c1C ZINC001599964940 985884589 /nfs/dbraw/zinc/88/45/89/985884589.db2.gz CGZARKKPEIQKLJ-GOSISDBHSA-N -1 1 326.371 3.839 20 0 EHADMM CCc1ccnc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC001597622787 988565065 /nfs/dbraw/zinc/56/50/65/988565065.db2.gz DRFRHUYRQSDYCY-OAHLLOKOSA-N -1 1 339.222 3.866 20 0 EHADMM CC(C)(C)c1ccccc1NC(=O)CN[C@H](C(=O)[O-])C1CCCCC1 ZINC001590505184 990119422 /nfs/dbraw/zinc/11/94/22/990119422.db2.gz DLCJEAXMRQSEAW-SFHVURJKSA-N -1 1 346.471 3.546 20 0 EHADMM CC(C)C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccncc1 ZINC001591184680 991989927 /nfs/dbraw/zinc/98/99/27/991989927.db2.gz YCWGHIYVRYZECK-OAHLLOKOSA-N -1 1 333.819 3.705 20 0 EHADMM CN(Cc1ccc(Cl)c(F)c1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC001598517538 992635743 /nfs/dbraw/zinc/63/57/43/992635743.db2.gz BHNKLCOHEPCZTM-UHFFFAOYSA-N -1 1 325.742 3.948 20 0 EHADMM C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593196692 994157253 /nfs/dbraw/zinc/15/72/53/994157253.db2.gz IFYKSMNHHRQREH-RYUDHWBXSA-N -1 1 335.350 3.840 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H]2C ZINC001599626904 994161337 /nfs/dbraw/zinc/16/13/37/994161337.db2.gz OBLMZJJIGCBENB-LUIPGBGBSA-N -1 1 341.407 3.894 20 0 EHADMM C[C@H](N[C@H]1C[C@H](Oc2ccccc2)C1(C)C)c1ncc(C(=O)[O-])s1 ZINC001593218127 994282417 /nfs/dbraw/zinc/28/24/17/994282417.db2.gz DVTYVNPQGMGILN-CQDKDKBSSA-N -1 1 346.452 3.738 20 0 EHADMM C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C12CCC2)c1ncc(C(=O)[O-])s1 ZINC001593219166 994296336 /nfs/dbraw/zinc/29/63/36/994296336.db2.gz KPVQUSKZXQGGSA-DRZSPHRISA-N -1 1 338.473 3.618 20 0 EHADMM COc1ccc2oc(CN3CCc4cc(C(=O)[O-])ccc4C3)cc2c1 ZINC001599637906 994316038 /nfs/dbraw/zinc/31/60/38/994316038.db2.gz ZMIBXPCKFNWRSI-UHFFFAOYSA-N -1 1 337.375 3.698 20 0 EHADMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000182932331 1015866823 /nfs/dbraw/zinc/86/68/23/1015866823.db2.gz IIXALNPAHIDKME-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1OC(F)F ZINC001593293330 994684445 /nfs/dbraw/zinc/68/44/45/994684445.db2.gz UVQFFFXHWIKSCQ-JTQLQIEISA-N -1 1 339.313 3.976 20 0 EHADMM COc1cccc([C@@]2(C)CCN([C@H](C)c3ncc(C(=O)[O-])s3)C2)c1 ZINC001599663519 994692543 /nfs/dbraw/zinc/69/25/43/994692543.db2.gz WFFLTFYUCHUHMZ-XIKOKIGWSA-N -1 1 346.452 3.575 20 0 EHADMM C[C@H](NCc1ccc2occc2c1)c1ccccc1OCC(=O)[O-] ZINC001593305144 994759984 /nfs/dbraw/zinc/75/99/84/994759984.db2.gz WWZFTHDQJQGFEW-ZDUSSCGKSA-N -1 1 325.364 3.747 20 0 EHADMM C[C@H](NCc1occc1C(=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC001593317869 994825008 /nfs/dbraw/zinc/82/50/08/994825008.db2.gz VZFGEVIBYNZNRE-JTQLQIEISA-N -1 1 343.301 3.770 20 0 EHADMM COc1cccc(OC)c1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC001599680670 994976699 /nfs/dbraw/zinc/97/66/99/994976699.db2.gz DRYJEAWQSAAGSR-UHFFFAOYSA-N -1 1 343.423 3.571 20 0 EHADMM C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccccc1OCC(=O)[O-] ZINC001593354681 994997077 /nfs/dbraw/zinc/99/70/77/994997077.db2.gz WROYHSCVORJADN-CKEIUWERSA-N -1 1 341.407 3.713 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000339928416 1015965916 /nfs/dbraw/zinc/96/59/16/1015965916.db2.gz IFUNLOLBNIWDPG-UHFFFAOYSA-N -1 1 328.387 3.901 20 0 EHADMM COC[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC001599176950 996865110 /nfs/dbraw/zinc/86/51/10/996865110.db2.gz 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CCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000277163479 1023889218 /nfs/dbraw/zinc/88/92/18/1023889218.db2.gz DJFXQFISDPHKGC-KRWDZBQOSA-N -1 1 335.350 3.669 20 0 EHADMM CCC1(CNC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)CCC1 ZINC000176260004 1023940610 /nfs/dbraw/zinc/94/06/10/1023940610.db2.gz ZTPGFCNMLYDXDH-UHFFFAOYSA-N -1 1 344.484 3.613 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccoc2Cl)c1 ZINC000192443587 1024009457 /nfs/dbraw/zinc/00/94/57/1024009457.db2.gz OMWCQNKWJXNPGR-UHFFFAOYSA-N -1 1 330.565 3.962 20 0 EHADMM CCn1c2ccccc2nc1SCC(=O)Nc1c([O-])cccc1F ZINC000608367326 1024021449 /nfs/dbraw/zinc/02/14/49/1024021449.db2.gz WBCWUPBCEHOYBT-UHFFFAOYSA-N -1 1 345.399 3.632 20 0 EHADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000093960960 1024124725 /nfs/dbraw/zinc/12/47/25/1024124725.db2.gz FVVBWKNCDUKCII-LLVKDONJSA-N -1 1 334.416 3.610 20 0 EHADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)C(F)(F)F ZINC000443930964 1024136691 /nfs/dbraw/zinc/13/66/91/1024136691.db2.gz 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CCC[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000131099742 1027734751 /nfs/dbraw/zinc/73/47/51/1027734751.db2.gz SMLLPVZMVWWAIV-SFHVURJKSA-N -1 1 331.456 3.886 20 0 EHADMM CC[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccccc1 ZINC000523113722 1027759238 /nfs/dbraw/zinc/75/92/38/1027759238.db2.gz KQLOSXSFQUYDCV-JTQLQIEISA-N -1 1 342.342 3.955 20 0 EHADMM O=S(=O)([N-]c1ccc(Oc2ccccc2)nc1)c1ccc(F)cc1 ZINC000511208892 1028026774 /nfs/dbraw/zinc/02/67/74/1028026774.db2.gz MJKKKYYCZUSTJX-UHFFFAOYSA-N -1 1 344.367 3.814 20 0 EHADMM CCCCOCc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000277952763 1028100435 /nfs/dbraw/zinc/10/04/35/1028100435.db2.gz PDBFELXOVALRIX-UHFFFAOYSA-N -1 1 326.780 3.811 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CSc2ccccc21)c1cc2ccccc2o1 ZINC001211954577 1028126430 /nfs/dbraw/zinc/12/64/30/1028126430.db2.gz RKRHHAFKRUXLGC-CYBMUJFWSA-N -1 1 345.445 3.601 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000614841185 1028161750 /nfs/dbraw/zinc/16/17/50/1028161750.db2.gz 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O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@H]1CC1CCCCC1 ZINC000524617140 1029369452 /nfs/dbraw/zinc/36/94/52/1029369452.db2.gz CHWVEOXQBJJSKN-HNNXBMFYSA-N -1 1 333.501 3.714 20 0 EHADMM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000286675347 1029532486 /nfs/dbraw/zinc/53/24/86/1029532486.db2.gz FRJIMULRXUQNLM-PBHICJAKSA-N -1 1 327.424 3.701 20 0 EHADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc(C2CC2)on1 ZINC000065852927 1029581748 /nfs/dbraw/zinc/58/17/48/1029581748.db2.gz MQGRVKOJGIUISY-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM C[C@H](c1ccccc1Cl)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079411340 1029640355 /nfs/dbraw/zinc/64/03/55/1029640355.db2.gz USZLPDVIGYKRJL-LLVKDONJSA-N -1 1 341.798 3.822 20 0 EHADMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000088310777 1029686594 /nfs/dbraw/zinc/68/65/94/1029686594.db2.gz PHOBRZUEJAQXFJ-DTWKUNHWSA-N -1 1 340.308 3.614 20 0 EHADMM CC(C)(C)Sc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278242134 1029778670 /nfs/dbraw/zinc/77/86/70/1029778670.db2.gz STJRXSLBKXCSLJ-NSHDSACASA-N -1 1 346.374 3.954 20 0 EHADMM CC(C)CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058142691 1029926205 /nfs/dbraw/zinc/92/62/05/1029926205.db2.gz VNFMGUCUBOUKFN-UHFFFAOYSA-N -1 1 346.452 3.862 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1 ZINC000481846739 1030041361 /nfs/dbraw/zinc/04/13/61/1030041361.db2.gz JSORGKOOHJRSPU-UHFFFAOYSA-N -1 1 342.420 3.743 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c2cccnc12 ZINC000481865781 1030060459 /nfs/dbraw/zinc/06/04/59/1030060459.db2.gz WAOHCMZHRXNAFP-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(Br)c([O-])c1 ZINC000447770020 1030472519 /nfs/dbraw/zinc/47/25/19/1030472519.db2.gz YJZKUTSZVIYOQU-GXTWGEPZSA-N -1 1 338.245 3.853 20 0 EHADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnn1-c1ccc(C)cc1 ZINC000532267479 1030513996 /nfs/dbraw/zinc/51/39/96/1030513996.db2.gz YYOJOVNEFDPSMV-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2cccc(Br)c2)n1 ZINC000193543705 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348.358 3.754 20 0 EHADMM CCc1nc(NC(=O)c2cnc(C3CC3)[n-]c2=O)sc1C(C)(C)C ZINC000909931133 1041067765 /nfs/dbraw/zinc/06/77/65/1041067765.db2.gz WLINXUFPGYANPK-UHFFFAOYSA-N -1 1 346.456 3.628 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(F)(F)F ZINC000500329291 1041086473 /nfs/dbraw/zinc/08/64/73/1041086473.db2.gz VGKCZFAWZVTQIY-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM CCC(CC)(C(=O)Nc1cccc(F)c1[O-])C(=O)OC(C)(C)C ZINC000600444350 1041212746 /nfs/dbraw/zinc/21/27/46/1041212746.db2.gz GAVBMBLREQLYEC-UHFFFAOYSA-N -1 1 325.380 3.618 20 0 EHADMM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000162732231 1041287419 /nfs/dbraw/zinc/28/74/19/1041287419.db2.gz VEJZXAFVUGXADV-BLLLJJGKSA-N -1 1 341.432 3.849 20 0 EHADMM O=C([N-]c1nc(-c2ccccn2)cs1)c1noc(-c2ccccc2)n1 ZINC000433344999 1041307445 /nfs/dbraw/zinc/30/74/45/1041307445.db2.gz VWVZBZYBFXUEKZ-UHFFFAOYSA-N -1 1 349.375 3.507 20 0 EHADMM Cc1ccc(Cc2cnc(NC(=O)c3cncc([O-])c3)s2)cc1F ZINC000109945805 1041506667 /nfs/dbraw/zinc/50/66/67/1041506667.db2.gz VUYOQZMTOZMQRC-UHFFFAOYSA-N -1 1 343.383 3.534 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2cc(F)ccc2Br)CC1 ZINC000299741110 1041604537 /nfs/dbraw/zinc/60/45/37/1041604537.db2.gz CVCCBQISELBILE-NSHDSACASA-N -1 1 344.224 3.665 20 0 EHADMM Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(Cl)c(Cl)c2)n1 ZINC000660745899 1041802101 /nfs/dbraw/zinc/80/21/01/1041802101.db2.gz UTIAVZIISTVAAQ-UHFFFAOYSA-N -1 1 326.227 3.822 20 0 EHADMM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)CCc2ccc(F)cc21 ZINC000652510520 1042513984 /nfs/dbraw/zinc/51/39/84/1042513984.db2.gz CRYLXIKKOTUANJ-LBPRGKRZSA-N -1 1 331.362 3.825 20 0 EHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2cnccn2)no1 ZINC000184878696 1042620693 /nfs/dbraw/zinc/62/06/93/1042620693.db2.gz IKTZNJWPJNTLLI-UHFFFAOYSA-N -1 1 332.319 3.692 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)ccc1Cl ZINC000432478956 1043426469 /nfs/dbraw/zinc/42/64/69/1043426469.db2.gz QRXCQNTVFVYDSD-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1ccc(OC(F)F)c(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000348849029 1043497325 /nfs/dbraw/zinc/49/73/25/1043497325.db2.gz PTPLCUHCKQHMTH-UHFFFAOYSA-N -1 1 343.276 3.510 20 0 EHADMM CCOc1cc(C(=O)Nc2cnc(C(C)C)nc2)cc(Cl)c1[O-] ZINC000279893869 1044834243 /nfs/dbraw/zinc/83/42/43/1044834243.db2.gz IKZNPODRBPRJHI-UHFFFAOYSA-N -1 1 335.791 3.610 20 0 EHADMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)nc2C)cc1 ZINC000183490896 1125575778 /nfs/dbraw/zinc/57/57/78/1125575778.db2.gz CMMJHGQIVWFXFP-INIZCTEOSA-N -1 1 339.395 3.595 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000620692999 1125654830 /nfs/dbraw/zinc/65/48/30/1125654830.db2.gz MUHGHVBWOUIYLI-AWEZNQCLSA-N -1 1 349.500 3.645 20 0 EHADMM COc1cc(C(=O)[N-]c2nc(-c3ccc(C)cc3C)cs2)on1 ZINC000154560845 1125730304 /nfs/dbraw/zinc/73/03/04/1125730304.db2.gz WQUQKQYGMPRUSF-UHFFFAOYSA-N -1 1 329.381 3.676 20 0 EHADMM CCOc1cc(-c2noc(COC(C)(C)C)n2)cc(Cl)c1[O-] ZINC000350785108 1127101649 /nfs/dbraw/zinc/10/16/49/1127101649.db2.gz AKFSSNMSZWYUNJ-UHFFFAOYSA-N -1 1 326.780 3.809 20 0 EHADMM CO[C@H](C)c1nc(C)c(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000350831947 1127106463 /nfs/dbraw/zinc/10/64/63/1127106463.db2.gz ATDYPGCSHBKLOB-MRVPVSSYSA-N -1 1 335.360 3.721 20 0 EHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000764222487 1127464207 /nfs/dbraw/zinc/46/42/07/1127464207.db2.gz ZAHLQCPJLWAFIH-MRVPVSSYSA-N -1 1 333.750 3.552 20 0 EHADMM C[C@H](c1cc2ccccc2o1)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000765492225 1127620193 /nfs/dbraw/zinc/62/01/93/1127620193.db2.gz HHHVHFCYAINXHU-OAHLLOKOSA-N -1 1 338.407 3.674 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000351401860 1127934309 /nfs/dbraw/zinc/93/43/09/1127934309.db2.gz MYAFBBJHWKNXMU-WDEREUQCSA-N -1 1 339.317 3.699 20 0 EHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cccnc1N1CCOCC1 ZINC001212360640 1127980140 /nfs/dbraw/zinc/98/01/40/1127980140.db2.gz ZNAFVMAGHAKXMJ-UHFFFAOYSA-N -1 1 340.210 3.674 20 0 EHADMM CCC(CC)(CNC(=O)c1cc(C)cc(C=O)c1[O-])C(F)(F)F ZINC001649064548 1128115016 /nfs/dbraw/zinc/11/50/16/1128115016.db2.gz BTTPRFJFGNQORN-UHFFFAOYSA-N -1 1 331.334 3.612 20 0 EHADMM CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000066888861 1128229796 /nfs/dbraw/zinc/22/97/96/1128229796.db2.gz ONXJNZJIOYPSBH-LBPRGKRZSA-N -1 1 339.370 3.698 20 0 EHADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)C[C@H](C)CC(C)C)CC1 ZINC000068452804 1128267588 /nfs/dbraw/zinc/26/75/88/1128267588.db2.gz XOYLBZQCZJUCIG-CYBMUJFWSA-N -1 1 338.521 3.739 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c([O-])c1 ZINC000069644350 1128289263 /nfs/dbraw/zinc/28/92/63/1128289263.db2.gz IIBCXIJGBRFFCI-UHFFFAOYSA-N -1 1 342.420 3.812 20 0 EHADMM O=C(NCCCCc1ccc(Cl)s1)c1ccc([O-])c(F)c1 ZINC000671860012 1128430812 /nfs/dbraw/zinc/43/08/12/1128430812.db2.gz JMKBUNMZPQIUHK-UHFFFAOYSA-N -1 1 327.808 3.999 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1F ZINC000055619174 1128525384 /nfs/dbraw/zinc/52/53/84/1128525384.db2.gz VCVGNRBTURTILQ-UHFFFAOYSA-N -1 1 331.368 3.788 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)c1 ZINC000055663376 1128526508 /nfs/dbraw/zinc/52/65/08/1128526508.db2.gz AZPFMMAZVTYDNC-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1c([O-])cccc1Cl ZINC000765843959 1128546899 /nfs/dbraw/zinc/54/68/99/1128546899.db2.gz UQCQMYRLPKMAEZ-CJNGLKHVSA-N -1 1 331.799 3.696 20 0 EHADMM CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000303897751 1128706092 /nfs/dbraw/zinc/70/60/92/1128706092.db2.gz VPJZJVYWQOQHOX-UHFFFAOYSA-N -1 1 329.771 3.827 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000672163553 1128825397 /nfs/dbraw/zinc/82/53/97/1128825397.db2.gz SCIXVDDCAKMRGW-LZLYRXPVSA-N -1 1 325.383 3.940 20 0 EHADMM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Cl)c2)CCc2ccccc21 ZINC001687490975 1128831942 /nfs/dbraw/zinc/83/19/42/1128831942.db2.gz OWRKJRVEGYONLF-ZDUSSCGKSA-N -1 1 344.842 3.917 20 0 EHADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)n1 ZINC000075453900 1128861178 /nfs/dbraw/zinc/86/11/78/1128861178.db2.gz FEEPOHGSUZSIHH-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM CCCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001648796447 1120039302 /nfs/dbraw/zinc/03/93/02/1120039302.db2.gz KGUHLCRRMAFKBB-UHFFFAOYSA-N -1 1 341.407 3.574 20 0 EHADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])[C@@H](C)C1 ZINC000226204258 1120187787 /nfs/dbraw/zinc/18/77/87/1120187787.db2.gz CEZHKTQSKWJPAX-GBIKHYSHSA-N -1 1 326.234 3.709 20 0 EHADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])C[C@@H]1C ZINC000085060669 1120241090 /nfs/dbraw/zinc/24/10/90/1120241090.db2.gz JGZJFOMPDLDUSM-SCVCMEIPSA-N -1 1 326.234 3.709 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000187052483 1120484749 /nfs/dbraw/zinc/48/47/49/1120484749.db2.gz AZDGLVKCXVTUSV-UHFFFAOYSA-N -1 1 331.368 3.788 20 0 EHADMM CC[C@H]1CCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494552981 1120601070 /nfs/dbraw/zinc/60/10/70/1120601070.db2.gz BWPKSDATCGABRJ-ZDUSSCGKSA-N -1 1 334.416 3.754 20 0 EHADMM O=C(C=C1CCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000761746068 1120866442 /nfs/dbraw/zinc/86/64/42/1120866442.db2.gz NBLZDCHDVFFQSE-UHFFFAOYSA-N -1 1 327.424 3.704 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc(NC(C)=O)c2)cc(Cl)c1[O-] ZINC000193122573 1120926553 /nfs/dbraw/zinc/92/65/53/1120926553.db2.gz HVGJKCWAKIGVBN-UHFFFAOYSA-N -1 1 348.786 3.655 20 0 EHADMM Cc1cnc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c([O-])c1 ZINC000495023841 1120932213 /nfs/dbraw/zinc/93/22/13/1120932213.db2.gz HYXZPANPVBXYRP-LLVKDONJSA-N -1 1 327.409 3.539 20 0 EHADMM Cc1ccc(C=CS(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC000761841217 1120984539 /nfs/dbraw/zinc/98/45/39/1120984539.db2.gz RSZKZRNIVIUASU-KHPPLWFESA-N -1 1 331.441 3.788 20 0 EHADMM CCC1(CNC(=O)c2ccc(Br)c([O-])c2)CCCC1 ZINC000231350753 1121029361 /nfs/dbraw/zinc/02/93/61/1121029361.db2.gz UWONLUJBOPWQAN-UHFFFAOYSA-N -1 1 326.234 3.855 20 0 EHADMM CC1=C[C@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000495853623 1121546220 /nfs/dbraw/zinc/54/62/20/1121546220.db2.gz ANQKLTVTPLLQAJ-LBPRGKRZSA-N -1 1 346.427 3.777 20 0 EHADMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000915638624 1121571061 /nfs/dbraw/zinc/57/10/61/1121571061.db2.gz MWSHJYNIRCTTBQ-UHFFFAOYSA-N -1 1 332.410 3.693 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000054293420 1121751449 /nfs/dbraw/zinc/75/14/49/1121751449.db2.gz CEOHYSUTWVIEPZ-UHFFFAOYSA-N -1 1 331.315 3.515 20 0 EHADMM COC(=O)N(C)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000496135703 1121843969 /nfs/dbraw/zinc/84/39/69/1121843969.db2.gz WVGUVWKMHYUQDL-UHFFFAOYSA-N -1 1 349.774 3.892 20 0 EHADMM CC1(C)CO[C@@H](CCNC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001649031042 1122132680 /nfs/dbraw/zinc/13/26/80/1122132680.db2.gz LQYGLSZOLGPVJJ-LBPRGKRZSA-N -1 1 348.830 3.529 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCc2csc(C3CC3)n2)[n-]1 ZINC000126228775 1122396647 /nfs/dbraw/zinc/39/66/47/1122396647.db2.gz LPLSEIIZHOAXPE-UHFFFAOYSA-N -1 1 333.360 3.827 20 0 EHADMM Cc1cnn(CCCCCSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000127014703 1122456978 /nfs/dbraw/zinc/45/69/78/1122456978.db2.gz AKWPRCJNDPNKRL-UHFFFAOYSA-N -1 1 346.378 3.669 20 0 EHADMM Cc1cc(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)n[nH]1 ZINC000127625596 1122498473 /nfs/dbraw/zinc/49/84/73/1122498473.db2.gz CTGIEHWQGVJMTD-UHFFFAOYSA-N -1 1 334.590 3.565 20 0 EHADMM O=C(Cc1ccc(Br)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000067738930 1122532602 /nfs/dbraw/zinc/53/26/02/1122532602.db2.gz SHCQAHJOPHPLTJ-UHFFFAOYSA-N -1 1 340.604 3.989 20 0 EHADMM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000556152522 1122841951 /nfs/dbraw/zinc/84/19/51/1122841951.db2.gz AOLKZBCEWICLEO-UHFFFAOYSA-N -1 1 337.354 3.947 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001212480906 1129087068 /nfs/dbraw/zinc/08/70/68/1129087068.db2.gz PFAWGDNLXSXXOS-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM C/C(=C/C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000919553915 1123085114 /nfs/dbraw/zinc/08/51/14/1123085114.db2.gz XWLARZZZMVLNRE-LCYFTJDESA-N -1 1 336.343 3.645 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc2n[nH]cc21 ZINC000499270988 1123325715 /nfs/dbraw/zinc/32/57/15/1123325715.db2.gz YONMRXMTVISFSS-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM Cc1cc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)nc2ccccc12 ZINC000445405211 1123355340 /nfs/dbraw/zinc/35/53/40/1123355340.db2.gz XXSOWIJZCOKJEI-UHFFFAOYSA-N -1 1 347.330 3.695 20 0 EHADMM CCN(CCNC(=O)c1c([O-])cccc1Cl)c1cccc(C)c1 ZINC000920422536 1123367012 /nfs/dbraw/zinc/36/70/12/1123367012.db2.gz WYEHNRZEIKOELM-UHFFFAOYSA-N -1 1 332.831 3.610 20 0 EHADMM Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1C(=O)N(C)C ZINC000133454910 1123395828 /nfs/dbraw/zinc/39/58/28/1123395828.db2.gz BREHIJAUUJJXML-UHFFFAOYSA-N -1 1 348.402 3.808 20 0 EHADMM CC[C@@H](C)CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077614503 1123570225 /nfs/dbraw/zinc/57/02/25/1123570225.db2.gz BBMUKNNVDIYXRU-GFCCVEGCSA-N -1 1 336.432 3.857 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1 ZINC000078309025 1123618149 /nfs/dbraw/zinc/61/81/49/1123618149.db2.gz KVEYPGVQNRWPTA-UHFFFAOYSA-N -1 1 330.453 3.704 20 0 EHADMM O=S(=O)(Cc1ccccc1)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000135561843 1123628148 /nfs/dbraw/zinc/62/81/48/1123628148.db2.gz IAZPFPKRFYWWTE-UHFFFAOYSA-N -1 1 340.404 3.816 20 0 EHADMM Cc1ccccc1SCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617363949 1124498921 /nfs/dbraw/zinc/49/89/21/1124498921.db2.gz AAOFSYVLABWADD-UHFFFAOYSA-N -1 1 329.450 3.599 20 0 EHADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1 ZINC000734975868 1131301365 /nfs/dbraw/zinc/30/13/65/1131301365.db2.gz PCEAFNBFTIIHCP-MDZDMXLPSA-N -1 1 342.342 3.821 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccnc2Cl)c1 ZINC000182929226 1125398262 /nfs/dbraw/zinc/39/82/62/1125398262.db2.gz JZHWQXRUMCVXNJ-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1coc(-c2ccccc2)n1 ZINC000131059759 1129517324 /nfs/dbraw/zinc/51/73/24/1129517324.db2.gz RIKHSBXGFQTLPG-UHFFFAOYSA-N -1 1 349.325 3.518 20 0 EHADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1(F)F ZINC000338887780 1129706171 /nfs/dbraw/zinc/70/61/71/1129706171.db2.gz UVQRIJIWDRXTJM-SECBINFHSA-N -1 1 340.757 3.711 20 0 EHADMM CCC(CC)c1cc(C(=O)[N-]c2cc(C(=O)OC)ccc2F)on1 ZINC000132928294 1129923860 /nfs/dbraw/zinc/92/38/60/1129923860.db2.gz QXQNUNKJPAXCDU-UHFFFAOYSA-N -1 1 334.347 3.756 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)cc1 ZINC000673982875 1129932758 /nfs/dbraw/zinc/93/27/58/1129932758.db2.gz QJTNGIGAHCPNED-UHFFFAOYSA-N -1 1 342.420 3.743 20 0 EHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000171013869 1129997722 /nfs/dbraw/zinc/99/77/22/1129997722.db2.gz OPALYFWWSRQBBI-NSHDSACASA-N -1 1 325.817 3.848 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1F ZINC000025675606 1130640656 /nfs/dbraw/zinc/64/06/56/1130640656.db2.gz BVAMYXPNUHSFMH-MRXNPFEDSA-N -1 1 341.354 3.534 20 0 EHADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1csc2ccccc21 ZINC000730020740 1130663696 /nfs/dbraw/zinc/66/36/96/1130663696.db2.gz RAZSQATUOZHLMY-NSHDSACASA-N -1 1 349.415 3.629 20 0 EHADMM CC(C)c1ccccc1OCCNC(=O)c1c([O-])cccc1Cl ZINC000732303260 1130909225 /nfs/dbraw/zinc/90/92/25/1130909225.db2.gz XVTZYOAEGYHDME-UHFFFAOYSA-N -1 1 333.815 3.978 20 0 EHADMM O=C(c1ccc(C(F)F)o1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000626102627 1131155611 /nfs/dbraw/zinc/15/56/11/1131155611.db2.gz QVHNAOOMPITILN-UHFFFAOYSA-N -1 1 349.333 3.658 20 0 EHADMM O=C(NCCc1cccc2cccnc21)c1c([O-])cccc1Cl ZINC000144548428 1131166828 /nfs/dbraw/zinc/16/68/28/1131166828.db2.gz LMVFMLJJZCWDCU-UHFFFAOYSA-N -1 1 326.783 3.566 20 0 EHADMM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1ccccc1)CC1CCC1 ZINC000828197315 1131426070 /nfs/dbraw/zinc/42/60/70/1131426070.db2.gz DCYKRCOWROUDLQ-UHFFFAOYSA-N -1 1 337.423 3.502 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2occc2s1 ZINC000736896050 1131439641 /nfs/dbraw/zinc/43/96/41/1131439641.db2.gz LNXCDJCXSFNRLR-UHFFFAOYSA-N -1 1 342.328 3.663 20 0 EHADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000742028790 1131685068 /nfs/dbraw/zinc/68/50/68/1131685068.db2.gz 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/nfs/dbraw/zinc/24/67/00/1132246700.db2.gz LXVSRPZJBDXSIJ-UHFFFAOYSA-N -1 1 341.388 3.604 20 0 EHADMM Cc1n[nH]cc1Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001174473411 1132380150 /nfs/dbraw/zinc/38/01/50/1132380150.db2.gz HFGLETZRPCDCNA-UHFFFAOYSA-N -1 1 339.239 3.774 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncc(Br)s1 ZINC000192438609 1132471953 /nfs/dbraw/zinc/47/19/53/1132471953.db2.gz WVKJXUXMOHAVFC-UHFFFAOYSA-N -1 1 333.594 3.517 20 0 EHADMM O=C([O-])c1ccc(Nc2ccc(F)c(Br)c2O)s1 ZINC001174807271 1132479179 /nfs/dbraw/zinc/47/91/79/1132479179.db2.gz HQULGADMVZDTOG-UHFFFAOYSA-N -1 1 332.150 3.797 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)ccc1N ZINC001175103167 1132553931 /nfs/dbraw/zinc/55/39/31/1132553931.db2.gz MFHRGZSSBDNPAZ-UHFFFAOYSA-N -1 1 348.321 3.536 20 0 EHADMM [O-]c1c(Cl)cc(Br)cc1Nc1cnc2n[nH]cc2c1 ZINC001175411126 1132661666 /nfs/dbraw/zinc/66/16/66/1132661666.db2.gz VSSWCPFOJRYHDW-UHFFFAOYSA-N -1 1 339.580 3.823 20 0 EHADMM C[C@@H](c1ccc(Cl)cc1)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001175579291 1132714511 /nfs/dbraw/zinc/71/45/11/1132714511.db2.gz QWNAWYCSABDCQI-HZMBPMFUSA-N -1 1 334.769 3.544 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)c(OC)c2)c1 ZINC001175771862 1132762385 /nfs/dbraw/zinc/76/23/85/1132762385.db2.gz WUDFZPLNPSARRE-UHFFFAOYSA-N -1 1 341.816 3.591 20 0 EHADMM CN(Cc1cscc1Br)C(=O)c1ccc(F)c([O-])c1 ZINC001176380316 1132913874 /nfs/dbraw/zinc/91/38/74/1132913874.db2.gz DOYCEIKCWUITHU-UHFFFAOYSA-N -1 1 344.205 3.628 20 0 EHADMM O=C(OCc1nc2ccccc2n1C(F)F)c1ccc([O-])cc1F ZINC000773576479 1132931660 /nfs/dbraw/zinc/93/16/60/1132931660.db2.gz AAZRHQXAGQBEJA-UHFFFAOYSA-N -1 1 336.269 3.633 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cc(Cl)cc(Cl)c2)c1 ZINC001176571510 1132969800 /nfs/dbraw/zinc/96/98/00/1132969800.db2.gz CRPOCGFSEZWIJY-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2cnc(Br)c(F)c2)c1F ZINC001176670555 1132978873 /nfs/dbraw/zinc/97/88/73/1132978873.db2.gz 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O=C(Nc1cc(-c2cccc(F)c2)ccn1)c1ccc([O-])cc1F ZINC001186311381 1134198896 /nfs/dbraw/zinc/19/88/96/1134198896.db2.gz SINGIZDYQIYWHW-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1)c1sccc1Cl ZINC001186313965 1134199091 /nfs/dbraw/zinc/19/90/91/1134199091.db2.gz PESVQAYTZCKZCQ-UHFFFAOYSA-N -1 1 340.228 3.673 20 0 EHADMM Cc1cc(C)c(C(=O)Nc2nc(Br)ccc2[O-])c(C)c1 ZINC000789923331 1134344611 /nfs/dbraw/zinc/34/46/11/1134344611.db2.gz RXLAGLFZSULOFP-UHFFFAOYSA-N -1 1 335.201 3.727 20 0 EHADMM CC1(C)CC[C@@](NCc2cccnc2Cl)(C(=O)[O-])c2ccccc21 ZINC000789904073 1134347434 /nfs/dbraw/zinc/34/74/34/1134347434.db2.gz QJNLUQHDEPNUBY-IBGZPJMESA-N -1 1 344.842 3.876 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)CCc2cccc3ccccc32)n1 ZINC001187608051 1134355918 /nfs/dbraw/zinc/35/59/18/1134355918.db2.gz LDBNOZOBYWTLFR-UHFFFAOYSA-N -1 1 326.421 3.528 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000790056984 1134366441 /nfs/dbraw/zinc/36/64/41/1134366441.db2.gz RMSIQSSGNBAZSK-YUMQZZPRSA-N -1 1 342.704 3.600 20 0 EHADMM O=C([N-]c1c(Cl)cnnc1Cl)c1ccoc1C(F)(F)F ZINC001187709895 1134372342 /nfs/dbraw/zinc/37/23/42/1134372342.db2.gz BYHHQEIZWIWSBE-UHFFFAOYSA-N -1 1 326.061 3.648 20 0 EHADMM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001188033260 1134420609 /nfs/dbraw/zinc/42/06/09/1134420609.db2.gz AVAIBTLMMKKUMI-CQSZACIVSA-N -1 1 325.405 3.819 20 0 EHADMM O=C(Nc1cccc2nsnc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188564426 1134477225 /nfs/dbraw/zinc/47/72/25/1134477225.db2.gz WHBFMUPTMFKDJQ-UHFFFAOYSA-N -1 1 339.298 3.668 20 0 EHADMM O=S(=O)([N-][C@@H](c1cccc(Cl)c1)C(F)(F)F)c1ccoc1 ZINC001188624676 1134489955 /nfs/dbraw/zinc/48/99/55/1134489955.db2.gz XKTMJJFFRAJYTN-NSHDSACASA-N -1 1 339.722 3.515 20 0 EHADMM Cc1cc(Cl)nc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189073834 1134541995 /nfs/dbraw/zinc/54/19/95/1134541995.db2.gz WKJNWTLSOKYBEV-UHFFFAOYSA-N -1 1 345.251 3.681 20 0 EHADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC001189320965 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CCCCCCOc1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190887138 1134763776 /nfs/dbraw/zinc/76/37/76/1134763776.db2.gz LBRULSXKWDOSIS-UHFFFAOYSA-N -1 1 334.441 3.842 20 0 EHADMM COc1cc(C(=O)Nc2ccc(C3CCC3)nc2)cc(Cl)c1[O-] ZINC001191138898 1134809580 /nfs/dbraw/zinc/80/95/80/1134809580.db2.gz MNFZPQGTPFEZAD-UHFFFAOYSA-N -1 1 332.787 3.969 20 0 EHADMM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC001191396147 1134854819 /nfs/dbraw/zinc/85/48/19/1134854819.db2.gz RMXDONONBPHRAJ-JTQLQIEISA-N -1 1 335.391 3.599 20 0 EHADMM O=S(=O)([N-][C@@H](C1CCC1)C1CCCC1)c1ccc(F)c(F)c1F ZINC001191719793 1134904946 /nfs/dbraw/zinc/90/49/46/1134904946.db2.gz LUMSZHWMSSRPCF-MRXNPFEDSA-N -1 1 347.402 3.741 20 0 EHADMM COc1ccc(CC2(NC(=O)c3cc([O-])cc(F)c3F)CCC2)cc1 ZINC001192683593 1135044329 /nfs/dbraw/zinc/04/43/29/1135044329.db2.gz GJTRLNKYIACOQB-UHFFFAOYSA-N -1 1 347.361 3.574 20 0 EHADMM Cc1ccccc1CC(C)(C)CNC(=O)c1cc([O-])cc(F)c1F ZINC001192683554 1135044555 /nfs/dbraw/zinc/04/45/55/1135044555.db2.gz 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O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cnccc1OC(F)F ZINC001199382501 1135901953 /nfs/dbraw/zinc/90/19/53/1135901953.db2.gz FKHXGRHAWPJERQ-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)c1Cl ZINC000776082533 1135949964 /nfs/dbraw/zinc/94/99/64/1135949964.db2.gz IFRMBVOFWBSTAA-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM Cc1ccc(C(N)=O)cc1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810571626 1135976975 /nfs/dbraw/zinc/97/69/75/1135976975.db2.gz BIWDZBAVGPVTMK-UHFFFAOYSA-N -1 1 334.784 3.509 20 0 EHADMM O=S(=O)([N-]c1ccsc1)c1ccc(Oc2ccncc2)cc1 ZINC001201595787 1136044370 /nfs/dbraw/zinc/04/43/70/1136044370.db2.gz WZHDEYQSQCMUPO-UHFFFAOYSA-N -1 1 332.406 3.736 20 0 EHADMM CCOC(=O)c1cnoc1[N-]c1cncc(OCc2ccccc2)c1 ZINC001201621271 1136048309 /nfs/dbraw/zinc/04/83/09/1136048309.db2.gz GGXXVDYPIUINHL-UHFFFAOYSA-N -1 1 339.351 3.569 20 0 EHADMM O=C(Nc1ccccc1F)Nc1cccc([O-])c1Br ZINC001202002096 1136085077 /nfs/dbraw/zinc/08/50/77/1136085077.db2.gz KURRVMOFHXSEIB-UHFFFAOYSA-N -1 1 325.137 3.938 20 0 EHADMM CSc1nc(NC(=O)Nc2ccccc2C(F)(F)F)cc(=O)[n-]1 ZINC001202156658 1136102902 /nfs/dbraw/zinc/10/29/02/1136102902.db2.gz TZSOQSBEHFMGLG-UHFFFAOYSA-N -1 1 344.318 3.567 20 0 EHADMM CSc1nc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc(=O)[n-]1 ZINC001202403145 1136142962 /nfs/dbraw/zinc/14/29/62/1136142962.db2.gz DLLFSNRFYJTHFE-UHFFFAOYSA-N -1 1 344.318 3.567 20 0 EHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811836064 1136143040 /nfs/dbraw/zinc/14/30/40/1136143040.db2.gz BXKBWIOUVNGYIJ-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000107240610 1136163715 /nfs/dbraw/zinc/16/37/15/1136163715.db2.gz VZPJMKLMKSGTAQ-OUCADQQQSA-N -1 1 330.211 3.671 20 0 EHADMM CCc1cc2c(COC(=O)CC3CCCC3)cc(=O)oc2cc1[O-] ZINC000007108334 1136192127 /nfs/dbraw/zinc/19/21/27/1136192127.db2.gz LEDXBDQRRGPPAD-UHFFFAOYSA-N -1 1 330.380 3.685 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(Cn2cccn2)cc1 ZINC000111666721 1136570002 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O=C(Nc1ccc(OC(F)F)cn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000857511391 1136879135 /nfs/dbraw/zinc/87/91/35/1136879135.db2.gz MEJROMNCBHYIMV-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM O=C([N-]Cc1ccnc(C(F)(F)F)c1)C(F)(F)c1ccccc1F ZINC000857521390 1136879807 /nfs/dbraw/zinc/87/98/07/1136879807.db2.gz GRUFTOCBOPLRGB-UHFFFAOYSA-N -1 1 348.246 3.648 20 0 EHADMM CN(Cc1ccsc1)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001136150854 1136884095 /nfs/dbraw/zinc/88/40/95/1136884095.db2.gz ISSMKYLBKHBKJW-UHFFFAOYSA-N -1 1 341.388 3.798 20 0 EHADMM O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cc(F)ccc1[O-] ZINC001136160928 1136890767 /nfs/dbraw/zinc/89/07/67/1136890767.db2.gz XDJAOTPTRYDPCX-UHFFFAOYSA-N -1 1 348.337 3.518 20 0 EHADMM O=c1cc(CC2CC2)[n-]n1-c1cc(Cl)cc(Br)c1 ZINC001245953172 1136960546 /nfs/dbraw/zinc/96/05/46/1136960546.db2.gz LFTICFZKGDACLG-UHFFFAOYSA-N -1 1 327.609 3.946 20 0 EHADMM Cc1cc(Cl)ccc1OCCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858362542 1136961708 /nfs/dbraw/zinc/96/17/08/1136961708.db2.gz 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ZINC000863425583 1137185820 /nfs/dbraw/zinc/18/58/20/1137185820.db2.gz LQUPSXBJQKNARI-UHFFFAOYSA-N -1 1 347.436 3.823 20 0 EHADMM C[C@H]1CN=C([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)S1 ZINC000843911413 1137187931 /nfs/dbraw/zinc/18/79/31/1137187931.db2.gz IQRHPMCOJJGXQL-LURJTMIESA-N -1 1 339.194 3.693 20 0 EHADMM CCON(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C(C)C ZINC000844078658 1137196197 /nfs/dbraw/zinc/19/61/97/1137196197.db2.gz XNYCSBCIFIRQFI-UHFFFAOYSA-N -1 1 338.404 3.541 20 0 EHADMM O=C([N-]C1(c2c(F)cccc2F)CCC1)C(F)(F)c1nccs1 ZINC000863837789 1137204674 /nfs/dbraw/zinc/20/46/74/1137204674.db2.gz WWCFIBKSWSLODZ-UHFFFAOYSA-N -1 1 344.333 3.709 20 0 EHADMM O=C([O-])CC[C@H](NCc1cccnc1Br)c1ccccc1 ZINC000864512008 1137231042 /nfs/dbraw/zinc/23/10/42/1137231042.db2.gz VYGMGPVRFUKUTC-AWEZNQCLSA-N -1 1 349.228 3.540 20 0 EHADMM COc1ccc2c(c1)CCCN2C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000864685608 1137240495 /nfs/dbraw/zinc/24/04/95/1137240495.db2.gz DHOGKUHVZPUUPE-UHFFFAOYSA-N -1 1 331.799 3.576 20 0 EHADMM [O-]c1cc(F)c(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1F ZINC001144666712 1137324702 /nfs/dbraw/zinc/32/47/02/1137324702.db2.gz MYHLRQWZEULOLH-GFCCVEGCSA-N -1 1 341.304 3.602 20 0 EHADMM O=c1nc(N2CCC(Cc3ccc(Cl)cc3)CC2)cc(Cl)[n-]1 ZINC000866209197 1137335493 /nfs/dbraw/zinc/33/54/93/1137335493.db2.gz ZKRKXUPQXQXIRE-UHFFFAOYSA-N -1 1 338.238 3.948 20 0 EHADMM CCCN(CCC)c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC001144734230 1137340209 /nfs/dbraw/zinc/34/02/09/1137340209.db2.gz NGEDHBNEAMQALD-UHFFFAOYSA-N -1 1 340.423 3.840 20 0 EHADMM C[C@H]1c2ccc(Cl)n2CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000868381987 1137407606 /nfs/dbraw/zinc/40/76/06/1137407606.db2.gz QWBDOFOURJEVQR-JTQLQIEISA-N -1 1 339.222 3.646 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3cc4ccccc4n3C)cc2)[n-]1 ZINC001148329247 1137422588 /nfs/dbraw/zinc/42/25/88/1137422588.db2.gz LRSSIVGENQHSDV-UHFFFAOYSA-N -1 1 346.390 3.543 20 0 EHADMM Nc1ccc2c(c1)CCCN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148801256 1137435406 /nfs/dbraw/zinc/43/54/06/1137435406.db2.gz WLBKDOPWFQKGBF-UHFFFAOYSA-N -1 1 336.313 3.586 20 0 EHADMM O=C(NCC(F)(F)c1ccc(F)cc1)c1c([O-])cccc1Cl ZINC001148819200 1137435694 /nfs/dbraw/zinc/43/56/94/1137435694.db2.gz GYSCDFUJPHMYJM-UHFFFAOYSA-N -1 1 329.705 3.707 20 0 EHADMM O=C(NCc1ccc2nonc2c1)c1cccc(-c2ccccc2)c1[O-] ZINC001148870370 1137436689 /nfs/dbraw/zinc/43/66/89/1137436689.db2.gz VDQKRTORJKLCIY-UHFFFAOYSA-N -1 1 345.358 3.525 20 0 EHADMM O=C(NCc1cnc2[nH]ccc2c1)c1cccc(-c2ccccc2)c1[O-] ZINC001148870331 1137436703 /nfs/dbraw/zinc/43/67/03/1137436703.db2.gz SZIDEERUMHOCTH-UHFFFAOYSA-N -1 1 343.386 3.866 20 0 EHADMM Cc1ccc(F)cc1NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148981097 1137438963 /nfs/dbraw/zinc/43/89/63/1137438963.db2.gz ALWKLJPHJDOHKD-UHFFFAOYSA-N -1 1 340.148 3.560 20 0 EHADMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1noc2c1CCCCC2 ZINC000871268118 1137530532 /nfs/dbraw/zinc/53/05/32/1137530532.db2.gz HRQYECIYGYIDHT-UHFFFAOYSA-N -1 1 328.265 3.752 20 0 EHADMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000872413634 1137579702 /nfs/dbraw/zinc/57/97/02/1137579702.db2.gz QYBKTHVGMFQYMN-UHFFFAOYSA-N -1 1 347.436 3.690 20 0 EHADMM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000872920222 1137586652 /nfs/dbraw/zinc/58/66/52/1137586652.db2.gz UDCSEQIOAVGVSC-SFHVURJKSA-N -1 1 329.400 3.660 20 0 EHADMM Cc1csc([C@@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)n1 ZINC000874491423 1137615933 /nfs/dbraw/zinc/61/59/33/1137615933.db2.gz WTOOKPBAQAGCMK-OAHLLOKOSA-N -1 1 338.432 3.940 20 0 EHADMM CCCO[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876394558 1137650717 /nfs/dbraw/zinc/65/07/17/1137650717.db2.gz XEUCTICSNBUQKO-CQSZACIVSA-N -1 1 340.851 3.536 20 0 EHADMM CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394551 1137650748 /nfs/dbraw/zinc/65/07/48/1137650748.db2.gz XAFQSEFRZQCTOY-HNNXBMFYSA-N -1 1 333.819 3.733 20 0 EHADMM CC1(C)CN(C(=O)NCc2ccc([O-])c(Cl)c2)[C@H]1c1ccncc1 ZINC000876396395 1137650812 /nfs/dbraw/zinc/65/08/12/1137650812.db2.gz DEABVWRXFLTJDX-INIZCTEOSA-N -1 1 345.830 3.733 20 0 EHADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1nc(C2CCCCC2)cs1 ZINC000880246869 1137771983 /nfs/dbraw/zinc/77/19/83/1137771983.db2.gz SRDPDLBCKXSABM-CYBMUJFWSA-N -1 1 325.434 3.771 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)Nc1nc(C2CCCCC2)cs1 ZINC000880246869 1137771984 /nfs/dbraw/zinc/77/19/84/1137771984.db2.gz SRDPDLBCKXSABM-CYBMUJFWSA-N -1 1 325.434 3.771 20 0 EHADMM CCc1cc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)no1 ZINC000888836478 1137789117 /nfs/dbraw/zinc/78/91/17/1137789117.db2.gz YLNKENMOJUDCHU-UHFFFAOYSA-N -1 1 342.424 3.667 20 0 EHADMM Cc1nnc(-c2cccc(C(=O)Nc3ccc([O-])c(Cl)c3)c2)o1 ZINC000129566938 1137825209 /nfs/dbraw/zinc/82/52/09/1137825209.db2.gz LQCSZZYHCFMSHF-UHFFFAOYSA-N -1 1 329.743 3.656 20 0 EHADMM CCS[C@H]1CCC[C@H](NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001137193391 1137865913 /nfs/dbraw/zinc/86/59/13/1137865913.db2.gz QFIOZCIYGFXIMP-RYUDHWBXSA-N -1 1 348.443 3.874 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2F)c1 ZINC000029107806 1137878331 /nfs/dbraw/zinc/87/83/31/1137878331.db2.gz QXEKTYDCCPQKRE-UHFFFAOYSA-N -1 1 342.399 3.694 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1ccc2ccccc2n1 ZINC000800033535 1137895070 /nfs/dbraw/zinc/89/50/70/1137895070.db2.gz YMWBJZHOJKZOTC-VAWYXSNFSA-N -1 1 328.368 3.787 20 0 EHADMM O=C(NCc1c(F)c(F)cc(F)c1F)c1cc(Cl)ccc1[O-] ZINC001137201774 1137901561 /nfs/dbraw/zinc/90/15/61/1137901561.db2.gz LLBMEOQNTQNQRS-UHFFFAOYSA-N -1 1 333.668 3.532 20 0 EHADMM Cc1cnc(C(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)c([O-])c1 ZINC000332337696 1137940439 /nfs/dbraw/zinc/94/04/39/1137940439.db2.gz LEXUBKZHCBNAJE-INIZCTEOSA-N -1 1 339.439 3.666 20 0 EHADMM COc1ccc(NC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c(C)c1 ZINC001202719762 1137950502 /nfs/dbraw/zinc/95/05/02/1137950502.db2.gz OPVBIOHFLWHPHN-UHFFFAOYSA-N -1 1 338.367 3.539 20 0 EHADMM CCOc1ccc(N(C)C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000135132037 1137964038 /nfs/dbraw/zinc/96/40/38/1137964038.db2.gz DBMWUHWERXEESR-UHFFFAOYSA-N -1 1 335.787 3.730 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cnc([C@@H]2CCCO2)s1 ZINC000885676006 1138018011 /nfs/dbraw/zinc/01/80/11/1138018011.db2.gz GSTQUCJUSZSVMS-NSHDSACASA-N -1 1 342.779 3.745 20 0 EHADMM COC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCC(F)(F)CC1 ZINC000885679819 1138018325 /nfs/dbraw/zinc/01/83/25/1138018325.db2.gz HPHRYOMFTMKTTB-UHFFFAOYSA-N -1 1 337.725 3.718 20 0 EHADMM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)C1(C)C ZINC000885678004 1138018392 /nfs/dbraw/zinc/01/83/92/1138018392.db2.gz GOYJMSZVLLPRCL-BDAKNGLRSA-N -1 1 327.783 3.765 20 0 EHADMM CC(C)n1c(CNC(=O)c2cc(Cl)cc(Cl)c2)n[n-]c1=S ZINC000066650015 1138076794 /nfs/dbraw/zinc/07/67/94/1138076794.db2.gz LWTYRNBPWWXQNA-UHFFFAOYSA-N -1 1 345.255 3.758 20 0 EHADMM CCOCCOCc1cccc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000091991792 1138224121 /nfs/dbraw/zinc/22/41/21/1138224121.db2.gz ADGPJVXQANPNRT-UHFFFAOYSA-N -1 1 347.386 3.645 20 0 EHADMM CCCOc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c(C)c1 ZINC000121927746 1138252418 /nfs/dbraw/zinc/25/24/18/1138252418.db2.gz GZYZJEHDKGNBHK-UHFFFAOYSA-N -1 1 342.395 3.700 20 0 EHADMM CSc1cccc(F)c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000336887281 1138421436 /nfs/dbraw/zinc/42/14/36/1138421436.db2.gz CUEWWKHHBGGTKI-UHFFFAOYSA-N -1 1 343.383 3.896 20 0 EHADMM O=c1[nH]c(-c2nc(-c3ccc(Cl)c(F)c3Cl)no2)ccc1[O-] ZINC001214535831 1138522459 /nfs/dbraw/zinc/52/24/59/1138522459.db2.gz JDZMUDFDVJPUOK-UHFFFAOYSA-N -1 1 342.113 3.656 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000337743185 1138657170 /nfs/dbraw/zinc/65/71/70/1138657170.db2.gz BWQYHQMZLGJEOO-UHFFFAOYSA-N -1 1 345.449 3.599 20 0 EHADMM CCCc1nnc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)s1 ZINC000152643254 1139101559 /nfs/dbraw/zinc/10/15/59/1139101559.db2.gz AHUFGMIFSWTGFB-UHFFFAOYSA-N -1 1 328.397 3.706 20 0 EHADMM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cncc([O-])c1 ZINC000176221282 1139545841 /nfs/dbraw/zinc/54/58/41/1139545841.db2.gz KZUAVXWXQMCNNU-UHFFFAOYSA-N -1 1 339.395 3.558 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H](C)[C@@H]2C)cc1 ZINC000177118735 1139598293 /nfs/dbraw/zinc/59/82/93/1139598293.db2.gz SDGLOKFIAFIZIA-KBPBESRZSA-N -1 1 344.484 3.563 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1c1ccncc1 ZINC000180357694 1139828829 /nfs/dbraw/zinc/82/88/29/1139828829.db2.gz NLSOESAEMPUFBM-AWEZNQCLSA-N -1 1 336.313 3.783 20 0 EHADMM CCCN(CCC)C(=O)CCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182866098 1139997713 /nfs/dbraw/zinc/99/77/13/1139997713.db2.gz NQHBSTCXAUDHRX-UHFFFAOYSA-N -1 1 340.851 3.803 20 0 EHADMM Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000271223255 1141328148 /nfs/dbraw/zinc/32/81/48/1141328148.db2.gz DBSPEPWHFCLHLG-DEOSSOPVSA-N -1 1 345.464 3.955 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@@H](CC)CSC)cc(Cl)c1[O-] ZINC000273875965 1141437739 /nfs/dbraw/zinc/43/77/39/1141437739.db2.gz RDFGKGQOQHEWJL-NSHDSACASA-N -1 1 331.865 3.658 20 0 EHADMM CSCc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000339137115 1141506840 /nfs/dbraw/zinc/50/68/40/1141506840.db2.gz POHPVUGUSYNVHW-UHFFFAOYSA-N -1 1 339.420 3.898 20 0 EHADMM CC(C)[C@@H](NCc1cccc([O-])c1Cl)c1nnc2ccccn21 ZINC000339220546 1141532101 /nfs/dbraw/zinc/53/21/01/1141532101.db2.gz OWVLCTGMVGZHKQ-MRXNPFEDSA-N -1 1 330.819 3.575 20 0 EHADMM O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1cncc([O-])c1 ZINC000348832445 1141590782 /nfs/dbraw/zinc/59/07/82/1141590782.db2.gz LCQOHKCYLLRYJE-UHFFFAOYSA-N -1 1 345.402 3.602 20 0 EHADMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2[nH]1 ZINC000098068702 219077971 /nfs/dbraw/zinc/07/79/71/219077971.db2.gz SPLXYGMVMLBCAD-UHFFFAOYSA-N -1 1 347.415 3.800 20 0 EHADMM Nc1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1F ZINC000034955909 213002036 /nfs/dbraw/zinc/00/20/36/213002036.db2.gz ZWGDYZKYZKOUIB-UHFFFAOYSA-N -1 1 335.187 3.516 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1F ZINC000071974271 215984692 /nfs/dbraw/zinc/98/46/92/215984692.db2.gz VTXMACWTEKQWHX-UHFFFAOYSA-N -1 1 348.443 3.925 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1cccc(Cl)c1 ZINC000119772897 221397703 /nfs/dbraw/zinc/39/77/03/221397703.db2.gz LNQFPJNZUWKOMQ-UHFFFAOYSA-N -1 1 334.784 3.796 20 0 EHADMM CCCOc1ccccc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000555528892 569966418 /nfs/dbraw/zinc/96/64/18/569966418.db2.gz WLCPSDOAVOEWRB-UHFFFAOYSA-N -1 1 341.816 3.635 20 0 EHADMM CC[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)C1CCCCC1 ZINC000736370364 598965266 /nfs/dbraw/zinc/96/52/66/598965266.db2.gz PYTPHFBRDLHPFL-CQSZACIVSA-N -1 1 337.431 3.581 20 0 EHADMM CC[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)C1CCCCC1 ZINC000736370364 598965267 /nfs/dbraw/zinc/96/52/67/598965267.db2.gz PYTPHFBRDLHPFL-CQSZACIVSA-N -1 1 337.431 3.581 20 0 EHADMM Clc1ccc(N[C@H](CC2CC2)c2ccccc2)nc1-c1nnn[n-]1 ZINC000822578849 599054053 /nfs/dbraw/zinc/05/40/53/599054053.db2.gz REXHCZVSXBMFJR-CQSZACIVSA-N -1 1 340.818 3.868 20 0 EHADMM Clc1ccc(N[C@H](CC2CC2)c2ccccc2)nc1-c1nn[n-]n1 ZINC000822578849 599054056 /nfs/dbraw/zinc/05/40/56/599054056.db2.gz REXHCZVSXBMFJR-CQSZACIVSA-N -1 1 340.818 3.868 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000532881101 597077037 /nfs/dbraw/zinc/07/70/37/597077037.db2.gz NKXZCNGUQVAHNQ-GFCCVEGCSA-N -1 1 334.416 3.636 20 0 EHADMM O=C([O-])CCCCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000181554061 597774286 /nfs/dbraw/zinc/77/42/86/597774286.db2.gz WPSFBOCICHMVKO-OAHLLOKOSA-N -1 1 329.400 3.519 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000736136821 598570978 /nfs/dbraw/zinc/57/09/78/598570978.db2.gz HSCFOPIFSGAHNC-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000736136821 598570979 /nfs/dbraw/zinc/57/09/79/598570979.db2.gz HSCFOPIFSGAHNC-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM CC(C)Oc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820146964 599441294 /nfs/dbraw/zinc/44/12/94/599441294.db2.gz VVFVUUHXAIWBNE-UHFFFAOYSA-N -1 1 333.779 3.512 20 0 EHADMM CC(C)Oc1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000820146964 599441296 /nfs/dbraw/zinc/44/12/96/599441296.db2.gz VVFVUUHXAIWBNE-UHFFFAOYSA-N -1 1 333.779 3.512 20 0 EHADMM Cc1cc(CNC2(c3ccc(Cl)cc3)CCOCC2)oc1C(=O)[O-] ZINC000738387739 599803406 /nfs/dbraw/zinc/80/34/06/599803406.db2.gz FTHQVOSFHHJNKD-UHFFFAOYSA-N -1 1 349.814 3.735 20 0 EHADMM Cc1[nH]c(C(=O)CN(C2CC2)C2CCC(C)CC2)c(C)c1C(=O)[O-] ZINC000738233405 600085865 /nfs/dbraw/zinc/08/58/65/600085865.db2.gz LIKWZLLRKAQKOA-UHFFFAOYSA-N -1 1 332.444 3.556 20 0 EHADMM COc1ccc(C2(NCc3cc(C)c(C(=O)[O-])o3)CCCC2)cc1 ZINC000737980543 600284518 /nfs/dbraw/zinc/28/45/18/600284518.db2.gz IGYNLCGYVUCNDK-UHFFFAOYSA-N -1 1 329.396 3.854 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1C[C@H](c2ccccc2C)C[C@H]1C ZINC000738761771 600418558 /nfs/dbraw/zinc/41/85/58/600418558.db2.gz URIZSOJVQMUNLQ-TZMCWYRMSA-N -1 1 347.846 3.687 20 0 EHADMM O=C([O-])CCCOc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 ZINC000739686658 600482390 /nfs/dbraw/zinc/48/23/90/600482390.db2.gz RZMYOKIRMMVYSG-UHFFFAOYSA-N -1 1 349.770 3.542 20 0 EHADMM CC(C)N(CCC(=O)[O-])Cn1c2cc(Cl)ccc2oc1=S ZINC000736467645 600608367 /nfs/dbraw/zinc/60/83/67/600608367.db2.gz AAZIKPNUXWZDRI-UHFFFAOYSA-N -1 1 328.821 3.760 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1)c1ccccc1F ZINC000426797794 600747331 /nfs/dbraw/zinc/74/73/31/600747331.db2.gz CMEZJDJWMGIPIB-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM CC(C)n1ccn(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1=S ZINC000736585078 601090143 /nfs/dbraw/zinc/09/01/43/601090143.db2.gz SFQNPTGPFRYCPX-OAHLLOKOSA-N -1 1 347.484 3.780 20 0 EHADMM O=C([O-])c1sccc1CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000833347819 601806047 /nfs/dbraw/zinc/80/60/47/601806047.db2.gz VEXHQOWOCARBLI-CYBMUJFWSA-N -1 1 337.466 3.689 20 0 EHADMM Cc1ccc(-c2nnc([C@H](C)N3CCC(CCC(=O)[O-])CC3)o2)cc1 ZINC000832908931 601840324 /nfs/dbraw/zinc/84/03/24/601840324.db2.gz SCPJBLUTLJDHCU-AWEZNQCLSA-N -1 1 343.427 3.683 20 0 EHADMM c1ccc2c(c1)cccc2CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826522448 607533079 /nfs/dbraw/zinc/53/30/79/607533079.db2.gz AZLHIJBTAZOLPY-UHFFFAOYSA-N -1 1 333.420 3.848 20 0 EHADMM c1ccc2c(c1)cccc2CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000826522448 607533081 /nfs/dbraw/zinc/53/30/81/607533081.db2.gz AZLHIJBTAZOLPY-UHFFFAOYSA-N -1 1 333.420 3.848 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)s1 ZINC000564462998 601956616 /nfs/dbraw/zinc/95/66/16/601956616.db2.gz PTFMJCBJKGVLTN-CYBMUJFWSA-N -1 1 347.411 3.680 20 0 EHADMM C[C@H](N[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)c1ccccn1 ZINC000832840269 601973312 /nfs/dbraw/zinc/97/33/12/601973312.db2.gz ZLULFDOVRJDTIA-XPTSAGLGSA-N -1 1 325.195 3.865 20 0 EHADMM O=C([O-])[C@H](NCc1ccc(Cl)nc1)c1cc(Cl)cc(Cl)c1 ZINC000833165461 601973880 /nfs/dbraw/zinc/97/38/80/601973880.db2.gz JZDPJJTZWHYNCK-CYBMUJFWSA-N -1 1 345.613 3.957 20 0 EHADMM CCc1nc2c(s1)[C@H](N(C)Cc1cc(C(=O)[O-])c(C)o1)CCC2 ZINC000563281275 602053917 /nfs/dbraw/zinc/05/39/17/602053917.db2.gz AIOQVQSMXSTQIQ-CQSZACIVSA-N -1 1 334.441 3.815 20 0 EHADMM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccccc2Cl)C(=O)[O-])c1 ZINC000832049176 602163632 /nfs/dbraw/zinc/16/36/32/602163632.db2.gz FIIBJAXCZQIJJJ-PIGZYNQJSA-N -1 1 349.814 3.834 20 0 EHADMM Cc1nc(CN2CCC[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000164497067 602233786 /nfs/dbraw/zinc/23/37/86/602233786.db2.gz UNXLIEHMIDLSEO-CYBMUJFWSA-N -1 1 334.803 3.600 20 0 EHADMM Cc1ccc(-c2nnc([C@@H](C)N3CCC(CC(=O)[O-])CC3)o2)cc1C ZINC000832908231 602235653 /nfs/dbraw/zinc/23/56/53/602235653.db2.gz HJQZDWUIRWTHMU-CQSZACIVSA-N -1 1 343.427 3.601 20 0 EHADMM COc1ccc(CN(Cc2ccoc2C(=O)[O-])C(C)(C)C)c(OC)c1 ZINC000832313771 602326276 /nfs/dbraw/zinc/32/62/76/602326276.db2.gz BACAPQFFVZZCFT-UHFFFAOYSA-N -1 1 347.411 3.796 20 0 EHADMM O=C([O-])Nc1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1 ZINC000740711794 602576260 /nfs/dbraw/zinc/57/62/60/602576260.db2.gz DNFRLZKQSWAPII-UHFFFAOYSA-N -1 1 340.314 3.558 20 0 EHADMM CN(Cc1sccc1Br)C1CCC(NC(=O)[O-])CC1 ZINC000828434704 603789663 /nfs/dbraw/zinc/78/96/63/603789663.db2.gz KAFHWXCCDCAROP-UHFFFAOYSA-N -1 1 347.278 3.521 20 0 EHADMM CSc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000829759552 603855687 /nfs/dbraw/zinc/85/56/87/603855687.db2.gz AZLWYPABVZDKMK-UHFFFAOYSA-N -1 1 328.437 3.739 20 0 EHADMM Cc1ccc(C(=O)Nc2ccc(CN(C)C)c(F)c2)cc1NC(=O)[O-] ZINC000830230575 604134054 /nfs/dbraw/zinc/13/40/54/604134054.db2.gz LODJBCBTMRJCGJ-UHFFFAOYSA-N -1 1 345.374 3.538 20 0 EHADMM CC(C)OC(=O)C[C@H](NCc1ccsc1C(=O)[O-])c1ccccc1 ZINC000833502236 605268810 /nfs/dbraw/zinc/26/88/10/605268810.db2.gz JVUHFVJGHMLUGX-HNNXBMFYSA-N -1 1 347.436 3.619 20 0 EHADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1cnc(C2CCCC2)s1 ZINC000834162402 605609945 /nfs/dbraw/zinc/60/99/45/605609945.db2.gz VFJRFKVNPJBTRC-GOOCMWNKSA-N -1 1 349.500 3.954 20 0 EHADMM O=C([O-])Nc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cn1 ZINC000834260307 606021959 /nfs/dbraw/zinc/02/19/59/606021959.db2.gz OZNPFMVMALBKIU-CQSZACIVSA-N -1 1 347.802 3.828 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H](C)c1ccccc1 ZINC000820456593 606141959 /nfs/dbraw/zinc/14/19/59/606141959.db2.gz VNRGBXCNWHKSRD-MNOVXSKESA-N -1 1 328.807 3.519 20 0 EHADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H](C)c1ccccc1 ZINC000820456593 606141960 /nfs/dbraw/zinc/14/19/60/606141960.db2.gz VNRGBXCNWHKSRD-MNOVXSKESA-N -1 1 328.807 3.519 20 0 EHADMM Clc1ccc2oc(C=Cc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC000822581394 606388985 /nfs/dbraw/zinc/38/89/85/606388985.db2.gz HCROMRADRVCUCS-ZZXKWVIFSA-N -1 1 329.772 3.893 20 0 EHADMM Clc1ccc2c(c1)[C@@H](Nc1cccc(-c3nnn[n-]3)n1)CCS2 ZINC000826353072 607895825 /nfs/dbraw/zinc/89/58/25/607895825.db2.gz ZTHOUDBYROGGBS-NSHDSACASA-N -1 1 344.831 3.564 20 0 EHADMM Clc1ccc2c(c1)[C@@H](Nc1cccc(-c3nn[n-]n3)n1)CCS2 ZINC000826353072 607895826 /nfs/dbraw/zinc/89/58/26/607895826.db2.gz ZTHOUDBYROGGBS-NSHDSACASA-N -1 1 344.831 3.564 20 0 EHADMM Cc1cscc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826321274 608350537 /nfs/dbraw/zinc/35/05/37/608350537.db2.gz YLNUVNHRNVXOBG-UHFFFAOYSA-N -1 1 347.469 3.848 20 0 EHADMM Cc1cscc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826321274 608350538 /nfs/dbraw/zinc/35/05/38/608350538.db2.gz YLNUVNHRNVXOBG-UHFFFAOYSA-N -1 1 347.469 3.848 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263382774 950423105 /nfs/dbraw/zinc/42/31/05/950423105.db2.gz XNIOSTWDBSABDX-GRYCIOLGSA-N -1 1 337.370 3.535 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263382776 950423764 /nfs/dbraw/zinc/42/37/64/950423764.db2.gz XNIOSTWDBSABDX-IJLUTSLNSA-N -1 1 337.370 3.535 20 0 EHADMM C[N@@H+](CCC(=O)[O-])Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000263417564 950453019 /nfs/dbraw/zinc/45/30/19/950453019.db2.gz NUQFMLXILOLEBK-UHFFFAOYSA-N -1 1 349.862 3.730 20 0 EHADMM CC(C)(C)Oc1ccccc1NCc1csc(-c2nn[n-]n2)c1 ZINC001573876501 950675698 /nfs/dbraw/zinc/67/56/98/950675698.db2.gz OFTIRSMLMONPEW-UHFFFAOYSA-N -1 1 329.429 3.718 20 0 EHADMM O=C([O-])[C@H]1CN(C/C=C\c2ccc(F)c(F)c2)Cc2ccccc21 ZINC001594953950 954971642 /nfs/dbraw/zinc/97/16/42/954971642.db2.gz QYTKDQUOTTVBMD-QGZUEGPWSA-N -1 1 329.346 3.662 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(F)cc(Br)c2)C1 ZINC000093996277 958259737 /nfs/dbraw/zinc/25/97/37/958259737.db2.gz HQCDMRFMWRSNIM-LLVKDONJSA-N -1 1 344.224 3.665 20 0 EHADMM C[C@@H](C(=O)[O-])C(=O)Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC001573371955 958628260 /nfs/dbraw/zinc/62/82/60/958628260.db2.gz BTTVAWXGLZUPNF-SECBINFHSA-N -1 1 343.770 3.543 20 0 EHADMM CCCCN(Cc1ccc(C(=O)[O-])cc1Br)C1CC1 ZINC000226722708 959897959 /nfs/dbraw/zinc/89/79/59/959897959.db2.gz KQDRZVJMPGFBRD-UHFFFAOYSA-N -1 1 326.234 3.912 20 0 EHADMM COc1cccc([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2F)c1 ZINC001231458491 960608508 /nfs/dbraw/zinc/60/85/08/960608508.db2.gz KAUQKOQDYIGHIQ-GOSISDBHSA-N -1 1 329.371 3.870 20 0 EHADMM CCN(Cc1ccc(Cl)cc1)Cc1ccccc1OCC(=O)[O-] ZINC001231795935 960625848 /nfs/dbraw/zinc/62/58/48/960625848.db2.gz FIYHKKYVLIQTAP-UHFFFAOYSA-N -1 1 333.815 3.826 20 0 EHADMM CCN(Cc1cccc(Cl)c1)Cc1ccccc1OCC(=O)[O-] ZINC001231794334 960627614 /nfs/dbraw/zinc/62/76/14/960627614.db2.gz ZULOIIJYTNWFKS-UHFFFAOYSA-N -1 1 333.815 3.826 20 0 EHADMM Cc1ccc(-c2cnc(CN3CCC[C@@H](CCC(=O)[O-])C3)o2)cc1 ZINC000263056188 962193403 /nfs/dbraw/zinc/19/34/03/962193403.db2.gz DZQVHFZXDGGREK-HNNXBMFYSA-N -1 1 328.412 3.727 20 0 EHADMM CC(C)N(Cc1ccco1)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588920250 962368571 /nfs/dbraw/zinc/36/85/71/962368571.db2.gz DTYOUOMWFQRHTO-HNNXBMFYSA-N -1 1 346.427 3.584 20 0 EHADMM O=C([O-])[C@H]1C[C@@H](NCc2cnc(-c3ccccc3)nc2)c2ccccc21 ZINC001574648640 962406730 /nfs/dbraw/zinc/40/67/30/962406730.db2.gz DJRZWBKLSBXGFD-RBUKOAKNSA-N -1 1 345.402 3.546 20 0 EHADMM Cc1oc(CN2CCC(c3nc4ccccc4o3)CC2)cc1C(=O)[O-] ZINC001349581015 962473467 /nfs/dbraw/zinc/47/34/67/962473467.db2.gz JJVNQACCYVGAPP-UHFFFAOYSA-N -1 1 340.379 3.807 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2cscc2Br)C1 ZINC000310741247 963430914 /nfs/dbraw/zinc/43/09/14/963430914.db2.gz HFXOHCYKSRUTKA-SNVBAGLBSA-N -1 1 332.263 3.587 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccsc2Br)C1 ZINC000388746230 968157291 /nfs/dbraw/zinc/15/72/91/968157291.db2.gz MCLVVJYXXVSRLN-ZDUSSCGKSA-N -1 1 332.263 3.587 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000903697174 969590734 /nfs/dbraw/zinc/59/07/34/969590734.db2.gz DXTFWIXNEFSBEU-CYBMUJFWSA-N -1 1 331.334 3.630 20 0 EHADMM Cc1ccccc1C(NCc1cc(C(=O)[O-])nn1C)c1ccccc1C ZINC001605351001 973254310 /nfs/dbraw/zinc/25/43/10/973254310.db2.gz JXVSJJHEWDIPDC-UHFFFAOYSA-N -1 1 349.434 3.614 20 0 EHADMM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426754521 974045142 /nfs/dbraw/zinc/04/51/42/974045142.db2.gz QZPOBEAAGYKUEY-MRXNPFEDSA-N -1 1 337.778 3.712 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)c(F)c1 ZINC000516301528 974305867 /nfs/dbraw/zinc/30/58/67/974305867.db2.gz UFNBYNHACHWOHA-ZDUSSCGKSA-N -1 1 335.325 3.792 20 0 EHADMM O=C([O-])c1ccccc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000519760077 974334814 /nfs/dbraw/zinc/33/48/14/974334814.db2.gz QPBQALHEVPBJGK-UHFFFAOYSA-N -1 1 341.251 3.702 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(Oc3cccc(F)c3)CC2)s1 ZINC000530162849 974358330 /nfs/dbraw/zinc/35/83/30/974358330.db2.gz AQUGGIRXXIWYGG-UHFFFAOYSA-N -1 1 335.400 3.629 20 0 EHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1csc(Br)c1 ZINC000530174547 974362695 /nfs/dbraw/zinc/36/26/95/974362695.db2.gz LNJAVWHOCVZRKF-IUCAKERBSA-N -1 1 332.263 3.584 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2csc(C(=O)[O-])c2)c(OC)c1 ZINC000580720055 974899081 /nfs/dbraw/zinc/89/90/81/974899081.db2.gz WJRHDAKHFXJACT-OAHLLOKOSA-N -1 1 347.436 3.801 20 0 EHADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000579719349 1014254417 /nfs/dbraw/zinc/25/44/17/1014254417.db2.gz AYRKVYLJEDVURH-SJKOYZFVSA-N -1 1 345.826 3.862 20 0 EHADMM CC[C@@H](OCCN1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000659792303 975880108 /nfs/dbraw/zinc/88/01/08/975880108.db2.gz SEHYXYPKCFXNHB-HXUWFJFHSA-N -1 1 339.435 3.911 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1 ZINC000662211503 975899144 /nfs/dbraw/zinc/89/91/44/975899144.db2.gz PPYADVNYCHGVNQ-NSHDSACASA-N -1 1 331.334 3.504 20 0 EHADMM CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001591795785 976001564 /nfs/dbraw/zinc/00/15/64/976001564.db2.gz KXMUMAQDSJQYNG-ZIAGYGMSSA-N -1 1 328.412 3.979 20 0 EHADMM C[C@@H](CN(Cc1ccccc1)Cc1cc(O)ccc1Cl)C(=O)[O-] ZINC001592604492 978543514 /nfs/dbraw/zinc/54/35/14/978543514.db2.gz DDDNHGDWDDKVNF-ZDUSSCGKSA-N -1 1 333.815 3.769 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000830363574 979016749 /nfs/dbraw/zinc/01/67/49/979016749.db2.gz VAYHSZYGEWLZJH-UHFFFAOYSA-N -1 1 339.338 3.774 20 0 EHADMM COc1c(C)cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1C ZINC000841817024 979314261 /nfs/dbraw/zinc/31/42/61/979314261.db2.gz HIVLHSSOLOWBKI-UHFFFAOYSA-N -1 1 340.423 3.572 20 0 EHADMM Cc1ccc(F)c(CN(C)CCOc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000846256701 979428399 /nfs/dbraw/zinc/42/83/99/979428399.db2.gz JBSYLHQNVWQXRJ-UXBLZVDNSA-N -1 1 343.398 3.743 20 0 EHADMM CCc1oc(CN2CCC(Oc3ccc(C)cc3)CC2)cc1C(=O)[O-] ZINC000901423012 980267843 /nfs/dbraw/zinc/26/78/43/980267843.db2.gz WXILALUWYGLCTC-UHFFFAOYSA-N -1 1 343.423 3.892 20 0 EHADMM C[C@H](N[C@H]1CCC[C@H](CCCC(=O)[O-])C1)c1nc(C(C)(C)C)no1 ZINC000901464343 980298305 /nfs/dbraw/zinc/29/83/05/980298305.db2.gz HLLUIJHZASNMQG-MJBXVCDLSA-N -1 1 337.464 3.831 20 0 EHADMM CC[C@@H](N[C@H](CCO)c1ccccc1F)c1ccc(C(=O)[O-])cc1 ZINC001595280964 980327921 /nfs/dbraw/zinc/32/79/21/980327921.db2.gz GBTDHOZLLFSUIV-QZTJIDSGSA-N -1 1 331.387 3.688 20 0 EHADMM C/C(=C/c1cccc(C(F)(F)F)c1)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000901520024 980337348 /nfs/dbraw/zinc/33/73/48/980337348.db2.gz UFPHJUWBKSEPIO-OCOPJHETSA-N -1 1 331.309 3.607 20 0 EHADMM CC[C@H](NCC(=O)c1cc(C(=O)[O-])[nH]c1C)c1cc(C)ccc1C ZINC001595287197 980368148 /nfs/dbraw/zinc/36/81/48/980368148.db2.gz OUPUNGHNFNVWMS-INIZCTEOSA-N -1 1 328.412 3.562 20 0 EHADMM CO[C@@]1(C(=O)[O-])CCN(Cc2c(Cl)cccc2SC(C)C)C1 ZINC000901540365 980368795 /nfs/dbraw/zinc/36/87/95/980368795.db2.gz CFJCEIRKGFCKKW-INIZCTEOSA-N -1 1 343.876 3.516 20 0 EHADMM CC[C@@H](NCc1c2ccccc2[nH]c1C(=O)[O-])c1nc(C)cs1 ZINC001595298255 980415067 /nfs/dbraw/zinc/41/50/67/980415067.db2.gz DTIJCMFEYNBLHN-CYBMUJFWSA-N -1 1 329.425 3.872 20 0 EHADMM O=C(NCc1cnn(-c2ccccc2)c1)c1ccc2ccccc2c1[O-] ZINC000014408526 1014675932 /nfs/dbraw/zinc/67/59/32/1014675932.db2.gz KUAVPUUFZZHRNP-UHFFFAOYSA-N -1 1 343.386 3.661 20 0 EHADMM CCOc1cccc2cc([C@@H](C)NCc3ccoc3C(=O)[O-])oc21 ZINC000902080754 980723714 /nfs/dbraw/zinc/72/37/14/980723714.db2.gz LVJYZJXYEKIMHD-LLVKDONJSA-N -1 1 329.352 3.974 20 0 EHADMM COc1cc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)ccc1OC(C)C ZINC000902117568 980742820 /nfs/dbraw/zinc/74/28/20/980742820.db2.gz ARBQJMZTHIZGKZ-CYBMUJFWSA-N -1 1 347.411 3.933 20 0 EHADMM COc1cc([C@@H](C)NCc2ccc(C(=O)[O-])o2)ccc1OCC(C)C ZINC000902137205 980753108 /nfs/dbraw/zinc/75/31/08/980753108.db2.gz CDJBJCIEYKXTLW-CYBMUJFWSA-N -1 1 347.411 3.872 20 0 EHADMM COc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)c(C(F)(F)F)c1 ZINC000902211020 980784420 /nfs/dbraw/zinc/78/44/20/980784420.db2.gz OZWXLTZXXZPYPN-UHFFFAOYSA-N -1 1 343.301 3.603 20 0 EHADMM COCCSc1ccc([C@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000902231482 980792814 /nfs/dbraw/zinc/79/28/14/980792814.db2.gz PQSFJNZVPSTMTC-ZDUSSCGKSA-N -1 1 349.452 3.876 20 0 EHADMM CO[C@H](c1ccccc1Cl)[C@H](C)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902270985 980810836 /nfs/dbraw/zinc/81/08/36/980810836.db2.gz XKFRPCPBXWIXEY-CGTXMDDLSA-N -1 1 349.814 3.897 20 0 EHADMM CCC1(CC)CCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001595375002 980890368 /nfs/dbraw/zinc/89/03/68/980890368.db2.gz JJGSHJICQJMZSO-UHFFFAOYSA-N -1 1 330.222 3.752 20 0 EHADMM O=C([O-])/C=C/c1ccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000902492580 980908729 /nfs/dbraw/zinc/90/87/29/980908729.db2.gz BVLFLBKDKLKIKI-FEHORCSSSA-N -1 1 347.798 3.651 20 0 EHADMM Cc1cc([C@H]2CCCN2Cc2ccnc3c(C(=O)[O-])cccc23)on1 ZINC000902512299 980915887 /nfs/dbraw/zinc/91/58/87/980915887.db2.gz JXNZIBYPNSUEPY-MRXNPFEDSA-N -1 1 337.379 3.567 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903631058 981007215 /nfs/dbraw/zinc/00/72/15/981007215.db2.gz KNSFEPDBNVJTEX-IJLUTSLNSA-N -1 1 337.370 3.535 20 0 EHADMM CC[C@H](C)[C@@H](C(=O)[O-])N1Cc2ccc(C)c(Br)c2C1 ZINC001594873284 982192608 /nfs/dbraw/zinc/19/26/08/982192608.db2.gz LXFFNVYPGJIWAH-XPTSAGLGSA-N -1 1 326.234 3.572 20 0 EHADMM CCCCc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2[nH]1 ZINC001595799423 982613161 /nfs/dbraw/zinc/61/31/61/982613161.db2.gz PSUKBTYCVMOKII-UONOGXRCSA-N -1 1 343.427 3.735 20 0 EHADMM CCN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@H](C)c1cccc(OC)c1 ZINC001596359429 983834289 /nfs/dbraw/zinc/83/42/89/983834289.db2.gz IFTKXFRHPRNHFC-IWMPZKFUSA-N -1 1 329.396 3.969 20 0 EHADMM C/C(=C\CN(Cc1cc(Br)ccc1F)C(C)C)C(=O)[O-] ZINC001588958313 984711598 /nfs/dbraw/zinc/71/15/98/984711598.db2.gz DUUVRRZVBYCWAZ-IZZDOVSWSA-N -1 1 344.224 3.830 20 0 EHADMM Cc1[nH]c(C(=O)CN2CC[C@@]2(C)C2CCCCC2)c(C)c1C(=O)[O-] ZINC001599945923 985527511 /nfs/dbraw/zinc/52/75/11/985527511.db2.gz SORSAHMQPCYUIT-IBGZPJMESA-N -1 1 332.444 3.557 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Br)ccc1Cl ZINC000263462606 1125493647 /nfs/dbraw/zinc/49/36/47/1125493647.db2.gz CBWBTUUCSGHYBQ-NXEZZACHSA-N -1 1 346.652 3.788 20 0 EHADMM Cc1c(NC(=O)Nc2ccc(C(=O)[O-])cc2)[nH]nc1-c1ccccc1 ZINC001599969889 985987269 /nfs/dbraw/zinc/98/72/69/985987269.db2.gz XGZJZQVDBCXILW-UHFFFAOYSA-N -1 1 336.351 3.727 20 0 EHADMM C[C@@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC2(CCC2)O1 ZINC001594537680 986162641 /nfs/dbraw/zinc/16/26/41/986162641.db2.gz XEBZTKWIPLUXHD-CQSZACIVSA-N -1 1 341.407 3.788 20 0 EHADMM CC[C@@H](C(=O)Nc1ccc(C)cc1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594734731 987263851 /nfs/dbraw/zinc/26/38/51/987263851.db2.gz ASOVWAXKFVEOPS-SFHVURJKSA-N -1 1 340.423 3.542 20 0 EHADMM CCc1cccc2cc(CNCc3cccc(OCC(=O)[O-])c3)oc21 ZINC001597603884 988475951 /nfs/dbraw/zinc/47/59/51/988475951.db2.gz XVWFZDZSYSYADP-UHFFFAOYSA-N -1 1 339.391 3.748 20 0 EHADMM CSc1ccccc1CN(C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001599824227 988568684 /nfs/dbraw/zinc/56/86/84/988568684.db2.gz RYDRBABJWMAIJA-AWEZNQCLSA-N -1 1 345.464 3.892 20 0 EHADMM CC(=O)c1cccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1 ZINC000339850354 1015750808 /nfs/dbraw/zinc/75/08/08/1015750808.db2.gz QRMVLAIDLJWHHJ-UHFFFAOYSA-N -1 1 345.811 3.668 20 0 EHADMM COC(=O)Nc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000120652451 1015779167 /nfs/dbraw/zinc/77/91/67/1015779167.db2.gz IOMAIFHMXPMMFY-UHFFFAOYSA-N -1 1 336.347 3.976 20 0 EHADMM COc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])c(Cl)c2)c(OC)c1 ZINC001599619981 994067987 /nfs/dbraw/zinc/06/79/87/994067987.db2.gz HYECIWQCFSMDOB-LLVKDONJSA-N -1 1 349.814 3.906 20 0 EHADMM COc1ccc2c(c1)CCN([C@H](C(=O)[O-])c1cccc(Cl)c1)C2 ZINC001599628249 994180307 /nfs/dbraw/zinc/18/03/07/994180307.db2.gz KDDBKKRZKLBVFA-KRWDZBQOSA-N -1 1 331.799 3.533 20 0 EHADMM C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)c1ncc(C(=O)[O-])s1 ZINC001593219167 994296205 /nfs/dbraw/zinc/29/62/05/994296205.db2.gz KPVQUSKZXQGGSA-UHTWSYAYSA-N -1 1 338.473 3.618 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1 ZINC000007417315 1015866105 /nfs/dbraw/zinc/86/61/05/1015866105.db2.gz QTVLUVXDPKYWCA-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM C[C@H](NCCSc1ccc(F)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593273779 994620680 /nfs/dbraw/zinc/62/06/80/994620680.db2.gz YQKRLCNSIKQBKR-QMMMGPOBSA-N -1 1 344.408 3.562 20 0 EHADMM C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cc2c(s1)CCC2 ZINC001593298209 994711313 /nfs/dbraw/zinc/71/13/13/994711313.db2.gz FPOUSSZQEHVCKY-SECBINFHSA-N -1 1 336.844 3.834 20 0 EHADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000180260933 1015896712 /nfs/dbraw/zinc/89/67/12/1015896712.db2.gz PIDSKJOOTGEGFK-UHFFFAOYSA-N -1 1 338.404 3.591 20 0 EHADMM C[C@@H](Oc1ccccc1CN(Cc1cccs1)C1CC1)C(=O)[O-] ZINC001593644865 995967122 /nfs/dbraw/zinc/96/71/22/995967122.db2.gz NPFLNOOVICELOQ-CYBMUJFWSA-N -1 1 331.437 3.765 20 0 EHADMM C[C@H](Oc1ccccc1CN(Cc1ccccc1)C1CC1)C(=O)[O-] ZINC001593646257 995982170 /nfs/dbraw/zinc/98/21/70/995982170.db2.gz VZIGQRJXVZQOAQ-HNNXBMFYSA-N 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/nfs/dbraw/zinc/24/27/08/997242708.db2.gz BFJCMAALECHDGR-QWHCGFSZSA-N -1 1 347.386 3.537 20 0 EHADMM COc1cc(Cl)c(CN2CC[C@H](C)C[C@H]2C(=O)[O-])cc1Cl ZINC001599418658 997555062 /nfs/dbraw/zinc/55/50/62/997555062.db2.gz MPSWYYYGOLTKRN-ZANVPECISA-N -1 1 332.227 3.687 20 0 EHADMM COc1c(Cl)cccc1CNCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001599334530 997810850 /nfs/dbraw/zinc/81/08/50/997810850.db2.gz SOPSHACDDRZQQC-UHFFFAOYSA-N -1 1 336.819 3.788 20 0 EHADMM COC(=O)c1cc(CN2CCC[C@H]2c2ccsc2)cc(C(=O)[O-])c1 ZINC001598933522 997818393 /nfs/dbraw/zinc/81/83/93/997818393.db2.gz ZGDBFAHYLUCFFE-INIZCTEOSA-N -1 1 345.420 3.570 20 0 EHADMM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC001599558862 998148399 /nfs/dbraw/zinc/14/83/99/998148399.db2.gz MRBXYLYWPQSMMT-INIZCTEOSA-N -1 1 337.778 3.745 20 0 EHADMM COc1ccc(Cl)c(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC001599576834 998458222 /nfs/dbraw/zinc/45/82/22/998458222.db2.gz MBMYPGCIOSXLDR-MRXNPFEDSA-N -1 1 337.778 3.712 20 0 EHADMM C[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC001594426341 999593156 /nfs/dbraw/zinc/59/31/56/999593156.db2.gz JOIFHVSPWPEMFL-DJJJIMSYSA-N -1 1 335.407 3.844 20 0 EHADMM Cc1ccc(-c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)s2)o1 ZINC000182903525 1032148542 /nfs/dbraw/zinc/14/85/42/1032148542.db2.gz RRZFNSVJLDCPNM-UHFFFAOYSA-N -1 1 342.302 3.706 20 0 EHADMM Cc1ccc(-c2nsc([N-]C(=O)c3noc4c3CCCC4)n2)s1 ZINC000589353383 1016697535 /nfs/dbraw/zinc/69/75/35/1016697535.db2.gz TVPQSXICCHTWBD-UHFFFAOYSA-N -1 1 346.437 3.694 20 0 EHADMM CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1c(C)noc1C ZINC000180782706 1016906862 /nfs/dbraw/zinc/90/68/62/1016906862.db2.gz SEODLOISVNTXCK-LBPRGKRZSA-N -1 1 342.317 3.897 20 0 EHADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1csc(Cl)c1 ZINC000471300005 1016912849 /nfs/dbraw/zinc/91/28/49/1016912849.db2.gz GCWCCLDMOHQVIB-UHFFFAOYSA-N -1 1 339.754 3.744 20 0 EHADMM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340332025 1016961279 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CCc1cnccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182930571 1017218573 /nfs/dbraw/zinc/21/85/73/1017218573.db2.gz HIPBMEJWHIPWQC-UHFFFAOYSA-N -1 1 335.201 3.673 20 0 EHADMM CC[C@H](c1nnc([N-]C(=O)c2nccs2)s1)c1ccccc1 ZINC000683546954 1017307063 /nfs/dbraw/zinc/30/70/63/1017307063.db2.gz FXKNAFPPNJCZFQ-NSHDSACASA-N -1 1 330.438 3.789 20 0 EHADMM CCCCc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[nH]n1 ZINC000471494812 1018281239 /nfs/dbraw/zinc/28/12/39/1018281239.db2.gz DYILNLDRXFOCAV-UHFFFAOYSA-N -1 1 348.255 3.860 20 0 EHADMM CCN(Cc1occc1C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000413552437 1032772263 /nfs/dbraw/zinc/77/22/63/1032772263.db2.gz KXVLYLNRKCAVSD-UHFFFAOYSA-N -1 1 338.411 3.789 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000500951671 1018750058 /nfs/dbraw/zinc/75/00/58/1018750058.db2.gz QQUHQNQPPBYBPT-NWDGAFQWSA-N -1 1 345.374 3.581 20 0 EHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1 ZINC000580297694 1018943106 /nfs/dbraw/zinc/94/31/06/1018943106.db2.gz 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C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000397120161 1032862370 /nfs/dbraw/zinc/86/23/70/1032862370.db2.gz ABFAQCHBVRPNHG-WCQYABFASA-N -1 1 334.803 3.680 20 0 EHADMM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc([O-])c(F)c1 ZINC000684071118 1020051562 /nfs/dbraw/zinc/05/15/62/1020051562.db2.gz LNNMCCJCFTXXTI-ZDUSSCGKSA-N -1 1 331.240 3.546 20 0 EHADMM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000684095166 1020140126 /nfs/dbraw/zinc/14/01/26/1020140126.db2.gz DCTIWYRGUATUKM-UHFFFAOYSA-N -1 1 329.331 3.821 20 0 EHADMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C)s1 ZINC000345358603 1020181343 /nfs/dbraw/zinc/18/13/43/1020181343.db2.gz YMOYINHOHFYLSE-MRVPVSSYSA-N -1 1 349.399 3.822 20 0 EHADMM Cc1nn(C)cc1CCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167439867 1020295807 /nfs/dbraw/zinc/29/58/07/1020295807.db2.gz KNJASDRUHOBMJJ-UHFFFAOYSA-N -1 1 343.814 3.812 20 0 EHADMM O=S(=O)(Cc1ccccc1F)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000545860212 1020540090 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EHADMM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000112385525 1021384543 /nfs/dbraw/zinc/38/45/43/1021384543.db2.gz RPGURYTYFAKXMQ-SFHVURJKSA-N -1 1 349.434 3.701 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H](C)c3cccs3)no2)c1 ZINC000436933810 1021397030 /nfs/dbraw/zinc/39/70/30/1021397030.db2.gz DQCPHELCKFTGNO-SECBINFHSA-N -1 1 329.381 3.614 20 0 EHADMM O=C(Nc1ccc(CCC(F)(F)F)cc1)C(=O)c1ccc([O-])cc1 ZINC000436945569 1021408080 /nfs/dbraw/zinc/40/80/80/1021408080.db2.gz UFAPJCWCEGYDSL-UHFFFAOYSA-N -1 1 337.297 3.709 20 0 EHADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000426418990 1021536238 /nfs/dbraw/zinc/53/62/38/1021536238.db2.gz ZFRDIDTZYOOYAG-NSHDSACASA-N -1 1 338.329 3.948 20 0 EHADMM CC(C)n1ncc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc21 ZINC001143397424 1021813571 /nfs/dbraw/zinc/81/35/71/1021813571.db2.gz QWHQOJYMMRATSG-UHFFFAOYSA-N -1 1 331.322 3.853 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(Br)s1 ZINC000440844340 1021826231 /nfs/dbraw/zinc/82/62/31/1021826231.db2.gz OXUWPWMPLNXKEO-ZETCQYMHSA-N -1 1 344.205 3.846 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1coc(C2CCCCC2)n1 ZINC000548273224 1021975159 /nfs/dbraw/zinc/97/51/59/1021975159.db2.gz FBQGXRIOBATOTA-UHFFFAOYSA-N -1 1 328.344 3.764 20 0 EHADMM CC(C)(C)c1nc2cc(NC(=O)c3ccc([O-])cc3F)ccc2[nH]1 ZINC000188334986 1022095825 /nfs/dbraw/zinc/09/58/25/1022095825.db2.gz NTNSMLDLCOAORY-UHFFFAOYSA-N -1 1 327.359 3.957 20 0 EHADMM CCC(CC)n1ccc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])n1 ZINC000519541547 1022323576 /nfs/dbraw/zinc/32/35/76/1022323576.db2.gz GMMYPKZPPUIXPI-MRXNPFEDSA-N -1 1 343.471 3.967 20 0 EHADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000425947418 1022370350 /nfs/dbraw/zinc/37/03/50/1022370350.db2.gz TXMBVIBYHSYBQO-UHFFFAOYSA-N -1 1 335.400 3.855 20 0 EHADMM CN1CCN(C(=O)c2cc3ccccc3cc2[O-])Cc2ccccc21 ZINC000110778894 1022372653 /nfs/dbraw/zinc/37/26/53/1022372653.db2.gz LWXCTKCTGUABHI-UHFFFAOYSA-N -1 1 332.403 3.638 20 0 EHADMM Cc1cc([C@H](C)NC(=O)c2cc(Br)ccc2[O-])c(C)o1 ZINC000049402330 1022533682 /nfs/dbraw/zinc/53/36/82/1022533682.db2.gz HAMQIPJDJFCISR-VIFPVBQESA-N -1 1 338.201 3.856 20 0 EHADMM CCc1nc(CNCc2csc3ccccc23)ccc1C(=O)[O-] ZINC000426664430 1022632352 /nfs/dbraw/zinc/63/23/52/1022632352.db2.gz FMVOJIKADCQYLG-UHFFFAOYSA-N -1 1 326.421 3.847 20 0 EHADMM Cc1cnc(SCCCc2ccccc2Br)[n-]c1=O ZINC000517760073 1022641130 /nfs/dbraw/zinc/64/11/30/1022641130.db2.gz ZFOZQKFPRFDXML-UHFFFAOYSA-N -1 1 339.258 3.978 20 0 EHADMM COc1ccc2nc(C(=O)Nc3ccc([O-])c(Cl)c3)ccc2c1 ZINC000111668034 1022697907 /nfs/dbraw/zinc/69/79/07/1022697907.db2.gz AXPXRSYAEZKICE-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000276768816 1022756591 /nfs/dbraw/zinc/75/65/91/1022756591.db2.gz NAWPYYCESYIZQN-UHFFFAOYSA-N -1 1 347.667 3.588 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000050273144 1022893862 /nfs/dbraw/zinc/89/38/62/1022893862.db2.gz WWVDPGMRVAWVMA-ZDUSSCGKSA-N -1 1 346.224 3.784 20 0 EHADMM CSCc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000438778770 1022994343 /nfs/dbraw/zinc/99/43/43/1022994343.db2.gz SASXHKFWZJSHFT-UHFFFAOYSA-N -1 1 325.430 3.798 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000438806075 1023018415 /nfs/dbraw/zinc/01/84/15/1023018415.db2.gz CVPCOKRMXVILCU-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1nc2c(s1)C[C@H](C)CC2)c1ccccc1 ZINC000426754267 1023025089 /nfs/dbraw/zinc/02/50/89/1023025089.db2.gz OZDCZRHKJUPMOT-VFVRVIDISA-N -1 1 344.480 3.820 20 0 EHADMM CN(C(=O)c1ccc(O)cc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000187923805 1023037247 /nfs/dbraw/zinc/03/72/47/1023037247.db2.gz MKWULFHDJHDPDV-UHFFFAOYSA-N -1 1 349.386 3.953 20 0 EHADMM O=C([O-])C[C@H](NCc1cccc2cccnc21)c1ccc(F)cc1F ZINC000426829801 1023060255 /nfs/dbraw/zinc/06/02/55/1023060255.db2.gz RQMQYONIOWTKOB-KRWDZBQOSA-N -1 1 342.345 3.819 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(C)c1 ZINC000509572213 1023070474 /nfs/dbraw/zinc/07/04/74/1023070474.db2.gz ULCQIKICJUCYOT-UHFFFAOYSA-N -1 1 348.449 3.804 20 0 EHADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000427015976 1023158978 /nfs/dbraw/zinc/15/89/78/1023158978.db2.gz LFEZVCVAWDRUHL-KRWDZBQOSA-N -1 1 341.480 3.733 20 0 EHADMM CC(C)Oc1cccc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000280813195 1023181974 /nfs/dbraw/zinc/18/19/74/1023181974.db2.gz QXKWSFPFYXTUNM-LLVKDONJSA-N -1 1 335.350 3.949 20 0 EHADMM COCCOc1c(Cl)cccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295289351 1023205087 /nfs/dbraw/zinc/20/50/87/1023205087.db2.gz LGUOYTJQTIDTCF-UHFFFAOYSA-N -1 1 345.848 3.565 20 0 EHADMM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000507347988 1023259525 /nfs/dbraw/zinc/25/95/25/1023259525.db2.gz IZTYYDBRSLHFHD-LBPRGKRZSA-N -1 1 337.379 3.533 20 0 EHADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Cl)cc1F ZINC000431148158 1023340147 /nfs/dbraw/zinc/34/01/47/1023340147.db2.gz FTVXKGLFUPAUPJ-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cccs2)c1Br ZINC000132480619 1023415646 /nfs/dbraw/zinc/41/56/46/1023415646.db2.gz AWIARCPQBHFLLO-UHFFFAOYSA-N -1 1 332.244 3.620 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Br)o1)c1ccccc1 ZINC000276938139 1023424372 /nfs/dbraw/zinc/42/43/72/1023424372.db2.gz ACVMJCUGANLOHY-QMTHXVAHSA-N -1 1 338.201 3.594 20 0 EHADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000133577067 1023495239 /nfs/dbraw/zinc/49/52/39/1023495239.db2.gz STNKMGQXTVVJEP-DGCLKSJQSA-N -1 1 344.274 3.559 20 0 EHADMM COc1cc(C(=O)N(C)Cc2cc(C)cc(C)c2)cc(Cl)c1[O-] ZINC000434341296 1023968392 /nfs/dbraw/zinc/96/83/92/1023968392.db2.gz KPIAKWJEEVVZSH-UHFFFAOYSA-N -1 1 333.815 3.943 20 0 EHADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000093908288 1024098581 /nfs/dbraw/zinc/09/85/81/1024098581.db2.gz LSRNJVIOWRYYIM-INIZCTEOSA-N -1 1 345.370 3.526 20 0 EHADMM CC(C)CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CC1 ZINC000093927334 1024114226 /nfs/dbraw/zinc/11/42/26/1024114226.db2.gz BMRDCEYJGLUBKE-UHFFFAOYSA-N -1 1 348.443 4.000 20 0 EHADMM CCN(CC)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)o1 ZINC000909512212 1024201737 /nfs/dbraw/zinc/20/17/37/1024201737.db2.gz CXEUCEXRTQCMGK-UHFFFAOYSA-N -1 1 344.411 3.689 20 0 EHADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000434635967 1024216055 /nfs/dbraw/zinc/21/60/55/1024216055.db2.gz XZYNDBDLYREEKK-UHFFFAOYSA-N -1 1 349.452 3.900 20 0 EHADMM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001211889359 1024310259 /nfs/dbraw/zinc/31/02/59/1024310259.db2.gz BDZUTDPOKPDDDK-NWDGAFQWSA-N -1 1 325.405 3.677 20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000520678333 1024414364 /nfs/dbraw/zinc/41/43/64/1024414364.db2.gz MUXMEFDIOOZBEC-CYBMUJFWSA-N -1 1 347.436 3.600 20 0 EHADMM C[C@H](N=c1ccc(N2CCC(C(F)F)CC2)n[n-]1)c1ccccc1 ZINC000425238158 1024496464 /nfs/dbraw/zinc/49/64/64/1024496464.db2.gz MJFJORQMNXHGFN-ZDUSSCGKSA-N -1 1 332.398 3.553 20 0 EHADMM CSC[C@H]1CCCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 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3.612 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1nc2ccccc2cc1C1CC1 ZINC000892153425 1025031454 /nfs/dbraw/zinc/03/14/54/1025031454.db2.gz QCGGVLCAUQVDQU-UHFFFAOYSA-N -1 1 347.300 3.501 20 0 EHADMM O=C1CCCc2cc(-c3nc(-c4ccc([O-])cc4F)no3)ccc2N1 ZINC000685365814 1033256836 /nfs/dbraw/zinc/25/68/36/1033256836.db2.gz DZLNGSYDHFZHNK-UHFFFAOYSA-N -1 1 339.326 3.523 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C ZINC000435721340 1025105939 /nfs/dbraw/zinc/10/59/39/1025105939.db2.gz HZCDXUOKISJMHG-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(F)c1 ZINC000442239547 1025221095 /nfs/dbraw/zinc/22/10/95/1025221095.db2.gz DENDMTBFRGBVIC-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1nc(-c2ccc(N[C@H]3CCS[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000896247618 1025276913 /nfs/dbraw/zinc/27/69/13/1025276913.db2.gz UWRSEAGASLAELR-YGRLFVJLSA-N -1 1 330.457 3.557 20 0 EHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)cc1 ZINC000014256639 1025459748 /nfs/dbraw/zinc/45/97/48/1025459748.db2.gz DHRZZCZCLKYTQL-CYBMUJFWSA-N -1 1 347.436 3.788 20 0 EHADMM COc1cc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)cc(Cl)c1[O-] ZINC000442800475 1025494236 /nfs/dbraw/zinc/49/42/36/1025494236.db2.gz JZQRNDKZGXEGCA-JTQLQIEISA-N -1 1 339.741 3.761 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)C)cc2)c1 ZINC000451094632 1025538536 /nfs/dbraw/zinc/53/85/36/1025538536.db2.gz GAOCOFRNAODESH-UHFFFAOYSA-N -1 1 347.436 3.725 20 0 EHADMM COc1cc(C(=O)NCc2c(C)cc(C)cc2C)cc(Cl)c1[O-] ZINC000442868757 1025543625 /nfs/dbraw/zinc/54/36/25/1025543625.db2.gz RLNXZHDFLXQYGQ-UHFFFAOYSA-N -1 1 333.815 3.909 20 0 EHADMM CSc1n[nH]c(NC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)n1 ZINC000347138604 1025560826 /nfs/dbraw/zinc/56/08/26/1025560826.db2.gz MTELJKCVUAOIJT-STQMWFEESA-N -1 1 340.493 3.621 20 0 EHADMM COc1cc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc(Cl)c1[O-] ZINC000442953083 1025603968 /nfs/dbraw/zinc/60/39/68/1025603968.db2.gz WCHHSCKBPLEDLD-KCXRBIIJSA-N -1 1 335.831 3.705 20 0 EHADMM Cn1ccc2c(NC(=O)c3ccc4ccccc4c3[O-])cccc2c1=O ZINC000436491538 1025773808 /nfs/dbraw/zinc/77/38/08/1025773808.db2.gz LFVMLSFWOMQKDB-UHFFFAOYSA-N -1 1 344.370 3.650 20 0 EHADMM COCc1cc(CNC(=O)c2cc3ccccc3cc2[O-])ccc1F ZINC000436492861 1025774390 /nfs/dbraw/zinc/77/43/90/1025774390.db2.gz SGBBVCHRJDCZKP-UHFFFAOYSA-N -1 1 339.366 3.761 20 0 EHADMM CC(C)[C@H](C[N-]S(=O)(=O)c1sccc1Cl)c1cccnc1 ZINC000451299970 1025787002 /nfs/dbraw/zinc/78/70/02/1025787002.db2.gz KYOWSNRQCOJSJM-LBPRGKRZSA-N -1 1 344.889 3.515 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(F)c3ccccc23)c1 ZINC000436503767 1025794727 /nfs/dbraw/zinc/79/47/27/1025794727.db2.gz IVAUVZATVIFRGK-UHFFFAOYSA-N -1 1 339.322 3.723 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000436503270 1025796041 /nfs/dbraw/zinc/79/60/41/1025796041.db2.gz JQCOJHBFVQFSPX-UHFFFAOYSA-N -1 1 340.162 3.738 20 0 EHADMM COc1cccc(Cc2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)c1 ZINC000443205910 1025811563 /nfs/dbraw/zinc/81/15/63/1025811563.db2.gz DYYIMJTVQZWYPO-UHFFFAOYSA-N -1 1 346.770 3.704 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc(OC(F)F)c(F)c3)n2)c(F)c1 ZINC000436522434 1025824847 /nfs/dbraw/zinc/82/48/47/1025824847.db2.gz UKJHOXLZEIELCN-UHFFFAOYSA-N -1 1 340.232 3.989 20 0 EHADMM CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436527001 1025830342 /nfs/dbraw/zinc/83/03/42/1025830342.db2.gz KDYAIEHDTUJPJZ-UHFFFAOYSA-N -1 1 337.778 3.726 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(SC(C)C)cc2)c1 ZINC000436517262 1025848872 /nfs/dbraw/zinc/84/88/72/1025848872.db2.gz YZPGZCYESJCBRM-UHFFFAOYSA-N -1 1 345.420 3.932 20 0 EHADMM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436554328 1025862591 /nfs/dbraw/zinc/86/25/91/1025862591.db2.gz KIKKALVLQHXAPC-INIZCTEOSA-N -1 1 327.424 3.967 20 0 EHADMM CCc1cnc(CCNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000436577733 1025882942 /nfs/dbraw/zinc/88/29/42/1025882942.db2.gz VDJXVADSINUTFM-UHFFFAOYSA-N -1 1 326.421 3.537 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000443289005 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O=C(Nc1ccc(Cl)cc1[O-])c1cn(-c2cccc(Cl)c2)nn1 ZINC000444264565 1025981749 /nfs/dbraw/zinc/98/17/49/1025981749.db2.gz ZLUTXHJKSRPVOS-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM O=C(C(=O)N1Cc2ccccc2-c2ccccc2C1)c1ccc([O-])cc1 ZINC000436668109 1026005043 /nfs/dbraw/zinc/00/50/43/1026005043.db2.gz WUNXJXFAUBEIAP-UHFFFAOYSA-N -1 1 343.382 3.784 20 0 EHADMM CCOc1cc(-c2noc([C@H](C)[C@@H](C)COC)n2)cc(Cl)c1[O-] ZINC000436659257 1026020435 /nfs/dbraw/zinc/02/04/35/1026020435.db2.gz YQNWVHCXJWDDEA-VHSXEESVSA-N -1 1 340.807 3.880 20 0 EHADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000436686382 1026042498 /nfs/dbraw/zinc/04/24/98/1026042498.db2.gz GWORZQWQXLORRF-BJOHPYRUSA-N -1 1 337.828 3.539 20 0 EHADMM CCc1ccc(NC(=O)CSc2nc(C)c(C3CC3)c(=O)[n-]2)cc1 ZINC000631028671 1026047578 /nfs/dbraw/zinc/04/75/78/1026047578.db2.gz MVPUNGXYEOIMIM-UHFFFAOYSA-N -1 1 343.452 3.661 20 0 EHADMM O=C(NCCCCc1ccc(Cl)s1)c1ccc([O-])cc1F ZINC000436698591 1026057190 /nfs/dbraw/zinc/05/71/90/1026057190.db2.gz 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ZINC000516187618 1026122371 /nfs/dbraw/zinc/12/23/71/1026122371.db2.gz BOSPBOHLQNTUBI-UHFFFAOYSA-N -1 1 347.374 3.665 20 0 EHADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896991438 1026197341 /nfs/dbraw/zinc/19/73/41/1026197341.db2.gz WMXIFDGZEZRTCA-HIFRSBDPSA-N -1 1 345.464 3.997 20 0 EHADMM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870626 1026254099 /nfs/dbraw/zinc/25/40/99/1026254099.db2.gz MKXTYTZUNAASSD-UHFFFAOYSA-N -1 1 338.241 3.510 20 0 EHADMM COC(=O)Cc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000582597255 1026692464 /nfs/dbraw/zinc/69/24/64/1026692464.db2.gz GFDFKVWELOALLP-UHFFFAOYSA-N -1 1 335.359 3.513 20 0 EHADMM CCC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000531617955 1027123384 /nfs/dbraw/zinc/12/33/84/1027123384.db2.gz KBICTDFHNGICAR-UHFFFAOYSA-N -1 1 348.196 4.000 20 0 EHADMM Cc1nc(-c2ccc(NCCCNc3ccccc3)nc2)[n-]c(=O)c1C ZINC000302734454 1027261824 /nfs/dbraw/zinc/26/18/24/1027261824.db2.gz OEIVKFQQYRWOHM-UHFFFAOYSA-N -1 1 349.438 3.775 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(F)cc1Br ZINC000531756353 1027283794 /nfs/dbraw/zinc/28/37/94/1027283794.db2.gz RXDIOBARPHWNAV-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2cccc(Cl)c2)n1 ZINC000531756036 1027285962 /nfs/dbraw/zinc/28/59/62/1027285962.db2.gz NXVZXWKRXUQXOE-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)co1 ZINC000444392850 1027436506 /nfs/dbraw/zinc/43/65/06/1027436506.db2.gz PBYTXTBWMYIOKD-UHFFFAOYSA-N -1 1 342.395 3.608 20 0 EHADMM Cc1nc(C2CC2)oc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000273457855 1027436692 /nfs/dbraw/zinc/43/66/92/1027436692.db2.gz FUQSRNVCGXRSLU-UHFFFAOYSA-N -1 1 326.381 3.631 20 0 EHADMM CCCC1(CNC(=O)c2ccc(Br)c([O-])c2)CCC1 ZINC000392107123 1027616015 /nfs/dbraw/zinc/61/60/15/1027616015.db2.gz RRNJZYHKQAHYRD-UHFFFAOYSA-N -1 1 326.234 3.855 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000614801631 1027806862 /nfs/dbraw/zinc/80/68/62/1027806862.db2.gz XDDAHQVAUANXHQ-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(OC3COC3)cc2)c([O-])c1 ZINC000444528964 1028012072 /nfs/dbraw/zinc/01/20/72/1028012072.db2.gz QLGAOGLQVDDYSI-UHFFFAOYSA-N -1 1 327.380 3.546 20 0 EHADMM CC(C)(C)[C@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)c2ccccc21 ZINC000444637960 1028088214 /nfs/dbraw/zinc/08/82/14/1028088214.db2.gz SVIRDADANZUSCH-AWEZNQCLSA-N -1 1 341.480 3.929 20 0 EHADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000134690308 1028140421 /nfs/dbraw/zinc/14/04/21/1028140421.db2.gz CTEJZUPCHHOJFO-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc(F)c(F)c1F ZINC000078736469 1028160870 /nfs/dbraw/zinc/16/08/70/1028160870.db2.gz RHDHKLDJPQXYFR-UHFFFAOYSA-N -1 1 341.339 3.936 20 0 EHADMM COc1cc(C(=O)N(C)CCCOc2ccccc2)cc(Cl)c1[O-] ZINC000153566861 1028203111 /nfs/dbraw/zinc/20/31/11/1028203111.db2.gz NKJLMHJEJYJTDU-UHFFFAOYSA-N -1 1 349.814 3.595 20 0 EHADMM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000614852821 1028225286 /nfs/dbraw/zinc/22/52/86/1028225286.db2.gz RCNLLUDIBYTZTG-UHFFFAOYSA-N -1 1 335.425 3.512 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3ccc(C4CC4)nc3C)[nH][n-]2)s1 ZINC000582945358 1028341675 /nfs/dbraw/zinc/34/16/75/1028341675.db2.gz QNAFEFOMHLEAKM-UHFFFAOYSA-N -1 1 338.436 3.702 20 0 EHADMM O=C(Nc1ccc(Br)cc1)c1c(F)ccc([O-])c1F ZINC000503247818 1028364256 /nfs/dbraw/zinc/36/42/56/1028364256.db2.gz RLFRCFIENHSPMG-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM Cc1noc([N-]C(=O)c2sc(-c3ccc(Cl)s3)nc2C)n1 ZINC000070822693 1028463109 /nfs/dbraw/zinc/46/31/09/1028463109.db2.gz RMOARBZRDWYEJH-UHFFFAOYSA-N -1 1 340.817 3.777 20 0 EHADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000523729301 1028571735 /nfs/dbraw/zinc/57/17/35/1028571735.db2.gz NNRPTYJTHNXTAJ-UHFFFAOYSA-N -1 1 345.827 3.674 20 0 EHADMM Cc1cc(NS(=O)(=O)c2csc3ccccc32)ccc1C(=O)[O-] ZINC000504601506 1028753435 /nfs/dbraw/zinc/75/34/35/1028753435.db2.gz LYWBGEZJENMFQJ-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2s1 ZINC000247821374 1028818236 /nfs/dbraw/zinc/81/82/36/1028818236.db2.gz GTRUQIWUXBBNIB-UHFFFAOYSA-N -1 1 336.413 3.853 20 0 EHADMM [O-]c1ccc(-c2noc(CCCc3nc(C4CC4)no3)n2)c(Cl)c1 ZINC000445452354 1028818378 /nfs/dbraw/zinc/81/83/78/1028818378.db2.gz QUTMLPKBZKMRNJ-UHFFFAOYSA-N -1 1 346.774 3.531 20 0 EHADMM Cc1cc(C)nc(SCc2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000445453013 1028821102 /nfs/dbraw/zinc/82/11/02/1028821102.db2.gz UXHXFIWGFCMXPN-UHFFFAOYSA-N -1 1 348.815 3.795 20 0 EHADMM Cc1cccc(OCCc2nc(-c3ccc([O-])cc3F)no2)c1C ZINC000445455323 1028824073 /nfs/dbraw/zinc/82/40/73/1028824073.db2.gz CVASVPBQTXKBAE-UHFFFAOYSA-N -1 1 328.343 3.820 20 0 EHADMM COc1ccc(C[C@H](C)c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445456179 1028824357 /nfs/dbraw/zinc/82/43/57/1028824357.db2.gz SNUIHLHKTOPDSZ-NSHDSACASA-N -1 1 328.343 3.936 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cccnc3C(F)(F)F)n2)cc1F ZINC000445477339 1028834779 /nfs/dbraw/zinc/83/47/79/1028834779.db2.gz NEEQHOGSYCVTQC-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM COc1cccc(CO[C@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445476310 1028856434 /nfs/dbraw/zinc/85/64/34/1028856434.db2.gz BAYUCPNBVAYIQI-LLVKDONJSA-N -1 1 344.342 3.868 20 0 EHADMM O=C([O-])CC[C@H]1CCCCN1Cc1csc(Nc2ccccc2)n1 ZINC000424253865 1028912870 /nfs/dbraw/zinc/91/28/70/1028912870.db2.gz GKWCZPJKVWKATP-MRXNPFEDSA-N -1 1 345.468 3.528 20 0 EHADMM COc1cc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000153914125 1028917190 /nfs/dbraw/zinc/91/71/90/1028917190.db2.gz BRTRFZVECPRVBR-ZBEGNZNMSA-N -1 1 331.799 3.887 20 0 EHADMM CC(C)c1nc(=NCC2(c3cccc(C(F)(F)F)c3)CC2)o[n-]1 ZINC000524241948 1029018407 /nfs/dbraw/zinc/01/84/07/1029018407.db2.gz LLWMAEXQADGZAJ-UHFFFAOYSA-N -1 1 325.334 3.777 20 0 EHADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000445696146 1029060270 /nfs/dbraw/zinc/06/02/70/1029060270.db2.gz DCFZBIVKPAGZFI-VIFPVBQESA-N -1 1 347.761 3.734 20 0 EHADMM COCCCOc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000445771540 1029132289 /nfs/dbraw/zinc/13/22/89/1029132289.db2.gz HCPDBBMISZENNX-UHFFFAOYSA-N -1 1 344.342 3.664 20 0 EHADMM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1cc2ccccc2o1 ZINC000150820122 1029176650 /nfs/dbraw/zinc/17/66/50/1029176650.db2.gz BNFMPDHUZWVINS-UHFFFAOYSA-N -1 1 331.368 3.540 20 0 EHADMM CC1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCCC1 ZINC000561302220 1029218983 /nfs/dbraw/zinc/21/89/83/1029218983.db2.gz UTOSOGLXFVEJLJ-UHFFFAOYSA-N -1 1 328.286 3.914 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(C(F)(F)F)CC1 ZINC000271956708 1029245052 /nfs/dbraw/zinc/24/50/52/1029245052.db2.gz FHAFZLVATYMTQU-UHFFFAOYSA-N -1 1 341.251 3.826 20 0 EHADMM COCC[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccco1 ZINC000272447297 1029463623 /nfs/dbraw/zinc/46/36/23/1029463623.db2.gz BIMGVPASZOCCGM-GFCCVEGCSA-N -1 1 345.292 3.544 20 0 EHADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H]1C1CCCCC1 ZINC000079410231 1029640248 /nfs/dbraw/zinc/64/02/48/1029640248.db2.gz QTESMCDIXOWHJD-MRXNPFEDSA-N -1 1 325.412 3.520 20 0 EHADMM COC(=O)[C@H]1CCC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000278250620 1029807986 /nfs/dbraw/zinc/80/79/86/1029807986.db2.gz TXFBSVRFVNMDIY-UWVGGRQHSA-N -1 1 336.775 3.542 20 0 EHADMM Cc1nc(C)c(S(=O)(=O)[N-]c2c(Cl)ccc(C)c2C)s1 ZINC000446964826 1029867815 /nfs/dbraw/zinc/86/78/15/1029867815.db2.gz CVEFVEZWXGQCQK-UHFFFAOYSA-N -1 1 330.862 3.831 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccc(-c2ccc(OC)c(Cl)c2)cn1 ZINC000481845955 1030039861 /nfs/dbraw/zinc/03/98/61/1030039861.db2.gz IQQBTYMBPSTJKX-UHFFFAOYSA-N -1 1 340.832 3.562 20 0 EHADMM Cc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c(Br)c1 ZINC000161767779 1030102814 /nfs/dbraw/zinc/10/28/14/1030102814.db2.gz ABWZOWZCFGRAKM-CQSZACIVSA-N -1 1 340.261 3.977 20 0 EHADMM C[C@H]1C[C@@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)CCO1 ZINC000583685929 1030453435 /nfs/dbraw/zinc/45/34/35/1030453435.db2.gz FLOOWZMIDXWUOD-YUMQZZPRSA-N -1 1 348.624 3.562 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc3ncccc32)[nH]n1 ZINC000162942302 1030460849 /nfs/dbraw/zinc/46/08/49/1030460849.db2.gz WXEDWCKBPSHBNE-GFCCVEGCSA-N -1 1 344.440 3.662 20 0 EHADMM O=C(Nc1nn[n-]n1)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000060850211 1030691958 /nfs/dbraw/zinc/69/19/58/1030691958.db2.gz QZESYVXRNQGPES-UHFFFAOYSA-N -1 1 348.602 3.627 20 0 EHADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000022902923 1030740938 /nfs/dbraw/zinc/74/09/38/1030740938.db2.gz HXNDJRDCYWGPIR-UHFFFAOYSA-N -1 1 343.404 3.717 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1c(F)cccc1Br ZINC000394784784 1030939986 /nfs/dbraw/zinc/93/99/86/1030939986.db2.gz NXAUIUQCBZZSLC-NSHDSACASA-N -1 1 344.224 3.808 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161956181 1031222273 /nfs/dbraw/zinc/22/22/73/1031222273.db2.gz QPSWPSPGTPWCTB-OAHLLOKOSA-N -1 1 344.224 3.665 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1OCC1CC1 ZINC000477119545 1031270103 /nfs/dbraw/zinc/27/01/03/1031270103.db2.gz BTAUAMZLFWGBPW-UHFFFAOYSA-N -1 1 349.390 3.823 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCCO[C@H](c2ccccc2)C1 ZINC000729863003 1031309209 /nfs/dbraw/zinc/30/92/09/1031309209.db2.gz LITCKENUOOISRT-INIZCTEOSA-N -1 1 331.799 3.649 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(OCC2CCCC2)CC1 ZINC000175639563 1031323159 /nfs/dbraw/zinc/32/31/59/1031323159.db2.gz PQXCYNKNELTHLG-UHFFFAOYSA-N -1 1 337.847 3.857 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-]c1[nH]nc(C)c1-c1ccccc1 ZINC000536193005 1031440350 /nfs/dbraw/zinc/44/03/50/1031440350.db2.gz OVFLWLIGPFSBGM-UHFFFAOYSA-N -1 1 333.438 3.556 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1F ZINC000484178987 1031485994 /nfs/dbraw/zinc/48/59/94/1031485994.db2.gz XEWORMFCAJFYFA-UHFFFAOYSA-N -1 1 330.384 3.930 20 0 EHADMM CCOc1cc(F)cc(CN[C@@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000904046098 1031667685 /nfs/dbraw/zinc/66/76/85/1031667685.db2.gz UYLMPEXQEFOLHL-KRWDZBQOSA-N -1 1 335.350 3.669 20 0 EHADMM COC1([C@@H](NCc2cc(-c3ccccc3)cs2)C(=O)[O-])CCC1 ZINC000904051150 1031674357 /nfs/dbraw/zinc/67/43/57/1031674357.db2.gz SEGCCVBWYJMDJH-INIZCTEOSA-N -1 1 331.437 3.527 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1F ZINC000475740743 1031735394 /nfs/dbraw/zinc/73/53/94/1031735394.db2.gz SCXCARJXWNHIPP-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000484664612 1031871873 /nfs/dbraw/zinc/87/18/73/1031871873.db2.gz QZPPAWDHFHVWNO-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM CCOc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1OC ZINC000445461180 1031955335 /nfs/dbraw/zinc/95/53/35/1031955335.db2.gz VTXQXWJOYQXFIP-UHFFFAOYSA-N -1 1 330.315 3.656 20 0 EHADMM O=C(CCC(=O)Nc1c([O-])cccc1F)CCC(=O)c1cccs1 ZINC000608366906 1033640478 /nfs/dbraw/zinc/64/04/78/1033640478.db2.gz BEUSEOIODLKXQA-UHFFFAOYSA-N -1 1 349.383 3.544 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000322757641 1033990676 /nfs/dbraw/zinc/99/06/76/1033990676.db2.gz YVYRRMNMFIXVDB-OAHLLOKOSA-N -1 1 333.325 3.921 20 0 EHADMM Cc1ccc(C=CS(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)cc1 ZINC000761351771 1034044362 /nfs/dbraw/zinc/04/43/62/1034044362.db2.gz SPGHWIGZBLYJPY-VAWYXSNFSA-N -1 1 339.420 3.798 20 0 EHADMM CC1(C)OCC(C)(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CO1 ZINC000529538820 1034141856 /nfs/dbraw/zinc/14/18/56/1034141856.db2.gz KSHIRCNNKJPESA-UHFFFAOYSA-N -1 1 349.814 3.927 20 0 EHADMM COc1cc(C(=O)N2CCCc3ccccc3CC2)cc(Cl)c1[O-] ZINC000456308760 1034313069 /nfs/dbraw/zinc/31/30/69/1034313069.db2.gz GYHZFHPBPJMOTB-UHFFFAOYSA-N -1 1 345.826 3.685 20 0 EHADMM CCC(C)(C)C1CCC(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1 ZINC000548897807 1034416097 /nfs/dbraw/zinc/41/60/97/1034416097.db2.gz CWGJBZWZZCAMLC-PCKAHOCUSA-N -1 1 347.507 3.538 20 0 EHADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597315939 1034684588 /nfs/dbraw/zinc/68/45/88/1034684588.db2.gz OUGLUYGYOOKPSD-KBPBESRZSA-N -1 1 330.453 3.687 20 0 EHADMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(F)c(F)c(F)c1F ZINC000060517267 1034684620 /nfs/dbraw/zinc/68/46/20/1034684620.db2.gz LROLKDSZQJWGSY-UHFFFAOYSA-N -1 1 332.184 3.543 20 0 EHADMM O=C(COc1ccc(Cl)c(Cl)c1)Nc1c([O-])cccc1F ZINC000605440738 1034734912 /nfs/dbraw/zinc/73/49/12/1034734912.db2.gz ZRAURWBVTWBTHY-UHFFFAOYSA-N -1 1 330.142 3.856 20 0 EHADMM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000605588152 1034790117 /nfs/dbraw/zinc/79/01/17/1034790117.db2.gz DRZXUZRHPKAIQA-MRVPVSSYSA-N -1 1 346.301 3.538 20 0 EHADMM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000456837698 1034784994 /nfs/dbraw/zinc/78/49/94/1034784994.db2.gz BSWDSYRVHYEYMR-OLZOCXBDSA-N -1 1 337.489 3.549 20 0 EHADMM COc1cccc(C2(C(=O)Nc3cccc(F)c3[O-])CCCC2)c1 ZINC000530007466 1034853727 /nfs/dbraw/zinc/85/37/27/1034853727.db2.gz VSCKQSNTKSMVDD-UHFFFAOYSA-N -1 1 329.371 3.990 20 0 EHADMM CCSCC[C@H](C)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000152369810 1034942281 /nfs/dbraw/zinc/94/22/81/1034942281.db2.gz HUDCCTAISIAVRN-JTQLQIEISA-N -1 1 346.290 3.758 20 0 EHADMM CCC(CC)(CCSc1nc(C(F)F)cc(=O)[n-]1)C(=O)OC ZINC000450959236 1034986181 /nfs/dbraw/zinc/98/61/81/1034986181.db2.gz OSZFMSZRWMUGAV-UHFFFAOYSA-N -1 1 334.388 3.581 20 0 EHADMM Cc1cc(Br)c(CN(C)[C@@H](C)CC(=O)[O-])cc1Cl ZINC000530166513 1035015995 /nfs/dbraw/zinc/01/59/95/1035015995.db2.gz PPQXNVJPLLLYJE-VIFPVBQESA-N -1 1 334.641 3.706 20 0 EHADMM CC(C)c1ccccc1NC(=S)N[N-]C(=O)c1cccc(F)c1F ZINC000066123367 1035243460 /nfs/dbraw/zinc/24/34/60/1035243460.db2.gz VFYZKKFXZUIOCE-UHFFFAOYSA-N -1 1 349.406 3.720 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](C(C)C)C(F)(F)F)cc(Cl)c1[O-] ZINC000413990605 1035332989 /nfs/dbraw/zinc/33/29/89/1035332989.db2.gz NHWVGFZALSCKCY-LBPRGKRZSA-N -1 1 339.741 3.761 20 0 EHADMM CCOc1cc(C(=O)NCC(C)(C)c2cccnc2)cc(Cl)c1[O-] ZINC000414014064 1035364045 /nfs/dbraw/zinc/36/40/45/1035364045.db2.gz VUUWYNPOLJGIFK-UHFFFAOYSA-N -1 1 348.830 3.547 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@]2(CCSC2)C1 ZINC000456883682 1035498426 /nfs/dbraw/zinc/49/84/26/1035498426.db2.gz WVMGJJZNZVRKBH-LJQANCHMSA-N -1 1 327.449 3.905 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000055574127 1035613379 /nfs/dbraw/zinc/61/33/79/1035613379.db2.gz KWUUUEMLVWHKIH-UHFFFAOYSA-N -1 1 349.214 3.824 20 0 EHADMM CCCCCN(CCCOC)C(=O)c1ncc2ccccc2c1[O-] ZINC000613362657 1035659882 /nfs/dbraw/zinc/65/98/82/1035659882.db2.gz GLWKZAVRCKXMNI-UHFFFAOYSA-N -1 1 330.428 3.609 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000511501340 1035714302 /nfs/dbraw/zinc/71/43/02/1035714302.db2.gz VFEZFKNWINFZHP-NXEZZACHSA-N -1 1 343.374 3.867 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(F)c(Cl)c1F ZINC000540885763 1035761909 /nfs/dbraw/zinc/76/19/09/1035761909.db2.gz GWXUPNRBDBNEMZ-UHFFFAOYSA-N -1 1 339.754 3.744 20 0 EHADMM Cc1ccc(C2CCN(C(=O)c3ncc4ccccc4c3[O-])CC2)cn1 ZINC000613421274 1035809514 /nfs/dbraw/zinc/80/95/14/1035809514.db2.gz BONYESMPCRKSFI-UHFFFAOYSA-N -1 1 347.418 3.664 20 0 EHADMM CC(C)C[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000307772490 1036267710 /nfs/dbraw/zinc/26/77/10/1036267710.db2.gz IOCLTCBMUMZMGC-LLVKDONJSA-N -1 1 326.234 3.663 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1 ZINC000589429896 1036424796 /nfs/dbraw/zinc/42/47/96/1036424796.db2.gz IMSCNFJZGPBFJV-UHFFFAOYSA-N -1 1 339.416 3.748 20 0 EHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2n[nH]cc2cc1C ZINC000589980878 1036700642 /nfs/dbraw/zinc/70/06/42/1036700642.db2.gz URMFGGTTWQZZKO-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ncoc1C1CC1 ZINC000343103868 1036861641 /nfs/dbraw/zinc/86/16/41/1036861641.db2.gz KOMVJDZVWNFVQZ-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM C/C=C/C=C/C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000493223145 1036933041 /nfs/dbraw/zinc/93/30/41/1036933041.db2.gz BYCDWRYSBCYOLR-MQQKCMAXSA-N -1 1 340.354 3.854 20 0 EHADMM Cc1ccc(NS(=O)(=O)c2csc3ccccc32)cc1C(=O)[O-] ZINC000504594802 1036984341 /nfs/dbraw/zinc/98/43/41/1036984341.db2.gz YRPPHIVSUNYZHH-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1[C@@H](C)C1CC1 ZINC000516619330 1037088618 /nfs/dbraw/zinc/08/86/18/1037088618.db2.gz ILNJSVSNBDUTAN-JTQLQIEISA-N -1 1 328.347 3.724 20 0 EHADMM CCOc1cc(C(=O)NCc2cc(C)cc(OC)c2)cc(Cl)c1[O-] ZINC000186917597 1037124782 /nfs/dbraw/zinc/12/47/82/1037124782.db2.gz YQFOQZFIQLQCHE-UHFFFAOYSA-N -1 1 349.814 3.691 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000669933772 1037369795 /nfs/dbraw/zinc/36/97/95/1037369795.db2.gz VKVGFUDMWBKXPI-CYBMUJFWSA-N -1 1 331.309 3.726 20 0 EHADMM Cc1nc(-c2ccc(N[C@H]3CCc4ccccc4C3)nc2)[n-]c(=O)c1C ZINC000462788039 1037394459 /nfs/dbraw/zinc/39/44/59/1037394459.db2.gz BABUSOOIVGAAHU-SFHVURJKSA-N -1 1 346.434 3.830 20 0 EHADMM CN(Cc1cscn1)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058206377 1037650834 /nfs/dbraw/zinc/65/08/34/1037650834.db2.gz LDUYPOSDKYAXLX-UHFFFAOYSA-N -1 1 337.518 3.609 20 0 EHADMM CCCCc1nc(C)c(CC(=O)[N-]OCCCC(F)(F)F)s1 ZINC000913727517 1037687444 /nfs/dbraw/zinc/68/74/44/1037687444.db2.gz JFGPUUZVBFREQG-UHFFFAOYSA-N -1 1 338.395 3.727 20 0 EHADMM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001625894454 1037806326 /nfs/dbraw/zinc/80/63/26/1037806326.db2.gz XZTBTXWZPLHEFD-USBNGQNGSA-N -1 1 327.371 3.983 20 0 EHADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC000532620970 1037942180 /nfs/dbraw/zinc/94/21/80/1037942180.db2.gz SHGKHQJQWXJKCB-SECBINFHSA-N -1 1 343.276 3.956 20 0 EHADMM C[C@@H](CSCCNCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000592461413 1037996213 /nfs/dbraw/zinc/99/62/13/1037996213.db2.gz FRECKUCACQIJML-ZETCQYMHSA-N -1 1 328.286 3.598 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000123984683 1038112504 /nfs/dbraw/zinc/11/25/04/1038112504.db2.gz UFCXZNOWEIJYIC-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nc2ccccc12 ZINC000339123344 1038362311 /nfs/dbraw/zinc/36/23/11/1038362311.db2.gz LTKDZPRJVXVPIE-UHFFFAOYSA-N -1 1 344.374 3.891 20 0 EHADMM O=C(CCn1ccc2ccccc21)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339136641 1038426239 /nfs/dbraw/zinc/42/62/39/1038426239.db2.gz XZBWPHGFCHRYOR-UHFFFAOYSA-N -1 1 346.390 3.766 20 0 EHADMM COc1ccc(Cl)cc1CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000025456770 1038563049 /nfs/dbraw/zinc/56/30/49/1038563049.db2.gz HOPZXHUFYQRTHC-UHFFFAOYSA-N -1 1 340.206 3.980 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccccc3CC)c2C1 ZINC000488253799 1039009921 /nfs/dbraw/zinc/00/99/21/1039009921.db2.gz LQDUVAWTFCKDKS-UHFFFAOYSA-N -1 1 344.480 3.775 20 0 EHADMM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)cc1C ZINC000554183313 1039029207 /nfs/dbraw/zinc/02/92/07/1039029207.db2.gz BDNKBEORLJCOMR-CYBMUJFWSA-N -1 1 331.441 3.535 20 0 EHADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC)c1 ZINC000488298190 1039064050 /nfs/dbraw/zinc/06/40/50/1039064050.db2.gz UUVOVARBJCHOJU-UHFFFAOYSA-N -1 1 346.452 3.788 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(-c4ccoc4)[nH]n3)n2)c(Cl)c1 ZINC000584700204 1039563171 /nfs/dbraw/zinc/56/31/71/1039563171.db2.gz KFMOEACYORQINI-UHFFFAOYSA-N -1 1 328.715 3.746 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n1 ZINC000554734463 1039671323 /nfs/dbraw/zinc/67/13/23/1039671323.db2.gz OQBWMHRZHSMOSO-UHFFFAOYSA-N -1 1 346.836 3.538 20 0 EHADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc(F)c3)c2)n1 ZINC000467943421 1039719190 /nfs/dbraw/zinc/71/91/90/1039719190.db2.gz WYBMGWCGSYVJIR-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CC(C)COc1ccccc1CNCc1ccccc1CC(=O)[O-] ZINC000417547591 1039980174 /nfs/dbraw/zinc/98/01/74/1039980174.db2.gz ONNKULAYQQXWJS-UHFFFAOYSA-N -1 1 327.424 3.638 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@H](C)C1(F)F ZINC000899124425 1040060903 /nfs/dbraw/zinc/06/09/03/1040060903.db2.gz GEKFUCYAMMHDQS-PHIMTYICSA-N -1 1 335.350 3.614 20 0 EHADMM COc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000417617752 1040067027 /nfs/dbraw/zinc/06/70/27/1040067027.db2.gz CKXAPPSKINDDPD-WBVHZDCISA-N -1 1 331.799 3.751 20 0 EHADMM COc1ccccc1[C@@H](NC(=O)c1c([O-])cccc1F)c1ccco1 ZINC000165106714 1040321368 /nfs/dbraw/zinc/32/13/68/1040321368.db2.gz CADMRJRUIJRWNS-GOSISDBHSA-N -1 1 341.338 3.652 20 0 EHADMM COc1cc(NC(C)=O)ccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000486968791 1040590950 /nfs/dbraw/zinc/59/09/50/1040590950.db2.gz OOTALLNUWRGBBD-UHFFFAOYSA-N -1 1 349.774 3.657 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCCC(F)(F)C1 ZINC000908707002 1040602945 /nfs/dbraw/zinc/60/29/45/1040602945.db2.gz CVBCHEVQNVEMBJ-MRVPVSSYSA-N -1 1 334.160 3.919 20 0 EHADMM O=C(C=C1CCSCC1)Nc1cccc([O-])c1Br ZINC000908710180 1040605303 /nfs/dbraw/zinc/60/53/03/1040605303.db2.gz YUXWBNULJYEGAN-UHFFFAOYSA-N -1 1 328.231 3.547 20 0 EHADMM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc([O-])c1Br ZINC000908712150 1040607403 /nfs/dbraw/zinc/60/74/03/1040607403.db2.gz AGNVHLQZRNKXRJ-CYBMUJFWSA-N -1 1 342.233 3.831 20 0 EHADMM CCS[C@@H](C(=O)Nc1cccc([O-])c1Br)C(C)C ZINC000908716360 1040609110 /nfs/dbraw/zinc/60/91/10/1040609110.db2.gz JUQJSEXZIKVGHT-GFCCVEGCSA-N -1 1 332.263 3.871 20 0 EHADMM COc1ccc(-c2ocnc2C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000486991072 1040627785 /nfs/dbraw/zinc/62/77/85/1040627785.db2.gz ZGOCROASYBXFGK-UHFFFAOYSA-N -1 1 344.754 3.962 20 0 EHADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc([O-])c(F)cc2F)c1C(C)C ZINC000909984822 1041094616 /nfs/dbraw/zinc/09/46/16/1041094616.db2.gz ULSOPHDEHXJVHA-UHFFFAOYSA-N -1 1 336.338 3.885 20 0 EHADMM CC(C)Cn1ncc(C(=O)Nc2cc([O-])c(F)cc2F)c1C1CC1 ZINC000909985088 1041096190 /nfs/dbraw/zinc/09/61/90/1041096190.db2.gz FHLCYILJSYRULK-UHFFFAOYSA-N -1 1 335.354 3.653 20 0 EHADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2sccc2C)[nH][n-]1 ZINC000512853793 1041102981 /nfs/dbraw/zinc/10/29/81/1041102981.db2.gz CQDSUJVPUYUZNB-UHFFFAOYSA-N -1 1 347.827 3.783 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@H](C)S1 ZINC000576166446 1041189558 /nfs/dbraw/zinc/18/95/58/1041189558.db2.gz PLHMYGDADSZPAE-RWEMILLDSA-N -1 1 334.268 3.945 20 0 EHADMM CO[C@H](c1ccccc1Cl)[C@H](C)N=c1[n-]nc(C2CC2)n1C1CC1 ZINC000571219449 1041237273 /nfs/dbraw/zinc/23/72/73/1041237273.db2.gz GAZCOBQTOIRYRW-ZBEGNZNMSA-N -1 1 346.862 3.754 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000511688456 1041464255 /nfs/dbraw/zinc/46/42/55/1041464255.db2.gz RFTXJDFVPYQTPJ-UHFFFAOYSA-N -1 1 337.416 3.860 20 0 EHADMM O=C(Nc1ccncc1[O-])c1cccc(NC(=O)C2CCCCC2)c1 ZINC000109891312 1041504955 /nfs/dbraw/zinc/50/49/55/1041504955.db2.gz WYVQTIAPLYORRJ-UHFFFAOYSA-N -1 1 339.395 3.558 20 0 EHADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2O1 ZINC000047251016 1041592961 /nfs/dbraw/zinc/59/29/61/1041592961.db2.gz INEQWBREMOPGRR-UHFFFAOYSA-N -1 1 339.800 3.648 20 0 EHADMM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000026881901 1041739982 /nfs/dbraw/zinc/73/99/82/1041739982.db2.gz GXCUYGXDOHTZKD-SSDOTTSWSA-N -1 1 340.253 3.557 20 0 EHADMM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000049239548 1042452233 /nfs/dbraw/zinc/45/22/33/1042452233.db2.gz CMZRWHVSQPVTOO-BQBZGAKWSA-N -1 1 328.648 3.581 20 0 EHADMM CC[C@@H]1CN(Cc2nc3ccccc3c(C)c2C(=O)[O-])[C@@H](CC)CO1 ZINC000652438117 1042476830 /nfs/dbraw/zinc/47/68/30/1042476830.db2.gz XNKGZSFBNMZMJW-LSDHHAIUSA-N -1 1 342.439 3.631 20 0 EHADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1c1ccncc1 ZINC000663166403 1042517005 /nfs/dbraw/zinc/51/70/05/1042517005.db2.gz LXVNDUZZPGGZGH-SFHVURJKSA-N -1 1 333.391 3.559 20 0 EHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1C ZINC000007050434 1043020013 /nfs/dbraw/zinc/02/00/13/1043020013.db2.gz LQQZQOYTULTOQW-UHFFFAOYSA-N -1 1 329.425 3.597 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1 ZINC000028195904 1043052725 /nfs/dbraw/zinc/05/27/25/1043052725.db2.gz SCFOXKMKNNBPON-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(C)o1 ZINC000344384966 1043927742 /nfs/dbraw/zinc/92/77/42/1043927742.db2.gz QXDMIDFXLYDWDP-MRVPVSSYSA-N -1 1 349.786 3.868 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000163390310 1043940126 /nfs/dbraw/zinc/94/01/26/1043940126.db2.gz BFRHFWBUHGPOPV-QGZVFWFLSA-N -1 1 339.416 3.821 20 0 EHADMM CC(C)N(Cc1ccco1)C(=O)c1ccc(Br)c([O-])c1 ZINC000344476344 1044044663 /nfs/dbraw/zinc/04/46/63/1044044663.db2.gz 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/nfs/dbraw/zinc/10/00/19/1127100019.db2.gz JKPYIWHHOQHIEB-UHFFFAOYSA-N -1 1 335.747 3.766 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000181203475 1127270404 /nfs/dbraw/zinc/27/04/04/1127270404.db2.gz OWKYINORMOPSFL-UHFFFAOYSA-N -1 1 349.839 3.832 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c(C)o1 ZINC000182767917 1127346521 /nfs/dbraw/zinc/34/65/21/1127346521.db2.gz BQLPOTDGBDGBFY-UHFFFAOYSA-N -1 1 348.193 3.599 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c(C)o1 ZINC000182823501 1127349264 /nfs/dbraw/zinc/34/92/64/1127349264.db2.gz IOQKNJDBCIXUSX-UHFFFAOYSA-N -1 1 326.393 3.657 20 0 EHADMM CC[C@H](c1ccc(F)cc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000194985532 1127471485 /nfs/dbraw/zinc/47/14/85/1127471485.db2.gz XOQLDYOQCKSXJC-CQSZACIVSA-N -1 1 331.416 3.707 20 0 EHADMM Cc1cccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c1C ZINC000195079729 1127472977 /nfs/dbraw/zinc/47/29/77/1127472977.db2.gz AZABDKXETFYOPM-GFCCVEGCSA-N -1 1 343.452 3.796 20 0 EHADMM 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O=C([O-])c1ccc(CN2CCC(Oc3cccc(F)c3)CC2)cc1F ZINC000530162865 1130072600 /nfs/dbraw/zinc/07/26/00/1130072600.db2.gz BBTGMKZJAPMGCL-UHFFFAOYSA-N -1 1 347.361 3.706 20 0 EHADMM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672214177 1130472090 /nfs/dbraw/zinc/47/20/90/1130472090.db2.gz PHIQEZXSCCHZSE-AAEUAGOBSA-N -1 1 345.361 3.567 20 0 EHADMM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1c([O-])cccc1F ZINC000676339237 1130563637 /nfs/dbraw/zinc/56/36/37/1130563637.db2.gz AMINLIHDFZJUFA-UHFFFAOYSA-N -1 1 343.276 3.654 20 0 EHADMM O=C(NCc1ccc(Br)cc1)c1c([O-])cccc1Cl ZINC000730419091 1130707758 /nfs/dbraw/zinc/70/77/58/1130707758.db2.gz GDMGLUQLWLHMIW-UHFFFAOYSA-N -1 1 340.604 3.738 20 0 EHADMM Cc1cccc2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)sc21 ZINC000347972659 1131099669 /nfs/dbraw/zinc/09/96/69/1131099669.db2.gz YKGJSZROKKENMF-UHFFFAOYSA-N -1 1 326.303 3.599 20 0 EHADMM CC1CCC(=CC(=O)OCc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000734203333 1131210140 /nfs/dbraw/zinc/21/01/40/1131210140.db2.gz 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/nfs/dbraw/zinc/76/35/78/1134763578.db2.gz GZBMGSUGGNCHRT-UHFFFAOYSA-N -1 1 340.404 3.558 20 0 EHADMM COc1cc(C(=O)Nc2ccc3ccncc3c2)cc(Cl)c1[O-] ZINC001191147355 1134801598 /nfs/dbraw/zinc/80/15/98/1134801598.db2.gz MQUOCMWVKOVEIN-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM COc1cc(C(=O)N[C@@H](c2ncccc2C)C2CC2)cc(Cl)c1[O-] ZINC001191155200 1134803067 /nfs/dbraw/zinc/80/30/67/1134803067.db2.gz CIPZVPJTXSHBSC-MRXNPFEDSA-N -1 1 346.814 3.639 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3ncoc3c2)cc1 ZINC001191224420 1134829971 /nfs/dbraw/zinc/82/99/71/1134829971.db2.gz OHROHFPUGGFTCA-UHFFFAOYSA-N -1 1 330.409 3.971 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1 ZINC001191248438 1134836447 /nfs/dbraw/zinc/83/64/47/1134836447.db2.gz AVNBWRQRKAPLCN-UHFFFAOYSA-N -1 1 345.420 3.500 20 0 EHADMM Cc1c(Cl)cc(NS(=O)(=O)CC2CCCC2)c([O-])c1Cl ZINC001191530277 1134880522 /nfs/dbraw/zinc/88/05/22/1134880522.db2.gz UMJLDONDJXWAKX-UHFFFAOYSA-N -1 1 338.256 3.939 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Nc2ccc(Cl)c(C)c2)c1 ZINC001191768997 1134911436 /nfs/dbraw/zinc/91/14/36/1134911436.db2.gz PUWFQFWRSXFBNA-UHFFFAOYSA-N -1 1 334.759 3.785 20 0 EHADMM O=C([N-]c1ccnc(Cl)c1F)c1cc(-c2ccc(F)cc2)no1 ZINC001129745702 1135155495 /nfs/dbraw/zinc/15/54/95/1135155495.db2.gz MMQNEHRKJWGXFB-UHFFFAOYSA-N -1 1 335.697 3.921 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1c(F)cncc1F ZINC000804823240 1135204711 /nfs/dbraw/zinc/20/47/11/1135204711.db2.gz GLFITWQUHPBROS-MRVPVSSYSA-N -1 1 346.711 3.982 20 0 EHADMM CCc1cc2c(CN3CCc4ccc(F)cc43)cc(=O)oc2cc1[O-] ZINC001193976679 1135209129 /nfs/dbraw/zinc/20/91/29/1135209129.db2.gz LTJQPRXIYWEMRL-UHFFFAOYSA-N -1 1 339.366 3.763 20 0 EHADMM O=S(=O)([N-]c1ccc(CO)cc1)c1ccc2c(Cl)cccc2c1 ZINC001194236429 1135248617 /nfs/dbraw/zinc/24/86/17/1135248617.db2.gz QJOUNCYRALZPOV-UHFFFAOYSA-N -1 1 347.823 3.786 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(C)c1C ZINC001194836371 1135328478 /nfs/dbraw/zinc/32/84/78/1135328478.db2.gz XUYAKFSSDMGGJI-UHFFFAOYSA-N -1 1 341.379 3.699 20 0 EHADMM COc1cc(F)c(Cl)cc1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195081280 1135366367 /nfs/dbraw/zinc/36/63/67/1135366367.db2.gz PHHRWGPVYSQUOJ-UHFFFAOYSA-N -1 1 339.892 3.568 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CC3)c1 ZINC001195169621 1135386534 /nfs/dbraw/zinc/38/65/34/1135386534.db2.gz RYOHVQSISYYPEA-GOSISDBHSA-N -1 1 331.437 3.590 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2C2OCCO2)c1 ZINC001195169965 1135386589 /nfs/dbraw/zinc/38/65/89/1135386589.db2.gz YJQRMCNQAWRIGQ-UHFFFAOYSA-N -1 1 347.436 3.656 20 0 EHADMM COc1ccc(F)c(F)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195309607 1135412099 /nfs/dbraw/zinc/41/20/99/1135412099.db2.gz LSYHDUIEUJNUQN-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195310313 1135412160 /nfs/dbraw/zinc/41/21/60/1135412160.db2.gz YIVNSTBMRDTURU-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CC(C)c1ccc2occ(C(=O)[N-]n3cnc4ccccc4c3=O)c2c1 ZINC000806271684 1135419526 /nfs/dbraw/zinc/41/95/26/1135419526.db2.gz JKLZESKZTNFVRX-UHFFFAOYSA-N -1 1 347.374 3.650 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(OC(F)(F)F)cc1C1CC1 ZINC001195494364 1135433589 /nfs/dbraw/zinc/43/35/89/1135433589.db2.gz LGHBZNDVDKOBIX-UHFFFAOYSA-N -1 1 348.346 3.906 20 0 EHADMM Cc1cccc2ccc([N-]S(=O)(=O)Cc3c(F)cccc3F)nc12 ZINC001197564304 1135706558 /nfs/dbraw/zinc/70/65/58/1135706558.db2.gz GHIPMUZYGITBRR-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc2ccc(F)cc2o1 ZINC001197585246 1135710613 /nfs/dbraw/zinc/71/06/13/1135710613.db2.gz DFHWWKSAASKSQV-UHFFFAOYSA-N -1 1 329.209 3.534 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=S)Nc2ccc(C)cc2C)c1 ZINC001197987339 1135763811 /nfs/dbraw/zinc/76/38/11/1135763811.db2.gz VEPDNWBNLRTAPX-UHFFFAOYSA-N -1 1 330.409 3.605 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccnc(C(F)(F)F)c3)n2)cc1F ZINC000809470682 1135839199 /nfs/dbraw/zinc/83/91/99/1135839199.db2.gz KNWXFJRFLGTUGW-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC001198650882 1135842430 /nfs/dbraw/zinc/84/24/30/1135842430.db2.gz GHVPSGZWKFSDDR-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1c(F)ccc([O-])c1F ZINC000809718556 1135877516 /nfs/dbraw/zinc/87/75/16/1135877516.db2.gz VRYCWYGXWQOLOX-CYBMUJFWSA-N -1 1 345.345 3.847 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000775992417 1135914891 /nfs/dbraw/zinc/91/48/91/1135914891.db2.gz QVSMBXUIYUUPTJ-IBGZPJMESA-N -1 1 343.810 3.707 20 0 EHADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000776091709 1135952526 /nfs/dbraw/zinc/95/25/26/1135952526.db2.gz DDNXTJLCMBKKJL-UHFFFAOYSA-N -1 1 338.432 3.633 20 0 EHADMM COc1c(Cl)cccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000747607721 1135975582 /nfs/dbraw/zinc/97/55/82/1135975582.db2.gz BYSFVUADNYFXIH-MDZDMXLPSA-N -1 1 341.791 3.900 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810576569 1135977455 /nfs/dbraw/zinc/97/74/55/1135977455.db2.gz FYHPSTRQEKWYSR-UHFFFAOYSA-N -1 1 334.656 3.851 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1c(F)cccc1F ZINC001202034116 1136089685 /nfs/dbraw/zinc/08/96/85/1136089685.db2.gz QQTMVFZCIRDPIK-UHFFFAOYSA-N -1 1 330.294 3.500 20 0 EHADMM CC[C@@]1(CNC(=O)c2c([O-])cccc2Cl)OCCc2ccccc21 ZINC000811589440 1136108243 /nfs/dbraw/zinc/10/82/43/1136108243.db2.gz MDLHWISWOQNEIJ-IBGZPJMESA-N -1 1 345.826 3.654 20 0 EHADMM COc1cc(F)c(F)cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000811712368 1136123835 /nfs/dbraw/zinc/12/38/35/1136123835.db2.gz RKBNMDWPRWPMCU-VOTSOKGWSA-N -1 1 343.326 3.525 20 0 EHADMM COc1cccc(-c2noc([N-]Cc3nc4cc(C)ccc4n3C)n2)c1 ZINC000811831005 1136142441 /nfs/dbraw/zinc/14/24/41/1136142441.db2.gz PFVZXXJOLKOWKQ-UHFFFAOYSA-N -1 1 349.394 3.552 20 0 EHADMM CCCCC[C@H](CC)C(=O)Nc1nc(C(=O)OCC)c(Cl)[n-]1 ZINC001134103635 1136407984 /nfs/dbraw/zinc/40/79/84/1136407984.db2.gz VPYJKJJNVKPXCM-JTQLQIEISA-N -1 1 329.828 3.785 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)C3CCCCCC3)[nH]c21 ZINC001134753709 1136527743 /nfs/dbraw/zinc/52/77/43/1136527743.db2.gz UCOQJCFSILEUDF-UHFFFAOYSA-N -1 1 329.400 3.649 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCN1Cc1ccccc1 ZINC000885674200 1136598870 /nfs/dbraw/zinc/59/88/70/1136598870.db2.gz KFAAXJSNHZHBOV-INIZCTEOSA-N -1 1 348.805 3.788 20 0 EHADMM CCN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000854562318 1136627623 /nfs/dbraw/zinc/62/76/23/1136627623.db2.gz HPYLKBZKZXPTQX-SJCJKPOMSA-N -1 1 333.815 3.630 20 0 EHADMM CCN(C(=O)c1cc(Cl)ccc1[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000854562321 1136627805 /nfs/dbraw/zinc/62/78/05/1136627805.db2.gz HPYLKBZKZXPTQX-SJKOYZFVSA-N -1 1 333.815 3.630 20 0 EHADMM CCCCCCOc1ccc(CC(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000854635320 1136632976 /nfs/dbraw/zinc/63/29/76/1136632976.db2.gz QXGFODHNSVRMBI-UHFFFAOYSA-N -1 1 331.416 3.564 20 0 EHADMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1c(F)cccc1F ZINC000112595279 1136639996 /nfs/dbraw/zinc/63/99/96/1136639996.db2.gz JVXHGLVLIMDNEJ-UHFFFAOYSA-N -1 1 335.310 3.875 20 0 EHADMM O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(F)c([O-])c1 ZINC001135316539 1136661658 /nfs/dbraw/zinc/66/16/58/1136661658.db2.gz RMFAJRIABBSBCT-UHFFFAOYSA-N -1 1 328.170 3.811 20 0 EHADMM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1c(F)ccc([O-])c1F ZINC000855546358 1136703883 /nfs/dbraw/zinc/70/38/83/1136703883.db2.gz LVUPYBGYJPXMMS-CQSZACIVSA-N -1 1 333.334 3.683 20 0 EHADMM O=S(=O)([N-][C@@H]1CC[C@H](c2ccccc2F)C1)c1sccc1F ZINC000338976269 1136709246 /nfs/dbraw/zinc/70/92/46/1136709246.db2.gz MZAPIQBLLQAEFA-WDEREUQCSA-N -1 1 343.420 3.641 20 0 EHADMM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cncc([O-])c1 ZINC000338978702 1136719592 /nfs/dbraw/zinc/71/95/92/1136719592.db2.gz TZZXKYIBDLKIGU-HNNXBMFYSA-N -1 1 336.313 3.687 20 0 EHADMM O=C(OCc1ccccc1)[C@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000816483788 1136723559 /nfs/dbraw/zinc/72/35/59/1136723559.db2.gz FIAGYAVOPNZJDT-MRXNPFEDSA-N -1 1 345.826 3.753 20 0 EHADMM CN(Cc1ccn(-c2ccccc2)n1)Cc1cccc([O-])c1Cl ZINC000816493766 1136724535 /nfs/dbraw/zinc/72/45/35/1136724535.db2.gz MUBOIGCJRKCVRZ-UHFFFAOYSA-N -1 1 327.815 3.863 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C(c1ccc(Cl)cc1)C(F)(F)F ZINC000816741302 1136751186 /nfs/dbraw/zinc/75/11/86/1136751186.db2.gz GMJBQJPMLZVMHY-POHAHGRESA-N -1 1 345.708 3.662 20 0 EHADMM Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)nc1 ZINC000858063890 1136937153 /nfs/dbraw/zinc/93/71/53/1136937153.db2.gz UCQWTOZTUWDQSP-INIZCTEOSA-N -1 1 348.402 3.542 20 0 EHADMM COc1ccc(CCC2CCN(c3cc(Cl)[n-]c(=O)n3)CC2)cc1 ZINC000858332056 1136959345 /nfs/dbraw/zinc/95/93/45/1136959345.db2.gz FUSZVZFLVPHFQZ-UHFFFAOYSA-N -1 1 347.846 3.693 20 0 EHADMM O=c1nc(N2CCC(Cc3cc(F)ccc3F)CC2)cc(Cl)[n-]1 ZINC000858564992 1136979037 /nfs/dbraw/zinc/97/90/37/1136979037.db2.gz ZAYPQVHNDYNAPU-UHFFFAOYSA-N -1 1 339.773 3.573 20 0 EHADMM O=C(Nc1cccc(Cl)c1-n1cccn1)c1cc(F)ccc1[O-] ZINC001136316881 1136984791 /nfs/dbraw/zinc/98/47/91/1136984791.db2.gz UCAVZCJBBFDTHS-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CC[C@H](c2ccccc2)C1 ZINC001136432378 1137023292 /nfs/dbraw/zinc/02/32/92/1137023292.db2.gz OZJXCZUEVCNHBN-AWEZNQCLSA-N -1 1 336.366 3.709 20 0 EHADMM CC(C)(C)C1CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C1 ZINC000822318721 1137055161 /nfs/dbraw/zinc/05/51/61/1137055161.db2.gz UACHMBKLIZWKIE-UHFFFAOYSA-N -1 1 327.380 3.583 20 0 EHADMM COc1cccc(C[C@@H](C)CC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC000822543712 1137064392 /nfs/dbraw/zinc/06/43/92/1137064392.db2.gz ZSZDZUFRBMJJRL-LLVKDONJSA-N -1 1 335.350 3.886 20 0 EHADMM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(F)c1[O-] ZINC000863009851 1137167235 /nfs/dbraw/zinc/16/72/35/1137167235.db2.gz LPMSATFOHNEGOE-QGZVFWFLSA-N -1 1 340.395 3.553 20 0 EHADMM C/C(=C\CN1CCC[C@H]1c1ccc(Br)cc1C)C(=O)[O-] ZINC000863476141 1137188354 /nfs/dbraw/zinc/18/83/54/1137188354.db2.gz VLYPDSFGSMCTDG-USYSOWRXSA-N -1 1 338.245 3.925 20 0 EHADMM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)cc1F)c1cccs1 ZINC000864509134 1137230724 /nfs/dbraw/zinc/23/07/24/1137230724.db2.gz GWRPZFXCKZJCBS-GFCCVEGCSA-N -1 1 345.342 3.794 20 0 EHADMM CC(C)Oc1ccccc1CNCc1cccc(CCC(=O)[O-])c1 ZINC000864517709 1137231681 /nfs/dbraw/zinc/23/16/81/1137231681.db2.gz LJULVFAEIBITRJ-UHFFFAOYSA-N -1 1 327.424 3.781 20 0 EHADMM Cc1nc(SC[C@@H](O)c2ccc(Cl)cc2)[n-]c(=O)c1C1CC1 ZINC000865373159 1137278321 /nfs/dbraw/zinc/27/83/21/1137278321.db2.gz IDAMBMLSHOJPBH-CYBMUJFWSA-N -1 1 336.844 3.847 20 0 EHADMM CCN(C(=O)c1cccc([O-])c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001146447469 1137390537 /nfs/dbraw/zinc/39/05/37/1137390537.db2.gz IPWIEBBWPAHSHY-ZDUSSCGKSA-N -1 1 331.387 3.633 20 0 EHADMM CCc1cccc2c(CCNC(=O)c3ccc(F)c([O-])c3)c[nH]c21 ZINC001146668723 1137392979 /nfs/dbraw/zinc/39/29/79/1137392979.db2.gz CGGVKQIPKDUSFY-UHFFFAOYSA-N -1 1 326.371 3.548 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)c2ccccc2O1 ZINC001147007260 1137398772 /nfs/dbraw/zinc/39/87/72/1137398772.db2.gz POOJYIBMVZZYCI-SNVBAGLBSA-N -1 1 337.297 3.839 20 0 EHADMM COc1c(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c(C)nn1C ZINC001148251840 1137420677 /nfs/dbraw/zinc/42/06/77/1137420677.db2.gz CWWAWUCQYOQKCJ-UHFFFAOYSA-N -1 1 345.786 3.502 20 0 EHADMM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC001148301222 1137421542 /nfs/dbraw/zinc/42/15/42/1137421542.db2.gz SUMPUGAJEFZFHV-HNAYVOBHSA-N -1 1 327.424 3.726 20 0 EHADMM C[C@@]1(CCNC(=O)Cc2ccc([O-])c(Cl)c2)CC1(Cl)Cl ZINC000868734693 1137421609 /nfs/dbraw/zinc/42/16/09/1137421609.db2.gz ZQZUFFVZKBMYAX-CYBMUJFWSA-N -1 1 336.646 3.678 20 0 EHADMM C[C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000235703375 1137432462 /nfs/dbraw/zinc/43/24/62/1137432462.db2.gz GJYQSDQPCRQHRE-JQWIXIFHSA-N -1 1 326.234 3.853 20 0 EHADMM O=C(NCc1cnc(-c2ccccc2)s1)c1cccc([O-])c1F ZINC001148792817 1137435011 /nfs/dbraw/zinc/43/50/11/1137435011.db2.gz GKXVNSNZQHJGIA-UHFFFAOYSA-N -1 1 328.368 3.585 20 0 EHADMM O=C(Nc1cnccc1OC(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794758 1137435164 /nfs/dbraw/zinc/43/51/64/1137435164.db2.gz LXNMKALPLWGWQW-UHFFFAOYSA-N -1 1 348.227 3.660 20 0 EHADMM Cc1cc2c(cccc2NC(=O)c2ccc(C(F)(F)F)cc2[O-])nn1 ZINC001148800844 1137435244 /nfs/dbraw/zinc/43/52/44/1137435244.db2.gz JSBOGMBLTHVHPZ-UHFFFAOYSA-N -1 1 347.296 3.915 20 0 EHADMM Cn1ncc2cc(NC(=O)c3cccc(-c4ccccc4)c3[O-])cnc21 ZINC001148861035 1137436383 /nfs/dbraw/zinc/43/63/83/1137436383.db2.gz HXJNDYBAIJLGFD-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000123035343 1137484043 /nfs/dbraw/zinc/48/40/43/1137484043.db2.gz ZUBOMTMKPYBHFO-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM CCc1c(=O)n(-c2cc(Cl)nc(SC)n2)[n-]c1-c1ccccc1 ZINC000871956891 1137563708 /nfs/dbraw/zinc/56/37/08/1137563708.db2.gz HJKRUQYSHAKUDF-NSHDSACASA-N -1 1 346.843 3.629 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)co1 ZINC000874134765 1137610819 /nfs/dbraw/zinc/61/08/19/1137610819.db2.gz MYWCLJOFOAXSOI-UHFFFAOYSA-N -1 1 342.424 3.667 20 0 EHADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000874482069 1137615401 /nfs/dbraw/zinc/61/54/01/1137615401.db2.gz RDLIZQLQSZLPOJ-GFCCVEGCSA-N -1 1 341.251 3.826 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCSC(C)(C)C2)cc(Cl)c1[O-] ZINC000888814798 1137778337 /nfs/dbraw/zinc/77/83/37/1137778337.db2.gz IKYZFGQAVJBLON-LLVKDONJSA-N -1 1 343.876 3.848 20 0 EHADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000131575018 1137856686 /nfs/dbraw/zinc/85/66/86/1137856686.db2.gz NDRZIFRCVBFNOY-JTQLQIEISA-N -1 1 326.234 3.663 20 0 EHADMM CCc1noc(C)c1[N-]C(=O)c1nc(-c2ccccc2F)oc1C ZINC000132559106 1137867221 /nfs/dbraw/zinc/86/72/21/1137867221.db2.gz PVESZKPSGFULQL-UHFFFAOYSA-N -1 1 329.331 3.900 20 0 EHADMM O=C(NCC[C@H]1CCCC1(F)F)NCc1ccc([O-])c(Cl)c1 ZINC000883810982 1137871480 /nfs/dbraw/zinc/87/14/80/1137871480.db2.gz BROWOTHYTAMJDF-LLVKDONJSA-N -1 1 332.778 3.670 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1F)[N-]c1ccc(C(F)(F)F)cn1 ZINC000800042843 1137895553 /nfs/dbraw/zinc/89/55/53/1137895553.db2.gz URYNLWBYSUKHFL-FPLPWBNLSA-N -1 1 346.305 3.652 20 0 EHADMM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Cl)cc1[O-])CCC2 ZINC000110531537 1137901717 /nfs/dbraw/zinc/90/17/17/1137901717.db2.gz KTMQXUYORFJEAR-CYBMUJFWSA-N -1 1 336.844 3.960 20 0 EHADMM O=c1[n-]nc([C@H]2CCCN(CCc3cc(Cl)cc(Cl)c3)C2)o1 ZINC000332415479 1137943222 /nfs/dbraw/zinc/94/32/22/1137943222.db2.gz LVWKUTOFIHSLBH-NSHDSACASA-N -1 1 342.226 3.504 20 0 EHADMM Cn1cc([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000333075374 1137954682 /nfs/dbraw/zinc/95/46/82/1137954682.db2.gz PIKUBFNWTQRXKF-SFHVURJKSA-N -1 1 335.407 3.646 20 0 EHADMM CC(C)[C@@H](CC(=O)NCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000066637945 1138076376 /nfs/dbraw/zinc/07/63/76/1138076376.db2.gz UHPQVLGWYHWNDN-OAHLLOKOSA-N -1 1 344.484 3.722 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000081751802 1138171015 /nfs/dbraw/zinc/17/10/15/1138171015.db2.gz YNGPFJRVGSXDJP-NSHDSACASA-N -1 1 337.489 3.691 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1cc(F)c(F)cc1Cl ZINC000336891636 1138422393 /nfs/dbraw/zinc/42/23/93/1138422393.db2.gz NWYQYJYRUPIREY-UHFFFAOYSA-N -1 1 325.674 3.660 20 0 EHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000337774869 1138665158 /nfs/dbraw/zinc/66/51/58/1138665158.db2.gz WZOHTKQPISRKGC-LBPRGKRZSA-N -1 1 337.466 3.917 20 0 EHADMM CCOCCC1(CNC(=O)c2cc(Cl)ccc2[O-])CCCC1 ZINC001137250834 1139178205 /nfs/dbraw/zinc/17/82/05/1139178205.db2.gz IFGUVHPYXDWENV-UHFFFAOYSA-N -1 1 325.836 3.762 20 0 EHADMM CCCCn1nccc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186737944 1140219979 /nfs/dbraw/zinc/21/99/79/1140219979.db2.gz XDAYKSZRGFICKZ-UHFFFAOYSA-N -1 1 337.807 3.693 20 0 EHADMM CCOc1cc(C(=O)NCCCc2ccc(O)cc2)cc(Cl)c1[O-] ZINC000273935355 1141449183 /nfs/dbraw/zinc/44/91/83/1141449183.db2.gz JDWRAXVGFONTDD-UHFFFAOYSA-N -1 1 349.814 3.513 20 0 EHADMM Cc1ccc2snc(C(=O)[N-]c3nnc([C@@H]4CCCO4)s3)c2c1 ZINC000636359146 480916727 /nfs/dbraw/zinc/91/67/27/480916727.db2.gz WDQVOOOPDQPAOE-JTQLQIEISA-N -1 1 346.437 3.560 20 0 EHADMM Cc1cccc([C@@H](C)Nc2c3ccccc3nnc2-c2nnn[n-]2)c1C ZINC000737390064 598969792 /nfs/dbraw/zinc/96/97/92/598969792.db2.gz RNBGESKPPWVEPB-CYBMUJFWSA-N -1 1 345.410 3.600 20 0 EHADMM Cc1cccc([C@@H](C)Nc2c3ccccc3nnc2-c2nn[n-]n2)c1C ZINC000737390064 598969793 /nfs/dbraw/zinc/96/97/93/598969793.db2.gz RNBGESKPPWVEPB-CYBMUJFWSA-N -1 1 345.410 3.600 20 0 EHADMM Cc1ccc(CC[C@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000822236442 599065186 /nfs/dbraw/zinc/06/51/86/599065186.db2.gz ZLQDYLZUYJABHG-LBPRGKRZSA-N -1 1 348.410 3.750 20 0 EHADMM Cc1ccc(CC[C@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000822236442 599065189 /nfs/dbraw/zinc/06/51/89/599065189.db2.gz ZLQDYLZUYJABHG-LBPRGKRZSA-N -1 1 348.410 3.750 20 0 EHADMM C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CCC(=O)[O-] ZINC000818075747 596999624 /nfs/dbraw/zinc/99/96/24/596999624.db2.gz KPVHDPSIRIVVQZ-MRVPVSSYSA-N -1 1 344.198 3.511 20 0 EHADMM O=C([O-])c1ccc(CNCc2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000426703042 597135743 /nfs/dbraw/zinc/13/57/43/597135743.db2.gz DPUUDBQPFNJTHS-UHFFFAOYSA-N -1 1 341.798 3.514 20 0 EHADMM Cc1ccccc1[C@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737418477 599262309 /nfs/dbraw/zinc/26/23/09/599262309.db2.gz BDACBUKOWQRIHN-ZDUSSCGKSA-N -1 1 330.395 3.896 20 0 EHADMM Cc1ccccc1[C@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000737418477 599262311 /nfs/dbraw/zinc/26/23/11/599262311.db2.gz BDACBUKOWQRIHN-ZDUSSCGKSA-N -1 1 330.395 3.896 20 0 EHADMM Clc1nsc(N[C@H]2CCCCc3ccccc32)c1-c1nnn[n-]1 ZINC000737583387 598245112 /nfs/dbraw/zinc/24/51/12/598245112.db2.gz KBZFXZYNVYECMU-NSHDSACASA-N -1 1 346.847 3.856 20 0 EHADMM Clc1nsc(N[C@H]2CCCCc3ccccc32)c1-c1nn[n-]n1 ZINC000737583387 598245114 /nfs/dbraw/zinc/24/51/14/598245114.db2.gz KBZFXZYNVYECMU-NSHDSACASA-N -1 1 346.847 3.856 20 0 EHADMM Clc1ccc(NCc2ccc3ccccc3c2)nc1-c1nnn[n-]1 ZINC000737576251 598578141 /nfs/dbraw/zinc/57/81/41/598578141.db2.gz ZYALPXNWTCVAOU-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM Clc1ccc(NCc2ccc3ccccc3c2)nc1-c1nn[n-]n1 ZINC000737576251 598578142 /nfs/dbraw/zinc/57/81/42/598578142.db2.gz ZYALPXNWTCVAOU-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM CC(C)[C@@H]1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735748097 598756646 /nfs/dbraw/zinc/75/66/46/598756646.db2.gz HUGDQYUYGHTPGK-BDAKNGLRSA-N -1 1 326.857 3.603 20 0 EHADMM CC(C)[C@@H]1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735748097 598756647 /nfs/dbraw/zinc/75/66/47/598756647.db2.gz HUGDQYUYGHTPGK-BDAKNGLRSA-N -1 1 326.857 3.603 20 0 EHADMM C[C@H](C[N@@H+](Cn1c2ccc(Cl)cc2oc1=S)C1CC1)C(=O)[O-] ZINC000736580520 599932969 /nfs/dbraw/zinc/93/29/69/599932969.db2.gz CNZURGNSSXZDRQ-SECBINFHSA-N -1 1 340.832 3.760 20 0 EHADMM C[C@H](CN(Cn1c2ccc(Cl)cc2oc1=S)C1CC1)C(=O)[O-] ZINC000736580520 599932971 /nfs/dbraw/zinc/93/29/71/599932971.db2.gz CNZURGNSSXZDRQ-SECBINFHSA-N -1 1 340.832 3.760 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000738628459 600073201 /nfs/dbraw/zinc/07/32/01/600073201.db2.gz SKVIIGWIKHIFJY-UHFFFAOYSA-N -1 1 335.363 3.644 20 0 EHADMM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(=O)c3ccccc3[nH]2)c1 ZINC000325582077 600202189 /nfs/dbraw/zinc/20/21/89/600202189.db2.gz APHAVHITQSIOSU-UHFFFAOYSA-N -1 1 342.738 3.544 20 0 EHADMM CC[C@H](C)c1ccc(NC(=O)CNC2(C(=O)[O-])CCCCC2)cc1 ZINC000736890661 600318938 /nfs/dbraw/zinc/31/89/38/600318938.db2.gz GCOIWOINJAHELY-AWEZNQCLSA-N -1 1 332.444 3.516 20 0 EHADMM O=C([O-])[C@@H](NCc1csc(Br)c1)c1ccc(F)cc1 ZINC000426765598 600421956 /nfs/dbraw/zinc/42/19/56/600421956.db2.gz QAXLUFZHSNYJCC-LBPRGKRZSA-N -1 1 344.205 3.565 20 0 EHADMM CO[C@H](C)CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(C)C ZINC000737736232 600720496 /nfs/dbraw/zinc/72/04/96/600720496.db2.gz XOQNSVIQSRPQLF-CYBMUJFWSA-N -1 1 348.468 3.754 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000426795627 600731995 /nfs/dbraw/zinc/73/19/95/600731995.db2.gz YSJPFPUOCHUZGT-CQSZACIVSA-N -1 1 327.277 3.760 20 0 EHADMM CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000829421461 600739314 /nfs/dbraw/zinc/73/93/14/600739314.db2.gz CRVLVXMMHXTQQU-GOSISDBHSA-N -1 1 331.387 3.920 20 0 EHADMM CC(C)COc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426803922 600742581 /nfs/dbraw/zinc/74/25/81/600742581.db2.gz QNLDTCPSZLVNEJ-SFHVURJKSA-N -1 1 331.387 3.776 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1C(F)(F)F)c1ccccc1F ZINC000833170530 600744929 /nfs/dbraw/zinc/74/49/29/600744929.db2.gz XBZPZZPPLCMMAD-CQSZACIVSA-N -1 1 327.277 3.760 20 0 EHADMM Cc1ccc(C)c([C@H]2CN(Cc3cccc(C(=O)[O-])c3)[C@H](C)CO2)c1 ZINC000263475941 600834781 /nfs/dbraw/zinc/83/47/81/600834781.db2.gz MPHHRWRMQOUISC-OXQOHEQNSA-N -1 1 339.435 3.964 20 0 EHADMM O=C([O-])[C@H](Sc1nnc(C2CC2)[nH]1)c1ccc(Cl)cc1Cl ZINC000833168889 600836544 /nfs/dbraw/zinc/83/65/44/600836544.db2.gz GATZAXCEEJDZMR-SNVBAGLBSA-N -1 1 344.223 3.907 20 0 EHADMM CC[C@@H](c1ccncc1)N(CC)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000829033762 601401268 /nfs/dbraw/zinc/40/12/68/601401268.db2.gz WHPZGMSYADXGJV-INIZCTEOSA-N -1 1 338.411 3.560 20 0 EHADMM CC[C@](C)(CC(=O)[O-])NCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000828672145 602220977 /nfs/dbraw/zinc/22/09/77/602220977.db2.gz NQFPAVIEJMAZCG-GOSISDBHSA-N -1 1 331.416 3.593 20 0 EHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000739066075 603066592 /nfs/dbraw/zinc/06/65/92/603066592.db2.gz WPJMPXAZWKKUFD-HUUCEWRRSA-N -1 1 343.427 3.724 20 0 EHADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000825272595 604188097 /nfs/dbraw/zinc/18/80/97/604188097.db2.gz MMTFPXFXWJITOF-DZGCQCFKSA-N -1 1 345.468 3.678 20 0 EHADMM Cc1cc([C@H](C)N2CCC(C(=O)c3ccccc3)CC2)oc1C(=O)[O-] ZINC000575322688 604381839 /nfs/dbraw/zinc/38/18/39/604381839.db2.gz RBXHFEVCRUWJOJ-AWEZNQCLSA-N -1 1 341.407 3.942 20 0 EHADMM CC1(C)CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCCO1 ZINC000833559967 605129700 /nfs/dbraw/zinc/12/97/00/605129700.db2.gz JHQYLYFVXVCEJU-ZDUSSCGKSA-N -1 1 332.227 3.620 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC000833732669 605830687 /nfs/dbraw/zinc/83/06/87/605830687.db2.gz OBHIYDUNQOHGNM-GOSISDBHSA-N -1 1 329.371 3.870 20 0 EHADMM CCOc1cc(Cl)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821395219 607052876 /nfs/dbraw/zinc/05/28/76/607052876.db2.gz SHUPITHMBZZARL-UHFFFAOYSA-N -1 1 335.820 3.592 20 0 EHADMM Fc1cccc(OCc2csc(C3CCCC3)n2)c1-c1nnn[n-]1 ZINC000826377785 607866380 /nfs/dbraw/zinc/86/63/80/607866380.db2.gz FXMIKBANBDVFQC-UHFFFAOYSA-N -1 1 345.403 3.699 20 0 EHADMM Fc1cccc(OCc2csc(C3CCCC3)n2)c1-c1nn[n-]n1 ZINC000826377785 607866381 /nfs/dbraw/zinc/86/63/81/607866381.db2.gz FXMIKBANBDVFQC-UHFFFAOYSA-N -1 1 345.403 3.699 20 0 EHADMM Cc1ccc([C@H]2[C@@H](C)CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826285007 607901660 /nfs/dbraw/zinc/90/16/60/607901660.db2.gz NKHJWIKGQLTCIB-KBXCAEBGSA-N -1 1 334.427 3.548 20 0 EHADMM Cc1ccc([C@H]2[C@@H](C)CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826285007 607901661 /nfs/dbraw/zinc/90/16/61/607901661.db2.gz NKHJWIKGQLTCIB-KBXCAEBGSA-N -1 1 334.427 3.548 20 0 EHADMM Clc1nsc(Sc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826352793 608169011 /nfs/dbraw/zinc/16/90/11/608169011.db2.gz NZPZWLCNPNUTSD-UHFFFAOYSA-N -1 1 330.225 3.781 20 0 EHADMM Clc1nsc(Sc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826352793 608169013 /nfs/dbraw/zinc/16/90/13/608169013.db2.gz NZPZWLCNPNUTSD-UHFFFAOYSA-N -1 1 330.225 3.781 20 0 EHADMM Clc1nsc(SCc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826353082 608179612 /nfs/dbraw/zinc/17/96/12/608179612.db2.gz AJMINLZIRLVWRN-UHFFFAOYSA-N -1 1 344.252 3.922 20 0 EHADMM Clc1nsc(SCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826353082 608179613 /nfs/dbraw/zinc/17/96/13/608179613.db2.gz AJMINLZIRLVWRN-UHFFFAOYSA-N -1 1 344.252 3.922 20 0 EHADMM CC(C)C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC000824237389 608425460 /nfs/dbraw/zinc/42/54/60/608425460.db2.gz RQGYPVZJOPYGTA-AWEZNQCLSA-N -1 1 343.822 3.509 20 0 EHADMM CC(C)C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC000824237389 608425461 /nfs/dbraw/zinc/42/54/61/608425461.db2.gz RQGYPVZJOPYGTA-AWEZNQCLSA-N -1 1 343.822 3.509 20 0 EHADMM CCC(C)(C)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(Cl)c1 ZINC000825043413 608433956 /nfs/dbraw/zinc/43/39/56/608433956.db2.gz HKOIMUADQJCIGN-UHFFFAOYSA-N -1 1 344.806 3.790 20 0 EHADMM CCC(C)(C)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(Cl)c1 ZINC000825043413 608433957 /nfs/dbraw/zinc/43/39/57/608433957.db2.gz HKOIMUADQJCIGN-UHFFFAOYSA-N -1 1 344.806 3.790 20 0 EHADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825052423 609600972 /nfs/dbraw/zinc/60/09/72/609600972.db2.gz WFHPAYUYRHBPOJ-ZJUUUORDSA-N -1 1 335.477 3.846 20 0 EHADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825052423 609600973 /nfs/dbraw/zinc/60/09/73/609600973.db2.gz WFHPAYUYRHBPOJ-ZJUUUORDSA-N -1 1 335.477 3.846 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000049842241 948913386 /nfs/dbraw/zinc/91/33/86/948913386.db2.gz PWTPYPCTQZZMSZ-GFCCVEGCSA-N -1 1 326.234 3.526 20 0 EHADMM O=C([O-])c1cccc(CNCc2cc(Br)ccc2F)c1 ZINC000236485951 949921865 /nfs/dbraw/zinc/92/18/65/949921865.db2.gz DZMCKDJOGVEFBT-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM COc1ccc(Cl)cc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000321316992 951014308 /nfs/dbraw/zinc/01/43/08/951014308.db2.gz NJHWHRILWLYPKF-QGZVFWFLSA-N -1 1 331.799 3.533 20 0 EHADMM O=C([O-])c1ccc(F)c(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000383719433 971889221 /nfs/dbraw/zinc/88/92/21/971889221.db2.gz UJKGWPOWOKDBOI-UHFFFAOYSA-N -1 1 343.398 3.705 20 0 EHADMM Cc1ccsc1CNCc1ccc(C(=O)[O-])cc1Br ZINC000235808546 960500287 /nfs/dbraw/zinc/50/02/87/960500287.db2.gz GQHGCJFVOASBBH-UHFFFAOYSA-N -1 1 340.242 3.807 20 0 EHADMM O=C([O-])c1ccc(F)c(CN2CCC3(CC2)OCc2ccccc23)c1 ZINC001231458479 960609462 /nfs/dbraw/zinc/60/94/62/960609462.db2.gz YDAHROSKFFWGCA-UHFFFAOYSA-N -1 1 341.382 3.545 20 0 EHADMM O=C([O-])[C@H](c1ccsc1)N1CCC(C(=O)c2cccs2)CC1 ZINC001328744521 961223641 /nfs/dbraw/zinc/22/36/41/961223641.db2.gz NJXYAUZGUIDCKI-AWEZNQCLSA-N -1 1 335.450 3.530 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](NCc2cnc(-c3ccccc3)nc2)c2ccccc21 ZINC001574648637 962405629 /nfs/dbraw/zinc/40/56/29/962405629.db2.gz DJRZWBKLSBXGFD-MOPGFXCFSA-N -1 1 345.402 3.546 20 0 EHADMM CC(C)(C)CN(CC(=O)[O-])Cc1cnn(Cc2ccccc2)c1Cl ZINC000854243934 969307122 /nfs/dbraw/zinc/30/71/22/969307122.db2.gz ILPNKPLXSCUHJR-UHFFFAOYSA-N -1 1 349.862 3.518 20 0 EHADMM C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603290025 972542574 /nfs/dbraw/zinc/54/25/74/972542574.db2.gz ARILVJBWHPRSPK-NEPJUHHUSA-N -1 1 349.431 3.592 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](N[C@@H]2CCc3ccc(Cl)nc32)c2ccccc21 ZINC001605983076 973017850 /nfs/dbraw/zinc/01/78/50/973017850.db2.gz GAGABOQLIUBGJM-KFWWJZLASA-N -1 1 328.799 3.625 20 0 EHADMM O=C([O-])[C@H](NCc1cc(C(F)(F)F)ccc1F)c1cccs1 ZINC000426779910 974048101 /nfs/dbraw/zinc/04/81/01/974048101.db2.gz MMNLDSFZDSRJIK-GFCCVEGCSA-N -1 1 333.306 3.822 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(Br)cc1F)c1ccsc1 ZINC000426835320 974050470 /nfs/dbraw/zinc/05/04/70/974050470.db2.gz QSUZJWWIOFTMHK-LBPRGKRZSA-N -1 1 344.205 3.565 20 0 EHADMM O=C([O-])c1cnc(CN2CCCCC[C@@H]2/C=C\c2ccccc2)cn1 ZINC000530162448 974358228 /nfs/dbraw/zinc/35/82/28/974358228.db2.gz GVXARLDLJRLAPW-RXQFDZFGSA-N -1 1 337.423 3.633 20 0 EHADMM COCCC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000530164526 974359197 /nfs/dbraw/zinc/35/91/97/974359197.db2.gz QRVKKIGSZPJKTB-OAHLLOKOSA-N -1 1 346.254 3.868 20 0 EHADMM CN(Cc1occc1C(=O)[O-])Cc1ccc(OC(F)(F)F)cc1 ZINC000569611853 974695507 /nfs/dbraw/zinc/69/55/07/974695507.db2.gz LAQWTFAYJIPJDF-UHFFFAOYSA-N -1 1 329.274 3.508 20 0 EHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)cc1C ZINC000572434022 974748175 /nfs/dbraw/zinc/74/81/75/974748175.db2.gz GDUNEDRISRMHNB-MRXNPFEDSA-N -1 1 348.240 3.981 20 0 EHADMM O=C([O-])c1cc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cs1 ZINC000580085638 974888637 /nfs/dbraw/zinc/88/86/37/974888637.db2.gz WQXHCNOUOLBBFN-AWEZNQCLSA-N -1 1 347.411 3.680 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2cccnc2C(F)(F)F)[C@@H]2CCCC[C@H]12 ZINC000629363350 975084103 /nfs/dbraw/zinc/08/41/03/975084103.db2.gz GYDAQVDGMUGZSS-MGPQQGTHSA-N -1 1 342.361 3.566 20 0 EHADMM Cc1cc(-c2noc([C@@H]3NCC[C@@H]4CCCC[C@@H]34)n2)ccc1C(=O)[O-] ZINC000904512034 1032086228 /nfs/dbraw/zinc/08/62/28/1032086228.db2.gz XFDDZZHWDIQDAY-APHBMKBZSA-N -1 1 341.411 3.584 20 0 EHADMM CO[C@@H](CN(CCC(=O)[O-])Cc1cccc(F)c1F)c1ccccc1 ZINC000652483680 975552493 /nfs/dbraw/zinc/55/24/93/975552493.db2.gz XCLMMMCQBWXMOC-KRWDZBQOSA-N -1 1 349.377 3.629 20 0 EHADMM CCc1csc(CC2CCN(Cc3cc(C(=O)[O-])c(C)o3)CC2)n1 ZINC000656191469 975645216 /nfs/dbraw/zinc/64/52/16/975645216.db2.gz WRMNKDBSXXAOPP-UHFFFAOYSA-N -1 1 348.468 3.760 20 0 EHADMM O=C([O-])CC[C@H](NCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000669476291 976006270 /nfs/dbraw/zinc/00/62/70/976006270.db2.gz VEUGQBRUWIFNHN-AWEZNQCLSA-N -1 1 330.453 3.718 20 0 EHADMM C[C@@H](CN(Cc1cccc(Cl)c1Br)C1CC1)C(=O)[O-] ZINC001592598828 978532802 /nfs/dbraw/zinc/53/28/02/978532802.db2.gz KQCPBEVJNQNTKV-VIFPVBQESA-N -1 1 346.652 3.788 20 0 EHADMM C[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)Oc1ccc(Cl)cc1 ZINC001592705392 979169044 /nfs/dbraw/zinc/16/90/44/979169044.db2.gz DQRBLJBKCBRWFX-ZJUUUORDSA-N -1 1 340.832 3.613 20 0 EHADMM CC[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(OC)c(OC)c1 ZINC001595301130 980436916 /nfs/dbraw/zinc/43/69/16/980436916.db2.gz WOFBOSJPPRSELS-DZZUKKPASA-N -1 1 345.395 3.636 20 0 EHADMM Cc1ccc(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)nc1 ZINC000901745685 980476457 /nfs/dbraw/zinc/47/64/57/980476457.db2.gz CSLJCONMRJKGFI-INIZCTEOSA-N -1 1 339.222 3.786 20 0 EHADMM CC(C)OCc1ccccc1CNCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902121698 980744606 /nfs/dbraw/zinc/74/46/06/980744606.db2.gz LMSZWVHVLYPOKY-KTKRTIGZSA-N -1 1 329.396 3.592 20 0 EHADMM COCCSc1ccc([C@H](C)NCc2cc(C(=O)[O-])oc2C)cc1 ZINC000902231749 980793004 /nfs/dbraw/zinc/79/30/04/980793004.db2.gz REAUFONUZZDDIK-LBPRGKRZSA-N -1 1 349.452 3.876 20 0 EHADMM CN(Cc1cc(C(=O)[O-])ccc1Br)C[C@H]1CC1(C)C ZINC000903909134 981033298 /nfs/dbraw/zinc/03/32/98/981033298.db2.gz GEYYEPGCNHPLAV-GFCCVEGCSA-N -1 1 326.234 3.625 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])s1)c1cc(Cl)cc2c1OCC2 ZINC000904261947 981083805 /nfs/dbraw/zinc/08/38/05/981083805.db2.gz SWICLCYQACTIIB-VIFPVBQESA-N -1 1 337.828 3.885 20 0 EHADMM CC[C@@](C)(NCCOc1ccc(/C=C\C(=O)[O-])cc1)c1nccs1 ZINC001594852194 982092287 /nfs/dbraw/zinc/09/22/87/982092287.db2.gz FXIHOOMFBBOHNY-OTIVFRFGSA-N -1 1 346.452 3.535 20 0 EHADMM CCCCC[C@H]1CCCCN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595691110 982205397 /nfs/dbraw/zinc/20/53/97/982205397.db2.gz ZTXKAFGLHXKWQT-HNNXBMFYSA-N -1 1 334.460 3.947 20 0 EHADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)co1 ZINC000029433303 1014841078 /nfs/dbraw/zinc/84/10/78/1014841078.db2.gz JGWNJJDIJDVTFW-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc2ccccc2c1 ZINC000026543456 1014843444 /nfs/dbraw/zinc/84/34/44/1014843444.db2.gz LNSAVMUXURGTEJ-UHFFFAOYSA-N -1 1 325.389 3.576 20 0 EHADMM C[C@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc2c(c1)CCCC2 ZINC001599901626 984841127 /nfs/dbraw/zinc/84/11/27/984841127.db2.gz MSYKCSFRWNJNHJ-ZDUSSCGKSA-N -1 1 349.434 3.991 20 0 EHADMM CCSc1ccccc1CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001597278969 987338011 /nfs/dbraw/zinc/33/80/11/987338011.db2.gz BJMPDCVDYSKVHW-SFHVURJKSA-N -1 1 330.453 3.673 20 0 EHADMM CCc1[nH]c(CN2C[C@@H](C)C[C@H]2c2ccccc2F)cc1C(=O)[O-] ZINC001597384259 987586616 /nfs/dbraw/zinc/58/66/16/987586616.db2.gz ISXBXHXUZYKUDZ-SGTLLEGYSA-N -1 1 330.403 3.998 20 0 EHADMM CCc1[nH]c(CN[C@H](c2ncccc2C)C(C)(C)C)cc1C(=O)[O-] ZINC001597392455 987625758 /nfs/dbraw/zinc/62/57/58/987625758.db2.gz UACKZMSRWHRUBG-QGZVFWFLSA-N -1 1 329.444 3.856 20 0 EHADMM CC(C)(C)[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC001589723308 987899782 /nfs/dbraw/zinc/89/97/82/987899782.db2.gz VPBBYOYXCAHVBD-SNVBAGLBSA-N -1 1 325.821 3.717 20 0 EHADMM C[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC001599841965 988855123 /nfs/dbraw/zinc/85/51/23/988855123.db2.gz ULMHAGNTCHNVTB-SNVBAGLBSA-N -1 1 329.787 3.765 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(CCOC)Cc1ccc(C)c(C)c1 ZINC001597761809 989191207 /nfs/dbraw/zinc/19/12/07/989191207.db2.gz VTHBOOGSGUNAEB-UHFFFAOYSA-N -1 1 345.439 3.806 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001597763218 989202850 /nfs/dbraw/zinc/20/28/50/989202850.db2.gz SLCXOPSRCFFKQE-GXTWGEPZSA-N -1 1 332.227 3.556 20 0 EHADMM CC(C)(NCCc1c(Cl)cccc1Cl)c1cc(C(=O)[O-])on1 ZINC001590870448 990772277 /nfs/dbraw/zinc/77/22/77/990772277.db2.gz NAFQRHHHAVWLBV-UHFFFAOYSA-N -1 1 343.210 3.747 20 0 EHADMM COc1ccccc1[C@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599704061 991265743 /nfs/dbraw/zinc/26/57/43/991265743.db2.gz MJEHQMVGDHLJFW-MRXNPFEDSA-N -1 1 328.412 3.757 20 0 EHADMM CN(CCCC(=O)OC(C)(C)C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598474681 992066648 /nfs/dbraw/zinc/06/66/48/992066648.db2.gz CTVLCNXRAGLJIG-UHFFFAOYSA-N -1 1 341.835 3.592 20 0 EHADMM CCc1cccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cn2)c1 ZINC000339844690 1015738413 /nfs/dbraw/zinc/73/84/13/1015738413.db2.gz WBASRUBXTRJRLM-UHFFFAOYSA-N -1 1 335.363 3.789 20 0 EHADMM C[C@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccns1 ZINC001593190806 994127890 /nfs/dbraw/zinc/12/78/90/994127890.db2.gz WOYJBUFBNVDNSJ-UFBFGSQYSA-N -1 1 330.331 3.638 20 0 EHADMM COc1ccc2c(c1)[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)CCC2 ZINC001599625103 994137543 /nfs/dbraw/zinc/13/75/43/994137543.db2.gz OYLVOCGNDNGWLP-MRXNPFEDSA-N -1 1 346.814 3.609 20 0 EHADMM COc1cccc([C@H](C)N[C@@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001599657539 994606141 /nfs/dbraw/zinc/60/61/41/994606141.db2.gz NJKSKDIWOIUODB-KBPBESRZSA-N -1 1 329.396 3.570 20 0 EHADMM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cncc([O-])c1 ZINC000339916287 1015911588 /nfs/dbraw/zinc/91/15/88/1015911588.db2.gz RZHJQNCVPWIBMY-VIFPVBQESA-N -1 1 337.206 3.854 20 0 EHADMM C[C@H](Oc1ccccc1CN[C@@H]1CCc2ccc(Cl)cc21)C(=O)[O-] ZINC001593645414 995974779 /nfs/dbraw/zinc/97/47/79/995974779.db2.gz JWCYFKLQCWTFHD-YVEFUNNKSA-N -1 1 345.826 3.969 20 0 EHADMM C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC001593734415 996324543 /nfs/dbraw/zinc/32/45/43/996324543.db2.gz UYFSIUVFOFHNJH-SNVBAGLBSA-N -1 1 344.802 3.503 20 0 EHADMM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cncc([O-])c2)cc1 ZINC000339952613 1016048983 /nfs/dbraw/zinc/04/89/83/1016048983.db2.gz VIMDQRPWPRYOJB-UHFFFAOYSA-N -1 1 336.395 3.657 20 0 EHADMM CC1(C)C[C@@H](N(Cc2occc2C(=O)[O-])Cc2ccccc2)CO1 ZINC001593853275 996630711 /nfs/dbraw/zinc/63/07/11/996630711.db2.gz CRAWWBPGWMRGPG-OAHLLOKOSA-N -1 1 329.396 3.548 20 0 EHADMM COC[C@H](NCc1cc(C(=O)[O-])sc1C)c1cccc(Cl)c1 ZINC001599176948 996864917 /nfs/dbraw/zinc/86/49/17/996864917.db2.gz JKJCQYMTMVSSOM-AWEZNQCLSA-N -1 1 339.844 3.885 20 0 EHADMM COC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccsc1C(=O)[O-] ZINC001599185996 997027149 /nfs/dbraw/zinc/02/71/49/997027149.db2.gz GMERAUFZMHUXMU-CQSZACIVSA-N -1 1 339.844 3.919 20 0 EHADMM COc1cc(C)c([C@H](C)N[C@@H](C)c2ccc(C(=O)[O-])o2)cc1OC ZINC001599390775 997031931 /nfs/dbraw/zinc/03/19/31/997031931.db2.gz OEPNIQHZWXDTCW-RYUDHWBXSA-N -1 1 333.384 3.715 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN[C@H](C)c1ccccc1SC ZINC001599500797 997115493 /nfs/dbraw/zinc/11/54/93/997115493.db2.gz LQOGQYFDFJDVCJ-GFCCVEGCSA-N -1 1 331.437 3.966 20 0 EHADMM C[C@H](NC(=O)c1cncc([O-])c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000340002218 1016113068 /nfs/dbraw/zinc/11/30/68/1016113068.db2.gz DUOCKCQYAQFRLX-MNOVXSKESA-N -1 1 338.329 3.728 20 0 EHADMM COCCCC[C@@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001599224084 997724554 /nfs/dbraw/zinc/72/45/54/997724554.db2.gz OLNSCMWGXWEMOL-GOSISDBHSA-N -1 1 331.412 3.934 20 0 EHADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000655553450 1016175544 /nfs/dbraw/zinc/17/55/44/1016175544.db2.gz MIBAADAWSUVUDH-UHFFFAOYSA-N -1 1 329.421 3.740 20 0 EHADMM COc1ccc(Cl)c(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC001599577141 998463231 /nfs/dbraw/zinc/46/32/31/998463231.db2.gz SZZFTLKFMYVGCD-SJKOYZFVSA-N -1 1 333.815 3.900 20 0 EHADMM COc1ccc(Cl)c(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC001599577139 998463446 /nfs/dbraw/zinc/46/34/46/998463446.db2.gz SZZFTLKFMYVGCD-PXAZEXFGSA-N -1 1 333.815 3.900 20 0 EHADMM CCOc1cc(C(=O)N2CCc3cccc(C)c3C2)cc(Cl)c1[O-] ZINC000430354143 1016443842 /nfs/dbraw/zinc/44/38/42/1016443842.db2.gz PBTYMRTXTIGRPY-UHFFFAOYSA-N -1 1 345.826 3.951 20 0 EHADMM CCOc1ccc(CN(C)C(=O)c2c([O-])cccc2Cl)cc1OC ZINC000143118193 1016906427 /nfs/dbraw/zinc/90/64/27/1016906427.db2.gz IFQGRSVUYXFGBB-UHFFFAOYSA-N -1 1 349.814 3.725 20 0 EHADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)c1 ZINC000181093797 1016913443 /nfs/dbraw/zinc/91/34/43/1016913443.db2.gz RHHKYNTURJASRI-KRWDZBQOSA-N -1 1 345.370 3.526 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1Br ZINC000340330210 1016952316 /nfs/dbraw/zinc/95/23/16/1016952316.db2.gz IZNQJAKIBQKSKX-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000340329383 1016953318 /nfs/dbraw/zinc/95/33/18/1016953318.db2.gz BRLNZALGBUYAOG-UHFFFAOYSA-N -1 1 339.326 3.711 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000181904458 1017025450 /nfs/dbraw/zinc/02/54/50/1017025450.db2.gz AXDQUMVANGDOHK-IBGZPJMESA-N -1 1 336.366 3.578 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1Cl ZINC000538365732 1032323819 /nfs/dbraw/zinc/32/38/19/1032323819.db2.gz ZYVSNCJTSVANPE-UHFFFAOYSA-N -1 1 339.848 3.830 20 0 EHADMM O=c1nc(CN2CCC(c3ccc(F)cc3)CC2)[n-]c2ccsc21 ZINC000083423537 1032397018 /nfs/dbraw/zinc/39/70/18/1032397018.db2.gz UMRDGIQCUUQELA-UHFFFAOYSA-N -1 1 343.427 3.916 20 0 EHADMM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cc2ccccc2o1 ZINC000084937014 1032469567 /nfs/dbraw/zinc/46/95/67/1032469567.db2.gz HNCNLHBBQKFGJK-OAHLLOKOSA-N -1 1 331.368 3.538 20 0 EHADMM CSc1ccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000579912174 1017103785 /nfs/dbraw/zinc/10/37/85/1017103785.db2.gz SQQDJRAXSJAXNE-UHFFFAOYSA-N -1 1 347.465 3.512 20 0 EHADMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1C ZINC000135399747 1017139319 /nfs/dbraw/zinc/13/93/19/1017139319.db2.gz LFWDAGJPPDUEOO-UHFFFAOYSA-N -1 1 348.255 3.751 20 0 EHADMM CCC[C@H](NCc1ncc(Br)cc1[O-])c1ccccn1 ZINC000892911719 1017699140 /nfs/dbraw/zinc/69/91/40/1017699140.db2.gz NJGRXKBKDAGGFM-LBPRGKRZSA-N -1 1 336.233 3.576 20 0 EHADMM CN(Cc1cc(F)c([O-])c(F)c1)Cc1ncccc1C(F)(F)F ZINC001140988031 1017730728 /nfs/dbraw/zinc/73/07/28/1017730728.db2.gz KMQWBKPYGDPQPM-UHFFFAOYSA-N -1 1 332.272 3.716 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000031721569 1032751790 /nfs/dbraw/zinc/75/17/90/1032751790.db2.gz AVLWVESQDYMRQD-UHFFFAOYSA-N -1 1 325.817 3.928 20 0 EHADMM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000235822310 1018307691 /nfs/dbraw/zinc/30/76/91/1018307691.db2.gz JGLKOTYWHSJNJB-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000007056233 1018442347 /nfs/dbraw/zinc/44/23/47/1018442347.db2.gz LGYKOWVOOIRZHK-UHFFFAOYSA-N -1 1 344.219 3.997 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1OCC ZINC000321739559 1018612575 /nfs/dbraw/zinc/61/25/75/1018612575.db2.gz ZACFGALOEJLQLY-UHFFFAOYSA-N -1 1 335.425 3.593 20 0 EHADMM CC(C)(C)C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000340610209 1018710175 /nfs/dbraw/zinc/71/01/75/1018710175.db2.gz XRVGLNUEMCYJSC-QGZVFWFLSA-N -1 1 349.434 3.830 20 0 EHADMM O=C([O-])[C@H](c1ccsc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000580206132 1018787140 /nfs/dbraw/zinc/78/71/40/1018787140.db2.gz QXNVKELXPIHNGH-CJNGLKHVSA-N -1 1 333.478 3.988 20 0 EHADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435442673 1019021844 /nfs/dbraw/zinc/02/18/44/1019021844.db2.gz MBNXQCFTEAHHJX-VXNVDRBHSA-N -1 1 326.220 3.599 20 0 EHADMM C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])CC2(CCCCC2)O1 ZINC000656192289 1019178529 /nfs/dbraw/zinc/17/85/29/1019178529.db2.gz NVFSAGFMQODFPQ-CYBMUJFWSA-N -1 1 337.847 3.962 20 0 EHADMM C[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CC2(CCCCC2)O1 ZINC000656192289 1019178536 /nfs/dbraw/zinc/17/85/36/1019178536.db2.gz NVFSAGFMQODFPQ-CYBMUJFWSA-N -1 1 337.847 3.962 20 0 EHADMM COc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)c(Cl)c1 ZINC000340679888 1019209400 /nfs/dbraw/zinc/20/94/00/1019209400.db2.gz JPDCYZDQSXXRSD-GOSISDBHSA-N -1 1 349.789 3.504 20 0 EHADMM O=S(=O)([N-]CCC1=CCCC1)c1cc(Cl)sc1Cl ZINC000513166629 1019319191 /nfs/dbraw/zinc/31/91/91/1019319191.db2.gz RRJWYQLOSAUJLK-UHFFFAOYSA-N -1 1 326.270 3.834 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1 ZINC000513385733 1019613884 /nfs/dbraw/zinc/61/38/84/1019613884.db2.gz ZIQGWNBSUFSRRE-UHFFFAOYSA-N -1 1 327.352 3.706 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccnc1SCC1CCCCC1 ZINC000647815804 1019691300 /nfs/dbraw/zinc/69/13/00/1019691300.db2.gz MCDZFXPUTUVXAW-UHFFFAOYSA-N -1 1 346.456 3.743 20 0 EHADMM CC[C@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580779055 1020003906 /nfs/dbraw/zinc/00/39/06/1020003906.db2.gz VYPNTYAPMRDIPX-DZGCQCFKSA-N -1 1 344.224 3.836 20 0 EHADMM CC[C@]1(C)CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580779055 1020003919 /nfs/dbraw/zinc/00/39/19/1020003919.db2.gz VYPNTYAPMRDIPX-DZGCQCFKSA-N -1 1 344.224 3.836 20 0 EHADMM [O-]c1cc(F)c(-c2ccc([C@H]3CN4CCSC4=N3)cc2)cc1F ZINC001211351807 1020054069 /nfs/dbraw/zinc/05/40/69/1020054069.db2.gz DBFHYUYLYSGOPG-OAHLLOKOSA-N -1 1 332.375 3.797 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CSc2ccccc21 ZINC000345295872 1020135515 /nfs/dbraw/zinc/13/55/15/1020135515.db2.gz KCWJYLJNMUHYRG-AWEZNQCLSA-N -1 1 337.404 3.610 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1Br ZINC000263532193 1020506822 /nfs/dbraw/zinc/50/68/22/1020506822.db2.gz XDGIQFSPZJGYLP-ZJUUUORDSA-N -1 1 346.652 3.788 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1F ZINC000340968245 1020701278 /nfs/dbraw/zinc/70/12/78/1020701278.db2.gz KCXRWFJHBJGBIP-UHFFFAOYSA-N -1 1 343.326 3.767 20 0 EHADMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1 ZINC000656614843 1021032469 /nfs/dbraw/zinc/03/24/69/1021032469.db2.gz QEILDJDHQPEZPM-ZDUSSCGKSA-N -1 1 347.436 3.867 20 0 EHADMM CCN(Cc1ccccc1Cl)C(=O)c1c(F)ccc([O-])c1F ZINC000341164431 1021036864 /nfs/dbraw/zinc/03/68/64/1021036864.db2.gz BYHHBGDZHBYQOG-UHFFFAOYSA-N -1 1 325.742 3.986 20 0 EHADMM CSc1ccc(Cl)cc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001215912736 1021120602 /nfs/dbraw/zinc/12/06/02/1021120602.db2.gz RULWAFUNZAZSMU-UHFFFAOYSA-N -1 1 343.857 3.915 20 0 EHADMM CCCc1ncc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)s1 ZINC000439137373 1021175098 /nfs/dbraw/zinc/17/50/98/1021175098.db2.gz CHUOLTJJYUNNNH-UHFFFAOYSA-N -1 1 332.454 3.530 20 0 EHADMM C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC000436817405 1021243826 /nfs/dbraw/zinc/24/38/26/1021243826.db2.gz XLHLZKSYTZEFRF-VIFPVBQESA-N -1 1 339.317 3.831 20 0 EHADMM O=C(NCCCCOCCc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000436807983 1021253750 /nfs/dbraw/zinc/25/37/50/1021253750.db2.gz JWZCHZRGSIFQHI-UHFFFAOYSA-N -1 1 347.842 3.815 20 0 EHADMM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)S1 ZINC000007154776 1021259756 /nfs/dbraw/zinc/25/97/56/1021259756.db2.gz JQYPSRHCWYXONR-LFIBNONCSA-N -1 1 347.399 3.863 20 0 EHADMM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000436829762 1021263121 /nfs/dbraw/zinc/26/31/21/1021263121.db2.gz MQXVLAUBYPFRMH-SJKOYZFVSA-N -1 1 329.371 3.763 20 0 EHADMM C[C@@H](c1ccccc1Cl)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756353 1021276059 /nfs/dbraw/zinc/27/60/59/1021276059.db2.gz BKAFABBRPIOUGA-AXFHLTTASA-N -1 1 335.753 3.986 20 0 EHADMM CCOCCOc1ccccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436870823 1021310062 /nfs/dbraw/zinc/31/00/62/1021310062.db2.gz GDEAPZAKUOYHJD-UHFFFAOYSA-N -1 1 344.342 3.664 20 0 EHADMM [O-]c1ccc(-c2noc(CCCc3ccc(O)c(F)c3)n2)cc1F ZINC000436875190 1021318562 /nfs/dbraw/zinc/31/85/62/1021318562.db2.gz SUPDBNGHOORAPG-UHFFFAOYSA-N -1 1 332.306 3.601 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(F)ccc3-n3cccn3)n2)c(F)c1 ZINC000436881841 1021334077 /nfs/dbraw/zinc/33/40/77/1021334077.db2.gz YLGJJZVWRDATRD-UHFFFAOYSA-N -1 1 340.289 3.573 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCCC2CC2)c1 ZINC000077027443 1021354604 /nfs/dbraw/zinc/35/46/04/1021354604.db2.gz RHWCXZPXPNKDMS-UHFFFAOYSA-N -1 1 344.484 3.613 20 0 EHADMM O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1ccc(O)cc1[O-] ZINC000436939224 1021401739 /nfs/dbraw/zinc/40/17/39/1021401739.db2.gz NHGNEAXUQQDVSB-UHFFFAOYSA-N -1 1 330.340 3.613 20 0 EHADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000436946058 1021406572 /nfs/dbraw/zinc/40/65/72/1021406572.db2.gz CERKMZAOTXNTMV-QFYYESIMSA-N -1 1 337.778 3.691 20 0 EHADMM CC(C)(C)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(F)cc1F ZINC000436947387 1021408100 /nfs/dbraw/zinc/40/81/00/1021408100.db2.gz MATLJMJBAGZSLE-QGZVFWFLSA-N -1 1 347.361 3.757 20 0 EHADMM COc1ccccc1C1(CNC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436987029 1021440946 /nfs/dbraw/zinc/44/09/46/1021440946.db2.gz GZWDDECVQRHRGO-UHFFFAOYSA-N -1 1 331.799 3.516 20 0 EHADMM COCCNc1ccccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436997192 1021453836 /nfs/dbraw/zinc/45/38/36/1021453836.db2.gz FVFDYLDWSVIABT-UHFFFAOYSA-N -1 1 328.412 3.826 20 0 EHADMM CC(C)[C@H]1N(C(=O)c2ccc(Br)cc2[O-])CC1(C)C ZINC000437006346 1021463078 /nfs/dbraw/zinc/46/30/78/1021463078.db2.gz RATOVVJAMJUCRT-CYBMUJFWSA-N -1 1 326.234 3.661 20 0 EHADMM Cc1ccccc1[C@@H]1CN(CC[C@H](C(=O)[O-])c2ccccc2)CCO1 ZINC000581731567 1021647149 /nfs/dbraw/zinc/64/71/49/1021647149.db2.gz GLLKLFWGYLAMNC-PMACEKPBSA-N -1 1 339.435 3.627 20 0 EHADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000549989924 1021736617 /nfs/dbraw/zinc/73/66/17/1021736617.db2.gz ZXZUBCLTTNSYBC-NWDGAFQWSA-N -1 1 331.796 3.564 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@@H]4CCC[C@H]43)c2)o1 ZINC000933568693 1022176316 /nfs/dbraw/zinc/17/63/16/1022176316.db2.gz SOXNKCUUIHHLDW-SUMWQHHRSA-N -1 1 339.391 3.869 20 0 EHADMM CC(C)c1ncc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000441390168 1022207108 /nfs/dbraw/zinc/20/71/08/1022207108.db2.gz YQOBSHPILGIASE-UHFFFAOYSA-N -1 1 335.407 3.731 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)sc1Cl ZINC000473761646 1022680890 /nfs/dbraw/zinc/68/08/90/1022680890.db2.gz JTNMHHMAIQNMIR-UHFFFAOYSA-N -1 1 345.877 3.891 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1C(F)(F)F ZINC000438750418 1022979312 /nfs/dbraw/zinc/97/93/12/1022979312.db2.gz BDBSAGBXFXTUFM-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc3cc(F)ccc3o2)c1 ZINC000426790585 1023049546 /nfs/dbraw/zinc/04/95/46/1023049546.db2.gz DUSDDUMTDLDGSJ-QGZVFWFLSA-N -1 1 343.354 3.886 20 0 EHADMM CC[C@](C)(C(=O)[O-])[N@H+](Cc1nc(C(F)(F)F)cs1)CC1CC1 ZINC000518218919 1023126207 /nfs/dbraw/zinc/12/62/07/1023126207.db2.gz VAZOILFFCCXJAA-CYBMUJFWSA-N -1 1 336.379 3.627 20 0 EHADMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426963411 1023139125 /nfs/dbraw/zinc/13/91/25/1023139125.db2.gz HIBOYRJJTZNVNM-IOASZLSFSA-N -1 1 341.480 3.546 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431144362 1023331366 /nfs/dbraw/zinc/33/13/66/1023331366.db2.gz RZBMQTNLPHHCDL-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000092599649 1023464614 /nfs/dbraw/zinc/46/46/14/1023464614.db2.gz KSADAGBIHKCHLO-RYUDHWBXSA-N -1 1 334.416 3.752 20 0 EHADMM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000171209498 1033142246 /nfs/dbraw/zinc/14/22/46/1033142246.db2.gz FGDLYHSUOIRNLF-SJCJKPOMSA-N -1 1 331.799 3.648 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000535794538 1023642637 /nfs/dbraw/zinc/64/26/37/1023642637.db2.gz FORDZFLVSATUKJ-INIZCTEOSA-N -1 1 331.362 3.908 20 0 EHADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000684609057 1023750919 /nfs/dbraw/zinc/75/09/19/1023750919.db2.gz FCMYXIDXCZRAEF-UHFFFAOYSA-N -1 1 333.453 3.929 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC)c(F)c2)c1 ZINC000443462076 1023965042 /nfs/dbraw/zinc/96/50/42/1023965042.db2.gz PTWVLYJEPPAGCJ-UHFFFAOYSA-N -1 1 335.400 3.782 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(C)c1O ZINC000535894921 1023974704 /nfs/dbraw/zinc/97/47/04/1023974704.db2.gz LMVUHLZIEPHUAI-UHFFFAOYSA-N -1 1 329.780 3.602 20 0 EHADMM CC(C)OCc1ccccc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000520518656 1024039834 /nfs/dbraw/zinc/03/98/34/1024039834.db2.gz VFKKCAQWKRIQSI-UHFFFAOYSA-N -1 1 333.815 3.901 20 0 EHADMM O=C(Nc1ccccc1NCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000094068089 1024183450 /nfs/dbraw/zinc/18/34/50/1024183450.db2.gz UKVPUMJXNAXCIO-UHFFFAOYSA-N -1 1 328.265 3.758 20 0 EHADMM CCc1nnc([C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)[nH]1 ZINC000657256354 1024372388 /nfs/dbraw/zinc/37/23/88/1024372388.db2.gz ANFGKIFXNKFATD-NSHDSACASA-N -1 1 341.440 3.691 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](CSc2ccccc2)C1 ZINC000280879787 1024391765 /nfs/dbraw/zinc/39/17/65/1024391765.db2.gz YPLYFDRVIXNINQ-LBPRGKRZSA-N -1 1 349.402 3.925 20 0 EHADMM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000029044062 1024470169 /nfs/dbraw/zinc/47/01/69/1024470169.db2.gz QPLZTCHZYDGTGA-UHFFFAOYSA-N -1 1 347.436 3.725 20 0 EHADMM O=C(NCc1ccccc1N1CCCCC1)c1c(F)ccc([O-])c1F ZINC000280970249 1024470477 /nfs/dbraw/zinc/47/04/77/1024470477.db2.gz KNDGRNZBRQPPGO-UHFFFAOYSA-N -1 1 346.377 3.591 20 0 EHADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1sc(C)cc1C)C(F)(F)F ZINC000431573011 1033233842 /nfs/dbraw/zinc/23/38/42/1033233842.db2.gz ZMXWJVZXLQOFKH-OIBJUYFYSA-N -1 1 329.409 3.620 20 0 EHADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1 ZINC000431320846 1024813709 /nfs/dbraw/zinc/81/37/09/1024813709.db2.gz OPXPPYZCGFJGTJ-UHFFFAOYSA-N -1 1 334.441 3.760 20 0 EHADMM Cc1nc(-c2ccc(N[C@H](c3ccccn3)C3CC3)nc2)[n-]c(=O)c1C ZINC000895792993 1024841762 /nfs/dbraw/zinc/84/17/62/1024841762.db2.gz HPPOBKLHQBVWIF-SFHVURJKSA-N -1 1 347.422 3.819 20 0 EHADMM Cc1cc(C)cc(CS(=O)(=O)[N-]C2(C(F)F)CCCCC2)c1 ZINC000508092637 1024891959 /nfs/dbraw/zinc/89/19/59/1024891959.db2.gz DWIDIGXLVGSLEH-UHFFFAOYSA-N -1 1 331.428 3.691 20 0 EHADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)[nH]n1 ZINC000474422080 1024936793 /nfs/dbraw/zinc/93/67/93/1024936793.db2.gz OTWOXITXTWAUPI-UHFFFAOYSA-N -1 1 333.866 3.514 20 0 EHADMM O=C(Nc1ccc(-c2ccco2)cc1F)c1csc(=NC2CC2)[n-]1 ZINC000428085853 1024986196 /nfs/dbraw/zinc/98/61/96/1024986196.db2.gz UKYQXPVUPRJQLS-UHFFFAOYSA-N -1 1 343.383 3.791 20 0 EHADMM [O-]c1cccc(CN2CCN(c3nc4ccccc4o3)CC2)c1Cl ZINC000508280231 1025003202 /nfs/dbraw/zinc/00/32/02/1025003202.db2.gz RQOUYLNXNIWJPU-UHFFFAOYSA-N -1 1 343.814 3.509 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccccc2SC)[nH]n1 ZINC000436020134 1025320599 /nfs/dbraw/zinc/32/05/99/1025320599.db2.gz JERPMGDALPTBPX-LLVKDONJSA-N -1 1 339.486 3.836 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1F ZINC000436159577 1025423898 /nfs/dbraw/zinc/42/38/98/1025423898.db2.gz YZOQZHOPTJXSMA-UHFFFAOYSA-N -1 1 335.400 3.514 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(F)c(Cl)c2)n1 ZINC000436186823 1025439574 /nfs/dbraw/zinc/43/95/74/1025439574.db2.gz JWEQTYOTADIUFW-UHFFFAOYSA-N -1 1 326.780 3.512 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CSc3ccccc32)cc(Cl)c1[O-] ZINC000442962481 1025623504 /nfs/dbraw/zinc/62/35/04/1025623504.db2.gz GYHYTTGVRLTOCW-GFCCVEGCSA-N -1 1 335.812 3.631 20 0 EHADMM COc1cc(C(=O)NC2(c3ccc(F)cc3)CC2)cc(Cl)c1[O-] ZINC000442972244 1025632981 /nfs/dbraw/zinc/63/29/81/1025632981.db2.gz ZKQRVLIMWGWONJ-UHFFFAOYSA-N -1 1 335.762 3.612 20 0 EHADMM COc1cc(C(=O)N[C@H](C)c2cccc(F)c2F)cc(Cl)c1[O-] ZINC000443108432 1025720058 /nfs/dbraw/zinc/72/00/58/1025720058.db2.gz IWEQCRIZHIRHJO-MRVPVSSYSA-N -1 1 341.741 3.823 20 0 EHADMM Cc1nc(=O)[n-]c(O[C@H](C)c2ccc(F)cc2)c1Br ZINC001226783707 1025740170 /nfs/dbraw/zinc/74/01/70/1025740170.db2.gz ZFUDVTAXPXKIAP-MRVPVSSYSA-N -1 1 327.153 3.532 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(OC)cc2C(F)(F)F)c([O-])c1 ZINC000436509790 1025802143 /nfs/dbraw/zinc/80/21/43/1025802143.db2.gz BWSXBHFZGTXJIZ-UHFFFAOYSA-N -1 1 341.285 3.681 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)CC/C=C\c2ccccc2)c1 ZINC000436501991 1025816400 /nfs/dbraw/zinc/81/64/00/1025816400.db2.gz CJVBEHRQUIWJEF-UITAMQMPSA-N -1 1 325.364 3.611 20 0 EHADMM NC(=O)c1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1Cl ZINC000436528100 1025833630 /nfs/dbraw/zinc/83/36/30/1025833630.db2.gz NGQWEJGUYOKKPP-UHFFFAOYSA-N -1 1 340.766 3.550 20 0 EHADMM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cc(F)ccc1[O-] ZINC000436535818 1025845692 /nfs/dbraw/zinc/84/56/92/1025845692.db2.gz TVDHUEKLSOSIJD-UHFFFAOYSA-N -1 1 349.789 3.620 20 0 EHADMM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc(F)ccc1[O-] ZINC000436537988 1025865737 /nfs/dbraw/zinc/86/57/37/1025865737.db2.gz QEZGPRANEOZNPF-ZDUSSCGKSA-N -1 1 348.349 3.514 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(C)cc3F)no2)c1 ZINC000436541863 1025870948 /nfs/dbraw/zinc/87/09/48/1025870948.db2.gz ZSRJYRQSVFFORC-UHFFFAOYSA-N -1 1 327.315 3.515 20 0 EHADMM C[S@](=O)Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436542423 1025874708 /nfs/dbraw/zinc/87/47/08/1025874708.db2.gz BXBNKEUHHLFZGS-DEOSSOPVSA-N -1 1 339.416 3.676 20 0 EHADMM COc1ccccc1C1(c2noc(-c3ccc([O-])cc3F)n2)CC1 ZINC000436560981 1025884895 /nfs/dbraw/zinc/88/48/95/1025884895.db2.gz AHBDLYPQCCCOFJ-UHFFFAOYSA-N -1 1 326.327 3.670 20 0 EHADMM CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436561093 1025888289 /nfs/dbraw/zinc/88/82/89/1025888289.db2.gz HTLAQBREZAALPD-UHFFFAOYSA-N -1 1 340.423 3.826 20 0 EHADMM CCc1c(NC(=O)c2cc(F)ccc2[O-])cnn1-c1cccc(C)c1 ZINC000436593013 1025908354 /nfs/dbraw/zinc/90/83/54/1025908354.db2.gz BKHOYHPMXQEHAU-UHFFFAOYSA-N -1 1 339.370 3.840 20 0 EHADMM COCCN(C(=O)c1cc2ccccc2cc1[O-])[C@H]1CC[C@H](C)C1 ZINC000436595560 1025914551 /nfs/dbraw/zinc/91/45/51/1025914551.db2.gz MTDZWIZLCTUFBS-YOEHRIQHSA-N -1 1 327.424 3.823 20 0 EHADMM O=C(NCc1ccn(C2CCCC2)n1)c1ccc2ccccc2c1[O-] ZINC000436597737 1025916225 /nfs/dbraw/zinc/91/62/25/1025916225.db2.gz WQCJELDJZQCWHZ-UHFFFAOYSA-N -1 1 335.407 3.787 20 0 EHADMM C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436601662 1025932004 /nfs/dbraw/zinc/93/20/04/1025932004.db2.gz CPYMWMGGASKTFP-GFCCVEGCSA-N -1 1 339.416 3.998 20 0 EHADMM Cc1ccnc([C@@H](NC(=O)c2ccc3ccccc3c2[O-])C2CC2)n1 ZINC000436682740 1026035242 /nfs/dbraw/zinc/03/52/42/1026035242.db2.gz RLRDADCFYNGCHV-KRWDZBQOSA-N -1 1 333.391 3.525 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cccc(C)c3F)no2)c1 ZINC000436686860 1026039770 /nfs/dbraw/zinc/03/97/70/1026039770.db2.gz JFSLIXJRDDGLJV-UHFFFAOYSA-N -1 1 327.315 3.515 20 0 EHADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000909569424 1026075989 /nfs/dbraw/zinc/07/59/89/1026075989.db2.gz OFMDKDJXNVGJRH-QGZVFWFLSA-N -1 1 349.434 3.817 20 0 EHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000436719728 1026090372 /nfs/dbraw/zinc/09/03/72/1026090372.db2.gz PUBCKFLJCZVYIM-INIZCTEOSA-N -1 1 344.842 3.787 20 0 EHADMM Cc1nc(-c2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)cs1 ZINC000436733333 1026125028 /nfs/dbraw/zinc/12/50/28/1026125028.db2.gz HAUBHYSDEKVOLJ-UHFFFAOYSA-N -1 1 338.388 3.646 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2ccc(F)cc2C1 ZINC000436762141 1026131037 /nfs/dbraw/zinc/13/10/37/1026131037.db2.gz BXKHDHGLUATSLF-UHFFFAOYSA-N -1 1 339.288 3.749 20 0 EHADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])C1(C)C ZINC000436751699 1026139348 /nfs/dbraw/zinc/13/93/48/1026139348.db2.gz NAUKBQINELUICU-ZIAGYGMSSA-N -1 1 345.361 3.687 20 0 EHADMM O=c1[nH]c(SCc2nc(C3CCCCC3)cs2)nc2n[nH]cc21 ZINC000277584702 1026176422 /nfs/dbraw/zinc/17/64/22/1026176422.db2.gz KWKJKPPUNACVBZ-UHFFFAOYSA-N -1 1 347.469 3.855 20 0 EHADMM COc1ccc(C)cc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869753 1026241909 /nfs/dbraw/zinc/24/19/09/1026241909.db2.gz ZUHBWBBGUKECGG-UHFFFAOYSA-N -1 1 325.286 3.980 20 0 EHADMM C[C@H](CN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1)c1nccs1 ZINC000684876799 1026289839 /nfs/dbraw/zinc/28/98/39/1026289839.db2.gz BPDITYBZHFBNPJ-SECBINFHSA-N -1 1 344.358 3.743 20 0 EHADMM CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)Cc2ccccc2C1 ZINC000684876875 1026291746 /nfs/dbraw/zinc/29/17/46/1026291746.db2.gz CSZDYKINWMJXRW-UHFFFAOYSA-N -1 1 335.325 3.698 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCc2cccc(O)c21 ZINC000684876913 1026300443 /nfs/dbraw/zinc/30/04/43/1026300443.db2.gz DVKCCSHRXWMPSL-UHFFFAOYSA-N -1 1 337.297 3.710 20 0 EHADMM C[C@H]1[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCN1c1ccccc1 ZINC000582512883 1026459655 /nfs/dbraw/zinc/45/96/55/1026459655.db2.gz AUEJEWAQTODYRW-SWLSCSKDSA-N -1 1 339.370 3.964 20 0 EHADMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc3ccccc3o2)s1 ZINC000531009803 1026479959 /nfs/dbraw/zinc/47/99/59/1026479959.db2.gz ORLNUCRNLWMSNY-NSHDSACASA-N -1 1 335.450 3.712 20 0 EHADMM O=S(=O)([N-]Cc1cc2c(s1)CCCC2)c1cc2ccccc2o1 ZINC000531008346 1026480487 /nfs/dbraw/zinc/48/04/87/1026480487.db2.gz RNOPSFKVFZATMV-UHFFFAOYSA-N -1 1 347.461 3.852 20 0 EHADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000511149451 1026507997 /nfs/dbraw/zinc/50/79/97/1026507997.db2.gz GXZFZFRNYNSWNI-UHFFFAOYSA-N -1 1 341.436 3.629 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1cc2ccccc2o1 ZINC000531247390 1026723966 /nfs/dbraw/zinc/72/39/66/1026723966.db2.gz MQXMYNVEOHMEPY-GOSISDBHSA-N -1 1 327.405 3.862 20 0 EHADMM Cc1nc(-c2ccc(N3C[C@H](C)[C@H]4CCCC[C@@H]43)nc2)[n-]c(=O)c1C ZINC000302160425 1027073665 /nfs/dbraw/zinc/07/36/65/1027073665.db2.gz JQTCQQPKYCQONA-VUCTXSBTSA-N -1 1 338.455 3.876 20 0 EHADMM O=S(=O)([N-]Cc1cc2ccccc2o1)c1c(F)cccc1Cl ZINC000545916337 1027179065 /nfs/dbraw/zinc/17/90/65/1027179065.db2.gz QGARZMZBWDYGBD-UHFFFAOYSA-N -1 1 339.775 3.704 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000261863560 1027545454 /nfs/dbraw/zinc/54/54/54/1027545454.db2.gz GEUSRHJWBPJEDV-LBPRGKRZSA-N -1 1 336.482 3.948 20 0 EHADMM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000548770381 1027742240 /nfs/dbraw/zinc/74/22/40/1027742240.db2.gz ZXEKJAZTIJNCCH-OAHLLOKOSA-N -1 1 335.407 3.990 20 0 EHADMM COc1ccc([C@@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000133009245 1027988973 /nfs/dbraw/zinc/98/89/73/1027988973.db2.gz BGIFZHRICXEGGZ-CYBMUJFWSA-N -1 1 331.799 3.684 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000134350268 1028113964 /nfs/dbraw/zinc/11/39/64/1028113964.db2.gz TYKSLWUTVVFHFN-MRXNPFEDSA-N -1 1 339.416 3.821 20 0 EHADMM Cc1ccc([C@@]2(C)CCN(Cc3nc(=O)c4sccc4[n-]3)C2)cc1 ZINC000375733572 1028437608 /nfs/dbraw/zinc/43/76/08/1028437608.db2.gz BRMGBNQMJVVKQX-IBGZPJMESA-N -1 1 339.464 3.869 20 0 EHADMM Cc1n[nH]c(C)c1[C@H](C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448633 1028780405 /nfs/dbraw/zinc/78/04/05/1028780405.db2.gz SJYJEGOYEXDAFZ-MRVPVSSYSA-N -1 1 332.791 3.782 20 0 EHADMM COc1cncc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445445280 1028803195 /nfs/dbraw/zinc/80/31/95/1028803195.db2.gz IVLJWELWEPENOW-DJWKRKHSSA-N -1 1 329.743 3.670 20 0 EHADMM CC(C)Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc(=O)[nH]1 ZINC000445461189 1028830684 /nfs/dbraw/zinc/83/06/84/1028830684.db2.gz FXBQVMLGEDJFDF-UHFFFAOYSA-N -1 1 329.331 3.547 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cccc([C@@H]4CCOC4)c3)n2)cc1F ZINC000445477642 1028834743 /nfs/dbraw/zinc/83/47/43/1028834743.db2.gz OHIFBFPBVGECQI-CQSZACIVSA-N -1 1 326.327 3.752 20 0 EHADMM COc1ccc(OCCCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445481641 1028841993 /nfs/dbraw/zinc/84/19/93/1028841993.db2.gz NJTDTWWQPKIOBY-UHFFFAOYSA-N -1 1 344.342 3.602 20 0 EHADMM [O-]c1ccc(-c2noc(COc3ccc(F)cc3Cl)n2)cc1F ZINC000445476918 1028856916 /nfs/dbraw/zinc/85/69/16/1028856916.db2.gz JZOGVXQQXRRDJP-UHFFFAOYSA-N -1 1 338.697 3.953 20 0 EHADMM CCOc1cc(-c2noc([C@H](C)CSC)n2)cc(Cl)c1[O-] ZINC000278097745 1028971546 /nfs/dbraw/zinc/97/15/46/1028971546.db2.gz PEUGTEAKUIVBMZ-MRVPVSSYSA-N -1 1 328.821 3.961 20 0 EHADMM Cc1nc(-c2ccc(N3CCCCC(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000445669774 1029047744 /nfs/dbraw/zinc/04/77/44/1029047744.db2.gz HKIUBOZAOZCUIA-UHFFFAOYSA-N -1 1 326.444 3.878 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)c1 ZINC000524292620 1029055054 /nfs/dbraw/zinc/05/50/54/1029055054.db2.gz BYEHKLDHVUQFAC-UHFFFAOYSA-N -1 1 333.453 3.931 20 0 EHADMM CC(C)(C)OC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000271975209 1029256560 /nfs/dbraw/zinc/25/65/60/1029256560.db2.gz IJLYQQYGLMKVTN-UHFFFAOYSA-N -1 1 345.361 3.831 20 0 EHADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000524624112 1029357944 /nfs/dbraw/zinc/35/79/44/1029357944.db2.gz HNCGREHNUSJRMY-UHFFFAOYSA-N -1 1 325.430 3.798 20 0 EHADMM O=C([O-])c1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(Cl)c1 ZINC000446149026 1029436991 /nfs/dbraw/zinc/43/69/91/1029436991.db2.gz HSWKEPMJXZZJQX-UHFFFAOYSA-N -1 1 341.676 3.995 20 0 EHADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000583290187 1029570522 /nfs/dbraw/zinc/57/05/22/1029570522.db2.gz LXDCAADBKLTVNI-GXTWGEPZSA-N -1 1 331.362 3.764 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000080311285 1029801219 /nfs/dbraw/zinc/80/12/19/1029801219.db2.gz UDLNXXAUEWALJU-UHFFFAOYSA-N -1 1 346.383 3.954 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@@H](CC(C)C)C(=O)OC(C)(C)C)n1 ZINC000600535716 1029949595 /nfs/dbraw/zinc/94/95/95/1029949595.db2.gz RJWHJZAKDVVABL-LBPRGKRZSA-N -1 1 326.462 3.593 20 0 EHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000171013860 1030011362 /nfs/dbraw/zinc/01/13/62/1030011362.db2.gz UAWZUIPJJYPPFW-CYBMUJFWSA-N -1 1 331.437 3.684 20 0 EHADMM CCc1[n-][nH]c(=NC(=O)c2cccc(C(C)C)c2)c1Br ZINC000611774273 1030014569 /nfs/dbraw/zinc/01/45/69/1030014569.db2.gz NEKXGBNBYGARJA-UHFFFAOYSA-N -1 1 336.233 3.532 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481964123 1030145746 /nfs/dbraw/zinc/14/57/46/1030145746.db2.gz ZPLWSECWTORCAL-UHFFFAOYSA-N -1 1 345.342 3.579 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCSC[C@H]1C1CCC1 ZINC000668061753 1030486009 /nfs/dbraw/zinc/48/60/09/1030486009.db2.gz JJDGWTKJAIETAZ-ZDUSSCGKSA-N -1 1 345.386 3.769 20 0 EHADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc2c1OC(C)(C)C[C@@H]2O ZINC000901962640 1030745426 /nfs/dbraw/zinc/74/54/26/1030745426.db2.gz QADBTJSQMZKOSM-WFASDCNBSA-N -1 1 341.473 3.602 20 0 EHADMM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)s1 ZINC000175688004 1031330589 /nfs/dbraw/zinc/33/05/89/1031330589.db2.gz CCICLJWPKRNQDF-UHFFFAOYSA-N -1 1 337.253 3.868 20 0 EHADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cn3ccccc3n2)cc1 ZINC000904001914 1031588104 /nfs/dbraw/zinc/58/81/04/1031588104.db2.gz JWWBJYGZHNFWNR-SFHVURJKSA-N -1 1 337.423 3.763 20 0 EHADMM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)c(C)c1 ZINC000904044468 1031661984 /nfs/dbraw/zinc/66/19/84/1031661984.db2.gz AOMASSUKCPZDBL-SFHVURJKSA-N -1 1 331.387 3.838 20 0 EHADMM O=C([O-])CN(Cc1cnc(-c2ccc(Cl)cc2)s1)CC1CC1 ZINC000650798538 1031808895 /nfs/dbraw/zinc/80/88/95/1031808895.db2.gz AURYWOZIRYCFGD-UHFFFAOYSA-N -1 1 336.844 3.760 20 0 EHADMM CC(C)(NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1cccs1 ZINC000904218480 1031855162 /nfs/dbraw/zinc/85/51/62/1031855162.db2.gz KKVHGXSGNQSFKP-UHFFFAOYSA-N -1 1 348.468 3.667 20 0 EHADMM Cc1nnc([N-]C(=O)c2csc(-c3c(F)cccc3F)n2)s1 ZINC000171024141 1032004131 /nfs/dbraw/zinc/00/41/31/1032004131.db2.gz KDWMBJSEMHZYAF-UHFFFAOYSA-N -1 1 338.364 3.501 20 0 EHADMM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c(F)ccc([O-])c1F ZINC000685408704 1033301179 /nfs/dbraw/zinc/30/11/79/1033301179.db2.gz FPZAFVPSGSLULV-UHFFFAOYSA-N -1 1 345.267 3.961 20 0 EHADMM CC(C)(C)Oc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000685425259 1033316432 /nfs/dbraw/zinc/31/64/32/1033316432.db2.gz BEGNEZUWRDCJND-UHFFFAOYSA-N -1 1 335.350 3.778 20 0 EHADMM O=C(Nc1nc2c(ccc(F)c2F)s1)c1c(F)ccc([O-])c1F ZINC000685458424 1033347679 /nfs/dbraw/zinc/34/76/79/1033347679.db2.gz SOBMUQNXVMNIFK-UHFFFAOYSA-N -1 1 342.273 3.811 20 0 EHADMM O=C(COc1cc(Cl)ccc1Cl)Nc1cc(F)cc(F)c1[O-] ZINC001142542709 1033412628 /nfs/dbraw/zinc/41/26/28/1033412628.db2.gz UJZJVGIYKKFFKM-UHFFFAOYSA-N -1 1 348.132 3.995 20 0 EHADMM CC(C)(NC(=O)c1ccc2ccccc2c1[O-])C(=O)Nc1ccccc1 ZINC000594558077 1033448838 /nfs/dbraw/zinc/44/88/38/1033448838.db2.gz BSQBROCFIHYPDW-UHFFFAOYSA-N -1 1 348.402 3.693 20 0 EHADMM Cc1ccccc1CN(C)C(=O)c1ccc(Br)cc1[O-] ZINC000044490873 1033497149 /nfs/dbraw/zinc/49/71/49/1033497149.db2.gz WHQVLHOQWMHQIV-UHFFFAOYSA-N -1 1 334.213 3.735 20 0 EHADMM CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000608461205 1033717285 /nfs/dbraw/zinc/71/72/85/1033717285.db2.gz WLJVKLIDWMSHPX-CABCVRRESA-N -1 1 346.471 3.821 20 0 EHADMM CC1(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000575113683 1033880454 /nfs/dbraw/zinc/88/04/54/1033880454.db2.gz VSLQFTCUYXKNCP-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2C)n[nH]c1-c1ccccc1 ZINC000534065033 1034068329 /nfs/dbraw/zinc/06/83/29/1034068329.db2.gz PIZZSSJGRNEOIV-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM CCN(C(=O)c1ccc([O-])cc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000456098106 1034092774 /nfs/dbraw/zinc/09/27/74/1034092774.db2.gz LCOJONUOHJXJRA-ZDUSSCGKSA-N -1 1 331.387 3.633 20 0 EHADMM CCOc1cc(C(=O)NCc2cc(C)cs2)cc(Cl)c1[O-] ZINC000456120373 1034130174 /nfs/dbraw/zinc/13/01/74/1034130174.db2.gz FZULXTDYYCIBLQ-UHFFFAOYSA-N -1 1 325.817 3.744 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N(CC1CCC1)c1ccccc1 ZINC000476515617 1034174329 /nfs/dbraw/zinc/17/43/29/1034174329.db2.gz RZKCVCIFPPAQAN-UHFFFAOYSA-N -1 1 327.453 3.586 20 0 EHADMM COc1cc(-c2nc(CC3(CSC)CC3)no2)cc(Cl)c1[O-] ZINC000596607954 1034317861 /nfs/dbraw/zinc/31/78/61/1034317861.db2.gz COCCCCDVAPDOFU-UHFFFAOYSA-N -1 1 340.832 3.790 20 0 EHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000604839456 1034521509 /nfs/dbraw/zinc/52/15/09/1034521509.db2.gz FGONWXXRWUDSLI-UHFFFAOYSA-N -1 1 341.436 3.797 20 0 EHADMM COCCCOCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233828 1034562829 /nfs/dbraw/zinc/56/28/29/1034562829.db2.gz XOVMBFJBLBCERA-UHFFFAOYSA-N -1 1 337.803 3.581 20 0 EHADMM COc1ccc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)c([O-])c1 ZINC000605025602 1034597392 /nfs/dbraw/zinc/59/73/92/1034597392.db2.gz OYIJWRRJOPCSMJ-UHFFFAOYSA-N -1 1 325.368 3.584 20 0 EHADMM FC(F)(F)C[C@@H]1CCCC[C@@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000450660415 1034655372 /nfs/dbraw/zinc/65/53/72/1034655372.db2.gz KSUYPINHOLNQQB-BQBZGAKWSA-N -1 1 333.301 3.902 20 0 EHADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)[C@H]1OCCc2sccc21 ZINC000456784756 1034730085 /nfs/dbraw/zinc/73/00/85/1034730085.db2.gz MNLMGXPZFHWJQU-ANRSDYALSA-N -1 1 339.363 3.621 20 0 EHADMM Cc1oc(-c2cccs2)nc1CC(=O)Nc1c([O-])cccc1F ZINC000605439361 1034734874 /nfs/dbraw/zinc/73/48/74/1034734874.db2.gz HLWXIFROWUELOI-UHFFFAOYSA-N -1 1 332.356 3.737 20 0 EHADMM CC(C)OCCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000450976570 1034978404 /nfs/dbraw/zinc/97/84/04/1034978404.db2.gz ZOCXBIIDQZEZJF-UHFFFAOYSA-N -1 1 347.889 3.648 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1 ZINC000008697874 1035039192 /nfs/dbraw/zinc/03/91/92/1035039192.db2.gz ZLUWQTRFHOLVJD-UHFFFAOYSA-N -1 1 326.421 3.988 20 0 EHADMM CCOc1cc(C(=O)NC[C@H](C)CC(F)(F)F)cc(Cl)c1[O-] ZINC000413982769 1035321411 /nfs/dbraw/zinc/32/14/11/1035321411.db2.gz KMFRJOSYJLVXML-MRVPVSSYSA-N -1 1 339.741 3.763 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C ZINC000413999856 1035341566 /nfs/dbraw/zinc/34/15/66/1035341566.db2.gz YYXIMGAGXFRTPM-CHWSQXEVSA-N -1 1 333.476 3.733 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1C1CCOCC1 ZINC000613029316 1035365039 /nfs/dbraw/zinc/36/50/39/1035365039.db2.gz YTVOWWYQXKXSHX-UHFFFAOYSA-N -1 1 332.375 3.553 20 0 EHADMM C[C@@H]1CCCN(Cc2cc(Cl)ccc2OC(F)F)[C@H]1C(=O)[O-] ZINC000318587720 1035454726 /nfs/dbraw/zinc/45/47/26/1035454726.db2.gz SXJMZBZBFUDAIR-NOZJJQNGSA-N -1 1 333.762 3.627 20 0 EHADMM Cc1nc(SCc2cc(-c3ccc(F)cc3)no2)[n-]c(=O)c1C ZINC000540715823 1035603064 /nfs/dbraw/zinc/60/30/64/1035603064.db2.gz RPGZEOFQCFFVHQ-UHFFFAOYSA-N -1 1 331.372 3.885 20 0 EHADMM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000463681334 1035738791 /nfs/dbraw/zinc/73/87/91/1035738791.db2.gz BMWHCKQUXCXFAL-LLVKDONJSA-N -1 1 327.808 3.561 20 0 EHADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000300422837 1035789303 /nfs/dbraw/zinc/78/93/03/1035789303.db2.gz UBHPSMFTURPLAA-MXWKQRLJSA-N -1 1 326.234 3.661 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)C[C@@H]3CCO[C@@H](C(C)C)C3)[nH][n-]2)s1 ZINC000541025860 1035910425 /nfs/dbraw/zinc/91/04/25/1035910425.db2.gz DBCIJPUHOFXKRO-UKRRQHHQSA-N -1 1 347.484 3.648 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000457293981 1035924716 /nfs/dbraw/zinc/92/47/16/1035924716.db2.gz MRCQMJRSEDKZML-INIZCTEOSA-N -1 1 334.366 3.692 20 0 EHADMM Cc1cc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)no1 ZINC000174553426 1036004852 /nfs/dbraw/zinc/00/48/52/1036004852.db2.gz YKTDRSYYNVMAAQ-UHFFFAOYSA-N -1 1 332.410 3.546 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000174698456 1036058514 /nfs/dbraw/zinc/05/85/14/1036058514.db2.gz HCROUPCFLJZLPH-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000332792637 1036159887 /nfs/dbraw/zinc/15/98/87/1036159887.db2.gz FKFWZJZWRPBMPA-QLFBSQMISA-N -1 1 345.487 3.877 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C ZINC000535346072 1036370962 /nfs/dbraw/zinc/37/09/62/1036370962.db2.gz QNMUNWIPVHBWEA-UHFFFAOYSA-N -1 1 343.448 3.877 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H](c2ccccc2)CO1 ZINC000175435244 1036379252 /nfs/dbraw/zinc/37/92/52/1036379252.db2.gz QCZQFPGJTQZWJF-LRDDRELGSA-N -1 1 331.799 3.648 20 0 EHADMM C[S@](=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000175529434 1036400964 /nfs/dbraw/zinc/40/09/64/1036400964.db2.gz YDGWVCFXIMBLHT-QHCPKHFHSA-N -1 1 325.389 3.535 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)CCCc2cccnc2)cc(Cl)c1[O-] ZINC000457919482 1036641885 /nfs/dbraw/zinc/64/18/85/1036641885.db2.gz YARISWBCKBDMLH-LBPRGKRZSA-N -1 1 348.830 3.590 20 0 EHADMM Cc1nc(SCc2ncc(-c3ccc(F)cc3)o2)[n-]c(=O)c1C ZINC000539617394 1036986296 /nfs/dbraw/zinc/98/62/96/1036986296.db2.gz YAGIBCGHGDVUBL-UHFFFAOYSA-N -1 1 331.372 3.885 20 0 EHADMM O=C([O-])C1CN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000263531176 1037059858 /nfs/dbraw/zinc/05/98/58/1037059858.db2.gz WODSCWGKNSAUBS-UHFFFAOYSA-N -1 1 326.179 3.770 20 0 EHADMM O=C(c1ncccc1[O-])N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000104837571 1037114505 /nfs/dbraw/zinc/11/45/05/1037114505.db2.gz FBBGUKOCGGUCAB-SFHVURJKSA-N -1 1 330.387 3.575 20 0 EHADMM CC(C=CC(=O)c1c([O-])cc(C)oc1=O)=Cc1ccc(Cl)cc1 ZINC000152595168 1037339360 /nfs/dbraw/zinc/33/93/60/1037339360.db2.gz FDXQNJLJDNPDOV-YJWXAJAUSA-N -1 1 330.767 3.515 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)cc1 ZINC000134770665 1037536875 /nfs/dbraw/zinc/53/68/75/1037536875.db2.gz XLBLLHPVUGCSKF-UHFFFAOYSA-N -1 1 335.450 3.720 20 0 EHADMM CO[C@H](C)c1nc(=NCCCCOc2ccc(Cl)cc2)s[n-]1 ZINC000509664540 1037747416 /nfs/dbraw/zinc/74/74/16/1037747416.db2.gz AIGULCOACVHBDJ-LLVKDONJSA-N -1 1 341.864 3.592 20 0 EHADMM CC(C)[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000573805158 1037752572 /nfs/dbraw/zinc/75/25/72/1037752572.db2.gz QZVCERRJNYSBMT-ZDUSSCGKSA-N -1 1 327.808 3.598 20 0 EHADMM O=C(NC1(c2ccccc2)CCCCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000506316731 1037841576 /nfs/dbraw/zinc/84/15/76/1037841576.db2.gz VRWKCXITAWYQRE-UHFFFAOYSA-N -1 1 347.418 3.513 20 0 EHADMM CCCCCOCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182903931 1037918667 /nfs/dbraw/zinc/91/86/67/1037918667.db2.gz DOZHOMUQCDSHAV-UHFFFAOYSA-N -1 1 330.222 3.608 20 0 EHADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000573955263 1037976561 /nfs/dbraw/zinc/97/65/61/1037976561.db2.gz OBNROAFOURYPML-UHFFFAOYSA-N -1 1 345.827 3.674 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000184002030 1037991940 /nfs/dbraw/zinc/99/19/40/1037991940.db2.gz GRJXAYNVEUGKOI-UHFFFAOYSA-N -1 1 349.724 3.762 20 0 EHADMM CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180362166 1038149842 /nfs/dbraw/zinc/14/98/42/1038149842.db2.gz QYTQJEBZPALYKG-UHFFFAOYSA-N -1 1 344.720 3.732 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000397508059 1038254820 /nfs/dbraw/zinc/25/48/20/1038254820.db2.gz VTSJYETYSJGOMO-WCQYABFASA-N -1 1 334.803 3.680 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1c1ccccn1 ZINC000536533140 1038276126 /nfs/dbraw/zinc/27/61/26/1038276126.db2.gz SHHUVLLMXDPNBH-CQSZACIVSA-N -1 1 347.212 3.527 20 0 EHADMM O=C(CCc1ccco1)Nc1c([O-])cc(Br)cc1Cl ZINC000552025660 1038562886 /nfs/dbraw/zinc/56/28/86/1038562886.db2.gz GWFRBXUKZBYEGL-UHFFFAOYSA-N -1 1 344.592 3.972 20 0 EHADMM Cc1nscc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552027065 1038617095 /nfs/dbraw/zinc/61/70/95/1038617095.db2.gz UIRLPOSRRXIABX-UHFFFAOYSA-N -1 1 347.621 3.825 20 0 EHADMM C[C@@H](N=c1ccc(N2CCC[C@@H]2c2cccnc2)n[n-]1)c1ccccc1 ZINC000568874039 1038837710 /nfs/dbraw/zinc/83/77/10/1038837710.db2.gz JRANSPVVOBHFTG-VQIMIIECSA-N -1 1 345.450 3.808 20 0 EHADMM CCCCCCN(C)CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910360956 1038857035 /nfs/dbraw/zinc/85/70/35/1038857035.db2.gz VPLKSSOAASLDKJ-UHFFFAOYSA-N -1 1 342.439 3.989 20 0 EHADMM CN(CCOCc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000155459443 1038918062 /nfs/dbraw/zinc/91/80/62/1038918062.db2.gz VDZNGDLNVOZCRD-UHFFFAOYSA-N -1 1 335.403 3.834 20 0 EHADMM Cc1cccc(N=c2[n-]nc(SCc3n[nH]c(C(C)C)n3)s2)c1 ZINC000488234276 1038991964 /nfs/dbraw/zinc/99/19/64/1038991964.db2.gz PBBVMOFAFIFTLN-UHFFFAOYSA-N -1 1 346.485 3.546 20 0 EHADMM S=c1nc(-c2ccccn2)[n-]n1CN1Cc2ccccc2C2(CC2)C1 ZINC000185155827 1039032976 /nfs/dbraw/zinc/03/29/76/1039032976.db2.gz DJCHYXRVRWHWNT-UHFFFAOYSA-N -1 1 349.463 3.508 20 0 EHADMM FC(F)(F)c1[n-]c(=NC2CCSCC2)sc1Br ZINC000418844832 1039047361 /nfs/dbraw/zinc/04/73/61/1039047361.db2.gz LHJUOCIRJXQHEO-UHFFFAOYSA-N -1 1 347.225 3.654 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000488290759 1039073825 /nfs/dbraw/zinc/07/38/25/1039073825.db2.gz HNYKVRVTIJGTCL-UHFFFAOYSA-N -1 1 345.342 3.790 20 0 EHADMM C[C@@H](CN1CCOc2c(cccc2C(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000905740510 1039077169 /nfs/dbraw/zinc/07/71/69/1039077169.db2.gz QWVMAVFYUFDQRL-LBPRGKRZSA-N -1 1 347.361 3.661 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC=C(c2cccnc2)C1 ZINC000552273389 1039146917 /nfs/dbraw/zinc/14/69/17/1039146917.db2.gz ICWJZZRKJKZZAI-UHFFFAOYSA-N -1 1 330.387 3.870 20 0 EHADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000910981768 1039178969 /nfs/dbraw/zinc/17/89/69/1039178969.db2.gz FSAOUJBBORREHC-CYBMUJFWSA-N -1 1 333.334 3.817 20 0 EHADMM COC(=O)c1[n-]c(=N[C@@H]2CCCc3sc(Cl)cc32)sc1C ZINC000488750644 1039383414 /nfs/dbraw/zinc/38/34/14/1039383414.db2.gz OEQWNKLOGXKDQK-SECBINFHSA-N -1 1 342.873 3.864 20 0 EHADMM COC(=O)c1[n-]c(=N[C@H]2CCCc3sc(Cl)cc32)sc1C ZINC000488750649 1039383632 /nfs/dbraw/zinc/38/36/32/1039383632.db2.gz OEQWNKLOGXKDQK-VIFPVBQESA-N -1 1 342.873 3.864 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)CC3CC(OC(C)(C)C)C3)[nH][n-]2)s1 ZINC000488982033 1039537390 /nfs/dbraw/zinc/53/73/90/1039537390.db2.gz MLURZMVOBMATSB-UHFFFAOYSA-N -1 1 347.484 3.791 20 0 EHADMM CCOc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000480487192 1039611773 /nfs/dbraw/zinc/61/17/73/1039611773.db2.gz FJMCCSPDDHCKFL-OAHLLOKOSA-N -1 1 325.836 3.951 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cc(C)sc2C)c(C)cc1C ZINC000478712008 1039650359 /nfs/dbraw/zinc/65/03/59/1039650359.db2.gz QIJSQGXNPPYLQJ-UHFFFAOYSA-N -1 1 325.455 3.791 20 0 EHADMM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1cc(Cl)sc1Cl ZINC000063186972 1039716637 /nfs/dbraw/zinc/71/66/37/1039716637.db2.gz UXWNBJKCGDUWRV-ZJUUUORDSA-N -1 1 348.276 3.889 20 0 EHADMM CO[C@@H](C)c1nsc([N-]C(=O)c2cnc(CC(C)(C)C)s2)n1 ZINC000898940238 1039747511 /nfs/dbraw/zinc/74/75/11/1039747511.db2.gz JGPLCCGEXLZCPD-QMMMGPOBSA-N -1 1 340.474 3.543 20 0 EHADMM Cc1noc(C)c1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417589861 1040043985 /nfs/dbraw/zinc/04/39/85/1040043985.db2.gz QOFXSPJPBLYQNG-AWEZNQCLSA-N -1 1 342.317 3.616 20 0 EHADMM CCO[C@@H]1C[C@@H](N=c2nc(C(F)(F)F)[n-]s2)C12CCCCC2 ZINC000553410708 1040051364 /nfs/dbraw/zinc/05/13/64/1040051364.db2.gz NWGUKJCLHVZVIN-NXEZZACHSA-N -1 1 335.395 3.519 20 0 EHADMM Cc1cc(F)c(CNC[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000417631857 1040090102 /nfs/dbraw/zinc/09/01/02/1040090102.db2.gz SFLLOICAMLJHRZ-QMMMGPOBSA-N -1 1 327.705 3.530 20 0 EHADMM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1cnc(C2CC2)[n-]c1=O ZINC000907723947 1040145294 /nfs/dbraw/zinc/14/52/94/1040145294.db2.gz GRQRWLZNTCLFOU-HOTGVXAUSA-N -1 1 337.423 3.516 20 0 EHADMM CC(C)(C)[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)c2ccccc21 ZINC000907775113 1040163085 /nfs/dbraw/zinc/16/30/85/1040163085.db2.gz QJUOZEFBBVHWKN-OAHLLOKOSA-N -1 1 337.423 3.850 20 0 EHADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC000486485827 1040178190 /nfs/dbraw/zinc/17/81/90/1040178190.db2.gz HRQFTTNRGKAFKA-UHFFFAOYSA-N -1 1 335.425 3.628 20 0 EHADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCCC2(CC2)CC1 ZINC000629378831 1040429731 /nfs/dbraw/zinc/42/97/31/1040429731.db2.gz WEFARHXALGOJSO-UHFFFAOYSA-N -1 1 327.428 3.521 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000913154463 1040597077 /nfs/dbraw/zinc/59/70/77/1040597077.db2.gz XHHUOWXMWSXIQG-UHFFFAOYSA-N -1 1 327.380 3.547 20 0 EHADMM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cccc([O-])c1Br ZINC000908708067 1040603199 /nfs/dbraw/zinc/60/31/99/1040603199.db2.gz OHRXCXLUJVTVFV-MNOVXSKESA-N -1 1 344.249 3.671 20 0 EHADMM COCC1(C(=O)Nc2cccc([O-])c2Br)CCCCC1 ZINC000908709524 1040604010 /nfs/dbraw/zinc/60/40/10/1040604010.db2.gz GAALILJIXRUAMR-UHFFFAOYSA-N -1 1 342.233 3.690 20 0 EHADMM CC[C@@H]1C[C@@H](CC(=O)Nc2cccc([O-])c2Br)CCO1 ZINC000908709959 1040604338 /nfs/dbraw/zinc/60/43/38/1040604338.db2.gz OJZCFEKWOHCWRI-WDEREUQCSA-N -1 1 342.233 3.689 20 0 EHADMM COCCC1(C(=O)Nc2cccc([O-])c2Br)CCCC1 ZINC000908709353 1040604872 /nfs/dbraw/zinc/60/48/72/1040604872.db2.gz PVENJBNKGLKBOP-UHFFFAOYSA-N -1 1 342.233 3.690 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCC[C@H]2C)cc1 ZINC000248118378 1040699210 /nfs/dbraw/zinc/69/92/10/1040699210.db2.gz WBUZQUXNCRAUMR-CQSZACIVSA-N -1 1 344.484 3.707 20 0 EHADMM CC(C)C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000120678621 1041108235 /nfs/dbraw/zinc/10/82/35/1041108235.db2.gz PIWVPGQHNVMNSP-UHFFFAOYSA-N -1 1 326.234 3.663 20 0 EHADMM O=C([N-]c1nncs1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000198287566 1041720294 /nfs/dbraw/zinc/72/02/94/1041720294.db2.gz QBTCSYSJHURIHI-UHFFFAOYSA-N -1 1 328.378 3.660 20 0 EHADMM O=C(Cc1cscc1Br)Nc1ccc(F)cc1[O-] ZINC000343888102 1042487915 /nfs/dbraw/zinc/48/79/15/1042487915.db2.gz OCKXQRZCEJQZGH-UHFFFAOYSA-N -1 1 330.178 3.537 20 0 EHADMM Cc1ccc(CS(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1 ZINC000062545646 1042678913 /nfs/dbraw/zinc/67/89/13/1042678913.db2.gz MZELQTMUPCPOEU-UHFFFAOYSA-N -1 1 338.432 3.999 20 0 EHADMM CCOc1ccccc1CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186681214 1042687205 /nfs/dbraw/zinc/68/72/05/1042687205.db2.gz FRAACGCZPDYEBS-UHFFFAOYSA-N -1 1 349.814 3.773 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000344970857 1044752853 /nfs/dbraw/zinc/75/28/53/1044752853.db2.gz JCWVFDJCCWJUEE-UHFFFAOYSA-N -1 1 333.476 3.686 20 0 EHADMM CCc1cccc2c(C3CCN(C(=O)c4cncc([O-])c4)CC3)c[nH]c21 ZINC000171865477 1125509714 /nfs/dbraw/zinc/50/97/14/1125509714.db2.gz DZWUNNDGIMXYMM-UHFFFAOYSA-N -1 1 349.434 3.851 20 0 EHADMM COc1cc(C(=O)NC[C@H](C)Oc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000153906876 1125673671 /nfs/dbraw/zinc/67/36/71/1125673671.db2.gz YKNFCJDZJULFOP-LBPRGKRZSA-N -1 1 349.814 3.560 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ncn(C3CCCCC3)n2)c([O-])c1 ZINC000622506341 1126711374 /nfs/dbraw/zinc/71/13/74/1126711374.db2.gz HOMLOKPIINECOQ-UHFFFAOYSA-N -1 1 328.416 3.865 20 0 EHADMM O=C(NCc1ccc2c(n1)CCCC2)c1cc2ccccc2cc1[O-] ZINC000622558323 1126723197 /nfs/dbraw/zinc/72/31/97/1126723197.db2.gz LJEOAXZSPASGSS-UHFFFAOYSA-N -1 1 332.403 3.749 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000336876656 1126813496 /nfs/dbraw/zinc/81/34/96/1126813496.db2.gz IBZZHQUVTJGUPA-AWEZNQCLSA-N -1 1 349.818 3.609 20 0 EHADMM CC(C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000172832981 1126816096 /nfs/dbraw/zinc/81/60/96/1126816096.db2.gz NMDAFBXHEMNHHA-AWEZNQCLSA-N -1 1 346.452 3.718 20 0 EHADMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(Cl)cc(Cl)n1 ZINC000185564701 1126941948 /nfs/dbraw/zinc/94/19/48/1126941948.db2.gz RWWCMTCBGCLXLU-UHFFFAOYSA-N -1 1 348.092 3.827 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1Cl ZINC000181201370 1127269817 /nfs/dbraw/zinc/26/98/17/1127269817.db2.gz HZJVOHIIDUOXSI-UHFFFAOYSA-N -1 1 337.828 3.960 20 0 EHADMM Cc1sc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(C)c1C ZINC000195083627 1127473253 /nfs/dbraw/zinc/47/32/53/1127473253.db2.gz AJOGCVCHEABMIS-UHFFFAOYSA-N -1 1 349.481 3.777 20 0 EHADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(C(F)F)ncn1 ZINC001127780983 1127509718 /nfs/dbraw/zinc/50/97/18/1127509718.db2.gz VDAZDQJLZUKXLV-UHFFFAOYSA-N -1 1 330.294 3.630 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC2(C1)CCCCC2 ZINC000383282958 1127536232 /nfs/dbraw/zinc/53/62/32/1127536232.db2.gz SISYDFNGUHNLHS-UHFFFAOYSA-N -1 1 338.245 3.951 20 0 EHADMM O=C(Nc1ccc2c(c1)CCCO2)c1cc(Br)ccc1[O-] ZINC000383668843 1127551929 /nfs/dbraw/zinc/55/19/29/1127551929.db2.gz VCKZQKYPSIRYQZ-UHFFFAOYSA-N -1 1 348.196 3.732 20 0 EHADMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000026875463 1127775188 /nfs/dbraw/zinc/77/51/88/1127775188.db2.gz NJLIVMRSECEUFY-HTQZYQBOSA-N -1 1 328.286 3.912 20 0 EHADMM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cnncc3[O-])c2)C1 ZINC001626055246 1127907754 /nfs/dbraw/zinc/90/77/54/1127907754.db2.gz BNQBMESHZIUXJV-BBRMVZONSA-N -1 1 341.411 3.530 20 0 EHADMM CN(C)[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccsc1 ZINC000072883569 1128309405 /nfs/dbraw/zinc/30/94/05/1128309405.db2.gz JBHXOLPNWVLOBQ-ZDUSSCGKSA-N -1 1 347.465 3.585 20 0 EHADMM CCOc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1OC ZINC000055631860 1128525161 /nfs/dbraw/zinc/52/51/61/1128525161.db2.gz RATJDQIENNYTGK-UHFFFAOYSA-N -1 1 335.425 3.512 20 0 EHADMM O=C([N-][C@@H]1COc2c1cccc2Cl)C(F)(F)c1ccccc1F ZINC000765860516 1128623861 /nfs/dbraw/zinc/62/38/61/1128623861.db2.gz PQHDJMHGHZPNJG-CYBMUJFWSA-N -1 1 341.716 3.821 20 0 EHADMM CC(C)c1noc([C@@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000109713596 1128747778 /nfs/dbraw/zinc/74/77/78/1128747778.db2.gz XXIKDNZWPUSPPH-ZCFIWIBFSA-N -1 1 334.323 3.561 20 0 EHADMM CN(C)[C@@H](C(=O)Nc1cccc(F)c1[O-])c1c(F)cccc1Cl ZINC001648846920 1120053865 /nfs/dbraw/zinc/05/38/65/1120053865.db2.gz IXCJNVOSYCEQCF-CQSZACIVSA-N -1 1 340.757 3.565 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(CCF)CC1 ZINC001648963729 1120283012 /nfs/dbraw/zinc/28/30/12/1120283012.db2.gz OARYFSGDESZYCX-UHFFFAOYSA-N -1 1 336.794 3.806 20 0 EHADMM O=C(NCc1cccc(Cl)c1)c1ccc(Br)cc1[O-] ZINC000110325515 1120333169 /nfs/dbraw/zinc/33/31/69/1120333169.db2.gz OKSRMZLCKKHBII-UHFFFAOYSA-N -1 1 340.604 3.738 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N(Cc1ccccc1)C1CC1 ZINC000219058346 1120414229 /nfs/dbraw/zinc/41/42/29/1120414229.db2.gz NVTPIPMPUOJOCC-UHFFFAOYSA-N -1 1 346.224 3.960 20 0 EHADMM CC[C@H](CN(CC)C(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000185796292 1120429433 /nfs/dbraw/zinc/42/94/33/1120429433.db2.gz SMZSJEICDNMQAS-OAHLLOKOSA-N -1 1 349.434 3.579 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000187072591 1120485411 /nfs/dbraw/zinc/48/54/11/1120485411.db2.gz SDFBNQXTWWUYGQ-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CC(C)[C@@H](C)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494555937 1120593375 /nfs/dbraw/zinc/59/33/75/1120593375.db2.gz SIRFAJCPXHHCGF-GFCCVEGCSA-N -1 1 336.432 3.856 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccccc1O[C@H]1CCOC1 ZINC000190977488 1120656971 /nfs/dbraw/zinc/65/69/71/1120656971.db2.gz ABXSBPYLPRWAQR-LBPRGKRZSA-N -1 1 348.786 3.857 20 0 EHADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000229426670 1120962988 /nfs/dbraw/zinc/96/29/88/1120962988.db2.gz CCISQTYHETYTON-OUAUKWLOSA-N -1 1 326.234 3.661 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2c3ccccc3O[C@H]2C)cc(Cl)c1[O-] ZINC000495169179 1120974703 /nfs/dbraw/zinc/97/47/03/1120974703.db2.gz BDFWDVWWUHLBOV-MGPLVRAMSA-N -1 1 347.798 3.696 20 0 EHADMM O=S(=O)([N-]c1cccc(OCCF)c1)c1cccc2ccccc21 ZINC000470450384 1121265689 /nfs/dbraw/zinc/26/56/89/1121265689.db2.gz YVDVXZCALVNHFB-UHFFFAOYSA-N -1 1 345.395 3.989 20 0 EHADMM CC(C)(C)OC1CC(CCNC(=O)c2c([O-])cccc2Cl)C1 ZINC000762397569 1121280106 /nfs/dbraw/zinc/28/01/06/1121280106.db2.gz NYWZRMLPEHYZHL-UHFFFAOYSA-N -1 1 325.836 3.759 20 0 EHADMM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccc(-c2ccccc2)cn1 ZINC000062545649 1121708808 /nfs/dbraw/zinc/70/88/08/1121708808.db2.gz YCUAQJXTAHUEIL-UHFFFAOYSA-N -1 1 342.395 3.830 20 0 EHADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1C ZINC000063181337 1122275993 /nfs/dbraw/zinc/27/59/93/1122275993.db2.gz QKQFYEMGJJWWLC-UHFFFAOYSA-N -1 1 346.452 3.843 20 0 EHADMM CCc1nc(SCc2cnc(OC)c3ccccc23)[n-]c(=O)c1C ZINC000917843288 1122692111 /nfs/dbraw/zinc/69/21/11/1122692111.db2.gz NDKDZGZBMPOULF-UHFFFAOYSA-N -1 1 341.436 3.902 20 0 EHADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1 ZINC000918727764 1122898332 /nfs/dbraw/zinc/89/83/32/1122898332.db2.gz SZFHDHMRWIPHIJ-UHFFFAOYSA-N -1 1 345.420 3.500 20 0 EHADMM CCNC(=O)c1ccc(C)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000130609976 1122973919 /nfs/dbraw/zinc/97/39/19/1122973919.db2.gz LOLYUVGZXZQYHY-UHFFFAOYSA-N -1 1 348.402 3.856 20 0 EHADMM C[C@@]1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC=CCC1 ZINC000649194388 1123038051 /nfs/dbraw/zinc/03/80/51/1123038051.db2.gz OIATXEWIINKISO-HXUWFJFHSA-N -1 1 327.424 3.560 20 0 EHADMM [O-]c1ccc(-c2nc(-c3ccc(Br)o3)no2)c(F)c1 ZINC000132015695 1123195399 /nfs/dbraw/zinc/19/53/99/1123195399.db2.gz JJSRUZIPMCVVLY-UHFFFAOYSA-N -1 1 325.093 3.604 20 0 EHADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000920048469 1123268105 /nfs/dbraw/zinc/26/81/05/1123268105.db2.gz BDXVSBICAYLOKF-UKRRQHHQSA-N -1 1 341.455 3.505 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccc(Br)cc2)no1 ZINC000132979939 1123325928 /nfs/dbraw/zinc/32/59/28/1123325928.db2.gz QGROZKBTNACJJV-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM O=C(NCCCCOCCc1ccccc1)c1c([O-])cccc1Cl ZINC000920453163 1123370968 /nfs/dbraw/zinc/37/09/68/1123370968.db2.gz ADPCAYOTTUEFBO-UHFFFAOYSA-N -1 1 347.842 3.815 20 0 EHADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1c([O-])cccc1Cl ZINC000920431874 1123372740 /nfs/dbraw/zinc/37/27/40/1123372740.db2.gz UQERGMJSRIHLJI-UHFFFAOYSA-N -1 1 329.705 3.994 20 0 EHADMM COc1cc(C(=O)N(Cc2cccc(F)c2)C2CC2)cc(Cl)c1[O-] ZINC000135760039 1123644084 /nfs/dbraw/zinc/64/40/84/1123644084.db2.gz XRDMFJBCCVVCOW-UHFFFAOYSA-N -1 1 349.789 3.998 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c(C)c1 ZINC000180275088 1123975160 /nfs/dbraw/zinc/97/51/60/1123975160.db2.gz JAWOHZFWUASKDJ-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616328425 1123983625 /nfs/dbraw/zinc/98/36/25/1123983625.db2.gz LDRGLHHMFLSHPJ-OALUTQOASA-N -1 1 337.419 3.760 20 0 EHADMM CC(C)Oc1ccc(F)c(Nc2nc[n-]c(=O)c2Br)c1 ZINC001212310591 1124602986 /nfs/dbraw/zinc/60/29/86/1124602986.db2.gz NLZIXQODMYKMMR-UHFFFAOYSA-N -1 1 342.168 3.615 20 0 EHADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc3ccccc3o2)on1 ZINC000084938948 1124605938 /nfs/dbraw/zinc/60/59/38/1124605938.db2.gz OUXRWSLKBSCRNM-UHFFFAOYSA-N -1 1 348.424 3.803 20 0 EHADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(Br)co2)c(F)c1 ZINC001127618986 1124607046 /nfs/dbraw/zinc/60/70/46/1124607046.db2.gz XWXGXLDNJQTUDQ-UHFFFAOYSA-N -1 1 344.111 3.775 20 0 EHADMM CC(C)c1ccc(NC(=O)NNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000182725830 1125357572 /nfs/dbraw/zinc/35/75/72/1125357572.db2.gz HXKREMSZUGBZGG-UHFFFAOYSA-N -1 1 347.802 3.636 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC2(Cl)Cl)c1 ZINC000182908778 1125392527 /nfs/dbraw/zinc/39/25/27/1125392527.db2.gz KVLAKLUTFCZJAL-LURJTMIESA-N -1 1 339.016 3.595 20 0 EHADMM CC(C)[C@@H](NCc1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000262714117 1125448065 /nfs/dbraw/zinc/44/80/65/1125448065.db2.gz QTUMVIAUXJGHBW-OAHLLOKOSA-N -1 1 330.409 3.755 20 0 EHADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000067899598 1129319489 /nfs/dbraw/zinc/31/94/89/1129319489.db2.gz CQUHRPMIUNJDAX-UHFFFAOYSA-N -1 1 349.477 3.596 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1ccc(Cl)cc1F ZINC000499720910 1129410403 /nfs/dbraw/zinc/41/04/03/1129410403.db2.gz TXNBERGGOUMSBT-VIFPVBQESA-N -1 1 341.782 3.583 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000466420902 1129437194 /nfs/dbraw/zinc/43/71/94/1129437194.db2.gz AGIYFLVHPSGCED-UHFFFAOYSA-N -1 1 347.480 3.974 20 0 EHADMM CCOC(=O)C(C)(C)O[N-]C(=O)C1(C2CCCCC2)CCCCC1 ZINC001627805570 1129512523 /nfs/dbraw/zinc/51/25/23/1129512523.db2.gz VUTAZAKQGIYHAS-UHFFFAOYSA-N -1 1 339.476 3.907 20 0 EHADMM Cc1cc(N2CCC[C@@H](CCC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000392590006 1129718919 /nfs/dbraw/zinc/71/89/19/1129718919.db2.gz AENORQHSUXQNIV-ZDUSSCGKSA-N -1 1 343.383 3.533 20 0 EHADMM O=S(=O)([N-][C@H]1CCCc2sccc21)c1c(F)cccc1Cl ZINC000466544571 1129889052 /nfs/dbraw/zinc/88/90/52/1129889052.db2.gz KJYNJFUKMPBIPK-LBPRGKRZSA-N -1 1 345.848 3.897 20 0 EHADMM CCOc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186912439 1129908199 /nfs/dbraw/zinc/90/81/99/1129908199.db2.gz QBAVXWRHYPGZRF-UHFFFAOYSA-N -1 1 345.420 3.651 20 0 EHADMM Cc1ncoc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000347850174 1129923673 /nfs/dbraw/zinc/92/36/73/1129923673.db2.gz PMOYHKRJCIXYJC-UHFFFAOYSA-N -1 1 338.751 3.546 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c(C)c1O ZINC000673983082 1129933662 /nfs/dbraw/zinc/93/36/62/1129933662.db2.gz VSFISHNTFVQUGN-UHFFFAOYSA-N -1 1 342.420 3.666 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1F ZINC000134047151 1129977721 /nfs/dbraw/zinc/97/77/21/1129977721.db2.gz CBKXXEBRYYTNSD-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM CC(C)Cc1nnc([N-]C(=O)c2cnc(-c3ccccn3)s2)s1 ZINC000171401294 1130053841 /nfs/dbraw/zinc/05/38/41/1130053841.db2.gz ONACTXPDDZIJJV-UHFFFAOYSA-N -1 1 345.453 3.507 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2cccc(COC)c2)c1CC ZINC000486096590 1130440689 /nfs/dbraw/zinc/44/06/89/1130440689.db2.gz PQCYXMYIXIXYQT-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1CC ZINC000486092768 1130440836 /nfs/dbraw/zinc/44/08/36/1130440836.db2.gz RDNQPOASAFWPDN-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM CCCCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000728066885 1130619456 /nfs/dbraw/zinc/61/94/56/1130619456.db2.gz YMZPOGWWWRODHW-QGZVFWFLSA-N -1 1 349.434 3.975 20 0 EHADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccc(F)cc1 ZINC000730360595 1130703466 /nfs/dbraw/zinc/70/34/66/1130703466.db2.gz YKPQNLPQHOWLOV-UHFFFAOYSA-N -1 1 343.137 3.878 20 0 EHADMM Cn1c(CNC(=O)c2cc3ccccc3cc2[O-])nc2cc(F)ccc21 ZINC000731860632 1130849463 /nfs/dbraw/zinc/84/94/63/1130849463.db2.gz RAWMAYTVSNUCKY-UHFFFAOYSA-N -1 1 349.365 3.501 20 0 EHADMM O=C(NCc1ccccc1C(F)(F)F)c1c(F)ccc([O-])c1F ZINC000348059056 1131145512 /nfs/dbraw/zinc/14/55/12/1131145512.db2.gz ZWGFRUXFOPHKLS-UHFFFAOYSA-N -1 1 331.240 3.619 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCc2[nH]c3ccccc3c2C1 ZINC000144162486 1131160227 /nfs/dbraw/zinc/16/02/27/1131160227.db2.gz XHPJBSICVVXMNY-UHFFFAOYSA-N -1 1 326.783 3.725 20 0 EHADMM O=C(N[C@H](CC1CCC1)c1ccccc1)c1cnc(C2CC2)[n-]c1=O ZINC000828198637 1131426399 /nfs/dbraw/zinc/42/63/99/1131426399.db2.gz ZSTSPRCIZBFJRI-QGZVFWFLSA-N -1 1 337.423 3.721 20 0 EHADMM Cc1nc(-c2ccc(N3Cc4ccccc4[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000742389207 1131713963 /nfs/dbraw/zinc/71/39/63/1131713963.db2.gz DIHOSZVOTYNOSG-CYBMUJFWSA-N -1 1 346.434 3.985 20 0 EHADMM COc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1Cl ZINC001212689930 1131901915 /nfs/dbraw/zinc/90/19/15/1131901915.db2.gz UGDOWIKOOCVSKX-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM COc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1Cl ZINC001212689930 1131901924 /nfs/dbraw/zinc/90/19/24/1131901924.db2.gz UGDOWIKOOCVSKX-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)Oc1ccccc1Cl ZINC000743717370 1131969477 /nfs/dbraw/zinc/96/94/77/1131969477.db2.gz BVWAABRKGAIETP-SNVBAGLBSA-N -1 1 340.206 3.896 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(Cl)cc2F)c1 ZINC000744527993 1132117304 /nfs/dbraw/zinc/11/73/04/1132117304.db2.gz BYWGMRUJNOXFHY-UHFFFAOYSA-N -1 1 336.746 3.787 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(C)cc(C)cc2C)c1 ZINC000744559171 1132122145 /nfs/dbraw/zinc/12/21/45/1132122145.db2.gz UMKIMFGEIGQQDE-UHFFFAOYSA-N -1 1 326.392 3.920 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)c2ccccc2F)c1 ZINC000744915254 1132168075 /nfs/dbraw/zinc/16/80/75/1132168075.db2.gz LRWTXIWVMQTOAB-UHFFFAOYSA-N -1 1 344.382 3.797 20 0 EHADMM NC(=O)c1ccccc1Nc1c(Cl)ccc(Br)c1[O-] ZINC001173982208 1132193607 /nfs/dbraw/zinc/19/36/07/1132193607.db2.gz AOAYWHUWCINJDW-UHFFFAOYSA-N -1 1 341.592 3.651 20 0 EHADMM CS(=O)(=O)c1cccc(Nc2ccc(Cl)c(Cl)c2[O-])c1 ZINC001174028872 1132219849 /nfs/dbraw/zinc/21/98/49/1132219849.db2.gz PIXVJDJFRBTIFV-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM Cc1cc(C)c(C(=O)COC(=O)c2c([O-])cc(F)cc2F)cc1C ZINC000745522854 1132260732 /nfs/dbraw/zinc/26/07/32/1132260732.db2.gz RAJKYGPCGLMNKQ-UHFFFAOYSA-N -1 1 334.318 3.635 20 0 EHADMM CCO[C@H](C)n1cc(Nc2ccc(F)c(Br)c2[O-])cn1 ZINC001174702403 1132445857 /nfs/dbraw/zinc/44/58/57/1132445857.db2.gz OZGIFUHAMMWMCN-MRVPVSSYSA-N -1 1 344.184 3.789 20 0 EHADMM CCOc1cc(C(=O)NCc2ccc(C)c(F)c2)cc(Cl)c1[O-] ZINC000193863569 1132484683 /nfs/dbraw/zinc/48/46/83/1132484683.db2.gz HFFUBGXHCJVTEG-UHFFFAOYSA-N -1 1 337.778 3.822 20 0 EHADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc3sccc3c2)no1 ZINC001212768288 1132585613 /nfs/dbraw/zinc/58/56/13/1132585613.db2.gz YFTJMPDLGWCOJZ-UHFFFAOYSA-N -1 1 340.364 3.518 20 0 EHADMM O=C(C/C=C\Cc1ccccc1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168922650 1132606109 /nfs/dbraw/zinc/60/61/09/1132606109.db2.gz QOHKRAINZDRRSL-PLNGDYQASA-N -1 1 333.391 3.705 20 0 EHADMM Nc1ncc(Nc2ccc(Cl)c(Cl)c2[O-])c(C(F)(F)F)n1 ZINC001175680876 1132737331 /nfs/dbraw/zinc/73/73/31/1132737331.db2.gz MKBKRSHQQUEFRM-UHFFFAOYSA-N -1 1 339.104 3.834 20 0 EHADMM O=c1[n-]cnc(Nc2ccc(F)c3ccccc23)c1Br ZINC001175955058 1132812584 /nfs/dbraw/zinc/81/25/84/1132812584.db2.gz DIOVIGYERCBYBZ-UHFFFAOYSA-N -1 1 334.148 3.981 20 0 EHADMM Cc1csc(CCC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001176182706 1132859291 /nfs/dbraw/zinc/85/92/91/1132859291.db2.gz KCMQFKYXXUOMGM-UHFFFAOYSA-N -1 1 327.409 3.519 20 0 EHADMM O=C(COC(=O)c1ccc([O-])cc1F)c1ccc(Cl)c(Cl)c1 ZINC000773567747 1132906160 /nfs/dbraw/zinc/90/61/60/1132906160.db2.gz XBJYLTIEWXTVOF-UHFFFAOYSA-N -1 1 343.137 3.878 20 0 EHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1nc(-c2cccs2)no1 ZINC000773568234 1132913676 /nfs/dbraw/zinc/91/36/76/1132913676.db2.gz FIQQHTHZAJNYRL-MRVPVSSYSA-N -1 1 334.328 3.561 20 0 EHADMM O=C(OCc1ccccc1Br)c1ccc([O-])cc1F ZINC000773570686 1132921808 /nfs/dbraw/zinc/92/18/08/1132921808.db2.gz TXNTXKJVQNGGNY-UHFFFAOYSA-N -1 1 325.133 3.651 20 0 EHADMM O=C1Cc2cc(Nc3ccc(F)c(Br)c3[O-])ccc2N1 ZINC001176432272 1132928296 /nfs/dbraw/zinc/92/82/96/1132928296.db2.gz GTLYMTBLUHCASY-UHFFFAOYSA-N -1 1 337.148 3.532 20 0 EHADMM [O-]c1cc(Nc2cc(F)cc(N3CCOCC3)c2)c(F)cc1Cl ZINC001176501272 1132950162 /nfs/dbraw/zinc/95/01/62/1132950162.db2.gz SVLCJSIMGJKDHA-UHFFFAOYSA-N -1 1 340.757 3.904 20 0 EHADMM Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773583725 1132975572 /nfs/dbraw/zinc/97/55/72/1132975572.db2.gz PXXZKUUDGBUZMY-UHFFFAOYSA-N -1 1 345.370 3.759 20 0 EHADMM COC(=O)C1(c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2)CC1 ZINC001176670985 1132978431 /nfs/dbraw/zinc/97/84/31/1132978431.db2.gz PGICGJWEPWKBMQ-UHFFFAOYSA-N -1 1 337.297 3.758 20 0 EHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(Cc2ccccn2)n1 ZINC001176664322 1132978534 /nfs/dbraw/zinc/97/85/34/1132978534.db2.gz UOWRWJUISLTHHJ-UHFFFAOYSA-N -1 1 334.301 3.501 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccnc(F)c2Br)c1F ZINC001176663447 1132978733 /nfs/dbraw/zinc/97/87/33/1132978733.db2.gz KNWCWXIYZSXXOB-UHFFFAOYSA-N -1 1 337.070 3.850 20 0 EHADMM COc1ccccc1CC(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176988910 1133017392 /nfs/dbraw/zinc/01/73/92/1133017392.db2.gz UOGIFMBXQSOYTQ-UHFFFAOYSA-N -1 1 347.842 3.939 20 0 EHADMM COc1cccc2cc(C(=O)NCc3ccc([O-])c(Cl)c3)oc21 ZINC001176987733 1133018548 /nfs/dbraw/zinc/01/85/48/1133018548.db2.gz DGRKFKKVSZYWSQ-UHFFFAOYSA-N -1 1 331.755 3.730 20 0 EHADMM O=C(CCCc1cc(F)ccc1F)NCc1ccc([O-])c(Cl)c1 ZINC001176993619 1133019292 /nfs/dbraw/zinc/01/92/92/1133019292.db2.gz GWRYYWQPMMXMTD-UHFFFAOYSA-N -1 1 339.769 3.963 20 0 EHADMM Cc1ccnc2ccc(C(=O)NCc3ccc([O-])c(Cl)c3)cc12 ZINC001176993652 1133019858 /nfs/dbraw/zinc/01/98/58/1133019858.db2.gz IHNQIKPCHRAUMX-UHFFFAOYSA-N -1 1 326.783 3.832 20 0 EHADMM O=C(NCc1nccc2c1CCCC2)c1ccc2ccccc2c1[O-] ZINC001177745165 1133098210 /nfs/dbraw/zinc/09/82/10/1133098210.db2.gz LSWURDQJUDQRKW-UHFFFAOYSA-N -1 1 332.403 3.749 20 0 EHADMM CC[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1cccc(Cl)c1 ZINC000773771474 1133197956 /nfs/dbraw/zinc/19/79/56/1133197956.db2.gz JESIBMVQFGGXBI-CYBMUJFWSA-N -1 1 346.843 3.553 20 0 EHADMM CC1(C)CCC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000150000134 1133238861 /nfs/dbraw/zinc/23/88/61/1133238861.db2.gz FNSMXDNASBACKN-LLVKDONJSA-N -1 1 326.234 3.853 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cnn(Cc2ccccc2)c1 ZINC001179655509 1133267705 /nfs/dbraw/zinc/26/77/05/1133267705.db2.gz HAWSBCVGPWBPNR-UHFFFAOYSA-N -1 1 345.761 3.682 20 0 EHADMM COc1ccc([C@@H](NC(=O)c2cccc([O-])c2F)C2CCC2)cc1 ZINC001179762884 1133281350 /nfs/dbraw/zinc/28/13/50/1133281350.db2.gz RMEJYOGUHDFXFP-SFHVURJKSA-N -1 1 329.371 3.811 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000769893895 1133356180 /nfs/dbraw/zinc/35/61/80/1133356180.db2.gz BDZOTDNHSOMHDL-GFCCVEGCSA-N -1 1 347.802 3.673 20 0 EHADMM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1c([O-])cccc1Cl ZINC000770010925 1133370528 /nfs/dbraw/zinc/37/05/28/1133370528.db2.gz LOXBKOXUVCFJDZ-SNVBAGLBSA-N -1 1 335.762 3.576 20 0 EHADMM O=C(CCn1ccc2ccccc21)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001180664096 1133404512 /nfs/dbraw/zinc/40/45/12/1133404512.db2.gz AIHGJMGUCPSGLY-UHFFFAOYSA-N -1 1 346.390 3.561 20 0 EHADMM [O-]c1ccc(CNCc2c(F)cccc2N2CCCC2)c(F)c1F ZINC001181707635 1133514252 /nfs/dbraw/zinc/51/42/52/1133514252.db2.gz MZEMBUWVVBOSAM-UHFFFAOYSA-N -1 1 336.357 3.700 20 0 EHADMM O=C(Cc1n[nH]c2ccccc21)Nc1c(Cl)ccc([O-])c1Cl ZINC001182059927 1133570166 /nfs/dbraw/zinc/57/01/66/1133570166.db2.gz FKDZUJHHCJELNF-UHFFFAOYSA-N -1 1 336.178 3.757 20 0 EHADMM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1Cl)c1ccsc1 ZINC001185350957 1134070644 /nfs/dbraw/zinc/07/06/44/1134070644.db2.gz NSABNJNSMUOFHX-UHFFFAOYSA-N -1 1 342.751 3.616 20 0 EHADMM O=S(=O)([N-]c1c(F)cccc1C(F)(F)F)c1ccsc1 ZINC001185341148 1134074122 /nfs/dbraw/zinc/07/41/22/1134074122.db2.gz YZFLGAJREBNLKR-UHFFFAOYSA-N -1 1 325.308 3.707 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccsc2)c(C)c1Br ZINC001185392119 1134078526 /nfs/dbraw/zinc/07/85/26/1134078526.db2.gz KNGAHBKHBZIQJF-UHFFFAOYSA-N -1 1 346.271 3.928 20 0 EHADMM O=S(=O)([N-]c1ccnc(Cl)c1F)c1cc2ccccc2s1 ZINC001185425261 1134082646 /nfs/dbraw/zinc/08/26/46/1134082646.db2.gz KXTHSBSMLGUHLP-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM CC(C)(C)O[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000788159557 1134090403 /nfs/dbraw/zinc/09/04/03/1134090403.db2.gz ZRWRVEGUHHWZGD-CQSZACIVSA-N -1 1 334.803 3.936 20 0 EHADMM O=C(NCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001185480351 1134096288 /nfs/dbraw/zinc/09/62/88/1134096288.db2.gz XXMZKVFJYRJMEF-UHFFFAOYSA-N -1 1 328.265 3.872 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc3c(=O)[nH]ccc23)ccc1Cl ZINC001185524871 1134102865 /nfs/dbraw/zinc/10/28/65/1134102865.db2.gz OQBXGXDPFGSNAQ-UHFFFAOYSA-N -1 1 348.811 3.703 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1 ZINC001185530102 1134103762 /nfs/dbraw/zinc/10/37/62/1134103762.db2.gz SNAPCSNGWPHWDX-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM O=C(NCCc1ccccc1OC(F)F)c1c([O-])cccc1Cl ZINC000788537016 1134139049 /nfs/dbraw/zinc/13/90/49/1134139049.db2.gz HEUJKGCJSYSMRD-UHFFFAOYSA-N -1 1 341.741 3.620 20 0 EHADMM CN(C)c1cccc(CC(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001186072949 1134164302 /nfs/dbraw/zinc/16/43/02/1134164302.db2.gz GQMZQQKYRVLTLT-UHFFFAOYSA-N -1 1 338.329 3.658 20 0 EHADMM O=C(NCCc1cc(C(F)(F)F)ccc1F)c1ccc([O-])cc1F ZINC001186339305 1134204393 /nfs/dbraw/zinc/20/43/93/1134204393.db2.gz CCKRAQMKAWHKCG-UHFFFAOYSA-N -1 1 345.267 3.662 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1O ZINC001187062158 1134291251 /nfs/dbraw/zinc/29/12/51/1134291251.db2.gz NXUSHIFRNNPZJE-UHFFFAOYSA-N -1 1 346.235 3.949 20 0 EHADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001187130897 1134301318 /nfs/dbraw/zinc/30/13/18/1134301318.db2.gz WAPFQDNFTANUHE-YUMQZZPRSA-N -1 1 328.236 3.845 20 0 EHADMM COc1ccc(S[C@@H](C)C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000789930490 1134345221 /nfs/dbraw/zinc/34/52/21/1134345221.db2.gz RUTMIGWMHWDORE-VIFPVBQESA-N -1 1 338.816 3.569 20 0 EHADMM COc1ccccc1C/C(C)=C\C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047550 1134364816 /nfs/dbraw/zinc/36/48/16/1134364816.db2.gz JERWISMPCXVJCK-KHPPLWFESA-N -1 1 332.787 3.577 20 0 EHADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cn(C)c2ccccc12 ZINC000790049326 1134365285 /nfs/dbraw/zinc/36/52/85/1134365285.db2.gz YCYUJFMLKKXFNX-SNVBAGLBSA-N -1 1 329.787 3.675 20 0 EHADMM Cc1ccc(C(=O)CCCC(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000790052562 1134365996 /nfs/dbraw/zinc/36/59/96/1134365996.db2.gz YTHFAJKKOPPSPZ-UHFFFAOYSA-N -1 1 332.787 3.741 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1OC1CCCCC1)C1CCC1 ZINC001188143895 1134433674 /nfs/dbraw/zinc/43/36/74/1134433674.db2.gz FNFPKIRGHPTLNX-UHFFFAOYSA-N -1 1 327.421 3.831 20 0 EHADMM O=S(=O)([N-]c1cc(F)ccc1OC1CCCCC1)C1CCC1 ZINC001188145306 1134434034 /nfs/dbraw/zinc/43/40/34/1134434034.db2.gz WFOXAJJVVPRWEU-UHFFFAOYSA-N -1 1 327.421 3.831 20 0 EHADMM O=C(Nc1c(Cl)ccc2ncccc21)c1ncc(C(F)(F)F)[n-]1 ZINC001188288331 1134444801 /nfs/dbraw/zinc/44/48/01/1134444801.db2.gz SWSSGOLALRLCSY-UHFFFAOYSA-N -1 1 340.692 3.882 20 0 EHADMM O=C(Nc1c(Cl)ccc2ncccc21)c1nc(C(F)(F)F)c[n-]1 ZINC001188288331 1134444804 /nfs/dbraw/zinc/44/48/04/1134444804.db2.gz SWSSGOLALRLCSY-UHFFFAOYSA-N -1 1 340.692 3.882 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2cccc(C(F)F)c2)c1 ZINC000790710030 1134456026 /nfs/dbraw/zinc/45/60/26/1134456026.db2.gz ASGWURDUFGIJIF-UHFFFAOYSA-N -1 1 348.345 3.861 20 0 EHADMM O=S(=O)([N-]c1c(Cl)ccc2nc(Cl)ccc21)c1ccoc1 ZINC001188607825 1134481511 /nfs/dbraw/zinc/48/15/11/1134481511.db2.gz MGFZPEPJYKDKMS-UHFFFAOYSA-N -1 1 343.191 3.935 20 0 EHADMM O=C(Nc1cccc2cnncc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587360 1134485842 /nfs/dbraw/zinc/48/58/42/1134485842.db2.gz TXHKEVAEXDTDGF-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM Cc1cnc(SCC(=O)Nc2c(Cl)cccc2Cl)[n-]c1=O ZINC001189399166 1134582575 /nfs/dbraw/zinc/58/25/75/1134582575.db2.gz FAUUMDKSKBFGCM-UHFFFAOYSA-N -1 1 344.223 3.528 20 0 EHADMM C[C@@H](SCC(=O)Nc1cccc(F)c1[O-])c1nc2ccccc2[nH]1 ZINC001151773076 1134599505 /nfs/dbraw/zinc/59/95/05/1134599505.db2.gz XVPSZQXWLMOOLB-SNVBAGLBSA-N -1 1 345.399 3.841 20 0 EHADMM Cc1ccc2sc(SCC(=O)c3ccc([O-])cc3O)nc2c1 ZINC001190128772 1134663368 /nfs/dbraw/zinc/66/33/68/1134663368.db2.gz JWVNWOLZDCTNHG-UHFFFAOYSA-N -1 1 331.418 3.991 20 0 EHADMM CCCC1CCN(C(=O)c2cnc(-c3ccccc3)[n-]c2=O)CC1 ZINC001190261465 1134674422 /nfs/dbraw/zinc/67/44/22/1134674422.db2.gz DPDBQLFYXLSDAS-UHFFFAOYSA-N -1 1 325.412 3.502 20 0 EHADMM CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190499443 1134706513 /nfs/dbraw/zinc/70/65/13/1134706513.db2.gz GDXLFNMDKUYSHX-UHFFFAOYSA-N -1 1 329.421 3.876 20 0 EHADMM O=S(=O)([N-]c1cccc(Cl)c1CO)c1ccc(C2CC2)cc1 ZINC001190506154 1134707982 /nfs/dbraw/zinc/70/79/82/1134707982.db2.gz IROVCKRQFMGXQA-UHFFFAOYSA-N -1 1 337.828 3.511 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C(C)=O)c1 ZINC001190511679 1134708917 /nfs/dbraw/zinc/70/89/17/1134708917.db2.gz KMPSDRHMOJXLHM-UHFFFAOYSA-N -1 1 345.420 3.576 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc(F)c1F ZINC001190512804 1134709183 /nfs/dbraw/zinc/70/91/83/1134709183.db2.gz SFMHTMADLSIMNC-UHFFFAOYSA-N -1 1 339.363 3.652 20 0 EHADMM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191480858 1134871474 /nfs/dbraw/zinc/87/14/74/1134871474.db2.gz JGBOMKPWHZHHKF-UHFFFAOYSA-N -1 1 325.474 3.925 20 0 EHADMM C[C@@H](O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001192361509 1135006156 /nfs/dbraw/zinc/00/61/56/1135006156.db2.gz KREOBVDBOJQQPW-SECBINFHSA-N -1 1 325.286 3.717 20 0 EHADMM CCN(C(=O)c1c(F)ccc([O-])c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001192524062 1135026706 /nfs/dbraw/zinc/02/67/06/1135026706.db2.gz JVNCTAOWNQXTOJ-LBPRGKRZSA-N -1 1 349.377 3.772 20 0 EHADMM COc1ccc([C@H](NC(=O)c2c(F)ccc([O-])c2F)C2CC2)cc1 ZINC001192552452 1135028463 /nfs/dbraw/zinc/02/84/63/1135028463.db2.gz OWCKUEKWJKKHCU-QGZVFWFLSA-N -1 1 333.334 3.560 20 0 EHADMM O=C(Nc1ccccc1-c1ccncc1)c1cc([O-])cc(F)c1F ZINC001192670896 1135043471 /nfs/dbraw/zinc/04/34/71/1135043471.db2.gz PBTOPFUONYJKRV-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM O=C(Nc1cc(F)cc(Br)c1)c1cc([O-])cc(F)c1F ZINC001192665609 1135047249 /nfs/dbraw/zinc/04/72/49/1135047249.db2.gz QBIOACWCHQCSOG-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2F)c2ccccc12 ZINC001193833305 1135190915 /nfs/dbraw/zinc/19/09/15/1135190915.db2.gz MSUXCSNZPSDWBI-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2c(O)cc(F)cc2F)c2ccccc12 ZINC001193857590 1135196514 /nfs/dbraw/zinc/19/65/14/1135196514.db2.gz NDABCLOKLXEBNG-UHFFFAOYSA-N -1 1 349.358 3.933 20 0 EHADMM CCCCCC[C@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586887 1135289119 /nfs/dbraw/zinc/28/91/19/1135289119.db2.gz SXYHTGQLKDTYNE-NSHDSACASA-N -1 1 338.395 3.738 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2ccc(O)cc2c1 ZINC001194633640 1135294317 /nfs/dbraw/zinc/29/43/17/1135294317.db2.gz CGLRMNOTNKWYRF-UHFFFAOYSA-N -1 1 327.405 3.963 20 0 EHADMM Cc1cc2c([N-]S(=O)(=O)c3cccc(C(C)C)c3)cccc2nn1 ZINC001195156305 1135383251 /nfs/dbraw/zinc/38/32/51/1135383251.db2.gz HXYCMXVZBJMNBC-UHFFFAOYSA-N -1 1 341.436 3.862 20 0 EHADMM CCN(C(=O)c1cc([O-])cnc1Cl)[C@@H](C)Cc1ccc(OC)cc1 ZINC001195297473 1135409123 /nfs/dbraw/zinc/40/91/23/1135409123.db2.gz BXDSWWIYIOSCDU-LBPRGKRZSA-N -1 1 348.830 3.543 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cnc(Oc2ccccc2)cc1C ZINC001195458398 1135426397 /nfs/dbraw/zinc/42/63/97/1135426397.db2.gz TZYVEMCAHOAJKU-UHFFFAOYSA-N -1 1 331.397 3.625 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1 ZINC000808126723 1135615669 /nfs/dbraw/zinc/61/56/69/1135615669.db2.gz DMSMDOWXTFBWBN-LBPRGKRZSA-N -1 1 345.420 3.671 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(C(F)F)CCCC2)c1 ZINC000808648516 1135704667 /nfs/dbraw/zinc/70/46/67/1135704667.db2.gz ZZMIHJCUITXYGZ-UHFFFAOYSA-N -1 1 326.339 3.506 20 0 EHADMM COc1cc(F)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197672188 1135719493 /nfs/dbraw/zinc/71/94/93/1135719493.db2.gz BRECRBUOSIHLAT-UHFFFAOYSA-N -1 1 347.770 3.569 20 0 EHADMM Cc1cccc(NC(=S)Nc2nc(Br)ccc2[O-])c1 ZINC001198654472 1135843513 /nfs/dbraw/zinc/84/35/13/1135843513.db2.gz XSSQDBMNHQOOCO-UHFFFAOYSA-N -1 1 338.230 3.667 20 0 EHADMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000776012062 1135919812 /nfs/dbraw/zinc/91/98/12/1135919812.db2.gz XNGQCQIVTPQRCL-QFYYESIMSA-N -1 1 337.778 3.691 20 0 EHADMM CCc1ccccc1NC(=S)Nc1cc2ccc([O-])cc2oc1=O ZINC001201140105 1135987699 /nfs/dbraw/zinc/98/76/99/1135987699.db2.gz FWWVVMOLZAJQAF-UHFFFAOYSA-N -1 1 340.404 3.870 20 0 EHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1nc2cc(Cl)ccc2[nH]1 ZINC000776143702 1135998353 /nfs/dbraw/zinc/99/83/53/1135998353.db2.gz JLCVENSVHPONEQ-QMMMGPOBSA-N -1 1 333.750 3.552 20 0 EHADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000811835909 1136143052 /nfs/dbraw/zinc/14/30/52/1136143052.db2.gz UHLAFTBOCIWDTP-UHFFFAOYSA-N -1 1 336.844 3.723 20 0 EHADMM O=C(COC(=O)c1ccc([O-])cc1F)c1ccc(C(F)(F)F)cc1 ZINC000812591494 1136224891 /nfs/dbraw/zinc/22/48/91/1136224891.db2.gz HJHRFZVJKAYDGE-UHFFFAOYSA-N -1 1 342.244 3.590 20 0 EHADMM CCCCCC[C@H](C)CC(=O)Nc1[n-]c(C(=O)OC)cc1C(C)=O ZINC001133459330 1136255020 /nfs/dbraw/zinc/25/50/20/1136255020.db2.gz JOEIPMZAVJIEPK-LBPRGKRZSA-N -1 1 336.432 3.939 20 0 EHADMM C[C@@H]1CC[C@@](C)(/C=C/C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1(C)C ZINC001133907018 1136359027 /nfs/dbraw/zinc/35/90/27/1136359027.db2.gz KHQLRMXYXRNWMI-MCDCIXHOSA-N -1 1 330.354 3.781 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(F)ccc1Cl ZINC000814511267 1136464533 /nfs/dbraw/zinc/46/45/33/1136464533.db2.gz PBACNFTWRKKFSO-UHFFFAOYSA-N -1 1 348.713 3.648 20 0 EHADMM COCN1C(=O)CCc2cc(NCc3cccc([O-])c3Cl)ccc21 ZINC000815140077 1136560933 /nfs/dbraw/zinc/56/09/33/1136560933.db2.gz TVDOGOYKBKFHOW-UHFFFAOYSA-N -1 1 346.814 3.541 20 0 EHADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1OC(F)F ZINC000111666625 1136569954 /nfs/dbraw/zinc/56/99/54/1136569954.db2.gz INWUQTLUEPOANE-UHFFFAOYSA-N -1 1 343.713 3.908 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000111666855 1136570200 /nfs/dbraw/zinc/57/02/00/1136570200.db2.gz SIOYJYDYLDMLLH-UHFFFAOYSA-N -1 1 340.162 3.723 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cnc([C@H]2CCCO2)s1 ZINC000885676005 1136604476 /nfs/dbraw/zinc/60/44/76/1136604476.db2.gz GSTQUCJUSZSVMS-LLVKDONJSA-N -1 1 342.779 3.745 20 0 EHADMM CO[C@@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)C1CCC1 ZINC000854432619 1136616375 /nfs/dbraw/zinc/61/63/75/1136616375.db2.gz RJEYPHCPDLYGEW-GFCCVEGCSA-N -1 1 348.624 3.562 20 0 EHADMM Cc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)cc1Cl ZINC001135507819 1136698677 /nfs/dbraw/zinc/69/86/77/1136698677.db2.gz MIXTVSBSHQSWDG-UHFFFAOYSA-N -1 1 335.791 3.579 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000855600253 1136712375 /nfs/dbraw/zinc/71/23/75/1136712375.db2.gz INDOCTRVVAWCAZ-MRXNPFEDSA-N -1 1 347.798 3.633 20 0 EHADMM CNC(=O)Oc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000817023440 1136771183 /nfs/dbraw/zinc/77/11/83/1136771183.db2.gz XRUNLQIACPVWDF-UHFFFAOYSA-N -1 1 336.347 3.516 20 0 EHADMM CSc1ccc2cc(CN(C)C[C@@H](C)C(=O)[O-])c(Cl)nc2c1 ZINC000817873911 1136842824 /nfs/dbraw/zinc/84/28/24/1136842824.db2.gz SWCJDIQNGSAUTL-SNVBAGLBSA-N -1 1 338.860 3.763 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCc2ccccc2C1 ZINC001136190311 1136916422 /nfs/dbraw/zinc/91/64/22/1136916422.db2.gz AEUMMKKAYHXLOB-MRXNPFEDSA-N -1 1 333.391 3.526 20 0 EHADMM C[C@H](c1ccccc1Cl)N(C(=O)C(=O)c1ccc([O-])cc1)C1CC1 ZINC001136369996 1137003131 /nfs/dbraw/zinc/00/31/31/1137003131.db2.gz IUHIVNVGJBMAQT-GFCCVEGCSA-N -1 1 343.810 3.981 20 0 EHADMM COc1cnc(C=Cc2csc(-c3ccc(F)cc3)n2)[n-]c1=O ZINC000821008652 1137015653 /nfs/dbraw/zinc/01/56/53/1137015653.db2.gz RSISSQZVXYWVAL-SREVYHEPSA-N -1 1 329.356 3.624 20 0 EHADMM CC(C)CCc1ccccc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001136447615 1137028043 /nfs/dbraw/zinc/02/80/43/1137028043.db2.gz BOXRTWGFEDBQCB-UHFFFAOYSA-N -1 1 340.452 3.859 20 0 EHADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000859810834 1137031687 /nfs/dbraw/zinc/03/16/87/1137031687.db2.gz VGLUHNSEHOWGCA-SFHVURJKSA-N -1 1 333.334 3.617 20 0 EHADMM C[C@@H]1CC(C)(C)CN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000822738405 1137072358 /nfs/dbraw/zinc/07/23/58/1137072358.db2.gz MXJXKXVRXRNTNV-GFCCVEGCSA-N -1 1 327.380 3.725 20 0 EHADMM Cc1ncsc1CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011678 1137159988 /nfs/dbraw/zinc/15/99/88/1137159988.db2.gz SDXPNVKFXDJXNN-UHFFFAOYSA-N -1 1 343.374 3.551 20 0 EHADMM CC[C@H]1C[C@@H](Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CCO1 ZINC000825011595 1137160214 /nfs/dbraw/zinc/16/02/14/1137160214.db2.gz PLWLZPNVUFBLQW-ZFWWWQNUSA-N -1 1 344.377 3.543 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)Cc2ccoc2)c1 ZINC000825011272 1137160267 /nfs/dbraw/zinc/16/02/67/1137160267.db2.gz DSPNISVWERLDPP-GFCCVEGCSA-N -1 1 340.345 3.810 20 0 EHADMM C[C@@]1(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1(Cl)Cl ZINC000825450283 1137178118 /nfs/dbraw/zinc/17/81/18/1137178118.db2.gz VTGHPYIDVQJWHG-CQSZACIVSA-N -1 1 340.210 3.695 20 0 EHADMM CC(C)OC[C@H](NCc1ccc(-c2ccccc2F)s1)C(=O)[O-] ZINC000864516506 1137231539 /nfs/dbraw/zinc/23/15/39/1137231539.db2.gz JANPAMJVJDPBNO-HNNXBMFYSA-N -1 1 337.416 3.522 20 0 EHADMM O=C(C=C1CCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000120366749 1137262149 /nfs/dbraw/zinc/26/21/49/1137262149.db2.gz CKKJTDSWVAHRSZ-UHFFFAOYSA-N -1 1 342.420 3.536 20 0 EHADMM CCCCC[C@H](C)NC(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373138 1137278258 /nfs/dbraw/zinc/27/82/58/1137278258.db2.gz HKXNCAJEDMPXPS-NSHDSACASA-N -1 1 337.489 3.545 20 0 EHADMM [O-]c1cc(F)c(CN2CCc3c([nH]nc3C(F)(F)F)C2)c(F)c1 ZINC001144562053 1137310171 /nfs/dbraw/zinc/31/01/71/1137310171.db2.gz WRDLUOMATGYTJW-CYBMUJFWSA-N -1 1 333.260 3.527 20 0 EHADMM CC(C)c1noc([C@@H]2CCCN(Cc3cc(F)c([O-])cc3F)C2)n1 ZINC001144658454 1137327035 /nfs/dbraw/zinc/32/70/35/1137327035.db2.gz WYPHIGKTFRHRJQ-LLVKDONJSA-N -1 1 337.370 3.556 20 0 EHADMM Cc1ccc([C@]2(C)CN(Cc3sccc3C(=O)[O-])CCO2)cc1 ZINC001144677650 1137327939 /nfs/dbraw/zinc/32/79/39/1137327939.db2.gz YGCUWOIQGHXLNF-SFHVURJKSA-N -1 1 331.437 3.502 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000846281039 1137345018 /nfs/dbraw/zinc/34/50/18/1137345018.db2.gz JNTQGVKWYVBOJS-CQSZACIVSA-N -1 1 330.453 3.887 20 0 EHADMM CC(C)(C)c1ccccc1OCCNC(=O)c1c([O-])cccc1F ZINC001144940727 1137366140 /nfs/dbraw/zinc/36/61/40/1137366140.db2.gz DTXKUTQJSSWNQA-UHFFFAOYSA-N -1 1 331.387 3.638 20 0 EHADMM COc1cccnc1CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148252441 1137420738 /nfs/dbraw/zinc/42/07/38/1137420738.db2.gz IEVFFFCQMYVJGF-UHFFFAOYSA-N -1 1 342.782 3.784 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C)CCCC(C)C)cc2)[n-]1 ZINC001148337174 1137422696 /nfs/dbraw/zinc/42/26/96/1137422696.db2.gz WNGHRMRMLVIIDX-AWEZNQCLSA-N -1 1 329.444 3.744 20 0 EHADMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC001148371368 1137423340 /nfs/dbraw/zinc/42/33/40/1137423340.db2.gz MXXXYGIYWOPBSI-DOTOQJQBSA-N -1 1 346.224 3.615 20 0 EHADMM O=C(Nc1ccc(C(F)F)cn1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148795315 1137435060 /nfs/dbraw/zinc/43/50/60/1137435060.db2.gz ZGPMHNNJBQQYBK-UHFFFAOYSA-N -1 1 332.228 3.996 20 0 EHADMM O=C(NCc1[nH]nc2ccccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811797 1137435487 /nfs/dbraw/zinc/43/54/87/1137435487.db2.gz KYRVDQDZPMJWLX-UHFFFAOYSA-N -1 1 336.178 3.505 20 0 EHADMM O=C(NC1(c2ccccn2)CC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148873503 1137435950 /nfs/dbraw/zinc/43/59/50/1137435950.db2.gz WPVMILPKUPFXJG-UHFFFAOYSA-N -1 1 330.387 3.873 20 0 EHADMM O=C(Nc1noc2cnccc21)c1cccc(-c2ccccc2)c1[O-] ZINC001148861740 1137436460 /nfs/dbraw/zinc/43/64/60/1137436460.db2.gz VWJBNZHVGHIDGP-UHFFFAOYSA-N -1 1 331.331 3.848 20 0 EHADMM CC(C)Oc1ccnc(COC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC000869735749 1137464854 /nfs/dbraw/zinc/46/48/54/1137464854.db2.gz YTCZVZRBEJPZOM-UHFFFAOYSA-N -1 1 335.787 3.514 20 0 EHADMM Cc1nn(C(C)C)cc1CN[C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000871883045 1137562385 /nfs/dbraw/zinc/56/23/85/1137562385.db2.gz AKSAZXHSCNKVGJ-INIZCTEOSA-N -1 1 335.835 3.731 20 0 EHADMM CCc1c(=O)n(-c2cc(Cl)nc(C)n2)[n-]c1-c1cccc(C)c1 ZINC000871955846 1137563697 /nfs/dbraw/zinc/56/36/97/1137563697.db2.gz FRACOJZNMYCKID-CYBMUJFWSA-N -1 1 328.803 3.524 20 0 EHADMM Cc1nc(Cl)cc(-n2[n-]c(Cc3ccccc3)c(C(C)C)c2=O)n1 ZINC000871956419 1137563703 /nfs/dbraw/zinc/56/37/03/1137563703.db2.gz RLNWDYIGQSXYDE-QGZVFWFLSA-N -1 1 342.830 3.656 20 0 EHADMM Cc1[n-]n(-c2cc(C(F)(F)F)ccc2Br)c(=O)c1F ZINC000871956152 1137563755 /nfs/dbraw/zinc/56/37/55/1137563755.db2.gz ZTMBCKLJIBPYEG-VIFPVBQESA-N -1 1 339.086 3.529 20 0 EHADMM Cc1ccc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1C(=O)[O-] ZINC000872156501 1137574343 /nfs/dbraw/zinc/57/43/43/1137574343.db2.gz AHHNHOSXTYQEBG-KXBFYZLASA-N -1 1 325.408 3.655 20 0 EHADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000874476880 1137614972 /nfs/dbraw/zinc/61/49/72/1137614972.db2.gz KCXYKPDMUKSQCN-GFCCVEGCSA-N -1 1 341.251 3.826 20 0 EHADMM CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000825873838 1137650322 /nfs/dbraw/zinc/65/03/22/1137650322.db2.gz PMUQBTIEIVCVCO-LLVKDONJSA-N -1 1 340.395 3.505 20 0 EHADMM COc1cc(NC(=O)c2ccc(F)c([O-])c2)ccc1Br ZINC001137123153 1137683805 /nfs/dbraw/zinc/68/38/05/1137683805.db2.gz GSBYDXQDONTZBV-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM Cc1ccc(Cl)c2ccc(NC([O-])=NO[C@@H]3CCCCO3)nc12 ZINC000879120057 1137738687 /nfs/dbraw/zinc/73/86/87/1137738687.db2.gz WVEJZPOVSRMYSS-CQSZACIVSA-N -1 1 335.791 3.776 20 0 EHADMM Cc1ccc(Cl)c2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)nc12 ZINC000879120057 1137738688 /nfs/dbraw/zinc/73/86/88/1137738688.db2.gz WVEJZPOVSRMYSS-CQSZACIVSA-N -1 1 335.791 3.776 20 0 EHADMM CCCO[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000108236302 1137889053 /nfs/dbraw/zinc/88/90/53/1137889053.db2.gz JSMVLOHXUDQKRD-KRWDZBQOSA-N -1 1 327.424 3.967 20 0 EHADMM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000091080627 1138215813 /nfs/dbraw/zinc/21/58/13/1138215813.db2.gz AUHKOQFUSRODOI-KRWDZBQOSA-N -1 1 335.407 3.863 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(F)ccc1[O-])CCC2 ZINC000092605634 1138230331 /nfs/dbraw/zinc/23/03/31/1138230331.db2.gz GGCXOTXTNBLVSO-ZDUSSCGKSA-N -1 1 334.416 3.700 20 0 EHADMM CC(C)c1ccc2nc(-c3cc(Br)nn3C)[n-]c(=O)c2c1 ZINC000887317424 1138263752 /nfs/dbraw/zinc/26/37/52/1138263752.db2.gz KCXBNZYAJYASPQ-UHFFFAOYSA-N -1 1 347.216 3.622 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC2(CCCCC2)[C@@H]1C(C)C ZINC000333770421 1138330541 /nfs/dbraw/zinc/33/05/41/1138330541.db2.gz RLDPFCWVALRHKY-AWEZNQCLSA-N -1 1 349.500 3.643 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)c1 ZINC000337860033 1138683951 /nfs/dbraw/zinc/68/39/51/1138683951.db2.gz MCLFVXCAZWLMLJ-UHFFFAOYSA-N -1 1 335.450 3.720 20 0 EHADMM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1s[n-]c(=O)c1Cl ZINC000283036890 1138954614 /nfs/dbraw/zinc/95/46/14/1138954614.db2.gz LATULDVIKVLUMX-UHFFFAOYSA-N -1 1 348.815 3.898 20 0 EHADMM CC(C)[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(C(C)(C)C)cc1 ZINC000509524423 1139300707 /nfs/dbraw/zinc/30/07/07/1139300707.db2.gz FHNQNMKQFILDDN-HNNXBMFYSA-N -1 1 339.443 3.539 20 0 EHADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1 ZINC000179625078 1139769248 /nfs/dbraw/zinc/76/92/48/1139769248.db2.gz YVURINHMDXWDJH-UHFFFAOYSA-N -1 1 349.452 3.936 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000187252357 1140246499 /nfs/dbraw/zinc/24/64/99/1140246499.db2.gz HCSGUOKZZMLYBM-UHFFFAOYSA-N -1 1 346.452 3.644 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCCC[C@H]1c1ncon1 ZINC000189630951 1140356766 /nfs/dbraw/zinc/35/67/66/1140356766.db2.gz YJGIDFNUPKZOCG-INIZCTEOSA-N -1 1 337.379 3.686 20 0 EHADMM CCOc1cc(C(=O)N2CC=C(C(F)(F)F)CC2)cc(Cl)c1[O-] ZINC000273835660 1141429329 /nfs/dbraw/zinc/42/93/29/1141429329.db2.gz IFABFQSJDVVSJK-UHFFFAOYSA-N -1 1 349.736 3.779 20 0 EHADMM CSc1nc(C)c(CCc2nc([C@@H]3CCC[C@@H](C)C3)no2)c(=O)[n-]1 ZINC000274002143 1141460927 /nfs/dbraw/zinc/46/09/27/1141460927.db2.gz VBVJLDIFPYHQDI-ZYHUDNBSSA-N -1 1 348.472 3.674 20 0 EHADMM CCCOc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000339132600 1141505507 /nfs/dbraw/zinc/50/55/07/1141505507.db2.gz IDZZTNLACYWQJD-UHFFFAOYSA-N -1 1 337.379 3.823 20 0 EHADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])C1CCCCC1 ZINC000104180730 219355756 /nfs/dbraw/zinc/35/57/56/219355756.db2.gz KHZROGALEXEAJM-JTQLQIEISA-N -1 1 326.234 3.853 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cccnc1Cl ZINC000035099204 213007905 /nfs/dbraw/zinc/00/79/05/213007905.db2.gz HPXPCZXUYPKCGI-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc2c(c1)CCC2 ZINC000119771200 221397078 /nfs/dbraw/zinc/39/70/78/221397078.db2.gz XEPBTMOLQRUIMG-UHFFFAOYSA-N -1 1 340.404 3.631 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676232824 597074086 /nfs/dbraw/zinc/07/40/86/597074086.db2.gz HFUBOXNPEXYLCJ-VXGBXAGGSA-N -1 1 337.370 3.679 20 0 EHADMM C[C@H](Cc1ccccc1Cl)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736059718 598574188 /nfs/dbraw/zinc/57/41/88/598574188.db2.gz VYHCLKNEKITQMD-SECBINFHSA-N -1 1 349.225 3.612 20 0 EHADMM C[C@H](Cc1ccccc1Cl)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736059718 598574190 /nfs/dbraw/zinc/57/41/90/598574190.db2.gz VYHCLKNEKITQMD-SECBINFHSA-N -1 1 349.225 3.612 20 0 EHADMM Clc1nsc(N2CCCC3(CCCCC3)C2)c1-c1nnn[n-]1 ZINC000737584512 598682181 /nfs/dbraw/zinc/68/21/81/598682181.db2.gz RCUZNVZVRQERGU-UHFFFAOYSA-N -1 1 338.868 3.527 20 0 EHADMM Clc1nsc(N2CCCC3(CCCCC3)C2)c1-c1nn[n-]n1 ZINC000737584512 598682182 /nfs/dbraw/zinc/68/21/82/598682182.db2.gz RCUZNVZVRQERGU-UHFFFAOYSA-N -1 1 338.868 3.527 20 0 EHADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@H](C)C(C)C)n1 ZINC000737244738 598803285 /nfs/dbraw/zinc/80/32/85/598803285.db2.gz KWABHFSLFXZIBL-MRVPVSSYSA-N -1 1 331.367 3.726 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(COC2CCCC2)cc1 ZINC000823757596 599445394 /nfs/dbraw/zinc/44/53/94/599445394.db2.gz RYVJVPDVQQQQOB-UHFFFAOYSA-N -1 1 339.399 3.531 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(COC2CCCC2)cc1 ZINC000823757596 599445396 /nfs/dbraw/zinc/44/53/96/599445396.db2.gz RYVJVPDVQQQQOB-UHFFFAOYSA-N -1 1 339.399 3.531 20 0 EHADMM Cc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c(C)c1 ZINC000822238316 599482919 /nfs/dbraw/zinc/48/29/19/599482919.db2.gz BTFSPQJAADGCTN-UHFFFAOYSA-N -1 1 330.395 3.644 20 0 EHADMM Cc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c(C)c1 ZINC000822238316 599482921 /nfs/dbraw/zinc/48/29/21/599482921.db2.gz BTFSPQJAADGCTN-UHFFFAOYSA-N -1 1 330.395 3.644 20 0 EHADMM O=C([O-])c1sc2ccccc2c1CSc1nc(C2CC2)n[nH]1 ZINC000740281758 599909222 /nfs/dbraw/zinc/90/92/22/599909222.db2.gz YBQPFFCMKCAGHB-UHFFFAOYSA-N -1 1 331.422 3.887 20 0 EHADMM O=C([O-])c1sc2ccccc2c1CSc1n[nH]c(C2CC2)n1 ZINC000740281758 599909223 /nfs/dbraw/zinc/90/92/23/599909223.db2.gz YBQPFFCMKCAGHB-UHFFFAOYSA-N -1 1 331.422 3.887 20 0 EHADMM O=C([O-])c1cc(F)ccc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000740078321 600058188 /nfs/dbraw/zinc/05/81/88/600058188.db2.gz RZUXEGCDMMBQTA-UHFFFAOYSA-N -1 1 329.356 3.601 20 0 EHADMM C[C@@H](c1ccc(Br)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405364058 600296283 /nfs/dbraw/zinc/29/62/83/600296283.db2.gz RTRHIGURZATPDU-SMDDNHRTSA-N -1 1 338.245 3.697 20 0 EHADMM CCN(CCC(=O)[O-])Cn1c(C)c(C)n(C2CCCCC2)c1=S ZINC000737096883 600425790 /nfs/dbraw/zinc/42/57/90/600425790.db2.gz SORUIFHAZMTWPS-UHFFFAOYSA-N -1 1 339.505 3.895 20 0 EHADMM Cc1ccccc1-c1cnc(CN2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)o1 ZINC000547807047 600985947 /nfs/dbraw/zinc/98/59/47/600985947.db2.gz WDWCAIANBXYCCO-XIRDDKMYSA-N -1 1 340.423 3.868 20 0 EHADMM Cc1ccc(-c2cnc(CN3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000262434668 600987248 /nfs/dbraw/zinc/98/72/48/600987248.db2.gz CBDUCPFPOROGOA-IKGGRYGDSA-N -1 1 340.423 3.868 20 0 EHADMM CN(Cc1ccc(Br)s1)Cc1ccsc1C(=O)[O-] ZINC000566920287 601804351 /nfs/dbraw/zinc/80/43/51/601804351.db2.gz JODOAAAVSGEJJG-UHFFFAOYSA-N -1 1 346.271 3.902 20 0 EHADMM COc1ccc(OC)c([C@H]2CCCN2Cc2ccsc2C(=O)[O-])c1 ZINC000565101333 601805281 /nfs/dbraw/zinc/80/52/81/601805281.db2.gz GKTAKYSEMHOKTC-OAHLLOKOSA-N -1 1 347.436 3.801 20 0 EHADMM O=C([O-])CCC1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000320607367 601841379 /nfs/dbraw/zinc/84/13/79/601841379.db2.gz GBERJBRQJQJEOV-UHFFFAOYSA-N -1 1 330.453 3.887 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1cccc(OC(F)(F)F)c1 ZINC000830852706 601909416 /nfs/dbraw/zinc/90/94/16/601909416.db2.gz UVKNLEASTFUYPZ-UHFFFAOYSA-N -1 1 345.342 3.977 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)c(OC)c1 ZINC000581374918 601938284 /nfs/dbraw/zinc/93/82/84/601938284.db2.gz HQBWXUCSMLRPBJ-HNNXBMFYSA-N -1 1 347.436 3.801 20 0 EHADMM COc1cc(CN(C)Cc2ccc(C(=O)[O-])s2)ccc1SC ZINC000573126371 601947167 /nfs/dbraw/zinc/94/71/67/601947167.db2.gz QGPSFMHZLXQRKQ-UHFFFAOYSA-N -1 1 337.466 3.809 20 0 EHADMM Clc1cccc(Cl)c1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826353367 607541248 /nfs/dbraw/zinc/54/12/48/607541248.db2.gz MMCPNUJNGJNKLH-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM Clc1cccc(Cl)c1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826353367 607541250 /nfs/dbraw/zinc/54/12/50/607541250.db2.gz MMCPNUJNGJNKLH-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM Clc1ccc(SCc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000826352763 607551085 /nfs/dbraw/zinc/55/10/85/607551085.db2.gz NDVJXAHJMNYSIA-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM Clc1ccc(SCc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000826352763 607551086 /nfs/dbraw/zinc/55/10/86/607551086.db2.gz NDVJXAHJMNYSIA-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM O=C([O-])c1cccc(-c2nc(CN3CCC4(CCC4)C3)cs2)c1 ZINC000833326340 602240353 /nfs/dbraw/zinc/24/03/53/602240353.db2.gz OYVGXVIGXDTUSJ-UHFFFAOYSA-N -1 1 328.437 3.884 20 0 EHADMM O=C([O-])[C@H]1CCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000261835416 604529212 /nfs/dbraw/zinc/52/92/12/604529212.db2.gz XYDARVNMVHNNHV-LLVKDONJSA-N -1 1 341.251 3.773 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434652 605048878 /nfs/dbraw/zinc/04/88/78/605048878.db2.gz BGXOYWPXBDURBM-NEPJUHHUSA-N -1 1 335.787 3.846 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000833681049 605071006 /nfs/dbraw/zinc/07/10/06/605071006.db2.gz SJRQEVVAEZVPKC-SNVBAGLBSA-N -1 1 339.338 3.992 20 0 EHADMM C/C(=C\CN(Cc1csc(Br)c1)C1CC1)C(=O)[O-] ZINC000833381746 605086699 /nfs/dbraw/zinc/08/66/99/605086699.db2.gz DZFLTCGNOZHHRC-RUDMXATFSA-N -1 1 330.247 3.506 20 0 EHADMM COc1ccccc1[C@@H](C)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829592023 605119852 /nfs/dbraw/zinc/11/98/52/605119852.db2.gz KOORJLXSNBNZIQ-UONOGXRCSA-N -1 1 328.412 3.875 20 0 EHADMM CC(C)(NCC(=O)Nc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000833461184 605142227 /nfs/dbraw/zinc/14/22/27/605142227.db2.gz RRXDIVBYDZVYLC-UHFFFAOYSA-N -1 1 346.814 3.502 20 0 EHADMM C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000566367480 605293249 /nfs/dbraw/zinc/29/32/49/605293249.db2.gz PVHVUECFTQREEP-ZDUSSCGKSA-N -1 1 333.815 3.996 20 0 EHADMM O=C([O-])N(CC1CC1)C1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000834062364 605612579 /nfs/dbraw/zinc/61/25/79/605612579.db2.gz HYJPLVUQFBXFLF-UHFFFAOYSA-N -1 1 349.500 3.765 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Oc3ccccc3)o1)CC2 ZINC000833771710 605727235 /nfs/dbraw/zinc/72/72/35/605727235.db2.gz NNMOGJOGHNRXTB-INIZCTEOSA-N -1 1 327.380 3.759 20 0 EHADMM CC[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc2c(c1)OCCO2 ZINC000833644114 605844017 /nfs/dbraw/zinc/84/40/17/605844017.db2.gz LDSQDAOLXWRJEF-INIZCTEOSA-N -1 1 345.370 3.536 20 0 EHADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000820462123 606141853 /nfs/dbraw/zinc/14/18/53/606141853.db2.gz VDLMDQZKCHOXOR-BDAKNGLRSA-N -1 1 334.836 3.581 20 0 EHADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000820462123 606141854 /nfs/dbraw/zinc/14/18/54/606141854.db2.gz VDLMDQZKCHOXOR-BDAKNGLRSA-N -1 1 334.836 3.581 20 0 EHADMM CCC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000821022786 606212809 /nfs/dbraw/zinc/21/28/09/606212809.db2.gz UWXAHGIBUNGYJO-SNVBAGLBSA-N -1 1 334.836 3.930 20 0 EHADMM CCC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000821022786 606212810 /nfs/dbraw/zinc/21/28/10/606212810.db2.gz UWXAHGIBUNGYJO-SNVBAGLBSA-N -1 1 334.836 3.930 20 0 EHADMM CC(C)[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000820027338 606442738 /nfs/dbraw/zinc/44/27/38/606442738.db2.gz QVZIQRILTVSHNZ-LLVKDONJSA-N -1 1 334.836 3.786 20 0 EHADMM CC(C)[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000820027338 606442739 /nfs/dbraw/zinc/44/27/39/606442739.db2.gz QVZIQRILTVSHNZ-LLVKDONJSA-N -1 1 334.836 3.786 20 0 EHADMM CSCc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821970819 606464491 /nfs/dbraw/zinc/46/44/91/606464491.db2.gz SOVBFWGVGFELQI-UHFFFAOYSA-N -1 1 332.820 3.522 20 0 EHADMM CSCc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821970819 606464494 /nfs/dbraw/zinc/46/44/94/606464494.db2.gz SOVBFWGVGFELQI-UHFFFAOYSA-N -1 1 332.820 3.522 20 0 EHADMM CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820192455 606492786 /nfs/dbraw/zinc/49/27/86/606492786.db2.gz OOVKLMWUDSQBHC-LLVKDONJSA-N -1 1 341.440 3.543 20 0 EHADMM CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820192455 606492787 /nfs/dbraw/zinc/49/27/87/606492787.db2.gz OOVKLMWUDSQBHC-LLVKDONJSA-N -1 1 341.440 3.543 20 0 EHADMM CC(C)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820183495 606744523 /nfs/dbraw/zinc/74/45/23/606744523.db2.gz FZHDVONHGWPQTP-UHFFFAOYSA-N -1 1 345.453 3.681 20 0 EHADMM CC(C)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820183495 606744525 /nfs/dbraw/zinc/74/45/25/606744525.db2.gz FZHDVONHGWPQTP-UHFFFAOYSA-N -1 1 345.453 3.681 20 0 EHADMM Cc1ccc(Cl)cc1Oc1snc(Cl)c1-c1nn[n-]n1 ZINC000826289382 608187682 /nfs/dbraw/zinc/18/76/82/608187682.db2.gz XXEKSKTYASBLFW-UHFFFAOYSA-N -1 1 328.184 3.731 20 0 EHADMM Cc1cc(C)c(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)o1 ZINC000826263258 608347482 /nfs/dbraw/zinc/34/74/82/608347482.db2.gz RQPBHEHOBTWSRT-UHFFFAOYSA-N -1 1 345.428 3.688 20 0 EHADMM Cc1cc(C)c(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)o1 ZINC000826263258 608347484 /nfs/dbraw/zinc/34/74/84/608347484.db2.gz RQPBHEHOBTWSRT-UHFFFAOYSA-N -1 1 345.428 3.688 20 0 EHADMM Cc1c(C(=O)[O-])cc(CN[C@@H](C)c2ccccc2OC(C)C)n1C ZINC000326290574 971280319 /nfs/dbraw/zinc/28/03/19/971280319.db2.gz BPSOFHGKATYJND-ZDUSSCGKSA-N -1 1 330.428 3.670 20 0 EHADMM c1csc(-c2cccc(NCc3ccnc(-c4nnn[n-]4)c3)c2)c1 ZINC000826516906 948443998 /nfs/dbraw/zinc/44/39/98/948443998.db2.gz HNSBRTVJVZKUHY-UHFFFAOYSA-N -1 1 334.408 3.602 20 0 EHADMM c1csc(-c2cccc(NCc3ccnc(-c4nn[n-]n4)c3)c2)c1 ZINC000826516906 948444002 /nfs/dbraw/zinc/44/40/02/948444002.db2.gz HNSBRTVJVZKUHY-UHFFFAOYSA-N -1 1 334.408 3.602 20 0 EHADMM CC(C)[C@H]1CCC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001574093600 949110344 /nfs/dbraw/zinc/11/03/44/949110344.db2.gz WLFDYHSRDKSQFN-DTWKUNHWSA-N -1 1 326.857 3.603 20 0 EHADMM O=C([O-])c1ccc(CNCc2cccc(Br)c2F)cc1 ZINC001595230493 949340962 /nfs/dbraw/zinc/34/09/62/949340962.db2.gz JUTIAOFAXSIPQY-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2[nH]1 ZINC001602925609 971889177 /nfs/dbraw/zinc/88/91/77/971889177.db2.gz NTKLUSWSOGHGAY-ZDUSSCGKSA-N -1 1 331.416 3.546 20 0 EHADMM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC(C)(C(=O)[O-])CC1 ZINC000647374973 953958635 /nfs/dbraw/zinc/95/86/35/953958635.db2.gz PKNJIIJJDPQCQS-NSHDSACASA-N -1 1 349.818 3.638 20 0 EHADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460822502 1032062826 /nfs/dbraw/zinc/06/28/26/1032062826.db2.gz FKMFASGZHSKJHK-UHFFFAOYSA-N -1 1 343.452 3.970 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2cccc(F)c2OC(F)F)C1 ZINC000662210561 954381757 /nfs/dbraw/zinc/38/17/57/954381757.db2.gz HPXGBXGMIFQDKC-LLVKDONJSA-N -1 1 331.334 3.504 20 0 EHADMM CCOc1cc(CN2CCC(CCC(=O)[O-])CC2)cc(Cl)c1O ZINC000665343746 954543692 /nfs/dbraw/zinc/54/36/92/954543692.db2.gz SLJQUNFNTNZIME-UHFFFAOYSA-N -1 1 341.835 3.521 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1F ZINC000460826173 1032065590 /nfs/dbraw/zinc/06/55/90/1032065590.db2.gz DRZSAGOVDXKWGL-UHFFFAOYSA-N -1 1 341.379 3.898 20 0 EHADMM O=C(NCC1(c2ccccc2)CCCC1)c1c(F)ccc([O-])c1F ZINC000537990247 1032067150 /nfs/dbraw/zinc/06/71/50/1032067150.db2.gz HJFJSBKSNXVSPY-UHFFFAOYSA-N -1 1 331.362 3.912 20 0 EHADMM Cc1c(Cl)cccc1N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000903713034 956911048 /nfs/dbraw/zinc/91/10/48/956911048.db2.gz XWEIUSJCRWYPJQ-UHFFFAOYSA-N -1 1 344.842 3.669 20 0 EHADMM C[C@@H](CN(C)[C@@H](C)c1nnc(-c2ccc3ccccc3c2)o1)C(=O)[O-] ZINC001603155526 972255325 /nfs/dbraw/zinc/25/53/25/972255325.db2.gz ATSUMXBDMUPFJI-STQMWFEESA-N -1 1 339.395 3.603 20 0 EHADMM Cc1cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c(Br)cc1F ZINC001594303230 957930530 /nfs/dbraw/zinc/93/05/30/957930530.db2.gz OCXOLXRDGMOWAD-GHMZBOCLSA-N -1 1 344.224 3.582 20 0 EHADMM Cc1ccc(CN(C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)s1 ZINC001594359976 958438000 /nfs/dbraw/zinc/43/80/00/958438000.db2.gz DSDKTLZSXGZXLQ-AWEZNQCLSA-N -1 1 348.468 3.583 20 0 EHADMM Cc1cccc(-c2nnc([C@H](C)N3CCC[C@H](CCC(=O)[O-])C3)o2)c1 ZINC001605318963 973151058 /nfs/dbraw/zinc/15/10/58/973151058.db2.gz RRUPSYWUPGMGKH-LSDHHAIUSA-N -1 1 343.427 3.683 20 0 EHADMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1csc2ccccc21 ZINC000504694325 974271765 /nfs/dbraw/zinc/27/17/65/974271765.db2.gz GXFOQJFMMKDXMU-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM O=C([O-])CCC1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000563274573 974523597 /nfs/dbraw/zinc/52/35/97/974523597.db2.gz QINJSFYWXWIZJL-UHFFFAOYSA-N -1 1 330.453 3.887 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)c(OC)c1 ZINC000566358328 974607604 /nfs/dbraw/zinc/60/76/04/974607604.db2.gz GRLBYERYWQCPGU-MRXNPFEDSA-N -1 1 345.395 3.641 20 0 EHADMM O=C([O-])c1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000566357976 974607668 /nfs/dbraw/zinc/60/76/68/974607668.db2.gz BQXMBTDBNOZMPZ-AWEZNQCLSA-N -1 1 345.420 3.555 20 0 EHADMM C[C@H](CN(C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000566624816 974618208 /nfs/dbraw/zinc/61/82/08/974618208.db2.gz BMVXMAAMCVGQFQ-SNVBAGLBSA-N -1 1 342.317 3.513 20 0 EHADMM Cc1nc(C)c(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)s1 ZINC000573808731 974771423 /nfs/dbraw/zinc/77/14/23/974771423.db2.gz PLMVTMHAZIXOFI-UHFFFAOYSA-N -1 1 340.395 3.515 20 0 EHADMM CC(C)Oc1c(NC(=O)c2cc(Cl)ccc2O)cccc1C(=O)[O-] ZINC001591746283 975780703 /nfs/dbraw/zinc/78/07/03/975780703.db2.gz GAGRREYXHLBRIY-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM O=C([O-])CCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cn1 ZINC000659790645 975877288 /nfs/dbraw/zinc/87/72/88/975877288.db2.gz WNYYWWRCNURTHC-UHFFFAOYSA-N -1 1 338.329 3.577 20 0 EHADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Cl)ccc1O ZINC001591771892 975901500 /nfs/dbraw/zinc/90/15/00/975901500.db2.gz OKKRCEWNBJMREM-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM CC(C)Oc1ccc(NC(=O)c2ccc(O)c(Cl)c2)c(C(=O)[O-])c1 ZINC001591787850 975965297 /nfs/dbraw/zinc/96/52/97/975965297.db2.gz FOLGGOXOKUPDRT-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM CC(C)c1cnc(C[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)s1 ZINC001592002588 976651797 /nfs/dbraw/zinc/65/17/97/976651797.db2.gz AAMMUHQHRAHACL-HUUCEWRRSA-N -1 1 330.453 3.567 20 0 EHADMM CC(C)c1nc([C@@H]2CCCCN2C[C@@H]2CCCC[C@@H]2C(=O)[O-])no1 ZINC001592016196 976702615 /nfs/dbraw/zinc/70/26/15/976702615.db2.gz XPKDSNPRKRUVFX-KKUMJFAQSA-N -1 1 335.448 3.611 20 0 EHADMM C[C@H](CN(Cc1ccccc1)Cc1cc(O)ccc1Cl)C(=O)[O-] ZINC001592604491 978543196 /nfs/dbraw/zinc/54/31/96/978543196.db2.gz DDDNHGDWDDKVNF-CYBMUJFWSA-N -1 1 333.815 3.769 20 0 EHADMM CCN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@H](O)c1ccc(C)cc1 ZINC000846250883 979425595 /nfs/dbraw/zinc/42/55/95/979425595.db2.gz WHTJXEGKCRATNV-SFHVURJKSA-N -1 1 347.842 3.902 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Sc3ccccn3)o1)CC2 ZINC000859806786 979637657 /nfs/dbraw/zinc/63/76/57/979637657.db2.gz NBNXMDXSTMDAIV-CQSZACIVSA-N -1 1 344.436 3.513 20 0 EHADMM O=C([O-])CCN(Cc1ccc(Oc2ccccc2)o1)C[C@@H]1CCCO1 ZINC000901680992 980445512 /nfs/dbraw/zinc/44/55/12/980445512.db2.gz JNOLSQMSUILBPP-INIZCTEOSA-N -1 1 345.395 3.528 20 0 EHADMM CCc1oc(CNCc2ccccc2COC(C)C)cc1C(=O)[O-] ZINC000902119994 980744127 /nfs/dbraw/zinc/74/41/27/980744127.db2.gz CLSUFZZVRUQZJY-UHFFFAOYSA-N -1 1 331.412 3.755 20 0 EHADMM Cc1oc(CNCc2ccc(OC3CCCC3)cc2)cc1C(=O)[O-] ZINC000902202109 980781270 /nfs/dbraw/zinc/78/12/70/980781270.db2.gz ARBUCALDYWSOSD-UHFFFAOYSA-N -1 1 329.396 3.897 20 0 EHADMM CC(C)(C)OCc1cccc(CNCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000902214743 980786062 /nfs/dbraw/zinc/78/60/62/980786062.db2.gz ZDAORDFQYILJOP-MDZDMXLPSA-N -1 1 343.423 3.982 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1Cl ZINC000902223371 980789463 /nfs/dbraw/zinc/78/94/63/980789463.db2.gz AHSZISASVRCEDJ-LJQANCHMSA-N -1 1 343.810 3.670 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccsc2Cl)cc1 ZINC000683171634 1014729196 /nfs/dbraw/zinc/72/91/96/1014729196.db2.gz NTXPBBWYHSLQRX-CYBMUJFWSA-N -1 1 325.817 3.716 20 0 EHADMM COc1ccc(-c2ccncc2)cc1CNCc1cccc(C(=O)[O-])c1 ZINC000683176758 1014760649 /nfs/dbraw/zinc/76/06/49/1014760649.db2.gz QSDXIJDULJWIMU-UHFFFAOYSA-N -1 1 348.402 3.745 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC001599961649 985793367 /nfs/dbraw/zinc/79/33/67/985793367.db2.gz WHNHLYCHGRZYAD-KRWDZBQOSA-N -1 1 346.402 3.720 20 0 EHADMM Cc1[nH]c(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)cc1C(=O)[O-] ZINC001599964251 985864903 /nfs/dbraw/zinc/86/49/03/985864903.db2.gz FQWFPDCJWGMEKU-OAHLLOKOSA-N -1 1 332.375 3.552 20 0 EHADMM CC[C@H]1c2ccccc2CN1C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000890610310 1015258095 /nfs/dbraw/zinc/25/80/95/1015258095.db2.gz BLNWVBBDCSJDBX-HNNXBMFYSA-N -1 1 325.412 3.721 20 0 EHADMM CC[C@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccccc1F ZINC001597349683 987486862 /nfs/dbraw/zinc/48/68/62/987486862.db2.gz RFTMBMFTLWTJFY-UGSOOPFHSA-N -1 1 331.387 3.919 20 0 EHADMM CCc1[nH]c(CN[C@@H](CC)c2cc(F)ccc2OC)cc1C(=O)[O-] ZINC001597391348 987621376 /nfs/dbraw/zinc/62/13/76/987621376.db2.gz KZPDTAAJDALDLS-HNNXBMFYSA-N -1 1 334.391 3.664 20 0 EHADMM CCc1noc(CC)c1CN[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001597748637 989133639 /nfs/dbraw/zinc/13/36/39/989133639.db2.gz NQMCXSPBPMMDST-KRWDZBQOSA-N -1 1 328.412 3.665 20 0 EHADMM CC(C)(C)c1ccc(NC(=O)CN[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001590493586 990096531 /nfs/dbraw/zinc/09/65/31/990096531.db2.gz MHVFRLWGMVJBDH-GOSISDBHSA-N -1 1 346.471 3.546 20 0 EHADMM CN(Cc1cccc(F)c1OC(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC001598526115 992723226 /nfs/dbraw/zinc/72/32/26/992723226.db2.gz LIUHLQIWOSWCCA-AWEZNQCLSA-N -1 1 339.313 3.685 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(/C=C\C(=O)[O-])o1)[C@H]2C ZINC001599626906 994162478 /nfs/dbraw/zinc/16/24/78/994162478.db2.gz OBLMZJJIGCBENB-VTLBSYCISA-N -1 1 341.407 3.894 20 0 EHADMM C[C@@H](N[C@H](C)c1ccccc1OC(F)F)c1cncc(C(=O)[O-])c1 ZINC001593198537 994172838 /nfs/dbraw/zinc/17/28/38/994172838.db2.gz SIOAMCQRSVAKSD-GHMZBOCLSA-N -1 1 336.338 3.793 20 0 EHADMM C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccccc1OCC(=O)[O-] ZINC001593208415 994226068 /nfs/dbraw/zinc/22/60/68/994226068.db2.gz BUFOWPCLDUZGSF-VLIAUNLRSA-N -1 1 340.423 3.737 20 0 EHADMM C[C@@H](N[C@H]1CCSc2c(F)cccc21)c1cncc(C(=O)[O-])c1 ZINC001593232042 994380354 /nfs/dbraw/zinc/38/03/54/994380354.db2.gz LRZSPQNDXPPDDT-BMIGLBTASA-N -1 1 332.400 3.807 20 0 EHADMM C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000536686918 1032131044 /nfs/dbraw/zinc/13/10/44/1032131044.db2.gz LFHXCSQZUMBRCX-HNNXBMFYSA-N -1 1 335.403 3.569 20 0 EHADMM COc1cccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1Cl ZINC001599674223 994869079 /nfs/dbraw/zinc/86/90/79/994869079.db2.gz LSSUDCIIRHRTEB-PXAZEXFGSA-N -1 1 333.815 3.900 20 0 EHADMM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000154900043 1015918975 /nfs/dbraw/zinc/91/89/75/1015918975.db2.gz HNMYFQLDZBHIFT-XMMPIXPASA-N -1 1 349.427 3.831 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc4c3CCCC4)ccc2o1 ZINC000748091775 1015947672 /nfs/dbraw/zinc/94/76/72/1015947672.db2.gz JIPDZMWOBVSCIR-UHFFFAOYSA-N -1 1 342.420 3.816 20 0 EHADMM C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1ccoc1C(=O)[O-] ZINC001593733042 996317453 /nfs/dbraw/zinc/31/74/53/996317453.db2.gz BPQJSWGODQCIOK-VIFPVBQESA-N -1 1 333.775 3.701 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000339958652 1016068571 /nfs/dbraw/zinc/06/85/71/1016068571.db2.gz BQWWRYRHEYBJOU-OAQYLSRUSA-N -1 1 344.414 3.770 20 0 EHADMM COC[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC001599176836 996862722 /nfs/dbraw/zinc/86/27/22/996862722.db2.gz HOAKZYIBPYZQSP-INIZCTEOSA-N -1 1 337.778 3.655 20 0 EHADMM CC1(C)CN(c2ccc(Cl)cc2)CCN1Cc1ccoc1C(=O)[O-] ZINC001593946706 996997597 /nfs/dbraw/zinc/99/75/97/996997597.db2.gz IYLDGCXQDODDST-UHFFFAOYSA-N -1 1 348.830 3.732 20 0 EHADMM CC1(C)CN(c2ccc(Cl)cc2)CCN1Cc1ccc(C(=O)[O-])o1 ZINC001593948013 997008090 /nfs/dbraw/zinc/00/80/90/997008090.db2.gz ZRUIHPSJEZBKGF-UHFFFAOYSA-N -1 1 348.830 3.732 20 0 EHADMM COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC001599186318 997032036 /nfs/dbraw/zinc/03/20/36/997032036.db2.gz IEAOPZZLSCQVJE-AWEZNQCLSA-N -1 1 339.844 3.919 20 0 EHADMM COC1([C@@H](C)NCc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCC1 ZINC001599084263 997068438 /nfs/dbraw/zinc/06/84/38/997068438.db2.gz RGWMEOOWZHYSEK-GFCCVEGCSA-N -1 1 346.452 3.556 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccccc1SC)CC2 ZINC001599502234 997145136 /nfs/dbraw/zinc/14/51/36/997145136.db2.gz YKBUIISNOGZJNE-UHFFFAOYSA-N -1 1 343.448 3.674 20 0 EHADMM COc1cc(C=CC(=O)[O-])ccc1OCc1ccc2nc(C)[nH]c2c1 ZINC001599398836 997177846 /nfs/dbraw/zinc/17/78/46/997177846.db2.gz JBGXGRANOMQHMP-VMPITWQZSA-N -1 1 338.363 3.557 20 0 EHADMM COc1ccc(Cl)cc1C(C)(C)NCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599578746 998490845 /nfs/dbraw/zinc/49/08/45/998490845.db2.gz FSNFRFZOHJTJRG-UHFFFAOYSA-N -1 1 336.819 3.708 20 0 EHADMM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccccc2C)n1 ZINC000340076694 1016219985 /nfs/dbraw/zinc/21/99/85/1016219985.db2.gz PJPAVWRXPXSYRL-UHFFFAOYSA-N -1 1 341.436 3.598 20 0 EHADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594216999 998835859 /nfs/dbraw/zinc/83/58/59/998835859.db2.gz ZGHUOZKBKXDBHN-JSGCOSHPSA-N -1 1 329.444 3.908 20 0 EHADMM CC(=O)CCc1ccc(OCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000182860440 1032144766 /nfs/dbraw/zinc/14/47/66/1032144766.db2.gz WCTIDDSMTVPQKM-UHFFFAOYSA-N -1 1 347.798 3.585 20 0 EHADMM C[C@H](c1ncc(C(=O)[O-])s1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC001594267411 999037040 /nfs/dbraw/zinc/03/70/40/999037040.db2.gz XLQXVCZLVANZDC-NQBHXWOUSA-N -1 1 334.416 3.919 20 0 EHADMM Cc1cc(Br)oc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153695676 1016329275 /nfs/dbraw/zinc/32/92/75/1016329275.db2.gz XPXZHLBFPDHAFE-UHFFFAOYSA-N -1 1 330.565 3.962 20 0 EHADMM C[C@@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC001594426340 999593560 /nfs/dbraw/zinc/59/35/60/999593560.db2.gz JOIFHVSPWPEMFL-BFUOFWGJSA-N -1 1 335.407 3.844 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1cc2c(ccnc2Cl)o1 ZINC001125325239 1016498607 /nfs/dbraw/zinc/49/86/07/1016498607.db2.gz ZZILNKQPVPFNOD-UHFFFAOYSA-N -1 1 330.703 3.523 20 0 EHADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1c([O-])cccc1Cl ZINC000143651137 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Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c(C)c1 ZINC000538516733 1032409061 /nfs/dbraw/zinc/40/90/61/1032409061.db2.gz OWLZZVQTVDXRQW-CYBMUJFWSA-N -1 1 331.441 3.535 20 0 EHADMM CCc1ccccc1Cc1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000683596954 1017595658 /nfs/dbraw/zinc/59/56/58/1017595658.db2.gz AGOTVXUAPFGVOS-UHFFFAOYSA-N -1 1 337.379 3.554 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC2(C1)Oc1ccccc1O2 ZINC000377479281 1017883304 /nfs/dbraw/zinc/88/33/04/1017883304.db2.gz UNIJWTZWFFVSDV-UHFFFAOYSA-N -1 1 347.370 3.559 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(OCc2ccccc2)CC1 ZINC000073119703 1017992739 /nfs/dbraw/zinc/99/27/39/1017992739.db2.gz YQEWCUQYHSFNGU-UHFFFAOYSA-N -1 1 345.826 3.867 20 0 EHADMM C[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccsc1 ZINC000606530212 1032739714 /nfs/dbraw/zinc/73/97/14/1032739714.db2.gz CRNBKLKDVBAWRI-CYBMUJFWSA-N -1 1 343.448 3.679 20 0 EHADMM O=C(Nc1n[nH]cc1-c1ccc(Cl)cc1)c1ccc([O-])c(F)c1 ZINC001167328985 1018123339 /nfs/dbraw/zinc/12/33/39/1018123339.db2.gz 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EHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000443408838 1025986851 /nfs/dbraw/zinc/98/68/51/1025986851.db2.gz UXTGRZRCLJZNCP-UHFFFAOYSA-N -1 1 329.780 3.679 20 0 EHADMM O=C(C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)c1ccc([O-])cc1 ZINC000436667809 1026005907 /nfs/dbraw/zinc/00/59/07/1026005907.db2.gz VUHJOMYNTJURAF-IBGZPJMESA-N -1 1 348.402 3.810 20 0 EHADMM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(O)cc1[O-] ZINC000436669826 1026007835 /nfs/dbraw/zinc/00/78/35/1026007835.db2.gz BJNJBQVVHUDRTD-UHFFFAOYSA-N -1 1 341.363 3.782 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1F ZINC000443421083 1026018050 /nfs/dbraw/zinc/01/80/50/1026018050.db2.gz WXHOZYPHGHJDLG-UHFFFAOYSA-N -1 1 335.400 3.648 20 0 EHADMM CCC(=O)c1ccc(O)c(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000436659146 1026018888 /nfs/dbraw/zinc/01/88/88/1026018888.db2.gz QEMLXFWOGGKRFK-UHFFFAOYSA-N -1 1 337.734 3.735 20 0 EHADMM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000436689218 1026048430 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ZINC000584724597 1039638788 /nfs/dbraw/zinc/63/87/88/1039638788.db2.gz GECWNVDBULDEDW-CYBMUJFWSA-N -1 1 325.836 3.819 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000478739223 1039678750 /nfs/dbraw/zinc/67/87/50/1039678750.db2.gz KWMODVKZSUNJAI-OAHLLOKOSA-N -1 1 347.871 3.770 20 0 EHADMM Cc1cc(C)c(C=CC(=O)NCc2n[n-]c(=S)n2C2CC2)cc1C ZINC000067070228 1039700618 /nfs/dbraw/zinc/70/06/18/1039700618.db2.gz GQZMRZFTBONQSS-QPJJXVBHSA-N -1 1 342.468 3.530 20 0 EHADMM CCCCc1oc2ccccc2c1/C=C\c1cc(=O)n2[n-]cnc2n1 ZINC000486127642 1039909485 /nfs/dbraw/zinc/90/94/85/1039909485.db2.gz RLDLOYPEQZVWIK-KTKRTIGZSA-N -1 1 334.379 3.677 20 0 EHADMM CCn1cc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000417557807 1039998137 /nfs/dbraw/zinc/99/81/37/1039998137.db2.gz CSMMUJVXOZUGER-AWEZNQCLSA-N -1 1 342.226 3.515 20 0 EHADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2ncc(C(C)C)s2)cc1 ZINC000417580374 1040027784 /nfs/dbraw/zinc/02/77/84/1040027784.db2.gz QSQONTCIBYPVLN-OAHLLOKOSA-N -1 1 348.468 3.971 20 0 EHADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(OC)ccc2F)cc1 ZINC000417583523 1040034162 /nfs/dbraw/zinc/03/41/62/1040034162.db2.gz WQWZLCGVJRJBHG-GOSISDBHSA-N -1 1 347.386 3.539 20 0 EHADMM Cc1noc(C)c1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417589864 1040045103 /nfs/dbraw/zinc/04/51/03/1040045103.db2.gz QOFXSPJPBLYQNG-CQSZACIVSA-N -1 1 342.317 3.616 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)ccc1F ZINC000479254893 1040077484 /nfs/dbraw/zinc/07/74/84/1040077484.db2.gz YXRNMGXADYLQBG-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM CCOC[C@H](NCc1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000417613409 1040083619 /nfs/dbraw/zinc/08/36/19/1040083619.db2.gz ZEGDNPPSLGGKFF-AWEZNQCLSA-N -1 1 339.844 3.648 20 0 EHADMM Cc1cccc([C@@H](C)CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000489592878 1040088270 /nfs/dbraw/zinc/08/82/70/1040088270.db2.gz AXKVIAFZPZAJHZ-LBPRGKRZSA-N -1 1 348.240 3.997 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1Cl ZINC000489975545 1040267105 /nfs/dbraw/zinc/26/71/05/1040267105.db2.gz ACLYJPJXTJJNBM-UHFFFAOYSA-N -1 1 344.210 3.625 20 0 EHADMM Cc1[n-]n(-c2ccc(-c3ccc(Cl)s3)nn2)c(=O)c1C(C)C ZINC000899352637 1040357129 /nfs/dbraw/zinc/35/71/29/1040357129.db2.gz MQWWXBJVROADFY-CQSZACIVSA-N -1 1 334.832 3.853 20 0 EHADMM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1F ZINC000553773922 1040425768 /nfs/dbraw/zinc/42/57/68/1040425768.db2.gz XBKHNKMLTHPTBQ-UHFFFAOYSA-N -1 1 349.761 3.544 20 0 EHADMM O=c1nc(CN2CCC[C@H](c3ccccc3)C2)[n-]c2ccsc21 ZINC000433056700 1040591770 /nfs/dbraw/zinc/59/17/70/1040591770.db2.gz DTBCQRPAHKRDAR-AWEZNQCLSA-N -1 1 325.437 3.777 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1sccc1F ZINC000490539601 1040595358 /nfs/dbraw/zinc/59/53/58/1040595358.db2.gz FQASJUKWOYZZFK-UHFFFAOYSA-N -1 1 327.793 3.666 20 0 EHADMM CC(C)(C)c1nc(C(=O)Nc2cccc([O-])c2Br)co1 ZINC000908716980 1040609260 /nfs/dbraw/zinc/60/92/60/1040609260.db2.gz DEYJCABNYUHAKI-UHFFFAOYSA-N -1 1 339.189 3.693 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000569722517 1040738827 /nfs/dbraw/zinc/73/88/27/1040738827.db2.gz QAPKXJMGGCEPAQ-JTQLQIEISA-N -1 1 338.190 3.889 20 0 EHADMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000192155162 1040756335 /nfs/dbraw/zinc/75/63/35/1040756335.db2.gz RSKULMSCOPHPKD-UHFFFAOYSA-N -1 1 343.857 3.877 20 0 EHADMM O=C(Cc1ccc(F)cc1Cl)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000487247550 1040833418 /nfs/dbraw/zinc/83/34/18/1040833418.db2.gz UEEHTKOFPOMDRT-UHFFFAOYSA-N -1 1 335.791 3.534 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc21 ZINC000500295624 1040962430 /nfs/dbraw/zinc/96/24/30/1040962430.db2.gz ICBOWBXBRZDWLN-UHFFFAOYSA-N -1 1 349.843 3.819 20 0 EHADMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cc2ccccc2s1 ZINC000170962666 1041207140 /nfs/dbraw/zinc/20/71/40/1041207140.db2.gz FVDVJSJFJGFRDN-LLVKDONJSA-N -1 1 349.415 3.629 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)n[nH]1 ZINC000317673327 1043017404 /nfs/dbraw/zinc/01/74/04/1043017404.db2.gz WIOZRBYHWBHWKR-HJWRWDBZSA-N -1 1 339.848 3.773 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000163390190 1043940066 /nfs/dbraw/zinc/94/00/66/1043940066.db2.gz BFRHFWBUHGPOPV-KRWDZBQOSA-N -1 1 339.416 3.821 20 0 EHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1[C@@H]1CCCOC1 ZINC000626277231 1044185169 /nfs/dbraw/zinc/18/51/69/1044185169.db2.gz JQVJMBFIYFWDJL-CYBMUJFWSA-N -1 1 332.375 3.553 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C)C1CCCCC1 ZINC000620369581 1125558708 /nfs/dbraw/zinc/55/87/08/1125558708.db2.gz AHEMZCKBJPBIGT-GFCCVEGCSA-N -1 1 333.476 3.734 20 0 EHADMM CC[C@@H](C)[C@H](C)C(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000183456680 1125567726 /nfs/dbraw/zinc/56/77/26/1125567726.db2.gz JPDVAUSEJONMDU-NEPJUHHUSA-N -1 1 345.468 3.562 20 0 EHADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000155056664 1125780367 /nfs/dbraw/zinc/78/03/67/1125780367.db2.gz RYTFIAFKDDRGKU-KBPBESRZSA-N -1 1 346.224 3.688 20 0 EHADMM C[C@H](Cc1cnc[nH]1)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000622481203 1126706146 /nfs/dbraw/zinc/70/61/46/1126706146.db2.gz KAOKNTZJWJJRLX-ZCFIWIBFSA-N -1 1 348.617 3.893 20 0 EHADMM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1c([O-])cccc1F ZINC000622597624 1126731333 /nfs/dbraw/zinc/73/13/33/1126731333.db2.gz SROGXQWICQHXJO-UHFFFAOYSA-N -1 1 329.705 3.707 20 0 EHADMM COc1ccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000622739987 1126759010 /nfs/dbraw/zinc/75/90/10/1126759010.db2.gz JRPKZKZNQLOMQD-UHFFFAOYSA-N -1 1 325.286 3.696 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2C1 ZINC000171346046 1126762764 /nfs/dbraw/zinc/76/27/64/1126762764.db2.gz ZMVLFUGTIFDFFH-UHFFFAOYSA-N -1 1 348.443 3.661 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cnc4ccccc4c3)no2)c1 ZINC000350565148 1127086536 /nfs/dbraw/zinc/08/65/36/1127086536.db2.gz BNHDXCSJFFCPRW-UHFFFAOYSA-N -1 1 346.346 3.616 20 0 EHADMM CCOc1cc(-c2nc([C@H]3CCOC[C@H]3C)no2)cc(Cl)c1[O-] ZINC000350604883 1127091398 /nfs/dbraw/zinc/09/13/98/1127091398.db2.gz XGYQZGYPLONDAU-KOLCDFICSA-N -1 1 338.791 3.634 20 0 EHADMM CCOc1cc(-c2noc([C@@H]3CCOC[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000350614481 1127093086 /nfs/dbraw/zinc/09/30/86/1127093086.db2.gz UNDQXEOLYYRUPG-GXSJLCMTSA-N -1 1 338.791 3.634 20 0 EHADMM CN(CCCOCc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000384281177 1127573743 /nfs/dbraw/zinc/57/37/43/1127573743.db2.gz GOUMKCVFAQERAI-UHFFFAOYSA-N -1 1 333.815 3.725 20 0 EHADMM CN(C)c1cc(C(=O)Nc2cccc(F)c2[O-])cc(C(F)(F)F)c1 ZINC001302487799 1127675281 /nfs/dbraw/zinc/67/52/81/1127675281.db2.gz ZKFZZCGJSRMWIY-UHFFFAOYSA-N -1 1 342.292 3.868 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000024578518 1127707940 /nfs/dbraw/zinc/70/79/40/1127707940.db2.gz XUMJHIMWVGCCHC-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1ccc(S(=O)(=O)Nc2cccc3ccsc32)cc1C(=O)[O-] ZINC000386657887 1127710284 /nfs/dbraw/zinc/71/02/84/1127710284.db2.gz RYANKTHBTSFRFA-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1F ZINC000671662597 1127770952 /nfs/dbraw/zinc/77/09/52/1127770952.db2.gz IFBMENOQNKCBNU-UHFFFAOYSA-N -1 1 345.754 3.622 20 0 EHADMM O=C(Nc1nnc(C(F)(F)F)s1)c1cc2ccccc2cc1[O-] ZINC000029283390 1127798362 /nfs/dbraw/zinc/79/83/62/1127798362.db2.gz RGCFWCUBCVDUAG-UHFFFAOYSA-N -1 1 339.298 3.668 20 0 EHADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000057126240 1128037428 /nfs/dbraw/zinc/03/74/28/1128037428.db2.gz NKIUFZJVWRMLIW-CYBMUJFWSA-N -1 1 335.425 3.673 20 0 EHADMM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000074932440 1128832091 /nfs/dbraw/zinc/83/20/91/1128832091.db2.gz GXDLBFXDOOAVOJ-UHFFFAOYSA-N -1 1 339.844 3.641 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000007052993 1128845699 /nfs/dbraw/zinc/84/56/99/1128845699.db2.gz OZLQQZLVGMZIEA-UHFFFAOYSA-N -1 1 331.315 3.515 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1F ZINC000007405779 1128864944 /nfs/dbraw/zinc/86/49/44/1128864944.db2.gz VAOOKTNJTKWHOK-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM Cc1ccccc1[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000228315574 1120326002 /nfs/dbraw/zinc/32/60/02/1120326002.db2.gz OCIWEYHWZSSXEX-LLVKDONJSA-N -1 1 334.213 3.954 20 0 EHADMM CCOc1cc(C(=O)NCC2(OC)CCCCC2)cc(Cl)c1[O-] ZINC000185436404 1120413963 /nfs/dbraw/zinc/41/39/63/1120413963.db2.gz WOHVQRPQABPYEW-UHFFFAOYSA-N -1 1 341.835 3.523 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000187053360 1120484679 /nfs/dbraw/zinc/48/46/79/1120484679.db2.gz OCIFJHXXWJVIIQ-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000187590523 1120504275 /nfs/dbraw/zinc/50/42/75/1120504275.db2.gz PQWRLCDWYJIJGK-MRVPVSSYSA-N -1 1 346.330 3.948 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(CCC(C)C)CCC(C)C ZINC000193330416 1120770945 /nfs/dbraw/zinc/77/09/45/1120770945.db2.gz AAGIMGRXJOGQMC-UHFFFAOYSA-N -1 1 349.519 3.910 20 0 EHADMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1c([O-])cccc1Cl ZINC000762343936 1121263917 /nfs/dbraw/zinc/26/39/17/1121263917.db2.gz KJNKPCNFKUOPHC-UHFFFAOYSA-N -1 1 337.753 3.785 20 0 EHADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)oc1C ZINC000054294046 1121751599 /nfs/dbraw/zinc/75/15/99/1121751599.db2.gz VSYUVAVXLTTZOF-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1cccc(Cl)c1 ZINC000055598511 1121844156 /nfs/dbraw/zinc/84/41/56/1121844156.db2.gz JVCIPBXQJLTPJJ-UHFFFAOYSA-N -1 1 333.743 3.742 20 0 EHADMM CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccc([O-])cc2F)n1 ZINC000496238805 1122023106 /nfs/dbraw/zinc/02/31/06/1122023106.db2.gz MNJNXPQDRSKRTB-ZDUSSCGKSA-N -1 1 349.362 3.653 20 0 EHADMM C[C@@H](N(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(C)(C)C ZINC000929918951 1122060539 /nfs/dbraw/zinc/06/05/39/1122060539.db2.gz YZQLJSJPOOIUSD-GFCCVEGCSA-N -1 1 329.396 3.971 20 0 EHADMM C[C@H](N(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(C)(C)C ZINC000929918956 1122061163 /nfs/dbraw/zinc/06/11/63/1122061163.db2.gz YZQLJSJPOOIUSD-LBPRGKRZSA-N -1 1 329.396 3.971 20 0 EHADMM COC(=O)N[C@@H](CC(C)C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000496434039 1122082666 /nfs/dbraw/zinc/08/26/66/1122082666.db2.gz KZPXIUQUDAKYBD-LBPRGKRZSA-N -1 1 339.779 3.539 20 0 EHADMM c1ccc(-c2nc(SCc3nn[n-]n3)oc2-c2ccccc2)cc1 ZINC000497198662 1122369367 /nfs/dbraw/zinc/36/93/67/1122369367.db2.gz MDXVFDUMGNPUHN-UHFFFAOYSA-N -1 1 335.392 3.814 20 0 EHADMM CCC(C)(C)C1CCC(NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000497740767 1122652199 /nfs/dbraw/zinc/65/21/99/1122652199.db2.gz XYQNDMZIVAZZLT-UHFFFAOYSA-N -1 1 341.455 3.648 20 0 EHADMM O=S(=O)([N-]c1ccc(C2CCC2)cc1)c1ccc2c(c1)COC2 ZINC000556053328 1122795485 /nfs/dbraw/zinc/79/54/85/1122795485.db2.gz ZAPFOYAGPAVMEE-UHFFFAOYSA-N -1 1 329.421 3.785 20 0 EHADMM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000129572755 1122803332 /nfs/dbraw/zinc/80/33/32/1122803332.db2.gz TUYPYORJYZCEJL-LLVKDONJSA-N -1 1 333.771 3.654 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccnc1OCC(F)(F)F ZINC000129591332 1122806795 /nfs/dbraw/zinc/80/67/95/1122806795.db2.gz IYHHEPQCGDVIOL-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000073853431 1123224474 /nfs/dbraw/zinc/22/44/74/1123224474.db2.gz AJJXGMDRQPWOLV-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM O=C(Nc1ccc2oc(=O)ccc2c1)c1cc2ccccc2cc1[O-] ZINC000920004312 1123260759 /nfs/dbraw/zinc/26/07/59/1123260759.db2.gz BJMQRZWYIWZFRI-UHFFFAOYSA-N -1 1 331.327 3.904 20 0 EHADMM COc1ccc(CCCN(C)C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000133115883 1123346193 /nfs/dbraw/zinc/34/61/93/1123346193.db2.gz JMQIPKLSVQPYHL-UHFFFAOYSA-N -1 1 333.815 3.759 20 0 EHADMM COc1ccc(Cl)cc1CN(C)C(=O)c1c([O-])cccc1Cl ZINC000920432508 1123373309 /nfs/dbraw/zinc/37/33/09/1123373309.db2.gz QDQXLOUIGLMQCQ-UHFFFAOYSA-N -1 1 340.206 3.980 20 0 EHADMM Cc1ccc(Sc2nsc([N-]C(=O)c3cscn3)n2)cc1 ZINC000075178660 1123378242 /nfs/dbraw/zinc/37/82/42/1123378242.db2.gz YUXMNIJSNINGCM-UHFFFAOYSA-N -1 1 334.451 3.707 20 0 EHADMM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc([O-])cc1F ZINC000133637380 1123410772 /nfs/dbraw/zinc/41/07/72/1123410772.db2.gz TYWNKPTVHXCLIK-ZDUSSCGKSA-N -1 1 349.230 3.843 20 0 EHADMM COc1cc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc(Cl)c1[O-] ZINC000134927345 1123566081 /nfs/dbraw/zinc/56/60/81/1123566081.db2.gz CCAZITVPLDDXGI-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM COc1cc(C(=O)Nc2cccc(Cl)c2OC)cc(Cl)c1[O-] ZINC000134984915 1123571510 /nfs/dbraw/zinc/57/15/10/1123571510.db2.gz ICIZWOMGPPHATJ-UHFFFAOYSA-N -1 1 342.178 3.969 20 0 EHADMM COc1ccccc1CC1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000081958620 1123935763 /nfs/dbraw/zinc/93/57/63/1123935763.db2.gz WDPDWWLJKDAUTR-UHFFFAOYSA-N -1 1 343.398 3.635 20 0 EHADMM O=C(CCc1cc2ccccc2o1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365539 1124500198 /nfs/dbraw/zinc/50/01/98/1124500198.db2.gz SIWWWIMXNGCHLN-UHFFFAOYSA-N -1 1 337.404 3.878 20 0 EHADMM Cc1cc(SC2CCCCC2)ccc1NC(=O)CCc1nn[n-]n1 ZINC000630865174 1124918910 /nfs/dbraw/zinc/91/89/10/1124918910.db2.gz AMLBNIWWVCKKHD-UHFFFAOYSA-N -1 1 345.472 3.504 20 0 EHADMM CC(C)(C)n1nc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1C1CC1 ZINC000826560604 1131326889 /nfs/dbraw/zinc/32/68/89/1131326889.db2.gz SOEFBCLNCQGFMP-UHFFFAOYSA-N -1 1 335.354 3.752 20 0 EHADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)cc1F ZINC000618388207 1125063332 /nfs/dbraw/zinc/06/33/32/1125063332.db2.gz CFYWXBSHHGCRII-OAHLLOKOSA-N -1 1 333.334 3.656 20 0 EHADMM CSCCCCCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000182095688 1125155851 /nfs/dbraw/zinc/15/58/51/1125155851.db2.gz APWABAFMGJFNDS-UHFFFAOYSA-N -1 1 346.500 3.784 20 0 EHADMM C[C@@H](C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000182592623 1125338997 /nfs/dbraw/zinc/33/89/97/1125338997.db2.gz XSHPYGMXNSOCFU-SNVBAGLBSA-N -1 1 337.206 3.558 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000922537580 1129565605 /nfs/dbraw/zinc/56/56/05/1129565605.db2.gz GFAPIRDGNQIKEW-BBRMVZONSA-N -1 1 337.423 3.689 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1Cl ZINC000509102341 1129748981 /nfs/dbraw/zinc/74/89/81/1129748981.db2.gz GQWSNNYFRVXHAM-UHFFFAOYSA-N -1 1 343.857 3.871 20 0 EHADMM CCOc1cc(C(=O)NNc2ccc(F)cc2C)cc(Cl)c1[O-] ZINC000186903568 1129901954 /nfs/dbraw/zinc/90/19/54/1129901954.db2.gz MBVWKBCAJSCHMY-UHFFFAOYSA-N -1 1 338.766 3.649 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(Oc2cccc(F)c2)CC1 ZINC000529622815 1130062045 /nfs/dbraw/zinc/06/20/45/1130062045.db2.gz TUBGXQVONGYJNT-UHFFFAOYSA-N -1 1 349.789 3.868 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)C=C[C@]2(C)CC[C@@H](C)C2(C)C)n1 ZINC001128847642 1130207364 /nfs/dbraw/zinc/20/73/64/1130207364.db2.gz UCJCIDZOTCZLIN-BACITOSSSA-N -1 1 333.432 3.544 20 0 EHADMM CCOc1cc([N-]c2nnc(Br)s2)c(F)cc1F ZINC001212528907 1130249462 /nfs/dbraw/zinc/24/94/62/1130249462.db2.gz UREISFWNLTVQJS-UHFFFAOYSA-N -1 1 336.161 3.721 20 0 EHADMM O=C(Nc1ccncc1[O-])c1cc(-c2ccccc2)nc2ccccc21 ZINC000731858847 1130850511 /nfs/dbraw/zinc/85/05/11/1130850511.db2.gz OPQFUEVSWOLUPJ-UHFFFAOYSA-N -1 1 341.370 3.677 20 0 EHADMM CC(C)c1cnc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000733307181 1131019801 /nfs/dbraw/zinc/01/98/01/1131019801.db2.gz JXOHHSBIRXSPDU-UHFFFAOYSA-N -1 1 328.412 3.599 20 0 EHADMM CCN(CCC(F)(F)F)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000823060347 1131035936 /nfs/dbraw/zinc/03/59/36/1131035936.db2.gz NCUZFNJJSJCQTM-UHFFFAOYSA-N -1 1 327.302 3.666 20 0 EHADMM CC[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)CC)c1ccccc1 ZINC000733470382 1131046451 /nfs/dbraw/zinc/04/64/51/1131046451.db2.gz JHBRVFFUOAXAQK-QGZVFWFLSA-N -1 1 347.436 3.756 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000736725432 1131431646 /nfs/dbraw/zinc/43/16/46/1131431646.db2.gz VFJNJOYHUZETJM-ZDUSSCGKSA-N -1 1 333.790 3.890 20 0 EHADMM O=C(NCc1ccccc1OCC1CC1)c1c([O-])cccc1Cl ZINC000740141974 1131521203 /nfs/dbraw/zinc/52/12/03/1131521203.db2.gz BRTLIKTXCTXNON-UHFFFAOYSA-N -1 1 331.799 3.764 20 0 EHADMM CN(Cc1ccsc1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000743272128 1131888758 /nfs/dbraw/zinc/88/87/58/1131888758.db2.gz NNEMUZVMWVVTLP-UHFFFAOYSA-N -1 1 335.812 3.846 20 0 EHADMM Cc1ccc([C@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000743294887 1131892480 /nfs/dbraw/zinc/89/24/80/1131892480.db2.gz AGICWNLEJWDYPD-AWEZNQCLSA-N -1 1 341.407 3.519 20 0 EHADMM CCc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000743784237 1131975091 /nfs/dbraw/zinc/97/50/91/1131975091.db2.gz FHISGOIKTOXGIS-UHFFFAOYSA-N -1 1 344.842 3.570 20 0 EHADMM C/C=C\C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC001150179266 1132068557 /nfs/dbraw/zinc/06/85/57/1132068557.db2.gz SLMZPFJSQOJBET-DLGQBQFBSA-N -1 1 338.245 3.973 20 0 EHADMM CCn1c(CNC(=O)c2cc3ccccc3cc2[O-])nc2ccccc21 ZINC000744314056 1132070473 /nfs/dbraw/zinc/07/04/73/1132070473.db2.gz JVILSDZVDAYWQW-UHFFFAOYSA-N -1 1 345.402 3.845 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000744452800 1132103193 /nfs/dbraw/zinc/10/31/93/1132103193.db2.gz HAJWUYVQCJCNRL-UHFFFAOYSA-N -1 1 342.391 3.782 20 0 EHADMM CCCCOC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000744978764 1132174813 /nfs/dbraw/zinc/17/48/13/1132174813.db2.gz MXAVOMONOQQANB-QMMMGPOBSA-N -1 1 335.183 3.588 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)c2cccs2)c1 ZINC000745040275 1132184458 /nfs/dbraw/zinc/18/44/58/1132184458.db2.gz ZNSVUYBHUIKGKY-UHFFFAOYSA-N -1 1 332.421 3.720 20 0 EHADMM CC(C)S(=O)(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174271213 1132307942 /nfs/dbraw/zinc/30/79/42/1132307942.db2.gz ICPCUAJHSYYWDA-UHFFFAOYSA-N -1 1 327.352 3.596 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(N3CCCC3)c2)c1 ZINC001174488662 1132371361 /nfs/dbraw/zinc/37/13/61/1132371361.db2.gz RDULTCUYMWIBOC-UHFFFAOYSA-N -1 1 346.452 3.530 20 0 EHADMM Cc1n[nH]cc1Nc1cc(Br)c([O-])c(Br)c1 ZINC001174474226 1132379925 /nfs/dbraw/zinc/37/99/25/1132379925.db2.gz WJOVERQPVISZCM-UHFFFAOYSA-N -1 1 347.010 3.692 20 0 EHADMM CCOc1ccc(OC)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001175212176 1132596265 /nfs/dbraw/zinc/59/62/65/1132596265.db2.gz FDMUKJPQCGQUTJ-UHFFFAOYSA-N -1 1 327.336 3.650 20 0 EHADMM O=C(OCc1cccc(OCC(F)(F)F)c1)c1ccc([O-])cc1F ZINC000773575574 1132921493 /nfs/dbraw/zinc/92/14/93/1132921493.db2.gz KJIDTAPWBAZPLL-UHFFFAOYSA-N -1 1 344.260 3.829 20 0 EHADMM COC(=O)c1c(Cl)cccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670606 1132978214 /nfs/dbraw/zinc/97/82/14/1132978214.db2.gz HXPFHNUGBYLMGE-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(Br)n1 ZINC001176669895 1132978238 /nfs/dbraw/zinc/97/82/38/1132978238.db2.gz OIQHCIKFJTVWQF-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2cnc(F)c(Br)c2)c1F ZINC001176664456 1132978895 /nfs/dbraw/zinc/97/88/95/1132978895.db2.gz ZZIGQURMAMIGOS-UHFFFAOYSA-N -1 1 337.070 3.850 20 0 EHADMM CC(=O)N1CCCc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc21 ZINC001176671315 1132979944 /nfs/dbraw/zinc/97/99/44/1132979944.db2.gz XHUKMURXOMVHCX-UHFFFAOYSA-N -1 1 336.313 3.852 20 0 EHADMM Cc1nc(-c2cccc(NC(=O)c3ccc([O-])c(F)c3)c2)[nH]c1C ZINC000767330561 1132982532 /nfs/dbraw/zinc/98/25/32/1132982532.db2.gz UHJAOQDKSOQDAP-UHFFFAOYSA-N -1 1 325.343 3.791 20 0 EHADMM CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1c([O-])cccc1Cl ZINC001177424999 1133064188 /nfs/dbraw/zinc/06/41/88/1133064188.db2.gz FTGDWCJJGPKURA-ZDUSSCGKSA-N -1 1 341.835 3.533 20 0 EHADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1N1CCSCC1 ZINC000767931577 1133071584 /nfs/dbraw/zinc/07/15/84/1133071584.db2.gz NKLGFIRYNMDPFI-UHFFFAOYSA-N -1 1 346.427 3.645 20 0 EHADMM Cc1ccc2oc(C(=O)NCCc3c(F)cc([O-])cc3F)cc2c1 ZINC001178785204 1133198921 /nfs/dbraw/zinc/19/89/21/1133198921.db2.gz PNSCCNYIHGNMRP-UHFFFAOYSA-N -1 1 331.318 3.698 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(C)=O)c(C)c1C ZINC000780421304 1133210852 /nfs/dbraw/zinc/21/08/52/1133210852.db2.gz ZKIYRFSAJKZWGN-UHFFFAOYSA-N -1 1 347.436 3.624 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1c[nH]nc1-c1ccc(F)cc1 ZINC001179654999 1133267618 /nfs/dbraw/zinc/26/76/18/1133267618.db2.gz BKDRXMDGLWNFHF-UHFFFAOYSA-N -1 1 349.724 3.966 20 0 EHADMM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cc(F)cc(F)c1F ZINC001206388841 1133268209 /nfs/dbraw/zinc/26/82/09/1133268209.db2.gz GYKYFJSRBAVDTM-UHFFFAOYSA-N -1 1 326.274 3.890 20 0 EHADMM COc1cc(CC(=O)Nc2cccc(C(F)(F)F)c2[O-])ccc1F ZINC001180426090 1133368379 /nfs/dbraw/zinc/36/83/79/1133368379.db2.gz SSEHSCKUFGOLOS-UHFFFAOYSA-N -1 1 343.276 3.740 20 0 EHADMM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])c1nc2ccccc2o1 ZINC000746571223 1133794923 /nfs/dbraw/zinc/79/49/23/1133794923.db2.gz SZSXPJYFHCFKGO-SNVBAGLBSA-N -1 1 330.771 3.720 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)[C@H]1CC12CCC(F)(F)CC2 ZINC001183549043 1133822867 /nfs/dbraw/zinc/82/28/67/1133822867.db2.gz XOQCIIJRLUUMLP-CYBMUJFWSA-N -1 1 347.365 3.732 20 0 EHADMM [O-]c1ccc(CNc2cc(Cl)c3c(c2)OCCO3)c(F)c1F ZINC001184440416 1133937626 /nfs/dbraw/zinc/93/76/26/1133937626.db2.gz SAFMSKMENWLRDD-UHFFFAOYSA-N -1 1 327.714 3.707 20 0 EHADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1nc2ccccc2o1 ZINC000746701226 1134021274 /nfs/dbraw/zinc/02/12/74/1134021274.db2.gz IYQUEMIFMFNYRO-JTQLQIEISA-N -1 1 330.771 3.720 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)ccc1Cl ZINC001185529949 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O=C(Nc1nc(Cl)ccc1[O-])c1ccc(Oc2ccccc2)nc1 ZINC000790057435 1134366620 /nfs/dbraw/zinc/36/66/20/1134366620.db2.gz XBOMGWKTXHGIAK-UHFFFAOYSA-N -1 1 341.754 3.880 20 0 EHADMM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000790239476 1134383882 /nfs/dbraw/zinc/38/38/82/1134383882.db2.gz NMHXNTXGDKNNAY-UHFFFAOYSA-N -1 1 346.711 3.730 20 0 EHADMM O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1[O-] ZINC000790536326 1134433038 /nfs/dbraw/zinc/43/30/38/1134433038.db2.gz IRECKNNSFDKGMG-UHFFFAOYSA-N -1 1 348.402 3.634 20 0 EHADMM O=C(Nc1ccccc1-c1nccs1)c1ncc(C(F)(F)F)[n-]1 ZINC001188288919 1134444914 /nfs/dbraw/zinc/44/49/14/1134444914.db2.gz PBUHHOROFVFHSJ-UHFFFAOYSA-N -1 1 338.314 3.804 20 0 EHADMM O=C(Nc1ccccc1-c1nccs1)c1nc(C(F)(F)F)c[n-]1 ZINC001188288919 1134444916 /nfs/dbraw/zinc/44/49/16/1134444916.db2.gz PBUHHOROFVFHSJ-UHFFFAOYSA-N -1 1 338.314 3.804 20 0 EHADMM COc1ccc(NC(=O)Nc2cc(F)c([O-])c(F)c2)cc1Cl ZINC001188473155 1134470566 /nfs/dbraw/zinc/47/05/66/1134470566.db2.gz RXJQZADOMQQVPP-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM Cc1csc([N-]S(=O)(=O)Cc2cccc(Br)c2)c1 ZINC001188648832 1134487346 /nfs/dbraw/zinc/48/73/46/1134487346.db2.gz RZZRRQWPZYQRIA-UHFFFAOYSA-N -1 1 346.271 3.761 20 0 EHADMM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cc2c(s1)CCCC2 ZINC001189277397 1134567054 /nfs/dbraw/zinc/56/70/54/1134567054.db2.gz AQHRFDVMEXIWFZ-UHFFFAOYSA-N -1 1 343.420 3.847 20 0 EHADMM CCOC(=O)c1ccc(SCC(=O)c2ccc([O-])cc2)c(F)c1 ZINC001189601035 1134601357 /nfs/dbraw/zinc/60/13/57/1134601357.db2.gz JMGGJCSPPOIFEN-UHFFFAOYSA-N -1 1 334.368 3.683 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001189948735 1134640711 /nfs/dbraw/zinc/64/07/11/1134640711.db2.gz JRHABPHEOQFCCV-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM Cc1c(O)cccc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189986365 1134646853 /nfs/dbraw/zinc/64/68/53/1134646853.db2.gz QSBLLSCURPVJBC-UHFFFAOYSA-N -1 1 349.305 3.659 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1Cl ZINC001190396503 1134691087 /nfs/dbraw/zinc/69/10/87/1134691087.db2.gz XLIJEATYUGMLQW-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CC(C)Oc1ccc2ccccc2c1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170229807 1134724442 /nfs/dbraw/zinc/72/44/42/1134724442.db2.gz CUYJUDREDALDRA-UHFFFAOYSA-N -1 1 335.367 3.743 20 0 EHADMM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccncc1 ZINC001190845036 1134757949 /nfs/dbraw/zinc/75/79/49/1134757949.db2.gz BRNKLGUJVPTMQR-UHFFFAOYSA-N -1 1 326.377 3.675 20 0 EHADMM O=S(=O)([N-]c1ccc(C(F)(F)F)c(Cl)c1)c1ccncc1 ZINC001190888006 1134763652 /nfs/dbraw/zinc/76/36/52/1134763652.db2.gz PLTDHAUGOMKSAB-UHFFFAOYSA-N -1 1 336.722 3.555 20 0 EHADMM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccncc3)cc2)cc1 ZINC001190896918 1134765721 /nfs/dbraw/zinc/76/57/21/1134765721.db2.gz WDGZASJSMPRHOT-UHFFFAOYSA-N -1 1 340.404 3.558 20 0 EHADMM CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cc(=O)oc3cc([O-])ccc23)C1(C)C ZINC000792672019 1134775304 /nfs/dbraw/zinc/77/53/04/1134775304.db2.gz CAHZIHIGMUJQGK-QAPCUYQASA-N -1 1 342.391 3.780 20 0 EHADMM COc1cc(C(=O)NC2(c3cccc(C)c3)CC2)cc(Cl)c1[O-] ZINC001191158430 1134804237 /nfs/dbraw/zinc/80/42/37/1134804237.db2.gz RXBUVBFNZFCJRL-UHFFFAOYSA-N -1 1 331.799 3.782 20 0 EHADMM CCc1ccc(NC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)cn1 ZINC001191490251 1134872474 /nfs/dbraw/zinc/87/24/74/1134872474.db2.gz YCRMPWZNVCSXEQ-UHFFFAOYSA-N -1 1 346.386 3.833 20 0 EHADMM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC001191652932 1134899292 /nfs/dbraw/zinc/89/92/92/1134899292.db2.gz TUPNZWACDZRUSJ-UHFFFAOYSA-N -1 1 348.468 3.685 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Nc2cc(C)ccc2Cl)c1 ZINC001191703081 1134901153 /nfs/dbraw/zinc/90/11/53/1134901153.db2.gz PWVFJFPTKHAHJO-UHFFFAOYSA-N -1 1 334.759 3.785 20 0 EHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1cc(F)c([O-])c(F)c1 ZINC001192176088 1134982049 /nfs/dbraw/zinc/98/20/49/1134982049.db2.gz CIIGLTXMTLIABF-UHFFFAOYSA-N -1 1 330.237 3.916 20 0 EHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1cc(F)c([O-])cc1F ZINC001192182567 1134982898 /nfs/dbraw/zinc/98/28/98/1134982898.db2.gz QNNKFWZUGDLRFX-UHFFFAOYSA-N -1 1 330.237 3.916 20 0 EHADMM O=C(Nc1ccc(-c2cccnc2)cc1)c1c(F)ccc([O-])c1F ZINC001192541360 1135032392 /nfs/dbraw/zinc/03/23/92/1135032392.db2.gz UMKLGLMDUBORCT-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM C[C@H](NC(=O)c1cc([O-])cc(F)c1F)c1nc(-c2ccccc2)c[nH]1 ZINC001192679627 1135044853 /nfs/dbraw/zinc/04/48/53/1135044853.db2.gz XZJATVBDPADEGO-JTQLQIEISA-N -1 1 343.333 3.552 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194455972 1135269597 /nfs/dbraw/zinc/26/95/97/1135269597.db2.gz YCBZOLXBFACSEF-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM CC[C@@H](C)COC(=O)Nc1ccc(I)cc1[O-] ZINC001194804107 1135322416 /nfs/dbraw/zinc/32/24/16/1135322416.db2.gz HPJPUGUJGPARKD-MRVPVSSYSA-N -1 1 349.168 3.591 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cncc(C3CC3)c2)c(C)c1C ZINC001194842797 1135335325 /nfs/dbraw/zinc/33/53/25/1135335325.db2.gz BVFUXODMCRSSLC-UHFFFAOYSA-N -1 1 346.452 3.694 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)Oc1ccc(F)cc1 ZINC001195043956 1135358584 /nfs/dbraw/zinc/35/85/84/1135358584.db2.gz NXRYNMXWTOMGRI-UHFFFAOYSA-N -1 1 326.121 3.905 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2c[nH]c3ccc(Br)cc23)n1 ZINC001195322340 1135405176 /nfs/dbraw/zinc/40/51/76/1135405176.db2.gz MSVMQZVGRUTSMJ-UHFFFAOYSA-N -1 1 346.184 3.592 20 0 EHADMM O=C(c1cc([O-])cnc1Cl)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001195306375 1135411128 /nfs/dbraw/zinc/41/11/28/1135411128.db2.gz YGVOSSSOMDPLOH-CQSZACIVSA-N -1 1 338.741 3.696 20 0 EHADMM O=C(NCCc1ccc2ccccc2c1)c1cc([O-])cnc1Cl ZINC001195313195 1135411855 /nfs/dbraw/zinc/41/18/55/1135411855.db2.gz SCCWIMYVMCEWNY-UHFFFAOYSA-N -1 1 326.783 3.566 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC001195484551 1135432178 /nfs/dbraw/zinc/43/21/78/1135432178.db2.gz NSRKTBRQAJXOGY-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cccc(Br)c1Cl ZINC001195492154 1135433312 /nfs/dbraw/zinc/43/33/12/1135433312.db2.gz CXFHRCOGZADKGX-UHFFFAOYSA-N -1 1 337.626 3.545 20 0 EHADMM Cc1cc(F)ccc1NC(=S)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001196132198 1135519690 /nfs/dbraw/zinc/51/96/90/1135519690.db2.gz QBDSCMBGBQXXRJ-UHFFFAOYSA-N -1 1 342.399 3.834 20 0 EHADMM Cc1ccc(C(C)(C)CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000747382410 1135532041 /nfs/dbraw/zinc/53/20/41/1135532041.db2.gz RTBXJRDFHSXGJS-UHFFFAOYSA-N -1 1 341.455 3.630 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ncc2Cl)c(F)c1 ZINC001196353400 1135550075 /nfs/dbraw/zinc/55/00/75/1135550075.db2.gz QBSAUSHHHFYRSV-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2[S-])c(F)c1 ZINC001196380022 1135552298 /nfs/dbraw/zinc/55/22/98/1135552298.db2.gz IKJNOUJZEGVOMR-UHFFFAOYSA-N -1 1 331.821 3.877 20 0 EHADMM COc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196384446 1135552913 /nfs/dbraw/zinc/55/29/13/1135552913.db2.gz NUHFDOJHCNKPLF-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000808111960 1135618671 /nfs/dbraw/zinc/61/86/71/1135618671.db2.gz KHQCUPOMOYYBIG-UHFFFAOYSA-N -1 1 327.352 3.571 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(NC2=CC[C@H](C(F)(F)F)CC2)c1 ZINC001196886106 1135621385 /nfs/dbraw/zinc/62/13/85/1135621385.db2.gz CKICVNCPERZFMT-JTQLQIEISA-N -1 1 349.374 3.844 20 0 EHADMM COc1ccc(-c2nc(C)sc2CC(=O)[N-]OC2CCCC2)cc1 ZINC000867222912 1135641115 /nfs/dbraw/zinc/64/11/15/1135641115.db2.gz PBXPDLILTOLOAZ-UHFFFAOYSA-N -1 1 346.452 3.660 20 0 EHADMM [O-]c1cc(F)c(NC(=S)NCc2ccc(Cl)cc2)cc1F ZINC001197578345 1135702523 /nfs/dbraw/zinc/70/25/23/1135702523.db2.gz PPQDLJQOOVTUFV-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197672949 1135720756 /nfs/dbraw/zinc/72/07/56/1135720756.db2.gz MHPLIMUMFSWBHP-UHFFFAOYSA-N -1 1 347.770 3.569 20 0 EHADMM Cc1ccc(NC(=S)Nc2cccc(C(=O)N(C)C)c2[O-])c(C)c1 ZINC001197997783 1135765005 /nfs/dbraw/zinc/76/50/05/1135765005.db2.gz ZJNMIWIKWQACDJ-UHFFFAOYSA-N -1 1 343.452 3.520 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cnc(CC(C)C)cc2C)c(C)c1 ZINC001198912564 1135866778 /nfs/dbraw/zinc/86/67/78/1135866778.db2.gz VSFNWVOKFTUTHZ-UHFFFAOYSA-N -1 1 348.468 3.706 20 0 EHADMM COC(=O)Cc1cccc(OC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000810577554 1135977532 /nfs/dbraw/zinc/97/75/32/1135977532.db2.gz BEIXBNCQLIREMF-UHFFFAOYSA-N -1 1 349.795 3.818 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2nc(F)ccc2F)c(C)c1C ZINC001201792685 1136062859 /nfs/dbraw/zinc/06/28/59/1136062859.db2.gz NSFLFFOFKXMVFY-UHFFFAOYSA-N -1 1 340.395 3.703 20 0 EHADMM O=C(Nc1nc(Br)ccc1[O-])c1cccc(Cl)c1F ZINC000121600099 1136064553 /nfs/dbraw/zinc/06/45/53/1136064553.db2.gz MHOJVVSDSFOANQ-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1sc(Br)nc1C ZINC000813402476 1136327826 /nfs/dbraw/zinc/32/78/26/1136327826.db2.gz LXNJYRHIMLUGLI-UHFFFAOYSA-N -1 1 342.218 3.640 20 0 EHADMM CCOC(=O)c1nc(NC(=O)c2ccc(C(C)C)cc2)[n-]c1Cl ZINC001134100859 1136406791 /nfs/dbraw/zinc/40/67/91/1136406791.db2.gz LJVANQZOJBCHEG-UHFFFAOYSA-N -1 1 335.791 3.616 20 0 EHADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111668708 1136570143 /nfs/dbraw/zinc/57/01/43/1136570143.db2.gz XHLVAAZXDBQYHS-QMTHXVAHSA-N -1 1 344.798 3.892 20 0 EHADMM Cc1nn(CC(F)F)c(C)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675945 1136604813 /nfs/dbraw/zinc/60/48/13/1136604813.db2.gz GBYDIKRXJJAQEZ-UHFFFAOYSA-N -1 1 347.724 3.515 20 0 EHADMM COc1ccc([C@H]2CCCN2C(=O)c2cccc([O-])c2F)cc1OC ZINC001135223103 1136639181 /nfs/dbraw/zinc/63/91/81/1136639181.db2.gz CJADWDNXFGGTCP-CQSZACIVSA-N -1 1 345.370 3.526 20 0 EHADMM O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccccc1[O-] ZINC000113125854 1136677675 /nfs/dbraw/zinc/67/76/75/1136677675.db2.gz ATQFZJHTTLRCER-UHFFFAOYSA-N -1 1 341.754 3.880 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC001135439925 1136689218 /nfs/dbraw/zinc/68/92/18/1136689218.db2.gz MUQFQIVFEYEBNI-UHFFFAOYSA-N -1 1 331.393 3.528 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000816740993 1136751137 /nfs/dbraw/zinc/75/11/37/1136751137.db2.gz TZJNXMPZZWAOOI-UHFFFAOYSA-N -1 1 347.296 3.760 20 0 EHADMM CCN(CCOc1ccccc1OC)C(=O)c1c([O-])cccc1Cl ZINC000856310568 1136774711 /nfs/dbraw/zinc/77/47/11/1136774711.db2.gz AHHWLADJKZRBNI-UHFFFAOYSA-N -1 1 349.814 3.595 20 0 EHADMM Cc1nc(-c2ccc(C)cc2)c(CC(=O)[N-]OCC2CCC2)s1 ZINC000856342877 1136778532 /nfs/dbraw/zinc/77/85/32/1136778532.db2.gz OUNXXSQSMKKIQK-UHFFFAOYSA-N -1 1 330.453 3.817 20 0 EHADMM O=C(NCCc1cccc(F)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001135862276 1136793295 /nfs/dbraw/zinc/79/32/95/1136793295.db2.gz JDOQXHJQHDVLJA-UHFFFAOYSA-N -1 1 327.277 3.523 20 0 EHADMM CCc1ccc(CN(C(=O)c2cc(C)cc(C=O)c2[O-])C2CC2)cc1 ZINC001136181790 1136906044 /nfs/dbraw/zinc/90/60/44/1136906044.db2.gz YXASDXXOCLBTPB-UHFFFAOYSA-N -1 1 337.419 3.880 20 0 EHADMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000820403269 1136990480 /nfs/dbraw/zinc/99/04/80/1136990480.db2.gz SUCBIOXKXULBOZ-CYBMUJFWSA-N -1 1 338.411 3.704 20 0 EHADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)c2c(C)cccc2C)c1 ZINC000820440708 1136992290 /nfs/dbraw/zinc/99/22/90/1136992290.db2.gz NIDIBHGVBZUOKZ-IZHWHUGBSA-N -1 1 346.448 3.724 20 0 EHADMM O=C(NCc1cccc2cccnc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001136468116 1137032002 /nfs/dbraw/zinc/03/20/02/1137032002.db2.gz AMVFPOVPSZDOIB-UHFFFAOYSA-N -1 1 346.308 3.889 20 0 EHADMM CCOc1cc2c(cc1NC(=O)c1ccc(F)c([O-])c1)O[C@@H](C)C2 ZINC001136514606 1137044065 /nfs/dbraw/zinc/04/40/65/1137044065.db2.gz MJRHLMGNWRKPRP-JTQLQIEISA-N -1 1 331.343 3.506 20 0 EHADMM CC[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3cc([O-])c(F)cc3F)cc2C1 ZINC000822542451 1137064284 /nfs/dbraw/zinc/06/42/84/1137064284.db2.gz APWBRYYIBIJDSV-VIFPVBQESA-N -1 1 348.349 3.538 20 0 EHADMM O=C(NCCc1cccc(F)c1F)c1ccc(C(F)(F)F)c([O-])c1 ZINC001136764853 1137109839 /nfs/dbraw/zinc/10/98/39/1137109839.db2.gz RZGJIHORYXJHLD-UHFFFAOYSA-N -1 1 345.267 3.662 20 0 EHADMM COc1ccc(-c2ccc(CNC(=O)c3ncc(C)cc3[O-])cc2)cc1 ZINC001136772144 1137111101 /nfs/dbraw/zinc/11/11/01/1137111101.db2.gz UHSVXBNZMDQLQV-UHFFFAOYSA-N -1 1 348.402 3.701 20 0 EHADMM CCOc1cc(C(=O)Nc2n[nH]c(C3CC3)c2C)cc(Cl)c1[O-] ZINC001143792568 1137200335 /nfs/dbraw/zinc/20/03/35/1137200335.db2.gz IVZQWSDXCQYIHA-UHFFFAOYSA-N -1 1 335.791 3.606 20 0 EHADMM Cc1nc(SC[C@H](O)c2ccc(Cl)cc2)[n-]c(=O)c1C1CC1 ZINC000865373160 1137278272 /nfs/dbraw/zinc/27/82/72/1137278272.db2.gz IDAMBMLSHOJPBH-ZDUSSCGKSA-N -1 1 336.844 3.847 20 0 EHADMM [O-]c1cc(F)c(CN(Cc2cccnc2)Cc2cccnc2)c(F)c1 ZINC001144555100 1137308849 /nfs/dbraw/zinc/30/88/49/1137308849.db2.gz VMRSQQQBKPURCY-UHFFFAOYSA-N -1 1 341.361 3.663 20 0 EHADMM Cc1ccc(C)c(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)c1 ZINC001144646646 1137322097 /nfs/dbraw/zinc/32/20/97/1137322097.db2.gz FQBPPZMNYBHISY-UHFFFAOYSA-N -1 1 332.394 3.609 20 0 EHADMM C[C@@H](O)[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccc1F ZINC001144794919 1137349097 /nfs/dbraw/zinc/34/90/97/1137349097.db2.gz USHJKUUQHGLDFR-KZULUSFZSA-N -1 1 339.366 3.536 20 0 EHADMM O=C(Nc1cncc2c1CCCC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC001147248211 1137402651 /nfs/dbraw/zinc/40/26/51/1137402651.db2.gz KUASCBIZCGZCKS-UHFFFAOYSA-N -1 1 336.313 3.937 20 0 EHADMM CC(C)n1c(CNC(=O)c2ccc(Cl)cc2[O-])nc2ccccc21 ZINC001147783159 1137412761 /nfs/dbraw/zinc/41/27/61/1137412761.db2.gz DJVUOXZWRHWEFG-UHFFFAOYSA-N -1 1 343.814 3.906 20 0 EHADMM Cc1ncc(CO)c(C(=O)Nc2ccccc2SC(C)(C)C)c1[O-] ZINC001147842618 1137413630 /nfs/dbraw/zinc/41/36/30/1137413630.db2.gz FZQQDPYNIGPMCV-UHFFFAOYSA-N -1 1 346.452 3.731 20 0 EHADMM COc1ccc(C(C)(C)NC(=O)c2ccc(Cl)cc2[O-])cc1F ZINC001147938034 1137414985 /nfs/dbraw/zinc/41/49/85/1137414985.db2.gz ZOTDGERWQIHDCD-UHFFFAOYSA-N -1 1 337.778 3.858 20 0 EHADMM Cc1cc(N(C)C)cc(C)c1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000868787873 1137423741 /nfs/dbraw/zinc/42/37/41/1137423741.db2.gz LPRHPLBJPJBLDJ-UHFFFAOYSA-N -1 1 334.366 3.534 20 0 EHADMM Cc1ccccc1CC1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001148456777 1137425064 /nfs/dbraw/zinc/42/50/64/1137425064.db2.gz QPNHESZVOXBBDW-UHFFFAOYSA-N -1 1 347.414 3.874 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001148688081 1137430932 /nfs/dbraw/zinc/43/09/32/1137430932.db2.gz TVGBGOZTGXSGRZ-UHFFFAOYSA-N -1 1 337.753 3.639 20 0 EHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CC2(C1)CC(F)(F)C2 ZINC001148860983 1137436424 /nfs/dbraw/zinc/43/64/24/1137436424.db2.gz FRPPELIFNROFET-UHFFFAOYSA-N -1 1 329.346 3.931 20 0 EHADMM CC1(C)C[C@H](CNC(=O)c2cccc(-c3ccccc3)c2[O-])CCO1 ZINC001148873273 1137437121 /nfs/dbraw/zinc/43/71/21/1137437121.db2.gz QWLDUQPCBZIBSM-OAHLLOKOSA-N -1 1 339.435 3.994 20 0 EHADMM O=C(COC(=O)c1ccc([O-])cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000869463921 1137452782 /nfs/dbraw/zinc/45/27/82/1137452782.db2.gz ADRGMSVMXGNZJD-AOOOYVTPSA-N -1 1 348.292 3.626 20 0 EHADMM C[C@@H](OC(=O)Cc1ccc([O-])c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000869736791 1137464752 /nfs/dbraw/zinc/46/47/52/1137464752.db2.gz PYDUGNUJOCLHMC-SECBINFHSA-N -1 1 338.791 3.573 20 0 EHADMM O=C(NOCCCC(F)(F)F)c1c([O-])cnc2ccc(Cl)cc21 ZINC000871216227 1137527772 /nfs/dbraw/zinc/52/77/72/1137527772.db2.gz UHVHLGYSFIIUNR-UHFFFAOYSA-N -1 1 348.708 3.598 20 0 EHADMM Cc1nc(Cl)cc(-n2[n-]c(Cc3ccccc3)c(C(C)C)c2=O)n1 ZINC000871956418 1137563746 /nfs/dbraw/zinc/56/37/46/1137563746.db2.gz RLNWDYIGQSXYDE-KRWDZBQOSA-N -1 1 342.830 3.656 20 0 EHADMM Cc1ccc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C(=O)[O-] ZINC000872158323 1137574367 /nfs/dbraw/zinc/57/43/67/1137574367.db2.gz AHRIGVIBRBJTAW-BSEYFRJRSA-N -1 1 345.464 3.624 20 0 EHADMM C[C@H](CCCc1cccnc1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000873037959 1137588672 /nfs/dbraw/zinc/58/86/72/1137588672.db2.gz GFSMCBVCCLSZRZ-CYBMUJFWSA-N -1 1 347.846 3.651 20 0 EHADMM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000874133323 1137610832 /nfs/dbraw/zinc/61/08/32/1137610832.db2.gz BXAGJKGCTAGKKP-UHFFFAOYSA-N -1 1 345.224 3.729 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)co1 ZINC000874443031 1137614185 /nfs/dbraw/zinc/61/41/85/1137614185.db2.gz YVRGQFWWRANQLM-UHFFFAOYSA-N -1 1 342.424 3.667 20 0 EHADMM O=C(Nc1ccc2[nH]nnc2c1)c1cc(Cl)c2ccccc2c1[O-] ZINC001137189211 1137860413 /nfs/dbraw/zinc/86/04/13/1137860413.db2.gz KPYCESJNYVDMHV-UHFFFAOYSA-N -1 1 338.754 3.722 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc2c1CCCC2 ZINC000883955068 1137882855 /nfs/dbraw/zinc/88/28/55/1137882855.db2.gz GUJGCDQWYJRBIM-UHFFFAOYSA-N -1 1 325.412 3.745 20 0 EHADMM Cc1cc(Cl)n(-c2ccc(-c3nc(=O)c4sccc4[n-]3)cc2)n1 ZINC000133276130 1137883118 /nfs/dbraw/zinc/88/31/18/1137883118.db2.gz AZRDDHNUUVLIGY-UHFFFAOYSA-N -1 1 342.811 3.799 20 0 EHADMM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000112020275 1137906238 /nfs/dbraw/zinc/90/62/38/1137906238.db2.gz MGKZTCNGUVXZJU-UHFFFAOYSA-N -1 1 342.395 3.643 20 0 EHADMM C[C@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@H]1C ZINC000332037206 1137929443 /nfs/dbraw/zinc/92/94/43/1137929443.db2.gz WDILWIYQNKFINW-UWVGGRQHSA-N -1 1 349.228 3.573 20 0 EHADMM Cc1cnc(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c([O-])c1 ZINC000332247817 1137937193 /nfs/dbraw/zinc/93/71/93/1137937193.db2.gz BSSHDKUWKQUINW-ZDUSSCGKSA-N -1 1 345.468 3.695 20 0 EHADMM CN1CCOc2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc21 ZINC001137207309 1137947231 /nfs/dbraw/zinc/94/72/31/1137947231.db2.gz IGHPXINLSJEQRZ-UHFFFAOYSA-N -1 1 334.375 3.626 20 0 EHADMM O=S(=O)([N-][C@@H](c1cccs1)C1CC1)c1ccc(C(F)F)o1 ZINC000884902240 1137977012 /nfs/dbraw/zinc/97/70/12/1137977012.db2.gz SRXHSCGMUMCFMG-GFCCVEGCSA-N -1 1 333.381 3.708 20 0 EHADMM O=C([N-][C@H]1CCCc2cccnc21)C(F)(F)c1c(F)cccc1F ZINC000885389841 1137998313 /nfs/dbraw/zinc/99/83/13/1137998313.db2.gz YWKXMCYFFVVIJA-ZDUSSCGKSA-N -1 1 338.304 3.645 20 0 EHADMM Cc1nsc(NC2CC2)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678452 1138018250 /nfs/dbraw/zinc/01/82/50/1138018250.db2.gz PTZZNSYFUGAAOH-UHFFFAOYSA-N -1 1 341.795 3.776 20 0 EHADMM CC(C)(C)OCc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)no1 ZINC000885678560 1138018291 /nfs/dbraw/zinc/01/82/91/1138018291.db2.gz RTRAVOHSPDDWCF-UHFFFAOYSA-N -1 1 342.754 3.740 20 0 EHADMM Cc1csc(C[C@@H]2CCN(C(=O)c3c([O-])cccc3Cl)C2)n1 ZINC000886227313 1138060992 /nfs/dbraw/zinc/06/09/92/1138060992.db2.gz AEVJEQRGEQRCOJ-NSHDSACASA-N -1 1 336.844 3.515 20 0 EHADMM COc1ccc([C@H](C)CC(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC000886266354 1138062827 /nfs/dbraw/zinc/06/28/27/1138062827.db2.gz IZEWANGGQGFJIK-GFCCVEGCSA-N -1 1 349.377 3.532 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C3OCCO3)c2)c1 ZINC000886427526 1138075224 /nfs/dbraw/zinc/07/52/24/1138075224.db2.gz NHRYRQAJDJXYGP-UHFFFAOYSA-N -1 1 347.436 3.656 20 0 EHADMM CC(C)[C@@H](CC(=O)NCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000066639894 1138076824 /nfs/dbraw/zinc/07/68/24/1138076824.db2.gz HGSOKAZLXUVERT-OAHLLOKOSA-N -1 1 346.500 3.968 20 0 EHADMM CCCC(=CC(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C)C1)CCC ZINC000092414763 1138227679 /nfs/dbraw/zinc/22/76/79/1138227679.db2.gz FEMJNRUKWFOKSW-CQSZACIVSA-N -1 1 336.505 3.710 20 0 EHADMM Cc1c(=O)[n-]c(SC[C@H]2CCCC[C@H]2O)nc1-c1ccccc1 ZINC000334025963 1138362877 /nfs/dbraw/zinc/36/28/77/1138362877.db2.gz HGVIXLRVLDPLFU-HUUCEWRRSA-N -1 1 330.453 3.801 20 0 EHADMM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cncs1 ZINC000336911665 1138425770 /nfs/dbraw/zinc/42/57/70/1138425770.db2.gz IVHYREHSQKOXKU-UHFFFAOYSA-N -1 1 334.451 3.539 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000337767901 1138663692 /nfs/dbraw/zinc/66/36/92/1138663692.db2.gz UDQNDHVKGSZJOB-UHFFFAOYSA-N -1 1 346.433 3.864 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc(C[S@](C)=O)c2)c([O-])c1 ZINC000265225326 1138771813 /nfs/dbraw/zinc/77/18/13/1138771813.db2.gz YJUBVQHNSNYTBS-QHCPKHFHSA-N -1 1 331.437 3.646 20 0 EHADMM COc1cnc([C@H]2CCCN2C(=O)CCC2CCCCCC2)[n-]c1=O ZINC000889786617 1139268271 /nfs/dbraw/zinc/26/82/71/1139268271.db2.gz NJNATJGISHITRO-OAHLLOKOSA-N -1 1 347.459 3.605 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H](C)[C@@H]2C)cc1 ZINC000177118751 1139598115 /nfs/dbraw/zinc/59/81/15/1139598115.db2.gz SDGLOKFIAFIZIA-KGLIPLIRSA-N -1 1 344.484 3.563 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)cc(Cl)c1[O-] ZINC000186715263 1140218590 /nfs/dbraw/zinc/21/85/90/1140218590.db2.gz IWRBDSKECBPBTD-NSHDSACASA-N -1 1 334.803 3.673 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000191888344 1140492181 /nfs/dbraw/zinc/49/21/81/1140492181.db2.gz GGRKDNCNHIRHCW-UHFFFAOYSA-N -1 1 339.844 3.638 20 0 EHADMM O=C(Nc1ccc(N2CCCC2)nc1)Nc1ccc([O-])c(Cl)c1 ZINC000192201845 1140510314 /nfs/dbraw/zinc/51/03/14/1140510314.db2.gz CRLMBWWJMMUVDP-UHFFFAOYSA-N -1 1 332.791 3.685 20 0 EHADMM Cc1cc(C)n(CCSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000274360798 1141503881 /nfs/dbraw/zinc/50/38/81/1141503881.db2.gz WHZUZPCPDMCLOV-UHFFFAOYSA-N -1 1 340.452 3.763 20 0 EHADMM O=[S@](C=C([O-])c1ccc[nH]1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000339152324 1141511632 /nfs/dbraw/zinc/51/16/32/1141511632.db2.gz GZUUOKUWGDKGHA-YADARESESA-N -1 1 341.407 3.875 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000055595178 214333170 /nfs/dbraw/zinc/33/31/70/214333170.db2.gz MXXPJIRAKWOZFB-UHFFFAOYSA-N -1 1 349.452 3.729 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1Cl ZINC000055616266 214334009 /nfs/dbraw/zinc/33/40/09/214334009.db2.gz UEGSCGMMFBYGKC-UHFFFAOYSA-N -1 1 325.817 3.772 20 0 EHADMM O=C([O-])[C@@H](c1ccc(Br)cc1F)N1CCCCCC1 ZINC000038086542 213201287 /nfs/dbraw/zinc/20/12/87/213201287.db2.gz JVDYLTHOIICYIV-CYBMUJFWSA-N -1 1 330.197 3.590 20 0 EHADMM CN(Cc1ccc(Br)s1)Cc1ccc(C(=O)[O-])cc1 ZINC000037918874 213173529 /nfs/dbraw/zinc/17/35/29/213173529.db2.gz RDNYVCHZQNRJJE-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM Cc1ccc(Sc2c3ccccc3nnc2-c2nn[n-]n2)cc1C ZINC000737368484 598934968 /nfs/dbraw/zinc/93/49/68/598934968.db2.gz KZTSMBNHVAZVOA-UHFFFAOYSA-N -1 1 334.408 3.578 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccccc2OCc2ccncc2)cc1 ZINC000819683735 597137453 /nfs/dbraw/zinc/13/74/53/597137453.db2.gz STCNCWDIDSHRAE-UHFFFAOYSA-N -1 1 348.402 3.649 20 0 EHADMM O=C([O-])CCCCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000181554039 597774354 /nfs/dbraw/zinc/77/43/54/597774354.db2.gz WPSFBOCICHMVKO-HNNXBMFYSA-N -1 1 329.400 3.519 20 0 EHADMM CCC[C@H]1CCCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736437623 598613173 /nfs/dbraw/zinc/61/31/73/598613173.db2.gz VWXZSAOBIFKCKY-IUCAKERBSA-N -1 1 326.857 3.747 20 0 EHADMM CCC[C@H]1CCCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736437623 598613174 /nfs/dbraw/zinc/61/31/74/598613174.db2.gz VWXZSAOBIFKCKY-IUCAKERBSA-N -1 1 326.857 3.747 20 0 EHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1nc(-c2ccccc2)cs1 ZINC000736135551 599434018 /nfs/dbraw/zinc/43/40/18/599434018.db2.gz BCUQKHDFJYQSNU-NSHDSACASA-N -1 1 349.423 3.558 20 0 EHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)cs1 ZINC000736135551 599434020 /nfs/dbraw/zinc/43/40/20/599434020.db2.gz BCUQKHDFJYQSNU-NSHDSACASA-N -1 1 349.423 3.558 20 0 EHADMM Cc1cccc2c1CC[C@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822341035 599529009 /nfs/dbraw/zinc/52/90/09/599529009.db2.gz RMHHCPDNWOBLST-QGZVFWFLSA-N -1 1 342.406 3.823 20 0 EHADMM Cc1cccc2c1CC[C@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822341035 599529010 /nfs/dbraw/zinc/52/90/10/599529010.db2.gz RMHHCPDNWOBLST-QGZVFWFLSA-N -1 1 342.406 3.823 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000737084435 599705804 /nfs/dbraw/zinc/70/58/04/599705804.db2.gz ACUJEHPSOMWFSE-GOSISDBHSA-N -1 1 340.423 3.715 20 0 EHADMM CC(C)n1ccn(CN(CCC(=O)[O-])Cc2ccccc2)c1=S ZINC000736532157 599776659 /nfs/dbraw/zinc/77/66/59/599776659.db2.gz OXGQMQOVKDHQLW-UHFFFAOYSA-N -1 1 333.457 3.534 20 0 EHADMM O=C([O-])c1coc(CN2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 ZINC000740269352 599848910 /nfs/dbraw/zinc/84/89/10/599848910.db2.gz NWTDAGJUSLTUNH-GFCCVEGCSA-N -1 1 337.778 3.977 20 0 EHADMM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000739462337 599849873 /nfs/dbraw/zinc/84/98/73/599849873.db2.gz HYXCZSSTPQPMKL-UHFFFAOYSA-N -1 1 347.330 3.773 20 0 EHADMM O=C([O-])c1coc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000740268227 600014508 /nfs/dbraw/zinc/01/45/08/600014508.db2.gz FHSNCENUUMFMGK-QGZVFWFLSA-N -1 1 349.814 3.577 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(SC(F)(F)F)cc2)o1 ZINC000740132186 600525203 /nfs/dbraw/zinc/52/52/03/600525203.db2.gz GBDLCPFUEZJFFG-UHFFFAOYSA-N -1 1 331.315 3.880 20 0 EHADMM COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000832554886 600732257 /nfs/dbraw/zinc/73/22/57/600732257.db2.gz YLBQCHJLRYZDLL-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCC1CCCC1)CC2 ZINC000583149436 600947860 /nfs/dbraw/zinc/94/78/60/600947860.db2.gz QEWGBWZBLFJLGG-KRWDZBQOSA-N -1 1 347.455 3.658 20 0 EHADMM COc1ccc([C@H](NCc2cc(Cl)ccc2Cl)C(=O)[O-])cc1 ZINC000737974822 600953172 /nfs/dbraw/zinc/95/31/72/600953172.db2.gz WUWXCOWKHWOSKM-HNNXBMFYSA-N -1 1 340.206 3.918 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1nc2ccccc2s1)c1ccccc1 ZINC000826055328 601203856 /nfs/dbraw/zinc/20/38/56/601203856.db2.gz YTZWYUQEYRZLFN-SJCJKPOMSA-N -1 1 326.421 3.848 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccc(C)c(F)c2)c(C)c1C(=O)[O-] ZINC000832920823 601500309 /nfs/dbraw/zinc/50/03/09/601500309.db2.gz IAXCRCHAWYHKPZ-DGCLKSJQSA-N -1 1 346.402 3.699 20 0 EHADMM C[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824753006 607533756 /nfs/dbraw/zinc/53/37/56/607533756.db2.gz BCHWYIGCSUMDSA-JTQLQIEISA-N -1 1 331.832 3.910 20 0 EHADMM C[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824753006 607533757 /nfs/dbraw/zinc/53/37/57/607533757.db2.gz BCHWYIGCSUMDSA-JTQLQIEISA-N -1 1 331.832 3.910 20 0 EHADMM CCc1nc2c(s1)[C@H](N(C)Cc1cc(C)c(C(=O)[O-])o1)CCC2 ZINC000569010460 602053669 /nfs/dbraw/zinc/05/36/69/602053669.db2.gz NGENASWEVYVSEG-CYBMUJFWSA-N -1 1 334.441 3.815 20 0 EHADMM Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000740274126 602301252 /nfs/dbraw/zinc/30/12/52/602301252.db2.gz IHRMMYOWFQLYMT-CYBMUJFWSA-N -1 1 349.456 3.533 20 0 EHADMM Cc1cccc2c1OCC[C@H]2NCc1cccc2c1N(C(=O)[O-])CC2 ZINC000830539628 603858216 /nfs/dbraw/zinc/85/82/16/603858216.db2.gz WFFMTTUKUWISDK-QGZVFWFLSA-N -1 1 338.407 3.649 20 0 EHADMM CC1CCC(Oc2cc(CNCc3ccoc3C(=O)[O-])ccn2)CC1 ZINC000833611938 605236643 /nfs/dbraw/zinc/23/66/43/605236643.db2.gz RDWHMHQJHAHLEX-UHFFFAOYSA-N -1 1 344.411 3.620 20 0 EHADMM CC(C)COc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000820103262 606410636 /nfs/dbraw/zinc/41/06/36/606410636.db2.gz RRHGCDZVNVNUGX-UHFFFAOYSA-N -1 1 329.429 3.575 20 0 EHADMM CC(C)[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000820027361 606442938 /nfs/dbraw/zinc/44/29/38/606442938.db2.gz QVZIQRILTVSHNZ-NSHDSACASA-N -1 1 334.836 3.786 20 0 EHADMM CC(C)[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000820027361 606442940 /nfs/dbraw/zinc/44/29/40/606442940.db2.gz QVZIQRILTVSHNZ-NSHDSACASA-N -1 1 334.836 3.786 20 0 EHADMM Cc1ccccc1[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000822350317 606459066 /nfs/dbraw/zinc/45/90/66/606459066.db2.gz CBVJELQFIWOQGG-LLVKDONJSA-N -1 1 346.847 3.627 20 0 EHADMM Cc1ccccc1[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000822350317 606459067 /nfs/dbraw/zinc/45/90/67/606459067.db2.gz CBVJELQFIWOQGG-LLVKDONJSA-N -1 1 346.847 3.627 20 0 EHADMM CC(C)Cn1ncc(NCc2ccc(-c3nn[n-]n3)s2)c1C(C)C ZINC000824285102 608427480 /nfs/dbraw/zinc/42/74/80/608427480.db2.gz XIRCEOAKENISRC-UHFFFAOYSA-N -1 1 345.476 3.516 20 0 EHADMM CC(C)(C)[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC000824072514 946578432 /nfs/dbraw/zinc/57/84/32/946578432.db2.gz WHCHLVBGXMUPTN-OAHLLOKOSA-N -1 1 344.369 3.739 20 0 EHADMM CC(C)(C)[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000824072514 946578440 /nfs/dbraw/zinc/57/84/40/946578440.db2.gz WHCHLVBGXMUPTN-OAHLLOKOSA-N -1 1 344.369 3.739 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc(Oc2ccccc2)c1 ZINC000826522476 948455661 /nfs/dbraw/zinc/45/56/61/948455661.db2.gz CFQNARCXGHISSZ-UHFFFAOYSA-N -1 1 333.351 3.864 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc(Oc2ccccc2)c1 ZINC000826522476 948455667 /nfs/dbraw/zinc/45/56/67/948455667.db2.gz CFQNARCXGHISSZ-UHFFFAOYSA-N -1 1 333.351 3.864 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000390935285 972309190 /nfs/dbraw/zinc/30/91/90/972309190.db2.gz JEDZKFOXRMTHSR-CQSZACIVSA-N -1 1 334.803 3.824 20 0 EHADMM O=C([O-])CC1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000093680634 958249647 /nfs/dbraw/zinc/24/96/47/958249647.db2.gz AVIQMUVUGNUFEU-UHFFFAOYSA-N -1 1 332.227 3.559 20 0 EHADMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137275662 958920687 /nfs/dbraw/zinc/92/06/87/958920687.db2.gz ZBRCTPCXTVHXSQ-JTQLQIEISA-N -1 1 332.625 3.542 20 0 EHADMM O=C([O-])COc1ccccc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC001231788648 960616560 /nfs/dbraw/zinc/61/65/60/960616560.db2.gz DVPCVGHQQFWGKG-QGZVFWFLSA-N -1 1 329.371 3.626 20 0 EHADMM O=C([O-])c1cccc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC001332421339 961567620 /nfs/dbraw/zinc/56/76/20/961567620.db2.gz YLVRNIJPQYBFDM-ROUUACIJSA-N -1 1 329.371 3.534 20 0 EHADMM O=C([O-])[C@@H](C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CCCC1 ZINC001574617909 962239211 /nfs/dbraw/zinc/23/92/11/962239211.db2.gz YGVLIVOEECJQFU-MRXNPFEDSA-N -1 1 341.411 3.660 20 0 EHADMM O=C([O-])c1ccc(CNCc2cc(F)ccc2Br)s1 ZINC000236470787 967777016 /nfs/dbraw/zinc/77/70/16/967777016.db2.gz ZJJPRUOLKKFDHW-UHFFFAOYSA-N -1 1 344.205 3.638 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(F)c(Cl)c2)nc1C1CC1 ZINC000417712945 973966675 /nfs/dbraw/zinc/96/66/75/973966675.db2.gz XVBZXKHHZLTSIR-UHFFFAOYSA-N -1 1 334.778 3.740 20 0 EHADMM O=C([O-])c1coc(CN2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000521886661 974348035 /nfs/dbraw/zinc/34/80/35/974348035.db2.gz GQEGAOXIQXSYOQ-UHFFFAOYSA-N -1 1 335.787 3.675 20 0 EHADMM Cc1occc1CN(C)Cc1cc(Br)ccc1C(=O)[O-] ZINC000563277796 974525155 /nfs/dbraw/zinc/52/51/55/974525155.db2.gz LFRCPABAXYQYKL-UHFFFAOYSA-N -1 1 338.201 3.681 20 0 EHADMM CN(Cc1ccoc1C(=O)[O-])Cc1ccc(OCC(F)(F)F)cc1 ZINC000568414380 974669922 /nfs/dbraw/zinc/66/99/22/974669922.db2.gz JSVUNEUPDFAIKM-UHFFFAOYSA-N -1 1 343.301 3.551 20 0 EHADMM CCCCCN(Cc1ccc(F)cc1)Cc1cnc(C(=O)[O-])cn1 ZINC000629359583 975082214 /nfs/dbraw/zinc/08/22/14/975082214.db2.gz ZWBJYBSTYDXSGA-UHFFFAOYSA-N -1 1 331.391 3.506 20 0 EHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460832249 1032087070 /nfs/dbraw/zinc/08/70/70/1032087070.db2.gz UDFDFXXIDYUSDU-CYBMUJFWSA-N -1 1 337.416 3.951 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2ccsc2C(=O)[O-])cc1F ZINC000656764547 975694732 /nfs/dbraw/zinc/69/47/32/975694732.db2.gz YVKBDLRCMSYHQO-CQSZACIVSA-N -1 1 335.400 3.931 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC001591986382 976608297 /nfs/dbraw/zinc/60/82/97/976608297.db2.gz DEKGPCHEVUMHLP-PBHICJAKSA-N -1 1 346.471 3.667 20 0 EHADMM O=C([O-])[C@H](NC/C=C\c1ccc(F)cc1F)c1cc(F)ccc1F ZINC000756365068 978699667 /nfs/dbraw/zinc/69/96/67/978699667.db2.gz QXVJPOUWOMOAMO-STOZHHMFSA-N -1 1 339.288 3.672 20 0 EHADMM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1Cl ZINC000827718810 978964219 /nfs/dbraw/zinc/96/42/19/978964219.db2.gz YKNGRUDMBVDEOB-LKFCYVNXSA-N -1 1 325.195 3.865 20 0 EHADMM Cc1ccc(OC2CCN(Cc3ccc(/C=C/C(=O)[O-])o3)CC2)cc1 ZINC000901421504 980268026 /nfs/dbraw/zinc/26/80/26/980268026.db2.gz BWCZDWLJGFFGEK-CMDGGOBGSA-N -1 1 341.407 3.729 20 0 EHADMM CC[C@H](N[C@@H](CCO)c1ccccc1F)c1ccc(C(=O)[O-])cc1 ZINC001595280965 980328119 /nfs/dbraw/zinc/32/81/19/980328119.db2.gz GBTDHOZLLFSUIV-ROUUACIJSA-N -1 1 331.387 3.688 20 0 EHADMM O=C([O-])Cc1ccc(CNCc2cscc2C(F)(F)F)cc1 ZINC000901541298 980369749 /nfs/dbraw/zinc/36/97/49/980369749.db2.gz UMVNQAGFOHORLQ-UHFFFAOYSA-N -1 1 329.343 3.684 20 0 EHADMM COCc1ccccc1/C=C(\C)CN[C@@H](C(=O)[O-])c1cccs1 ZINC000901598987 980400459 /nfs/dbraw/zinc/40/04/59/980400459.db2.gz RMJPBFPSXMMGMU-JIIJFUIFSA-N -1 1 331.437 3.713 20 0 EHADMM CC[C@@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1c(C)noc1C ZINC001595298965 980422612 /nfs/dbraw/zinc/42/26/12/980422612.db2.gz GAKFCBILHMYKGZ-MRXNPFEDSA-N -1 1 339.395 3.779 20 0 EHADMM CC[C@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC001595304274 980439033 /nfs/dbraw/zinc/43/90/33/980439033.db2.gz CTUUEEGEIZJNPM-AWEZNQCLSA-N -1 1 336.338 3.622 20 0 EHADMM COc1cc(C(=O)N(C)Cc2cc(C)ccc2C)cc(Cl)c1[O-] ZINC000430186478 1014659877 /nfs/dbraw/zinc/65/98/77/1014659877.db2.gz NLQVZXSCWYBYBM-UHFFFAOYSA-N -1 1 333.815 3.943 20 0 EHADMM CO[C@@H]1CCN(Cc2ccc(-c3ccc(C)cc3)s2)[C@@H](C(=O)[O-])C1 ZINC000902032336 980704364 /nfs/dbraw/zinc/70/43/64/980704364.db2.gz LQZWXAKRKBHGJX-NVXWUHKLSA-N -1 1 345.464 3.788 20 0 EHADMM CC(C)OC1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC000902157719 980761249 /nfs/dbraw/zinc/76/12/49/980761249.db2.gz BMANEDGDMWYIPF-UHFFFAOYSA-N -1 1 345.361 3.793 20 0 EHADMM CC[C@H](c1ccccc1)N1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001595364132 980790817 /nfs/dbraw/zinc/79/08/17/980790817.db2.gz OXHCKLSZYFVBGW-LJQANCHMSA-N -1 1 342.439 3.555 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc(OC(F)(F)F)cc1 ZINC000902354968 980848882 /nfs/dbraw/zinc/84/88/82/980848882.db2.gz QUHVNDBAGMZNPX-VIFPVBQESA-N -1 1 329.274 3.727 20 0 EHADMM CCCOc1ccc(CNCc2cc(C(=O)[O-])c(CC)o2)c(C)c1 ZINC000902406025 980872833 /nfs/dbraw/zinc/87/28/33/980872833.db2.gz NSDJZTQOUXWKEE-UHFFFAOYSA-N -1 1 331.412 3.927 20 0 EHADMM O=C([O-])c1occc1CNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000902436816 980885051 /nfs/dbraw/zinc/88/50/51/980885051.db2.gz LFTMGQGSPRHHKU-UHFFFAOYSA-N -1 1 341.285 3.655 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(F)cc1F)c1ccc(Cl)c(F)c1 ZINC000683172290 1014734404 /nfs/dbraw/zinc/73/44/04/1014734404.db2.gz CBXIZZYTCVWMRR-AWEZNQCLSA-N -1 1 329.705 3.673 20 0 EHADMM CCN(CC)Cc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)o1 ZINC000909834980 981653405 /nfs/dbraw/zinc/65/34/05/981653405.db2.gz PKEPGIWADUVVBO-ZDUSSCGKSA-N -1 1 344.411 3.562 20 0 EHADMM CC[C@H](C(=O)[O-])C(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 ZINC001594759609 981688398 /nfs/dbraw/zinc/68/83/98/981688398.db2.gz PBJPRCZDPXCHQX-AWEZNQCLSA-N -1 1 343.427 3.735 20 0 EHADMM CCCOc1c(CNCc2cccc(C(=O)[O-])c2)cccc1OCC ZINC000683176966 1014760054 /nfs/dbraw/zinc/76/00/54/1014760054.db2.gz ZOEZOJQPZNNPMN-UHFFFAOYSA-N -1 1 343.423 3.862 20 0 EHADMM CCCC[C@H](C(=O)[O-])N1Cc2ccc(C)c(Br)c2C1 ZINC001595630076 981814414 /nfs/dbraw/zinc/81/44/14/981814414.db2.gz UXFPCAJWSLFZDL-CYBMUJFWSA-N -1 1 326.234 3.717 20 0 EHADMM CC[C@@H](C)[C@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)[O-] ZINC001594927934 982529414 /nfs/dbraw/zinc/52/94/14/982529414.db2.gz AAVBODSZZJAJRY-YGRLFVJLSA-N -1 1 331.441 3.552 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000923096764 982721196 /nfs/dbraw/zinc/72/11/96/982721196.db2.gz LREPOPMCFQYWIB-MRXNPFEDSA-N -1 1 346.452 3.776 20 0 EHADMM CCN(Cc1ccc(OC)cc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001596363296 983844630 /nfs/dbraw/zinc/84/46/30/983844630.db2.gz XFUMTGVFJMHTAY-HNNXBMFYSA-N -1 1 343.423 3.569 20 0 EHADMM COc1c(C)cnc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1C ZINC000127016536 1015181057 /nfs/dbraw/zinc/18/10/57/1015181057.db2.gz BKWDRKGYVCJJKQ-UHFFFAOYSA-N -1 1 345.346 3.514 20 0 EHADMM C[C@@H]1COc2ccccc2CN1Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001594607991 986589017 /nfs/dbraw/zinc/58/90/17/986589017.db2.gz PYDLKEYTCGSRFY-OAHLLOKOSA-N -1 1 337.419 3.586 20 0 EHADMM CCOc1ccc2nc(SC[C@@H]3CCCC[C@H]3C(=O)[O-])[nH]c2c1 ZINC001597145973 986909105 /nfs/dbraw/zinc/90/91/05/986909105.db2.gz QCFCXUOAOUCVJN-WCQYABFASA-N -1 1 334.441 3.945 20 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/nfs/dbraw/zinc/31/11/20/990311120.db2.gz XVBVDDJQEWFXSF-UHFFFAOYSA-N -1 1 343.305 3.568 20 0 EHADMM COc1ccccc1C1(NCc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC001599704269 991268217 /nfs/dbraw/zinc/26/82/17/991268217.db2.gz OXECMIDZFQKYLO-UHFFFAOYSA-N -1 1 348.402 3.721 20 0 EHADMM CC(C)[C@H](O)[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001591035738 991354945 /nfs/dbraw/zinc/35/49/45/991354945.db2.gz HANKEFVERATUIH-MSOLQXFVSA-N -1 1 347.842 3.886 20 0 EHADMM CC(C)[C@@H](O)[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001591035739 991355475 /nfs/dbraw/zinc/35/54/75/991355475.db2.gz HANKEFVERATUIH-QZTJIDSGSA-N -1 1 347.842 3.886 20 0 EHADMM CN(Cc1cc(Cl)cn1C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001598531553 992787669 /nfs/dbraw/zinc/78/76/69/992787669.db2.gz WRBKSLHHTKEVJG-UHFFFAOYSA-N -1 1 343.814 3.557 20 0 EHADMM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])sc2C)c(OC)c1 ZINC001599619783 994065285 /nfs/dbraw/zinc/06/52/85/994065285.db2.gz ALXVHMPKJJMYRK-SNVBAGLBSA-N -1 1 335.425 3.623 20 0 EHADMM COc1cccc([C@H](C(=O)[O-])N2CCc3cc(Cl)ccc3C2)c1 ZINC001599649719 994477804 /nfs/dbraw/zinc/47/78/04/994477804.db2.gz IHHSCTFFHYMGQJ-QGZVFWFLSA-N -1 1 331.799 3.533 20 0 EHADMM C[C@](NCc1cc2ccccc2nc1Cl)(C(=O)[O-])c1ccccc1 ZINC001593292159 994675149 /nfs/dbraw/zinc/67/51/49/994675149.db2.gz IRJASXBDHIVHDA-LJQANCHMSA-N -1 1 340.810 3.978 20 0 EHADMM C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cc2c(s1)CCC2 ZINC001593298210 994710975 /nfs/dbraw/zinc/71/09/75/994710975.db2.gz FPOUSSZQEHVCKY-VIFPVBQESA-N -1 1 336.844 3.834 20 0 EHADMM C[C@H](NCc1occc1C(=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC001593317533 994820092 /nfs/dbraw/zinc/82/00/92/994820092.db2.gz QNOZJWDDZIFYRS-NSHDSACASA-N -1 1 333.359 3.757 20 0 EHADMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncccc2F)cc1Cl ZINC000180263934 1015896126 /nfs/dbraw/zinc/89/61/26/1015896126.db2.gz AWBFQVXSBZXXJX-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM C[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC001593353112 994972453 /nfs/dbraw/zinc/97/24/53/994972453.db2.gz NKZJUQCAWKXKOO-UWVGGRQHSA-N -1 1 339.317 3.605 20 0 EHADMM C[C@H](N[C@H]1C[C@H](Sc2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC001593359549 995018539 /nfs/dbraw/zinc/01/85/39/995018539.db2.gz IIRTZSQXHOAZIN-GVXVVHGQSA-N -1 1 334.466 3.815 20 0 EHADMM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000154900147 1015919580 /nfs/dbraw/zinc/91/95/80/1015919580.db2.gz HNMYFQLDZBHIFT-DEOSSOPVSA-N -1 1 349.427 3.831 20 0 EHADMM O=C(c1cncc([O-])c1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000339937393 1015987649 /nfs/dbraw/zinc/98/76/49/1015987649.db2.gz RUBZCDPTTGBMCM-UHFFFAOYSA-N -1 1 328.755 3.881 20 0 EHADMM C[C@@H](Oc1ccccc1CNCc1cnccc1C(C)(C)C)C(=O)[O-] ZINC001593648499 995997739 /nfs/dbraw/zinc/99/77/39/995997739.db2.gz KJQCVUSWOSIRLO-CQSZACIVSA-N -1 1 342.439 3.521 20 0 EHADMM C[C@H](Oc1ccccc1CNc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC001593652579 996018189 /nfs/dbraw/zinc/01/81/89/996018189.db2.gz YMOXGQQEEKYESA-JTQLQIEISA-N -1 1 345.786 3.680 20 0 EHADMM 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O=C(Nc1cc(Br)ccc1F)c1ccc([O-])cc1F ZINC000181900999 1017022876 /nfs/dbraw/zinc/02/28/76/1017022876.db2.gz FDBVIBORGSKROD-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=C(Nc1ncc(Cc2ccccc2)s1)c1c(F)ccc([O-])c1F ZINC000538313570 1032290161 /nfs/dbraw/zinc/29/01/61/1032290161.db2.gz YSCDAGOQKVGVKI-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]NC(=O)c1ccccc1F ZINC000007957636 1032416014 /nfs/dbraw/zinc/41/60/14/1032416014.db2.gz UAJVCZBLGYEBQK-UHFFFAOYSA-N -1 1 346.745 3.609 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000263045014 1032417243 /nfs/dbraw/zinc/41/72/43/1032417243.db2.gz JRRKTDUHCCEYDE-MWLCHTKSSA-N -1 1 335.753 3.901 20 0 EHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3ccnc4ccccc43)c2)c1 ZINC000592824473 1032592504 /nfs/dbraw/zinc/59/25/04/1032592504.db2.gz KUBSOFDURWIAIC-UHFFFAOYSA-N -1 1 329.359 3.666 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2C)cc1 ZINC000147204154 1017973002 /nfs/dbraw/zinc/97/30/02/1017973002.db2.gz 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1019321514 /nfs/dbraw/zinc/32/15/14/1019321514.db2.gz YDJHVBPEQPIJLM-HNNXBMFYSA-N -1 1 338.329 3.714 20 0 EHADMM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cccc([O-])c1Cl ZINC000513325801 1019531955 /nfs/dbraw/zinc/53/19/55/1019531955.db2.gz UOZPFSGRRTUZKE-HOTGVXAUSA-N -1 1 345.826 3.924 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1cc(Cl)sc1Cl ZINC000430024874 1019787811 /nfs/dbraw/zinc/78/78/11/1019787811.db2.gz UXWNBJKCGDUWRV-VHSXEESVSA-N -1 1 348.276 3.889 20 0 EHADMM CCSc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cn1 ZINC000340759619 1019961319 /nfs/dbraw/zinc/96/13/19/1019961319.db2.gz ZVBWOUFYJKEJPV-UHFFFAOYSA-N -1 1 340.408 3.542 20 0 EHADMM CC[C@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580779060 1020005708 /nfs/dbraw/zinc/00/57/08/1020005708.db2.gz VYPNTYAPMRDIPX-UKRRQHHQSA-N -1 1 344.224 3.836 20 0 EHADMM CC[C@]1(C)CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000580779060 1020005721 /nfs/dbraw/zinc/00/57/21/1020005721.db2.gz VYPNTYAPMRDIPX-UKRRQHHQSA-N -1 1 344.224 3.836 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CCc1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1Cl ZINC000507561978 1021362310 /nfs/dbraw/zinc/36/23/10/1021362310.db2.gz DJILMPOQSJEDAR-UHFFFAOYSA-N -1 1 339.844 3.850 20 0 EHADMM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436921754 1021378264 /nfs/dbraw/zinc/37/82/64/1021378264.db2.gz URDFBQGANRQVMQ-SJLPKXTDSA-N -1 1 331.799 3.514 20 0 EHADMM CC(C)c1nc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2s1 ZINC000436947568 1021407603 /nfs/dbraw/zinc/40/76/03/1021407603.db2.gz ZEZMQTGSHJYKRI-UHFFFAOYSA-N -1 1 340.404 3.947 20 0 EHADMM Cc1cnc(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)nc1 ZINC000436945771 1021408745 /nfs/dbraw/zinc/40/87/45/1021408745.db2.gz VFBGCMYKAWERDD-UHFFFAOYSA-N -1 1 346.346 4.000 20 0 EHADMM COc1ccc(-c2nc(Cc3ccc(OC(F)F)cc3)no2)c([O-])c1 ZINC000437005846 1021463326 /nfs/dbraw/zinc/46/33/26/1021463326.db2.gz ZDPBYOSRJNFCRG-UHFFFAOYSA-N -1 1 348.305 3.643 20 0 EHADMM CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000519834107 1021709366 /nfs/dbraw/zinc/70/93/66/1021709366.db2.gz 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1027546090 /nfs/dbraw/zinc/54/60/90/1027546090.db2.gz WJEVCIBLFVCTNG-UHFFFAOYSA-N -1 1 347.436 3.535 20 0 EHADMM COCCOCc1cccc(NC(=O)c2cc(SC)ccc2[O-])c1 ZINC000666692367 1027726150 /nfs/dbraw/zinc/72/61/50/1027726150.db2.gz RLBZJCVTKBFLSK-UHFFFAOYSA-N -1 1 347.436 3.529 20 0 EHADMM COc1cc(-c2noc([C@@H](C)SC)n2)cc(Br)c1[O-] ZINC000445397752 1028297046 /nfs/dbraw/zinc/29/70/46/1028297046.db2.gz LSHIOBOQACPRJE-ZCFIWIBFSA-N -1 1 345.218 3.637 20 0 EHADMM CC1(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCCC1 ZINC000066600065 1028335657 /nfs/dbraw/zinc/33/56/57/1028335657.db2.gz BADOVIDHHQFWGQ-UHFFFAOYSA-N -1 1 344.455 3.577 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CCCOc3ccccc32)cc(Cl)c1[O-] ZINC000153713851 1028643947 /nfs/dbraw/zinc/64/39/47/1028643947.db2.gz INCJXMAQUWNUAG-CQSZACIVSA-N -1 1 347.798 3.698 20 0 EHADMM C[C@@H](OC[C@H]1CCCCO1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278064947 1028754065 /nfs/dbraw/zinc/75/40/65/1028754065.db2.gz FCZUSPZFDFNOQP-ZYHUDNBSSA-N -1 1 338.791 3.742 20 0 EHADMM COc1cc(-c2noc([C@H]3CC3(C)C)n2)cc(Br)c1[O-] ZINC000445397682 1028761100 /nfs/dbraw/zinc/76/11/00/1028761100.db2.gz KZOJTAQFRBSNNU-MRVPVSSYSA-N -1 1 339.189 3.727 20 0 EHADMM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc(=O)[nH]1 ZINC000445445791 1028802675 /nfs/dbraw/zinc/80/26/75/1028802675.db2.gz KISJPPXQLSHAQM-UHFFFAOYSA-N -1 1 331.759 3.987 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C\c3cnn(-c4ccccc4)c3)n2)c(F)c1 ZINC000445464095 1028809591 /nfs/dbraw/zinc/80/95/91/1028809591.db2.gz RYPASSNHKMFVOM-TWGQIWQCSA-N -1 1 348.337 3.937 20 0 EHADMM COc1ccc(C[C@@H](C)c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445456177 1028824595 /nfs/dbraw/zinc/82/45/95/1028824595.db2.gz SNUIHLHKTOPDSZ-LLVKDONJSA-N -1 1 328.343 3.936 20 0 EHADMM COc1ccc(Cl)cc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445457027 1028827185 /nfs/dbraw/zinc/82/71/85/1028827185.db2.gz QJRQDARFTDUULT-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM CC(C)C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)N1CCCCC1=O ZINC000278082692 1028842550 /nfs/dbraw/zinc/84/25/50/1028842550.db2.gz GMUXBTMARBKVRB-AWEZNQCLSA-N -1 1 347.390 3.681 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3c[nH]c4cc(F)ccc34)n2)cc1F ZINC000445476458 1028857628 /nfs/dbraw/zinc/85/76/28/1028857628.db2.gz CTOIZEVVRPJXGO-UHFFFAOYSA-N -1 1 327.290 3.793 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1csc(Nc2ccccc2)n1 ZINC000424253864 1028913652 /nfs/dbraw/zinc/91/36/52/1028913652.db2.gz GKWCZPJKVWKATP-INIZCTEOSA-N -1 1 345.468 3.528 20 0 EHADMM COc1c(F)ccc(F)c1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000445743707 1029090011 /nfs/dbraw/zinc/09/00/11/1029090011.db2.gz XXTKLJDRSZHZOP-UHFFFAOYSA-N -1 1 347.346 3.744 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cccc(C(F)F)c1 ZINC000729745085 1029273749 /nfs/dbraw/zinc/27/37/49/1029273749.db2.gz HOLAQYIAKHSZCH-UHFFFAOYSA-N -1 1 346.285 3.793 20 0 EHADMM c1sc(C[N-]c2nnc([C@H]3CCCO3)o2)nc1-c1ccccc1 ZINC000272309440 1029408336 /nfs/dbraw/zinc/40/83/36/1029408336.db2.gz XWYIEQLCZGKBET-CYBMUJFWSA-N -1 1 328.397 3.657 20 0 EHADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000583290189 1029573289 /nfs/dbraw/zinc/57/32/89/1029573289.db2.gz LXDCAADBKLTVNI-OCCSQVGLSA-N -1 1 331.362 3.764 20 0 EHADMM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cc2ccccc2o1)OC ZINC000533330935 1029629488 /nfs/dbraw/zinc/62/94/88/1029629488.db2.gz KIRYQKUGCODKMV-OAHLLOKOSA-N -1 1 339.457 3.552 20 0 EHADMM CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263034915 1029659174 /nfs/dbraw/zinc/65/91/74/1029659174.db2.gz BQPINLSCBUAXFS-HOTGVXAUSA-N -1 1 346.471 3.714 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)c3ccccc32)c1 ZINC000278221131 1029713958 /nfs/dbraw/zinc/71/39/58/1029713958.db2.gz DUVVXNWGLPKMGG-QGZVFWFLSA-N -1 1 338.407 3.751 20 0 EHADMM [O-]c1cccc(CN2CCN(c3cc(F)ccc3F)CC2)c1Cl ZINC000508571736 1029771937 /nfs/dbraw/zinc/77/19/37/1029771937.db2.gz VACRRDWESXRWSR-UHFFFAOYSA-N -1 1 338.785 3.646 20 0 EHADMM [O-]c1cccnc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000583407493 1029777110 /nfs/dbraw/zinc/77/71/10/1029777110.db2.gz FRQMDMLDECMOLN-MRXNPFEDSA-N -1 1 339.222 3.668 20 0 EHADMM C/C=C/c1ccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000489944949 1030152279 /nfs/dbraw/zinc/15/22/79/1030152279.db2.gz HDPQAKGOZCWMLV-SNAWJCMRSA-N -1 1 344.436 3.652 20 0 EHADMM C[C@H](c1ccccc1)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447476804 1030214960 /nfs/dbraw/zinc/21/49/60/1030214960.db2.gz BECLNJCAVOMUAC-GFCCVEGCSA-N -1 1 330.384 3.751 20 0 EHADMM C[C@H](c1ccccc1)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447476804 1030214967 /nfs/dbraw/zinc/21/49/67/1030214967.db2.gz BECLNJCAVOMUAC-GFCCVEGCSA-N -1 1 330.384 3.751 20 0 EHADMM COc1cc(C(=O)N(Cc2ccccn2)C(C)C)cc(Cl)c1[O-] ZINC000525949807 1030245426 /nfs/dbraw/zinc/24/54/26/1030245426.db2.gz OMYDEYOBQHVDCP-UHFFFAOYSA-N -1 1 334.803 3.500 20 0 EHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447784206 1030487499 /nfs/dbraw/zinc/48/74/99/1030487499.db2.gz ZRYPGKMHULXDPT-UHFFFAOYSA-N -1 1 349.305 3.675 20 0 EHADMM COc1ccc(N(C)C(=O)c2ccc3ccccc3c2[O-])cc1F ZINC000159325937 1030528799 /nfs/dbraw/zinc/52/87/99/1030528799.db2.gz KTATXQSKNZZXOU-UHFFFAOYSA-N -1 1 325.339 3.970 20 0 EHADMM Cc1nc(-c2ccc(N3CCSC(C)(C)CC3)nc2)[n-]c(=O)c1C ZINC000583730557 1030575974 /nfs/dbraw/zinc/57/59/74/1030575974.db2.gz JUDYEKWIUDUNJU-UHFFFAOYSA-N -1 1 344.484 3.583 20 0 EHADMM CCO[C@H](CC(=O)Nc1cc(C)cc(Br)c1[O-])C(C)C ZINC000482603068 1030578044 /nfs/dbraw/zinc/57/80/44/1030578044.db2.gz LYUGCKBXYDPUBY-CYBMUJFWSA-N -1 1 344.249 3.853 20 0 EHADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000343421014 1030791306 /nfs/dbraw/zinc/79/13/06/1030791306.db2.gz MEDAFEIZKUOWEL-CHWSQXEVSA-N -1 1 331.362 3.997 20 0 EHADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000550916095 1030796168 /nfs/dbraw/zinc/79/61/68/1030796168.db2.gz BUWSITDXLKIRQB-UHFFFAOYSA-N -1 1 339.457 3.840 20 0 EHADMM O=C(c1cc2ccccc2[nH]1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000097028884 1030881524 /nfs/dbraw/zinc/88/15/24/1030881524.db2.gz KLXRNCALSIRPRC-UHFFFAOYSA-N -1 1 348.402 3.609 20 0 EHADMM Cc1cc(C)nc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000162372509 1031026966 /nfs/dbraw/zinc/02/69/66/1031026966.db2.gz XIYZUGUPAOFWHR-UHFFFAOYSA-N -1 1 344.358 3.659 20 0 EHADMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000349955702 1031118464 /nfs/dbraw/zinc/11/84/64/1031118464.db2.gz ZZHAXNSLEDHUTO-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000177045756 1031479433 /nfs/dbraw/zinc/47/94/33/1031479433.db2.gz OVJWOLXJDWTTNH-GFCCVEGCSA-N -1 1 340.354 3.692 20 0 EHADMM CCOc1cc(CN[C@@H](CC(=O)[O-])c2ccccc2F)ccc1OC ZINC000904044785 1031663649 /nfs/dbraw/zinc/66/36/49/1031663649.db2.gz DKFSQUCORAFFTB-INIZCTEOSA-N -1 1 347.386 3.539 20 0 EHADMM Cc1cnc(C2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)s1 ZINC000278620750 1031690569 /nfs/dbraw/zinc/69/05/69/1031690569.db2.gz RORDFJAXHRBTNI-UHFFFAOYSA-N -1 1 336.844 3.830 20 0 EHADMM O=C([O-])c1cccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000262929717 1031704033 /nfs/dbraw/zinc/70/40/33/1031704033.db2.gz AECQAQHDJPTMMH-UHFFFAOYSA-N -1 1 341.382 3.619 20 0 EHADMM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000742329475 1131706867 /nfs/dbraw/zinc/70/68/67/1131706867.db2.gz PHHMGUPSISRRNM-RQJHMYQMSA-N -1 1 346.326 3.617 20 0 EHADMM COCc1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459392909 1032055547 /nfs/dbraw/zinc/05/55/47/1032055547.db2.gz RPFYDIONNDTNIX-UHFFFAOYSA-N -1 1 336.229 3.591 20 0 EHADMM CC(C)N(CC(=O)N1CCCCCC1)Cc1cccc([O-])c1Cl ZINC000646195563 1033341240 /nfs/dbraw/zinc/34/12/40/1033341240.db2.gz ZWBVZKUBBGXYDM-UHFFFAOYSA-N -1 1 338.879 3.659 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3cnc4ccsc4c3)[nH][n-]2)s1 ZINC000608359502 1033635154 /nfs/dbraw/zinc/63/51/54/1033635154.db2.gz WCIDQXBVYNFGJP-UHFFFAOYSA-N -1 1 340.433 3.731 20 0 EHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c2c(n1)onc2C(C)C ZINC000608367632 1033643261 /nfs/dbraw/zinc/64/32/61/1033643261.db2.gz ZTWDLTNLLXLKHP-UHFFFAOYSA-N -1 1 329.331 3.752 20 0 EHADMM CC[C@H](C)C[C@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000608461206 1033717837 /nfs/dbraw/zinc/71/78/37/1033717837.db2.gz WLJVKLIDWMSHPX-GJZGRUSLSA-N -1 1 346.471 3.821 20 0 EHADMM Cc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591950 1033811317 /nfs/dbraw/zinc/81/13/17/1033811317.db2.gz SUHFKEXXXYMZGA-UHFFFAOYSA-N -1 1 346.452 3.780 20 0 EHADMM CCCCCC(C)(C)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000084599805 1033921369 /nfs/dbraw/zinc/92/13/69/1033921369.db2.gz VCAJQMVXHKJCGP-UHFFFAOYSA-N -1 1 338.521 3.790 20 0 EHADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000057123697 1034095272 /nfs/dbraw/zinc/09/52/72/1034095272.db2.gz CNQGBVNJEJBYHH-CYBMUJFWSA-N -1 1 347.436 3.867 20 0 EHADMM CCOc1cc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000456287441 1034279682 /nfs/dbraw/zinc/27/96/82/1034279682.db2.gz SZYCLZNRFWSSDB-CJNGLKHVSA-N -1 1 335.831 3.705 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000534371074 1034441824 /nfs/dbraw/zinc/44/18/24/1034441824.db2.gz ULWIVPJEALTHTK-UHFFFAOYSA-N -1 1 339.178 3.910 20 0 EHADMM Cc1ccc(CS(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000096659594 1034470381 /nfs/dbraw/zinc/47/03/81/1034470381.db2.gz LBFBWZIKKCUGCX-UHFFFAOYSA-N -1 1 329.343 3.956 20 0 EHADMM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000601365755 1034470809 /nfs/dbraw/zinc/47/08/09/1034470809.db2.gz WTNSZFIPRGGMOR-ZJUUUORDSA-N -1 1 339.429 3.560 20 0 EHADMM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601366353 1034470829 /nfs/dbraw/zinc/47/08/29/1034470829.db2.gz HWHQUWUBCOKYEZ-ONGXEEELSA-N -1 1 339.429 3.560 20 0 EHADMM COc1cccc([C@@H]2CN(C(=O)c3ccc([O-])c(F)c3)CC2(C)C)c1 ZINC000529727718 1034494005 /nfs/dbraw/zinc/49/40/05/1034494005.db2.gz JCLYNXDOZMKQLI-INIZCTEOSA-N -1 1 343.398 3.806 20 0 EHADMM COc1cc(C(=O)N[C@@H](c2ccccn2)C2CCC2)cc(Cl)c1[O-] ZINC000529827021 1034607253 /nfs/dbraw/zinc/60/72/53/1034607253.db2.gz SYSRZMANKWZESZ-MRXNPFEDSA-N -1 1 346.814 3.720 20 0 EHADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597315941 1034684553 /nfs/dbraw/zinc/68/45/53/1034684553.db2.gz OUGLUYGYOOKPSD-UONOGXRCSA-N -1 1 330.453 3.687 20 0 EHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000605495801 1034768292 /nfs/dbraw/zinc/76/82/92/1034768292.db2.gz XSZVBBXJKZGWHH-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM CC(C)(C)c1ccc(-c2cc(NC(=O)c3cncc([O-])c3)on2)cc1 ZINC000605880994 1034834919 /nfs/dbraw/zinc/83/49/19/1034834919.db2.gz TYJHOMIFNCLXQN-UHFFFAOYSA-N -1 1 337.379 3.992 20 0 EHADMM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000375898937 1034871394 /nfs/dbraw/zinc/87/13/94/1034871394.db2.gz ZAXJBDZOLLPHKD-KSSFIOAISA-N -1 1 347.418 3.537 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1cnc(OCC2CC2)c(Cl)c1 ZINC000530005968 1034873103 /nfs/dbraw/zinc/87/31/03/1034873103.db2.gz QDIPUFHNQSFBGM-UHFFFAOYSA-N -1 1 336.750 3.621 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(C)c1C ZINC000570072944 1035029558 /nfs/dbraw/zinc/02/95/58/1035029558.db2.gz SHWIHBFNNZBJLX-UHFFFAOYSA-N -1 1 337.416 3.869 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413953880 1035277412 /nfs/dbraw/zinc/27/74/12/1035277412.db2.gz KHAHFDHUHQWKLS-GOSISDBHSA-N -1 1 341.382 3.525 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000185855556 1035549442 /nfs/dbraw/zinc/54/94/42/1035549442.db2.gz ZZURGPRRTQBLKI-UHFFFAOYSA-N -1 1 347.414 3.669 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000321263420 1035602463 /nfs/dbraw/zinc/60/24/63/1035602463.db2.gz RAYQBPJSWVWACV-UHFFFAOYSA-N -1 1 330.453 3.786 20 0 EHADMM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613481552 1036044735 /nfs/dbraw/zinc/04/47/35/1036044735.db2.gz OLTJPOVCVJBDJG-GUYCJALGSA-N -1 1 333.391 3.559 20 0 EHADMM Cn1nccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000475813626 1036324128 /nfs/dbraw/zinc/32/41/28/1036324128.db2.gz HKDDNUUPRIRLBI-UHFFFAOYSA-N -1 1 347.827 3.541 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2F)ccc1C(F)(F)F ZINC000685901387 1036447472 /nfs/dbraw/zinc/44/74/72/1036447472.db2.gz MCDVRCRNKSLOOF-UHFFFAOYSA-N -1 1 349.305 3.659 20 0 EHADMM O=C(Nc1cccc(-c2nnsc2Cl)c1)c1ccc([O-])c(F)c1 ZINC001168438648 1036524279 /nfs/dbraw/zinc/52/42/79/1036524279.db2.gz ZMBWXHKCQKJKHG-UHFFFAOYSA-N -1 1 349.774 3.956 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)C1(c2cccc(Cl)c2)CC1 ZINC000589690113 1036594462 /nfs/dbraw/zinc/59/44/62/1036594462.db2.gz KMLGZCQQEXVCMH-UHFFFAOYSA-N -1 1 343.839 3.884 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(F)c(F)cc1Cl ZINC000589690049 1036594883 /nfs/dbraw/zinc/59/48/83/1036594883.db2.gz GPYFOBYLZXYIGU-UHFFFAOYSA-N -1 1 339.754 3.744 20 0 EHADMM CCc1ccc([C@H](C)C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000590104202 1036756363 /nfs/dbraw/zinc/75/63/63/1036756363.db2.gz OWGFQIKXTOBOGD-LBPRGKRZSA-N -1 1 325.437 3.865 20 0 EHADMM CC[C@H]1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000648490715 1036969038 /nfs/dbraw/zinc/96/90/38/1036969038.db2.gz ZZIFSBIQOXOSEE-KBXCAEBGSA-N -1 1 329.440 3.640 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000186714198 1036993627 /nfs/dbraw/zinc/99/36/27/1036993627.db2.gz ZVJVIFZCJPRCOJ-UKRRQHHQSA-N -1 1 349.789 3.869 20 0 EHADMM CCOc1ccncc1S(=O)(=O)[N-]c1cc(C)c(C)cc1Cl ZINC000414384350 1037190742 /nfs/dbraw/zinc/19/07/42/1037190742.db2.gz PSNLFTMIRZFNAS-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1c1ccccn1 ZINC000539844904 1037273342 /nfs/dbraw/zinc/27/33/42/1037273342.db2.gz SZURIDQHUZHBDL-AWEZNQCLSA-N -1 1 347.212 3.527 20 0 EHADMM CCOc1cc(C(=O)NCc2cccc(C(C)=O)c2)cc(Cl)c1[O-] ZINC000573290133 1037423250 /nfs/dbraw/zinc/42/32/50/1037423250.db2.gz XGDJMRMZABZCMN-UHFFFAOYSA-N -1 1 347.798 3.577 20 0 EHADMM CCc1ccccc1NC(=O)[C@@H](C)Sc1nc(CC)c(C)c(=O)[n-]1 ZINC000573339675 1037472230 /nfs/dbraw/zinc/47/22/30/1037472230.db2.gz SWOAOKHWPVXXIU-GFCCVEGCSA-N -1 1 345.468 3.735 20 0 EHADMM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1ccc(O)cc1[O-] ZINC000177440212 1037534617 /nfs/dbraw/zinc/53/46/17/1037534617.db2.gz XTTIOJVPHSPWLH-UHFFFAOYSA-N -1 1 325.286 3.845 20 0 EHADMM Cc1cccc([C@@H](C)S(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)c1 ZINC000462972135 1037589879 /nfs/dbraw/zinc/58/98/79/1037589879.db2.gz YRACZVZQOQWTLE-CQSZACIVSA-N -1 1 347.484 3.771 20 0 EHADMM O=C([O-])[C@@H](NC/C=C\c1ccccc1)c1ccccc1Br ZINC000756348395 1037635475 /nfs/dbraw/zinc/63/54/75/1037635475.db2.gz KIRJRAYHMWEKFC-HWYHOQROSA-N -1 1 346.224 3.878 20 0 EHADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000540212787 1037695995 /nfs/dbraw/zinc/69/59/95/1037695995.db2.gz MXBKQRDQZBYPJR-UHFFFAOYSA-N -1 1 327.352 3.553 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc(C)c1F ZINC000172887197 1037723097 /nfs/dbraw/zinc/72/30/97/1037723097.db2.gz FVSUCTDEWCJKEW-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(F)ccc2F)c1 ZINC000182901558 1037919704 /nfs/dbraw/zinc/91/97/04/1037919704.db2.gz VRPQPLMLAQIJFC-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@@](C)(c2ccccc2)C(F)(F)F)s1 ZINC000463376747 1038094742 /nfs/dbraw/zinc/09/47/42/1038094742.db2.gz RSDMEYGCTXSHDE-ZDUSSCGKSA-N -1 1 349.399 3.813 20 0 EHADMM CCCc1nc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cs1 ZINC000124438205 1038186936 /nfs/dbraw/zinc/18/69/36/1038186936.db2.gz RITBYBNTOHLKDT-UHFFFAOYSA-N -1 1 344.480 3.896 20 0 EHADMM COc1cc(Nc2cc(Br)cc(Cl)c2[O-])ccn1 ZINC001174308320 1132311929 /nfs/dbraw/zinc/31/19/29/1132311929.db2.gz STNJKKLLGPDPJE-UHFFFAOYSA-N -1 1 329.581 3.955 20 0 EHADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccccc3C(C)C)ccc12 ZINC000461340528 1038354848 /nfs/dbraw/zinc/35/48/48/1038354848.db2.gz MYTZNLOBYVBTJL-UHFFFAOYSA-N -1 1 343.452 3.806 20 0 EHADMM CCS[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601278541 1038752397 /nfs/dbraw/zinc/75/23/97/1038752397.db2.gz VEZFRMFPHUBJRZ-CHWSQXEVSA-N -1 1 327.877 3.769 20 0 EHADMM C[C@@H](N=c1ccc(N2CCC[C@H]2c2cccnc2)n[n-]1)c1ccccc1 ZINC000568874036 1038838159 /nfs/dbraw/zinc/83/81/59/1038838159.db2.gz JRANSPVVOBHFTG-APWZRJJASA-N -1 1 345.450 3.808 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H]1C1CCCC1 ZINC000195535356 1039018448 /nfs/dbraw/zinc/01/84/48/1039018448.db2.gz RXWFMIIJIPFNEQ-CQSZACIVSA-N -1 1 338.245 3.950 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000488288595 1039049017 /nfs/dbraw/zinc/04/90/17/1039049017.db2.gz DYEGLFSZXBKDQA-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM CSC1(CN=c2[n-]c(C(F)(F)F)c(Br)s2)CC1 ZINC000418930077 1039134115 /nfs/dbraw/zinc/13/41/15/1039134115.db2.gz BEFMTTOPBMSTNQ-UHFFFAOYSA-N -1 1 347.225 3.654 20 0 EHADMM FC(F)(F)c1[n-]c(=NC[C@H]2CCSC2)sc1Br ZINC000418937067 1039136857 /nfs/dbraw/zinc/13/68/57/1039136857.db2.gz NFWIEUHOYQCESH-RXMQYKEDSA-N -1 1 347.225 3.511 20 0 EHADMM CCOc1cc(C(=O)N[C@H](CC)c2ccccn2)cc(Cl)c1[O-] ZINC000911134196 1039248145 /nfs/dbraw/zinc/24/81/45/1039248145.db2.gz XWICTXNUIJWUNY-CYBMUJFWSA-N -1 1 334.803 3.720 20 0 EHADMM Cc1cccc(CO[N-]C(=O)[C@@H](C)c2ccc(Br)cc2)n1 ZINC000898934050 1039737429 /nfs/dbraw/zinc/73/74/29/1039737429.db2.gz JLTWHNRDWCTNSP-LBPRGKRZSA-N -1 1 349.228 3.504 20 0 EHADMM C[C@@H](c1ccccc1)N1CC[C@@H](N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000489359495 1039898010 /nfs/dbraw/zinc/89/80/10/1039898010.db2.gz HWSITHGOQBDHNE-DZGCQCFKSA-N -1 1 330.501 3.505 20 0 EHADMM CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1ccccc1[O-] ZINC000907210276 1039957304 /nfs/dbraw/zinc/95/73/04/1039957304.db2.gz NQTCGPZJEKYSGZ-UHFFFAOYSA-N -1 1 342.395 3.669 20 0 EHADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cnc(C3CC3)nc2)cc1 ZINC000417572786 1040008503 /nfs/dbraw/zinc/00/85/03/1040008503.db2.gz PFZKYKAXQZKSIS-SFHVURJKSA-N -1 1 339.439 3.783 20 0 EHADMM CCCn1c(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)nc2ccccc21 ZINC000417631835 1040091942 /nfs/dbraw/zinc/09/19/42/1040091942.db2.gz SDKOYGMEVCAWDC-WMZOPIPTSA-N -1 1 349.434 3.849 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CC23CCCC3)c([O-])c1 ZINC000760587784 1040104547 /nfs/dbraw/zinc/10/45/47/1040104547.db2.gz KTMAXRAQAYJJET-OAHLLOKOSA-N -1 1 346.427 3.802 20 0 EHADMM C[C@H]1OCC[C@H]1c1nnc([N-]c2ccccc2OCC(F)(F)F)o1 ZINC000899246446 1040238233 /nfs/dbraw/zinc/23/82/33/1040238233.db2.gz GRPSMWMIJUBOFS-NXEZZACHSA-N -1 1 343.305 3.647 20 0 EHADMM O=S(=O)([N-]c1nc2ccc(F)cc2[nH]1)c1cccc2ccccc21 ZINC000486557807 1040239167 /nfs/dbraw/zinc/23/91/67/1040239167.db2.gz DZCZQYBUQYMYAQ-UHFFFAOYSA-N -1 1 341.367 3.656 20 0 EHADMM O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc(Cl)ccc1[O-] ZINC000065321547 1040273953 /nfs/dbraw/zinc/27/39/53/1040273953.db2.gz ODFWDTJBUOIGJO-UHFFFAOYSA-N -1 1 332.762 3.639 20 0 EHADMM CCOc1ccc([C@@H](NC(=O)c2cncc([O-])c2)c2ccccc2)cc1 ZINC000339833033 1040456936 /nfs/dbraw/zinc/45/69/36/1040456936.db2.gz DNAKNULHCLXADJ-FQEVSTJZSA-N -1 1 348.402 3.705 20 0 EHADMM Cc1ncc(CN[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)s1 ZINC000041835351 1040476409 /nfs/dbraw/zinc/47/64/09/1040476409.db2.gz AGLYUTBAXYOQHT-CQSZACIVSA-N -1 1 345.251 3.848 20 0 EHADMM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cccc([O-])c1Br ZINC000908708069 1040602562 /nfs/dbraw/zinc/60/25/62/1040602562.db2.gz OHRXCXLUJVTVFV-WDEREUQCSA-N -1 1 344.249 3.671 20 0 EHADMM Cc1ccc(C(=O)Nc2nc(Br)ccc2[O-])c(Cl)c1 ZINC000191960642 1040716154 /nfs/dbraw/zinc/71/61/54/1040716154.db2.gz WHGURWJAVHEQEJ-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM O=S(=O)([N-]CCCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000429861154 1040833776 /nfs/dbraw/zinc/83/37/76/1040833776.db2.gz VPOVEQIDJDXEJQ-UHFFFAOYSA-N -1 1 336.162 3.614 20 0 EHADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000433141292 1040890460 /nfs/dbraw/zinc/89/04/60/1040890460.db2.gz NSNKLLADKQKTIR-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCC(CC)n1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)n1 ZINC000433182769 1041016865 /nfs/dbraw/zinc/01/68/65/1041016865.db2.gz PFXDVRXEHORHQE-UHFFFAOYSA-N -1 1 339.399 3.592 20 0 EHADMM O=C(CCCOCCc1ccccc1)Nc1cc([O-])c(F)cc1F ZINC000909973806 1041087604 /nfs/dbraw/zinc/08/76/04/1041087604.db2.gz CEGRLMMWIMBPGQ-UHFFFAOYSA-N -1 1 335.350 3.648 20 0 EHADMM CC(C)(C)n1nc(C(=O)Nc2cc([O-])c(F)cc2F)cc1C1CC1 ZINC000909975700 1041087754 /nfs/dbraw/zinc/08/77/54/1041087754.db2.gz UKTRKOCKDNNUAE-UHFFFAOYSA-N -1 1 335.354 3.752 20 0 EHADMM COc1ccc(C2(C(=O)Nc3cc([O-])c(F)cc3F)CCC2)cc1 ZINC000909976462 1041088545 /nfs/dbraw/zinc/08/85/45/1041088545.db2.gz AGIWRIXCUSYVGD-UHFFFAOYSA-N -1 1 333.334 3.739 20 0 EHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@@H](C)S1 ZINC000576166444 1041189286 /nfs/dbraw/zinc/18/92/86/1041189286.db2.gz PLHMYGDADSZPAE-JRKPZEMJSA-N -1 1 334.268 3.945 20 0 EHADMM CO[C@@H](c1ccccc1Cl)[C@H](C)N=c1[n-]nc(C2CC2)n1C1CC1 ZINC000571219448 1041237458 /nfs/dbraw/zinc/23/74/58/1041237458.db2.gz GAZCOBQTOIRYRW-MEDUHNTESA-N -1 1 346.862 3.754 20 0 EHADMM CC1(C(=O)Nc2cc([O-])c(Br)cc2Br)CC1 ZINC000412283494 1041336348 /nfs/dbraw/zinc/33/63/48/1041336348.db2.gz CMUMJYVXWKKNPR-UHFFFAOYSA-N -1 1 349.022 3.656 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)c1O ZINC000047383681 1041620866 /nfs/dbraw/zinc/62/08/66/1041620866.db2.gz DQTBNGNKOUBJTN-UHFFFAOYSA-N -1 1 345.342 3.829 20 0 EHADMM Fc1cc(-c2ccccc2)ccc1CNC1(c2nn[n-]n2)CCCC1 ZINC000473118571 1042211489 /nfs/dbraw/zinc/21/14/89/1042211489.db2.gz MVWSQNOLAOSBPP-UHFFFAOYSA-N -1 1 337.402 3.565 20 0 EHADMM Fc1cc(-c2ccccc2)ccc1CNC1(c2nnn[n-]2)CCCC1 ZINC000473118571 1042211495 /nfs/dbraw/zinc/21/14/95/1042211495.db2.gz MVWSQNOLAOSBPP-UHFFFAOYSA-N -1 1 337.402 3.565 20 0 EHADMM Cc1ccc(-c2cc(CN3Cc4ccccc4[C@H](C(=O)[O-])C3)on2)cc1 ZINC000652470608 1042490661 /nfs/dbraw/zinc/49/06/61/1042490661.db2.gz BYCRYVXHIVZKKF-LJQANCHMSA-N -1 1 348.402 3.834 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1 ZINC000005262312 1042996591 /nfs/dbraw/zinc/99/65/91/1042996591.db2.gz UBOGOKURLATZPK-UHFFFAOYSA-N -1 1 332.450 3.968 20 0 EHADMM O=C([N-]c1nnc(-c2ccco2)s1)c1coc(C2CCCC2)n1 ZINC000337901460 1044532359 /nfs/dbraw/zinc/53/23/59/1044532359.db2.gz QPNHLWBEYPVEEP-UHFFFAOYSA-N -1 1 330.369 3.696 20 0 EHADMM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1c(Cl)cccc1C(F)(F)F ZINC000344901731 1044675716 /nfs/dbraw/zinc/67/57/16/1044675716.db2.gz IJWNFZDHHAZACY-YUMQZZPRSA-N -1 1 345.745 3.528 20 0 EHADMM COc1cc(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000153906986 1125673647 /nfs/dbraw/zinc/67/36/47/1125673647.db2.gz YKNFCJDZJULFOP-GFCCVEGCSA-N -1 1 349.814 3.560 20 0 EHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc(-c2ccncc2)cs1 ZINC000154399899 1125716783 /nfs/dbraw/zinc/71/67/83/1125716783.db2.gz RWKIUCUNCNIGJD-JTQLQIEISA-N -1 1 343.383 3.541 20 0 EHADMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc([O-])cc1F ZINC000154982172 1125772466 /nfs/dbraw/zinc/77/24/66/1125772466.db2.gz NCKPVKRDBWVEQM-JTQLQIEISA-N -1 1 330.384 3.502 20 0 EHADMM C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000623207633 1126896230 /nfs/dbraw/zinc/89/62/30/1126896230.db2.gz YQIBVHLZWAKMQR-GMSGAONNSA-N -1 1 340.210 3.727 20 0 EHADMM Cc1onc(-c2ccncc2)c1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000350608565 1127091678 /nfs/dbraw/zinc/09/16/78/1127091678.db2.gz KORIAFDYKBIUEY-UHFFFAOYSA-N -1 1 338.298 3.607 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cccs2)c1 ZINC000182924997 1127354892 /nfs/dbraw/zinc/35/48/92/1127354892.db2.gz BZCIOTSENUYNBR-UHFFFAOYSA-N -1 1 326.215 3.706 20 0 EHADMM Cc1cc(NC(=O)c2ccc(O)cc2[O-])c(F)cc1Br ZINC000380362080 1127440197 /nfs/dbraw/zinc/44/01/97/1127440197.db2.gz NYKHYSSFIKILGK-UHFFFAOYSA-N -1 1 340.148 3.560 20 0 EHADMM O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc([O-])cc1 ZINC000028623651 1127790490 /nfs/dbraw/zinc/79/04/90/1127790490.db2.gz KCRLWJHAKGBBFU-UHFFFAOYSA-N -1 1 330.340 3.556 20 0 EHADMM C[C@H]1Oc2ccc(NC(=O)c3cc4ccccc4cc3[O-])cc2NC1=O ZINC000029770564 1127807991 /nfs/dbraw/zinc/80/79/91/1127807991.db2.gz GLFMNZIRLCQIHK-LLVKDONJSA-N -1 1 348.358 3.517 20 0 EHADMM O=C(Nc1ccc(OC(F)F)nc1)Nc1ccc([O-])c(Cl)c1 ZINC000338615381 1127906884 /nfs/dbraw/zinc/90/68/84/1127906884.db2.gz VBNJIEGQVCRMBF-UHFFFAOYSA-N -1 1 329.690 3.686 20 0 EHADMM CCc1nc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)co1 ZINC000347537705 1128055113 /nfs/dbraw/zinc/05/51/13/1128055113.db2.gz RGLDPEITLRSGMH-UHFFFAOYSA-N -1 1 340.364 3.754 20 0 EHADMM CCC[C@H](C(=O)NCCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000067074845 1128233603 /nfs/dbraw/zinc/23/36/03/1128233603.db2.gz JMWYJHWYOMYGRM-HNNXBMFYSA-N -1 1 346.500 3.764 20 0 EHADMM O=C([N-][C@H]1COc2ccc(Cl)cc21)C(F)(F)c1ccccc1F ZINC000765862160 1128621901 /nfs/dbraw/zinc/62/19/01/1128621901.db2.gz KJCRDAJBHUEFIH-ZDUSSCGKSA-N -1 1 341.716 3.821 20 0 EHADMM CCOC(=O)c1nc(Nc2cc(F)c([O-])c(Cl)c2)sc1C ZINC001214479875 1128808839 /nfs/dbraw/zinc/80/88/39/1128808839.db2.gz HVDWOJPDFKFWGC-UHFFFAOYSA-N -1 1 330.768 3.870 20 0 EHADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cccc(Cl)c1 ZINC000007409095 1128865693 /nfs/dbraw/zinc/86/56/93/1128865693.db2.gz SLSDQZAOTKVKAE-UHFFFAOYSA-N -1 1 333.743 3.742 20 0 EHADMM Cc1cc(Br)c(CC(=O)Nc2cccc(F)c2[O-])s1 ZINC001648851123 1120054450 /nfs/dbraw/zinc/05/44/50/1120054450.db2.gz VVFABCHRGLTJBX-UHFFFAOYSA-N -1 1 344.205 3.845 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1ccnc(Cl)c1Br ZINC001648850973 1120054456 /nfs/dbraw/zinc/05/44/56/1120054456.db2.gz QLRGXZQZTREWAA-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM C[C@@H]1CC(NC(=O)c2ccc(Br)cc2[O-])C[C@@H](C)C1 ZINC000084978919 1120108469 /nfs/dbraw/zinc/10/84/69/1120108469.db2.gz BOSYINHFRGUHNR-UWVGGRQHSA-N -1 1 326.234 3.709 20 0 EHADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1ccc2sccc2c1 ZINC000084298852 1120144450 /nfs/dbraw/zinc/14/44/50/1120144450.db2.gz DJQUBYXHPVHDNM-UHFFFAOYSA-N -1 1 347.469 3.539 20 0 EHADMM C[C@H]1Cc2ccccc2N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000222003888 1120308229 /nfs/dbraw/zinc/30/82/29/1120308229.db2.gz VQIZIAZTCFRHIY-NSHDSACASA-N -1 1 346.224 3.994 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1C ZINC000481847373 1120348594 /nfs/dbraw/zinc/34/85/94/1120348594.db2.gz LGTVCZUIOMSAKV-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000188897696 1120515863 /nfs/dbraw/zinc/51/58/63/1120515863.db2.gz LDHNXUNVPPXDQB-UHFFFAOYSA-N -1 1 332.425 3.569 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1 ZINC000494336745 1120532458 /nfs/dbraw/zinc/53/24/58/1120532458.db2.gz XGJJNLKROJCJSA-UHFFFAOYSA-N -1 1 344.480 3.774 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000190417516 1120637264 /nfs/dbraw/zinc/63/72/64/1120637264.db2.gz ZMNWIGRCISJCGG-UHFFFAOYSA-N -1 1 348.255 3.782 20 0 EHADMM CC[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000191619953 1120682352 /nfs/dbraw/zinc/68/23/52/1120682352.db2.gz RYWVYICIQVGBLB-CQSZACIVSA-N -1 1 346.452 3.862 20 0 EHADMM Cc1cnc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000494905219 1120900836 /nfs/dbraw/zinc/90/08/36/1120900836.db2.gz AZQWDCOVTBPMNK-LJQANCHMSA-N -1 1 344.414 3.884 20 0 EHADMM Cc1ccc(Cl)cc1C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000153310899 1120954702 /nfs/dbraw/zinc/95/47/02/1120954702.db2.gz XPNJMYATJHPNRJ-UHFFFAOYSA-N -1 1 341.169 3.516 20 0 EHADMM CC(C)(C)c1nc([N-]c2cc(F)cc(C(=O)N3CCCCC3)c2)no1 ZINC001212201572 1120987104 /nfs/dbraw/zinc/98/71/04/1120987104.db2.gz HJTSXPLGZBNNCV-UHFFFAOYSA-N -1 1 346.406 3.876 20 0 EHADMM Cc1cc(C)c(S(C)(=O)=O)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214488918 1128968862 /nfs/dbraw/zinc/96/88/62/1128968862.db2.gz QEIOKPVZNPTYJA-UHFFFAOYSA-N -1 1 343.807 3.949 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1F ZINC000055678583 1121706235 /nfs/dbraw/zinc/70/62/35/1121706235.db2.gz MFLBBFRYBIXIPD-UHFFFAOYSA-N -1 1 329.780 3.679 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000055652276 1121851521 /nfs/dbraw/zinc/85/15/21/1121851521.db2.gz UIUZKJKRQHTDIG-UHFFFAOYSA-N -1 1 347.436 3.786 20 0 EHADMM O=C(NOCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1[O-] ZINC000154107765 1122237109 /nfs/dbraw/zinc/23/71/09/1122237109.db2.gz NJJFWIFSAUABCZ-UHFFFAOYSA-N -1 1 345.704 3.926 20 0 EHADMM C[C@H]1Oc2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc2NC1=O ZINC000123757204 1122263084 /nfs/dbraw/zinc/26/30/84/1122263084.db2.gz YXNRHKIDKUUNMH-LLVKDONJSA-N -1 1 348.358 3.517 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000126163642 1122389872 /nfs/dbraw/zinc/38/98/72/1122389872.db2.gz YOOKTCNWIMBPPY-UHFFFAOYSA-N -1 1 334.228 3.641 20 0 EHADMM O=c1cc(/C=C/c2c(Cl)ccc(Cl)c2Cl)nc2nc[n-]n21 ZINC000672775402 1129070180 /nfs/dbraw/zinc/07/01/80/1129070180.db2.gz MAGOLWUCIRKMJG-OWOJBTEDSA-N -1 1 341.585 3.548 20 0 EHADMM CCCCc1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)n[nH]1 ZINC000497848553 1122682527 /nfs/dbraw/zinc/68/25/27/1122682527.db2.gz XTDISKWYQGQVEU-UHFFFAOYSA-N -1 1 327.837 3.515 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2cc(F)cc(OC(F)(F)F)c2)no1 ZINC001212481055 1129086005 /nfs/dbraw/zinc/08/60/05/1129086005.db2.gz YAQQUPHFSQDBER-UHFFFAOYSA-N -1 1 341.220 3.542 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2ccc(-c3ccc(F)cc3)cn2)no1 ZINC001212482166 1129093709 /nfs/dbraw/zinc/09/37/09/1129093709.db2.gz FLPLNCQHYUBAHW-UHFFFAOYSA-N -1 1 334.310 3.705 20 0 EHADMM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000132940689 1123320984 /nfs/dbraw/zinc/32/09/84/1123320984.db2.gz ZYWDFCYPPWODAK-YOEHRIQHSA-N -1 1 331.799 3.696 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2csc([C@H](C)OCC)n2)n1 ZINC000133293630 1123378406 /nfs/dbraw/zinc/37/84/06/1123378406.db2.gz AQNZHPCNOQMNQN-JTQLQIEISA-N -1 1 339.486 3.981 20 0 EHADMM Cc1c(-c2ccccc2)sc2[n-]c(-c3ncc(C)cn3)nc(=O)c12 ZINC000133650430 1123412256 /nfs/dbraw/zinc/41/22/56/1123412256.db2.gz IAQSJGIUCGGNMG-UHFFFAOYSA-N -1 1 334.404 3.725 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCCC2(C)C)cc1 ZINC000174956208 1123561859 /nfs/dbraw/zinc/56/18/59/1123561859.db2.gz LZWOPRVMBNGBMA-AWEZNQCLSA-N -1 1 344.484 3.611 20 0 EHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H](C)c1cccnc1 ZINC000135116007 1123583686 /nfs/dbraw/zinc/58/36/86/1123583686.db2.gz RXNXSSDCQNMGGL-NSHDSACASA-N -1 1 334.803 3.673 20 0 EHADMM O=C(Nc1nnc(-c2ccccn2)s1)c1ccc2ccccc2c1[O-] ZINC000079394383 1123691889 /nfs/dbraw/zinc/69/18/89/1123691889.db2.gz VCCMRHDCTTUVKA-UHFFFAOYSA-N -1 1 348.387 3.711 20 0 EHADMM CN(Cc1ccccc1Br)C(=O)c1cc(F)ccc1[O-] ZINC000080000545 1123733680 /nfs/dbraw/zinc/73/36/80/1123733680.db2.gz PWCGZNYUHRIWEN-UHFFFAOYSA-N -1 1 338.176 3.566 20 0 EHADMM CC(C)(CC(F)(F)F)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000616251391 1123969835 /nfs/dbraw/zinc/96/98/35/1123969835.db2.gz UCSFYECPZXXQOV-UHFFFAOYSA-N -1 1 347.287 3.694 20 0 EHADMM O=C(Cc1ccc2ccccc2c1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617363959 1124498286 /nfs/dbraw/zinc/49/82/86/1124498286.db2.gz BICXHTICYKCYGS-UHFFFAOYSA-N -1 1 333.416 3.895 20 0 EHADMM O=S(=O)([N-]c1ccc2ccccc2n1)C1=Cc2ccccc2CC1 ZINC000734975732 1131301620 /nfs/dbraw/zinc/30/16/20/1131301620.db2.gz ZWIXNDVOGMDLIT-UHFFFAOYSA-N -1 1 336.416 3.964 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000181967428 1125097715 /nfs/dbraw/zinc/09/77/15/1125097715.db2.gz HCLQEXSUHXYJFK-VBHSOAQHSA-N -1 1 329.371 3.522 20 0 EHADMM O=C(NC/C=C\c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000254969327 1125357217 /nfs/dbraw/zinc/35/72/17/1125357217.db2.gz ACCBVXLTTDMPPT-DAXSKMNVSA-N -1 1 332.197 3.598 20 0 EHADMM C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000619924831 1125428834 /nfs/dbraw/zinc/42/88/34/1125428834.db2.gz KKEFRCKYQLTGFT-LLVKDONJSA-N -1 1 343.345 3.585 20 0 EHADMM COc1cc(C(=O)[N-]c2cc(F)ccc2Oc2ccccc2)on1 ZINC000153140370 1125443091 /nfs/dbraw/zinc/44/30/91/1125443091.db2.gz PVEINLQMTNAGPN-UHFFFAOYSA-N -1 1 328.299 3.867 20 0 EHADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)n1 ZINC000115312614 1129257471 /nfs/dbraw/zinc/25/74/71/1129257471.db2.gz POSDAJWXNHWWMS-UHFFFAOYSA-N -1 1 339.420 3.561 20 0 EHADMM O=S(=O)([N-]C1(C(F)F)CCCC1)c1ccc(Cl)cc1Cl ZINC000673586221 1129588638 /nfs/dbraw/zinc/58/86/38/1129588638.db2.gz GKADPXBEYWDNGN-UHFFFAOYSA-N -1 1 344.210 3.850 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000509090735 1129737264 /nfs/dbraw/zinc/73/72/64/1129737264.db2.gz VQNPZHLROSGKDE-UHFFFAOYSA-N -1 1 349.477 3.923 20 0 EHADMM O=C([N-]CC1(c2ccc(F)cc2Cl)CC1)C(F)(F)C(F)F ZINC000766022015 1129818622 /nfs/dbraw/zinc/81/86/22/1129818622.db2.gz FQRFROIUJKPEQO-UHFFFAOYSA-N -1 1 327.680 3.527 20 0 EHADMM CCOc1cc(C(=O)NNc2ccccc2Cl)cc(Cl)c1[O-] ZINC000186902445 1129901624 /nfs/dbraw/zinc/90/16/24/1129901624.db2.gz TWEFJRCHELOIEG-UHFFFAOYSA-N -1 1 341.194 3.855 20 0 EHADMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000673982267 1129932986 /nfs/dbraw/zinc/93/29/86/1129932986.db2.gz LOHCAULDCHNXCE-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000171329342 1130046792 /nfs/dbraw/zinc/04/67/92/1130046792.db2.gz FCZMAOMDBMJJQW-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(Oc3cccc(F)c3)CC2)c(F)c1 ZINC000530163997 1130072944 /nfs/dbraw/zinc/07/29/44/1130072944.db2.gz MDHXOCHPHXUYIB-UHFFFAOYSA-N -1 1 347.361 3.706 20 0 EHADMM O=C([N-][C@@H]1CCc2cc(F)c(F)c(F)c21)C(F)(F)c1ccccc1 ZINC001128948883 1130263895 /nfs/dbraw/zinc/26/38/95/1130263895.db2.gz GQSMVAFZKKAAGV-GFCCVEGCSA-N -1 1 341.279 3.999 20 0 EHADMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000676352189 1130568812 /nfs/dbraw/zinc/56/88/12/1130568812.db2.gz QHFRQWOLRKWJSU-ZCFIWIBFSA-N -1 1 346.699 3.631 20 0 EHADMM O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1c([O-])cccc1Cl ZINC000731828403 1130847403 /nfs/dbraw/zinc/84/74/03/1130847403.db2.gz LCMKIBGJYDPHLK-QGZVFWFLSA-N -1 1 341.794 3.662 20 0 EHADMM O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(Cl)cc1[O-] ZINC000731828434 1130847588 /nfs/dbraw/zinc/84/75/88/1130847588.db2.gz JRYYTRAFMOARNX-GOSISDBHSA-N -1 1 341.794 3.662 20 0 EHADMM COc1ccc2[nH]cc(CCNC(=O)c3c([O-])cccc3Cl)c2c1 ZINC000733363915 1131030432 /nfs/dbraw/zinc/03/04/32/1131030432.db2.gz AHEDIWFXDBWHMK-UHFFFAOYSA-N -1 1 344.798 3.508 20 0 EHADMM Cn1ccc2cc(-c3noc(-c4ncc(C(F)(F)F)[n-]4)n3)ccc21 ZINC001212688439 1131891733 /nfs/dbraw/zinc/89/17/33/1131891733.db2.gz BJVKHJKSZPTJMI-UHFFFAOYSA-N -1 1 333.273 3.637 20 0 EHADMM Cn1ccc2cc(-c3noc(-c4nc(C(F)(F)F)c[n-]4)n3)ccc21 ZINC001212688439 1131891743 /nfs/dbraw/zinc/89/17/43/1131891743.db2.gz BJVKHJKSZPTJMI-UHFFFAOYSA-N -1 1 333.273 3.637 20 0 EHADMM Fc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1Cl ZINC001212688730 1131895069 /nfs/dbraw/zinc/89/50/69/1131895069.db2.gz RCPVQKMOQIBTRM-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Fc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1Cl ZINC001212688730 1131895079 /nfs/dbraw/zinc/89/50/79/1131895079.db2.gz RCPVQKMOQIBTRM-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM CC[C@@H](C(=O)OCCc1cc(C(C)=O)ccc1[O-])c1ccccc1 ZINC000744467018 1132105917 /nfs/dbraw/zinc/10/59/17/1132105917.db2.gz YRPHPNGARJGHRC-GOSISDBHSA-N -1 1 326.392 3.874 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2ccc(Cl)cc2)c1 ZINC000744481765 1132108570 /nfs/dbraw/zinc/10/85/70/1132108570.db2.gz BZUQSMPXJBYLHI-UHFFFAOYSA-N -1 1 332.783 3.577 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000744629166 1132133144 /nfs/dbraw/zinc/13/31/44/1132133144.db2.gz RMXOXOSTXWVAAN-UHFFFAOYSA-N -1 1 342.178 3.629 20 0 EHADMM COC(=O)c1cc(Br)c([O-])c(Nc2ccsc2)c1 ZINC001173821221 1132145204 /nfs/dbraw/zinc/14/52/04/1132145204.db2.gz WQRAOAKXXRJYGY-UHFFFAOYSA-N -1 1 328.187 3.746 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2cc(C)ccc2C)c1 ZINC000744943744 1132169418 /nfs/dbraw/zinc/16/94/18/1132169418.db2.gz QJRSRAKEQBHGHE-UHFFFAOYSA-N -1 1 326.392 3.540 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)c2ccc(F)cc2)c1 ZINC000744953034 1132171651 /nfs/dbraw/zinc/17/16/51/1132171651.db2.gz HXDRXMNKYBWQNA-UHFFFAOYSA-N -1 1 344.382 3.797 20 0 EHADMM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc3c[nH]nc3c2)cc1Cl ZINC001174501862 1132389987 /nfs/dbraw/zinc/38/99/87/1132389987.db2.gz KRVGGCSHFPMZJG-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc3c[nH]nc3c2)c1 ZINC001174501514 1132390786 /nfs/dbraw/zinc/39/07/86/1132390786.db2.gz WXUKXWJSDNOYGM-UHFFFAOYSA-N -1 1 339.376 3.706 20 0 EHADMM CC(=O)c1ccc(F)c(Nc2ncc(Br)cc2[O-])c1 ZINC001175273380 1132626168 /nfs/dbraw/zinc/62/61/68/1132626168.db2.gz VFIPYXRSAGSJLK-UHFFFAOYSA-N -1 1 325.137 3.635 20 0 EHADMM CSc1ncc(Nc2ccc(F)c(Br)c2[O-])cn1 ZINC001175650402 1132722392 /nfs/dbraw/zinc/72/23/92/1132722392.db2.gz AYXLTSKWSNHYPT-UHFFFAOYSA-N -1 1 330.182 3.549 20 0 EHADMM Cc1[nH]nc2ccc(Nc3ccc(S(=O)(=O)[O-])cc3Cl)cc12 ZINC001175701799 1132730603 /nfs/dbraw/zinc/73/06/03/1132730603.db2.gz HARXSEMYWMTLKK-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM C[C@@H](CC(=O)[N-]OCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000766761386 1132793690 /nfs/dbraw/zinc/79/36/90/1132793690.db2.gz FCYSTWWHTOIGRW-QMMMGPOBSA-N -1 1 329.240 3.809 20 0 EHADMM Cc1ccc2ccc(F)c(Nc3nc[n-]c(=O)c3Br)c2n1 ZINC001176114348 1132850994 /nfs/dbraw/zinc/85/09/94/1132850994.db2.gz LKQJAWAHYFZDBN-UHFFFAOYSA-N -1 1 349.163 3.684 20 0 EHADMM O=C(c1ccc(F)c(Nc2ccc(F)c(F)c2[O-])c1)N1CCCC1 ZINC001176214807 1132876773 /nfs/dbraw/zinc/87/67/73/1132876773.db2.gz JQQDLMNUGJFTEK-UHFFFAOYSA-N -1 1 336.313 3.789 20 0 EHADMM O=C(OCc1csc(Cc2ccccc2)n1)c1ccc([O-])cc1F ZINC000773574711 1132921033 /nfs/dbraw/zinc/92/10/33/1132921033.db2.gz VJHUJZOLNIESPZ-UHFFFAOYSA-N -1 1 343.379 3.936 20 0 EHADMM CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773568963 1132921384 /nfs/dbraw/zinc/92/13/84/1132921384.db2.gz SIJPBXYVVBNBLO-LBPRGKRZSA-N -1 1 345.370 3.840 20 0 EHADMM COc1cccc([C@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2(C)C)c1 ZINC001176416528 1132934466 /nfs/dbraw/zinc/93/44/66/1132934466.db2.gz ROJRFWYJXFXMRD-MRXNPFEDSA-N -1 1 343.398 3.948 20 0 EHADMM Nc1ccc2nc(C(F)(F)F)n(-c3c(F)cc(F)c([O-])c3F)c2c1 ZINC001176671313 1132979702 /nfs/dbraw/zinc/97/97/02/1132979702.db2.gz ABAOVQORZLCFSJ-UHFFFAOYSA-N -1 1 347.218 3.749 20 0 EHADMM O=c1ccccn1-c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176671071 1132979882 /nfs/dbraw/zinc/97/98/82/1132979882.db2.gz SIFRSCFUBWHKCZ-UHFFFAOYSA-N -1 1 332.281 3.704 20 0 EHADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC000767299462 1132980404 /nfs/dbraw/zinc/98/04/04/1132980404.db2.gz CMTHIVLYWIIIBK-UHFFFAOYSA-N -1 1 338.176 3.961 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2cccc(F)c2N2CCOCC2)c1F ZINC001176673832 1132980486 /nfs/dbraw/zinc/98/04/86/1132980486.db2.gz NTZBETTWTOGDFL-UHFFFAOYSA-N -1 1 342.292 3.529 20 0 EHADMM CC1(C)NC(=O)Nc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc21 ZINC001176674092 1132980903 /nfs/dbraw/zinc/98/09/03/1132980903.db2.gz PJFVONJRMDPFOT-UHFFFAOYSA-N -1 1 337.301 3.923 20 0 EHADMM O=C(/C=C/c1ccnc2ccccc12)NCc1ccc([O-])c(Cl)c1 ZINC001176987954 1133018483 /nfs/dbraw/zinc/01/84/83/1133018483.db2.gz FFUYJEIGFIOSMO-SOFGYWHQSA-N -1 1 338.794 3.923 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C(F)(F)c1ccccn1 ZINC001177302129 1133047967 /nfs/dbraw/zinc/04/79/67/1133047967.db2.gz NIYZMGSTAXEXPQ-UHFFFAOYSA-N -1 1 332.228 3.537 20 0 EHADMM CC(C)C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000773755156 1133178753 /nfs/dbraw/zinc/17/87/53/1133178753.db2.gz BUVSCULLPFXIJQ-HNNXBMFYSA-N -1 1 340.452 3.535 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccc(Cl)c(Cl)c1 ZINC001178780671 1133201760 /nfs/dbraw/zinc/20/17/60/1133201760.db2.gz HTXZOUZLHXGRNY-UHFFFAOYSA-N -1 1 346.160 3.950 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)c1cc(Cl)ccc1Cl ZINC001178780743 1133202064 /nfs/dbraw/zinc/20/20/64/1133202064.db2.gz JJUDPSFZSMGWLG-UHFFFAOYSA-N -1 1 346.160 3.950 20 0 EHADMM CNC(=O)c1ccc(NCc2cccc([O-])c2Cl)cc1Cl ZINC001179054602 1133223004 /nfs/dbraw/zinc/22/30/04/1133223004.db2.gz XUHNWMRMDWCRID-UHFFFAOYSA-N -1 1 325.195 3.671 20 0 EHADMM CCCOc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000769188831 1133242264 /nfs/dbraw/zinc/24/22/64/1133242264.db2.gz JUOZLRFBAXHYHQ-UHFFFAOYSA-N -1 1 329.400 3.655 20 0 EHADMM C[C@@H](CC(N)=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC001179347059 1133242339 /nfs/dbraw/zinc/24/23/39/1133242339.db2.gz LWVIWMIQTJVFMU-ZDUSSCGKSA-N -1 1 348.402 3.777 20 0 EHADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001179422993 1133252371 /nfs/dbraw/zinc/25/23/71/1133252371.db2.gz MUXAOFXEWQSUOJ-FQEVSTJZSA-N -1 1 339.366 3.612 20 0 EHADMM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000769723328 1133335242 /nfs/dbraw/zinc/33/52/42/1133335242.db2.gz WLZDDWMEWIUBFW-QGZVFWFLSA-N -1 1 337.423 3.587 20 0 EHADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769780860 1133344898 /nfs/dbraw/zinc/34/48/98/1133344898.db2.gz YMKOTDQZADCFEK-FZMZJTMJSA-N -1 1 334.416 3.658 20 0 EHADMM O=C(NC1(c2cccc(F)c2)CCOCC1)c1c([O-])cccc1Cl ZINC000769923328 1133360746 /nfs/dbraw/zinc/36/07/46/1133360746.db2.gz LBFSRSVXYIYIFO-UHFFFAOYSA-N -1 1 349.789 3.620 20 0 EHADMM O=C([O-])C1(C(=O)Nc2c(Cl)ccc(O)c2Cl)CCCCC1 ZINC001180436378 1133369933 /nfs/dbraw/zinc/36/99/33/1133369933.db2.gz HVSIHITYYOXHEN-UHFFFAOYSA-N -1 1 332.183 3.673 20 0 EHADMM O=C(C[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000769975431 1133371408 /nfs/dbraw/zinc/37/14/08/1133371408.db2.gz WKCNTLXROCEQLM-AWEZNQCLSA-N -1 1 343.810 3.923 20 0 EHADMM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1c([O-])cccc1Cl ZINC000770096836 1133386362 /nfs/dbraw/zinc/38/63/62/1133386362.db2.gz NAAJCBJYMLCXAB-CJNGLKHVSA-N -1 1 345.826 3.943 20 0 EHADMM O=C(Cc1occ2ccccc21)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001182503054 1133691737 /nfs/dbraw/zinc/69/17/37/1133691737.db2.gz IEPFDYOTEICTJF-UHFFFAOYSA-N -1 1 333.347 3.505 20 0 EHADMM O=C(CCOCc1ccccc1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001183092706 1133767953 /nfs/dbraw/zinc/76/79/53/1133767953.db2.gz OBJJHYUYKZYDKW-UHFFFAOYSA-N -1 1 339.313 3.956 20 0 EHADMM Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183217973 1133780280 /nfs/dbraw/zinc/78/02/80/1133780280.db2.gz GPZVSNDFPMAWHR-UHFFFAOYSA-N -1 1 347.733 3.795 20 0 EHADMM COc1ccc2cc(C(=O)Nc3nc(Cl)ccc3[O-])ccc2c1 ZINC001183209979 1133782410 /nfs/dbraw/zinc/78/24/10/1133782410.db2.gz OROSYDDWDJUFEW-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001183251614 1133786062 /nfs/dbraw/zinc/78/60/62/1133786062.db2.gz VTMWWBGLUHQQBE-ZMLRMANQSA-N -1 1 346.818 3.596 20 0 EHADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001183251614 1133786066 /nfs/dbraw/zinc/78/60/66/1133786066.db2.gz VTMWWBGLUHQQBE-ZMLRMANQSA-N -1 1 346.818 3.596 20 0 EHADMM CCCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC001185102358 1134029711 /nfs/dbraw/zinc/02/97/11/1134029711.db2.gz KKUGAOLSTWOQGY-JTQLQIEISA-N -1 1 338.267 3.679 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)CC2(C)CCC2)c1 ZINC001185101414 1134030086 /nfs/dbraw/zinc/03/00/86/1134030086.db2.gz OJKSRPHAMWIZNI-UHFFFAOYSA-N -1 1 328.206 3.682 20 0 EHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2cnco2)cc1 ZINC001185186709 1134046111 /nfs/dbraw/zinc/04/61/11/1134046111.db2.gz XZYWFJCVYMBCDM-UHFFFAOYSA-N -1 1 334.784 3.796 20 0 EHADMM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC001185262665 1134058694 /nfs/dbraw/zinc/05/86/94/1134058694.db2.gz BQZQXLJNOUSETR-GXSJLCMTSA-N -1 1 337.272 3.636 20 0 EHADMM O=S(=O)([N-]c1cc(O)c(F)c(F)c1)c1cc2ccccc2s1 ZINC001185463348 1134092110 /nfs/dbraw/zinc/09/21/10/1134092110.db2.gz WVBFJCXAKUYEFM-UHFFFAOYSA-N -1 1 341.360 3.686 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2ccncc2)cc1 ZINC001185828639 1134138083 /nfs/dbraw/zinc/13/80/83/1134138083.db2.gz GTFHKTSLAJSURO-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2ccncc2)c1 ZINC001185828657 1134138235 /nfs/dbraw/zinc/13/82/35/1134138235.db2.gz HCDFDHOWBIPXMK-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC000788560842 1134143107 /nfs/dbraw/zinc/14/31/07/1134143107.db2.gz RZICSQXGKUUHTO-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185944370 1134150183 /nfs/dbraw/zinc/15/01/83/1134150183.db2.gz WIWKTXIIJQGAHX-LBPRGKRZSA-N -1 1 329.425 3.877 20 0 EHADMM Cc1nc(Br)cnc1Nc1c(F)ccc([O-])c1Cl ZINC001250228828 1134168590 /nfs/dbraw/zinc/16/85/90/1134168590.db2.gz MJNMZOQKHXOQKQ-UHFFFAOYSA-N -1 1 332.560 3.789 20 0 EHADMM COc1cc(C(F)(F)F)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186225437 1134183271 /nfs/dbraw/zinc/18/32/71/1134183271.db2.gz DNOMRDHEAKEVSB-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc([O-])cc1F ZINC001186327865 1134196101 /nfs/dbraw/zinc/19/61/01/1134196101.db2.gz UWFWWRIJXVTGRT-QGZVFWFLSA-N -1 1 329.371 3.655 20 0 EHADMM C[C@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CCCCC1 ZINC001186398619 1134207682 /nfs/dbraw/zinc/20/76/82/1134207682.db2.gz BMPTWDZUACRIMZ-ZDUSSCGKSA-N -1 1 328.416 3.668 20 0 EHADMM O=S(=O)([N-][C@@H](Cc1ccccc1)C1CC1)c1sccc1Cl ZINC001186921986 1134275575 /nfs/dbraw/zinc/27/55/75/1134275575.db2.gz RKJDKSOUEJGBSD-AWEZNQCLSA-N -1 1 341.885 3.701 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1cc(F)cc(F)c1 ZINC001187547757 1134348603 /nfs/dbraw/zinc/34/86/03/1134348603.db2.gz RDVBKFXHKUMYGA-UHFFFAOYSA-N -1 1 330.294 3.500 20 0 EHADMM Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790046811 1134359260 /nfs/dbraw/zinc/35/92/60/1134359260.db2.gz NTRFXGGHVCFMHF-UHFFFAOYSA-N -1 1 341.798 3.787 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000790045866 1134359571 /nfs/dbraw/zinc/35/95/71/1134359571.db2.gz AEOQJHMQNCUODG-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM COCc1c2ccccc2oc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047180 1134364324 /nfs/dbraw/zinc/36/43/24/1134364324.db2.gz ZNXWVCYBKWXJMO-UHFFFAOYSA-N -1 1 332.743 3.586 20 0 EHADMM COc1ccc(Cl)cc1NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001187905674 1134395064 /nfs/dbraw/zinc/39/50/64/1134395064.db2.gz UUHOPXZBCDDALP-UHFFFAOYSA-N -1 1 328.155 3.747 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2)CCCCCC1)c1nccs1 ZINC001187909235 1134396169 /nfs/dbraw/zinc/39/61/69/1134396169.db2.gz YBJCFSRISGBDOI-UHFFFAOYSA-N -1 1 336.482 3.671 20 0 EHADMM CCCc1onc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001187941734 1134403504 /nfs/dbraw/zinc/40/35/04/1134403504.db2.gz QRRQEEBHWWVHEM-UHFFFAOYSA-N -1 1 328.290 3.912 20 0 EHADMM CCCC1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC001188117666 1134429095 /nfs/dbraw/zinc/42/90/95/1134429095.db2.gz QFUWOOJXRYHQNO-UHFFFAOYSA-N -1 1 340.247 3.991 20 0 EHADMM CCCc1cc(=O)[n-]c(SCC(=O)Cc2ccccc2Cl)n1 ZINC001188162323 1134434582 /nfs/dbraw/zinc/43/45/82/1134434582.db2.gz IVNXKFCTPMBAEW-UHFFFAOYSA-N -1 1 336.844 3.692 20 0 EHADMM O=C(Nc1ccc2sc(Cl)nc2c1)c1ncc(C(F)(F)F)[n-]1 ZINC001188288239 1134444947 /nfs/dbraw/zinc/44/49/47/1134444947.db2.gz PBUQEBRBJNOGQF-UHFFFAOYSA-N -1 1 346.721 3.944 20 0 EHADMM O=C(Nc1ccc2sc(Cl)nc2c1)c1nc(C(F)(F)F)c[n-]1 ZINC001188288239 1134444950 /nfs/dbraw/zinc/44/49/50/1134444950.db2.gz PBUQEBRBJNOGQF-UHFFFAOYSA-N -1 1 346.721 3.944 20 0 EHADMM O=C(c1cc(Nc2cc([O-])c(F)c(F)c2)ccc1F)N1CCCC1 ZINC001188992431 1134530117 /nfs/dbraw/zinc/53/01/17/1134530117.db2.gz CLSGPRORPZAXQS-UHFFFAOYSA-N -1 1 336.313 3.789 20 0 EHADMM Cc1nc(SCc2cccc(F)c2OC(F)F)[n-]c(=O)c1C ZINC001189060566 1134538006 /nfs/dbraw/zinc/53/80/06/1134538006.db2.gz BALRKOHRZVSLNN-UHFFFAOYSA-N -1 1 330.331 3.832 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2C2CC2)c1 ZINC001189240911 1134555951 /nfs/dbraw/zinc/55/59/51/1134555951.db2.gz FZOFKASVOXTLJA-UHFFFAOYSA-N -1 1 329.421 3.876 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(O)c1)c1ccc(F)c2ccccc21 ZINC001189386095 1134578689 /nfs/dbraw/zinc/57/86/89/1134578689.db2.gz UNHFSZYHUGTPPS-UHFFFAOYSA-N -1 1 335.331 3.624 20 0 EHADMM O=c1cc(CSc2nc3cnccc3s2)c2ccc([O-])cc2o1 ZINC001189728073 1134622547 /nfs/dbraw/zinc/62/25/47/1134622547.db2.gz AGNSBUDPFDLQCV-UHFFFAOYSA-N -1 1 342.401 3.796 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(F)cc2F)cc1 ZINC001190423574 1134698574 /nfs/dbraw/zinc/69/85/74/1134698574.db2.gz KHAAQMDIBPDLFL-UHFFFAOYSA-N -1 1 340.395 3.848 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1F ZINC001190506966 1134707504 /nfs/dbraw/zinc/70/75/04/1134707504.db2.gz OWKHJAPXRRMINC-UHFFFAOYSA-N -1 1 335.400 3.903 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC(C)(C)C(F)F)c([O-])c1 ZINC000792606335 1134739572 /nfs/dbraw/zinc/73/95/72/1134739572.db2.gz ZXPRNLKDGIWKCC-UHFFFAOYSA-N -1 1 344.358 3.513 20 0 EHADMM COc1cc(C(=O)Nc2ccccc2-c2cc[nH]n2)cc(Cl)c1[O-] ZINC001191148984 1134801217 /nfs/dbraw/zinc/80/12/17/1134801217.db2.gz 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ZINC001191966683 1134952350 /nfs/dbraw/zinc/95/23/50/1134952350.db2.gz WVVFQKSGWHFHLS-UHFFFAOYSA-N -1 1 343.404 3.663 20 0 EHADMM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccnc(F)c3)cc2)cc1 ZINC001192064683 1134963389 /nfs/dbraw/zinc/96/33/89/1134963389.db2.gz XVVBIVUMVQVFGA-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1cc(F)cc(F)c1[O-] ZINC001192188131 1134976951 /nfs/dbraw/zinc/97/69/51/1134976951.db2.gz CRABFEZWDADZNW-UHFFFAOYSA-N -1 1 330.237 3.916 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cnn3ccc(Cl)nc23)c([O-])c1 ZINC001192313611 1134996883 /nfs/dbraw/zinc/99/68/83/1134996883.db2.gz DYXXKBMZMYJTMN-UHFFFAOYSA-N -1 1 344.802 3.638 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2ccccc2-c2nc[nH]n2)c([O-])c1 ZINC001192322884 1134999492 /nfs/dbraw/zinc/99/94/92/1134999492.db2.gz QZWOIIUZTIZWBA-UHFFFAOYSA-N -1 1 336.395 3.727 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nnco3)c2)c([O-])c1 ZINC001192322496 1134999716 /nfs/dbraw/zinc/99/97/16/1134999716.db2.gz AXMWAMVNBBUBSM-UHFFFAOYSA-N -1 1 337.379 3.992 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H]1c1ccc(F)cc1F ZINC001192535231 1135032495 /nfs/dbraw/zinc/03/24/95/1135032495.db2.gz CQIGZZJHNVAGEV-ZDUSSCGKSA-N -1 1 339.288 3.926 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1c(F)ccc([O-])c1F ZINC001192540041 1135032804 /nfs/dbraw/zinc/03/28/04/1135032804.db2.gz PYEPVZIDSCJRRF-SFHVURJKSA-N -1 1 340.329 3.585 20 0 EHADMM COc1cc(C(F)(F)F)ccc1NC(=O)c1c(F)ccc([O-])c1F ZINC001192541585 1135033414 /nfs/dbraw/zinc/03/34/14/1135033414.db2.gz ZABXUTFBZHEQGJ-UHFFFAOYSA-N -1 1 347.239 3.950 20 0 EHADMM CSc1ccc(C(=O)Nc2nc(Br)ccc2[O-])s1 ZINC001192636176 1135042758 /nfs/dbraw/zinc/04/27/58/1135042758.db2.gz PRXOSVHSZCXKNV-UHFFFAOYSA-N -1 1 345.243 3.585 20 0 EHADMM O=C(Nc1c(Cl)ccc(O)c1Cl)c1ccc([O-])c(F)c1F ZINC001192841259 1135064013 /nfs/dbraw/zinc/06/40/13/1135064013.db2.gz YBOAQNMYQCECEI-UHFFFAOYSA-N -1 1 334.105 3.935 20 0 EHADMM C[C@@H](NC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(F)cc1 ZINC001193108166 1135102657 /nfs/dbraw/zinc/10/26/57/1135102657.db2.gz KWLZBZRPGBJCEF-GFCCVEGCSA-N -1 1 340.358 3.600 20 0 EHADMM Cc1c2cccc(C)c2oc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129639821 1135125659 /nfs/dbraw/zinc/12/56/59/1135125659.db2.gz SZXVPVIFFFXRKY-UHFFFAOYSA-N -1 1 337.379 3.676 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)c2ccccc12 ZINC001193857906 1135196866 /nfs/dbraw/zinc/19/68/66/1135196866.db2.gz PVVSGDFFDKXTMP-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c2ccccc12 ZINC001193863101 1135197755 /nfs/dbraw/zinc/19/77/55/1135197755.db2.gz IIQTWEXKOJXYGH-UHFFFAOYSA-N -1 1 339.416 3.884 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cccs2)cc1 ZINC001193923728 1135205447 /nfs/dbraw/zinc/20/54/47/1135205447.db2.gz AYQLFIIVHVWFRZ-UHFFFAOYSA-N -1 1 330.434 3.798 20 0 EHADMM O=S(=O)([N-][C@@H]1CC12CCC2)c1c(Cl)cccc1C(F)(F)F ZINC001194485288 1135277562 /nfs/dbraw/zinc/27/75/62/1135277562.db2.gz ZIHUODCCHUZHJJ-SNVBAGLBSA-N -1 1 339.766 3.580 20 0 EHADMM COc1ccc2cc([N-]S(=O)(=O)c3c(C)cccc3C)cnc2c1 ZINC001194609948 1135286341 /nfs/dbraw/zinc/28/63/41/1135286341.db2.gz ROYPSAMFTSKIRA-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM O=C(Nc1ccc(Cc2ccncc2)cc1)c1c[n-]c(C(F)(F)F)n1 ZINC001194782555 1135315030 /nfs/dbraw/zinc/31/50/30/1135315030.db2.gz TZCHHXMTORDVBN-UHFFFAOYSA-N -1 1 346.312 3.667 20 0 EHADMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C(C)(C)C(C)(F)F ZINC001130441028 1135353537 /nfs/dbraw/zinc/35/35/37/1135353537.db2.gz QIZDUWYMKCBOCI-UHFFFAOYSA-N -1 1 341.732 3.990 20 0 EHADMM O=c1[n-]cnc(NC2=CC[C@H](C(F)(F)F)CC2)c1Br ZINC001196889246 1135622541 /nfs/dbraw/zinc/62/25/41/1135622541.db2.gz LFGJCBHAIHXTFD-LURJTMIESA-N -1 1 338.127 3.603 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccnc2C2CCC2)c(C)c1 ZINC001196858137 1135624015 /nfs/dbraw/zinc/62/40/15/1135624015.db2.gz PKPOHMHIRUDHIM-UHFFFAOYSA-N -1 1 346.452 3.775 20 0 EHADMM [O-]c1cc(Cl)cnc1NC(=S)NCc1ccc(Cl)cc1 ZINC001197554413 1135704832 /nfs/dbraw/zinc/70/48/32/1135704832.db2.gz OTUUBJWVEIQHDW-UHFFFAOYSA-N -1 1 328.224 3.581 20 0 EHADMM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(Cl)c(F)c2)c(F)c1F ZINC000808671718 1135714412 /nfs/dbraw/zinc/71/44/12/1135714412.db2.gz OGNPGQMYXXABJY-UHFFFAOYSA-N -1 1 346.667 3.746 20 0 EHADMM Cc1ccc(NC(=S)Nc2nc(Br)ccc2[O-])cc1 ZINC001197898877 1135747667 /nfs/dbraw/zinc/74/76/67/1135747667.db2.gz FXRFVHYJSROFPH-UHFFFAOYSA-N -1 1 338.230 3.667 20 0 EHADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1 ZINC001198106094 1135776352 /nfs/dbraw/zinc/77/63/52/1135776352.db2.gz WDZBYYNRWNRMQQ-UHFFFAOYSA-N -1 1 327.409 3.554 20 0 EHADMM CCCCOc1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccn1 ZINC001198827732 1135857025 /nfs/dbraw/zinc/85/70/25/1135857025.db2.gz ZTGQLQWASKOYQK-UHFFFAOYSA-N -1 1 346.408 3.808 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c2cnccc12)c1ccc2occc2c1 ZINC001198868587 1135864392 /nfs/dbraw/zinc/86/43/92/1135864392.db2.gz JITUSOZFVZZPIS-UHFFFAOYSA-N -1 1 342.351 3.921 20 0 EHADMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccc2nccn2c1 ZINC001201270659 1136002556 /nfs/dbraw/zinc/00/25/56/1136002556.db2.gz KUOOJZGFRWKNOA-UHFFFAOYSA-N -1 1 344.465 3.734 20 0 EHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(OC(F)(F)F)c1 ZINC000776166287 1136018860 /nfs/dbraw/zinc/01/88/60/1136018860.db2.gz GGRQUHGQQSANDJ-VIFPVBQESA-N -1 1 343.276 3.921 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cn1 ZINC001201792448 1136062783 /nfs/dbraw/zinc/06/27/83/1136062783.db2.gz HQHYABQXPUNYCS-UHFFFAOYSA-N -1 1 348.468 3.742 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(C)C)cn2)c1 ZINC000811262496 1136064447 /nfs/dbraw/zinc/06/44/47/1136064447.db2.gz LXUPVXSGWOUYNL-UHFFFAOYSA-N -1 1 327.380 3.513 20 0 EHADMM CCOc1ccccc1NC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001202138481 1136098520 /nfs/dbraw/zinc/09/85/20/1136098520.db2.gz KUHUNOWEQQVUMA-UHFFFAOYSA-N -1 1 338.367 3.621 20 0 EHADMM COc1ccccc1CN(OC)C(=O)c1ccc2ccccc2c1[O-] ZINC000812367707 1136199432 /nfs/dbraw/zinc/19/94/32/1136199432.db2.gz LZPWHSWEFRCJNS-UHFFFAOYSA-N -1 1 337.375 3.758 20 0 EHADMM CC[C@@H](C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000007647261 1136319749 /nfs/dbraw/zinc/31/97/49/1136319749.db2.gz LUHSGUYEZUQCMK-MRXNPFEDSA-N -1 1 338.359 3.736 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)n1 ZINC000747859653 1136345584 /nfs/dbraw/zinc/34/55/84/1136345584.db2.gz VJLTUPMWIKLONG-ZHACJKMWSA-N -1 1 338.816 3.546 20 0 EHADMM CCOC(=O)c1nc(NC(=O)CC=Cc2ccc(C)cc2)[n-]c1Cl ZINC001133885445 1136354820 /nfs/dbraw/zinc/35/48/20/1136354820.db2.gz LQJIABNRMCZNET-SNAWJCMRSA-N -1 1 347.802 3.590 20 0 EHADMM CCOC(=O)c1nc(NC(=O)C[C@@H](CC)c2ccccc2)[n-]c1Cl ZINC001134101835 1136406763 /nfs/dbraw/zinc/40/67/63/1136406763.db2.gz WAXMRAHJKAKJGE-LLVKDONJSA-N -1 1 349.818 3.762 20 0 EHADMM O=c1cc(CSc2ncnc3ccccc32)c2ccc([O-])cc2o1 ZINC000008189416 1136430930 /nfs/dbraw/zinc/43/09/30/1136430930.db2.gz HXZLZMCBZWKMSK-UHFFFAOYSA-N -1 1 336.372 3.734 20 0 EHADMM Cc1nc(COc2ccc(NCc3cccc([O-])c3Cl)cc2)no1 ZINC000815132306 1136560161 /nfs/dbraw/zinc/56/01/61/1136560161.db2.gz RRXYKGKLXBAACF-UHFFFAOYSA-N -1 1 345.786 3.928 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000885680525 1136619659 /nfs/dbraw/zinc/61/96/59/1136619659.db2.gz TWBSSSWSOLPIAK-ZACCUICWSA-N -1 1 339.794 3.909 20 0 EHADMM C[C@](O)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000815852454 1136645109 /nfs/dbraw/zinc/64/51/09/1136645109.db2.gz VERPJIPYFPKMHS-OAHLLOKOSA-N -1 1 326.179 3.545 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCSC[C@H]1C1CC1 ZINC000888488990 1136681122 /nfs/dbraw/zinc/68/11/22/1136681122.db2.gz BHPKIYIAUSRUFK-ZDUSSCGKSA-N -1 1 345.386 3.769 20 0 EHADMM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cncc([O-])c1 ZINC000338978703 1136719368 /nfs/dbraw/zinc/71/93/68/1136719368.db2.gz TZZXKYIBDLKIGU-OAHLLOKOSA-N -1 1 336.313 3.687 20 0 EHADMM CC(C)Cc1nsc([N-]C(=O)c2nc(Cl)ccc2Cl)n1 ZINC000855705086 1136719680 /nfs/dbraw/zinc/71/96/80/1136719680.db2.gz AMTOLLAOHURTQN-UHFFFAOYSA-N -1 1 331.228 3.691 20 0 EHADMM Cc1ccc2c(CSc3nc(C)c(C)c(=O)[n-]3)cc(=O)oc2c1 ZINC000776867161 1136749508 /nfs/dbraw/zinc/74/95/08/1136749508.db2.gz GDFBFSWIRBDPJI-UHFFFAOYSA-N -1 1 328.393 3.506 20 0 EHADMM CNC(=O)Oc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000817023140 1136771244 /nfs/dbraw/zinc/77/12/44/1136771244.db2.gz FPARBVFDJBXWDI-UHFFFAOYSA-N -1 1 336.347 3.516 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)[C@@H]1OCCc2sccc21 ZINC000817051821 1136772533 /nfs/dbraw/zinc/77/25/33/1136772533.db2.gz QOMTVFBWTGXLTI-VFZGTOFNSA-N -1 1 337.828 3.539 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000817105674 1136776852 /nfs/dbraw/zinc/77/68/52/1136776852.db2.gz BJQQBLPBEQFMDB-MRXNPFEDSA-N -1 1 339.439 3.634 20 0 EHADMM O=C([N-]Cc1cscn1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857442993 1136871500 /nfs/dbraw/zinc/87/15/00/1136871500.db2.gz DEDMUYYEXPPXEB-UHFFFAOYSA-N -1 1 337.178 3.858 20 0 EHADMM O=C([N-][C@@H](C1CCCCC1)C(F)(F)F)C(F)(F)C1(O)CCCC1 ZINC000857462920 1136873606 /nfs/dbraw/zinc/87/36/06/1136873606.db2.gz RCZPEQDWRCDHQT-NSHDSACASA-N -1 1 343.336 3.554 20 0 EHADMM O=C([N-]Cc1ncccc1O)C(F)(F)c1cccc(Cl)c1Cl ZINC000857499531 1136877228 /nfs/dbraw/zinc/87/72/28/1136877228.db2.gz QQWXRZXISKKIBN-UHFFFAOYSA-N -1 1 347.148 3.502 20 0 EHADMM COC(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])c2ccccc12 ZINC001170927484 1136943976 /nfs/dbraw/zinc/94/39/76/1136943976.db2.gz KPLVLCRUQZEKLZ-UHFFFAOYSA-N -1 1 339.322 3.723 20 0 EHADMM O=C(Nc1nc2ccc(Cl)nc2s1)c1c(F)ccc([O-])c1F ZINC000819569440 1136950766 /nfs/dbraw/zinc/95/07/66/1136950766.db2.gz NHWGVWKOTQXTOH-UHFFFAOYSA-N -1 1 341.726 3.581 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)Oc1ccc(NC(=O)C2CC2)cc1 ZINC001136268112 1136962617 /nfs/dbraw/zinc/96/26/17/1136962617.db2.gz AKQZGUNYBFYAJZ-UHFFFAOYSA-N -1 1 345.782 3.542 20 0 EHADMM COc1cccc(S([O-])=CC(=O)Oc2ccccc2C(C)C)c1 ZINC000819942676 1136968662 /nfs/dbraw/zinc/96/86/62/1136968662.db2.gz BWOHXPJURYREEC-QHCPKHFHSA-N -1 1 332.421 3.532 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)nc1 ZINC000116603501 1137008322 /nfs/dbraw/zinc/00/83/22/1137008322.db2.gz YWTVEOHWPPDNBE-CMDGGOBGSA-N -1 1 340.857 3.870 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(C)CCC(F)(F)CC2)c1 ZINC000860192273 1137048670 /nfs/dbraw/zinc/04/86/70/1137048670.db2.gz BLIWHJUPCOOKOX-UHFFFAOYSA-N -1 1 340.366 3.896 20 0 EHADMM Cc1csc([C@H](C)NC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001136588770 1137063299 /nfs/dbraw/zinc/06/32/99/1137063299.db2.gz OGQVHLSFENOZAO-JTQLQIEISA-N -1 1 328.393 3.507 20 0 EHADMM C[C@@H]1[C@H](C)CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])[C@H]1C ZINC000822944862 1137080169 /nfs/dbraw/zinc/08/01/69/1137080169.db2.gz XWIITTZZCOXHAW-UPJWGTAASA-N -1 1 327.380 3.581 20 0 EHADMM O=C(Nc1cccc(CSC2CCCC2)c1)c1cnncc1[O-] ZINC001136853198 1137131855 /nfs/dbraw/zinc/13/18/55/1137131855.db2.gz BTXGVRLOQWOUOH-UHFFFAOYSA-N -1 1 329.425 3.610 20 0 EHADMM CC[C@@H]1C[C@H](Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CCO1 ZINC000825011594 1137160212 /nfs/dbraw/zinc/16/02/12/1137160212.db2.gz PLWLZPNVUFBLQW-UKRRQHHQSA-N -1 1 344.377 3.543 20 0 EHADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ncc3ccccc3c2[O-])c1 ZINC001137035146 1137177543 /nfs/dbraw/zinc/17/75/43/1137177543.db2.gz LWBSANDDOFMZBE-HNNXBMFYSA-N -1 1 334.419 3.918 20 0 EHADMM [O-]c1cc(F)c(C[N@@H+](Cc2ccccc2)C2CCOCC2)cc1F ZINC001144657983 1137322398 /nfs/dbraw/zinc/32/23/98/1137322398.db2.gz QCWZUHQHRKRPEK-UHFFFAOYSA-N -1 1 333.378 3.852 20 0 EHADMM C[C@@]1(CC[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@]1(F)Cl ZINC000845973670 1137322576 /nfs/dbraw/zinc/32/25/76/1137322576.db2.gz BNNWGMVOWSITRT-ZIAGYGMSSA-N -1 1 349.786 3.555 20 0 EHADMM C[C@]1(c2ccc(F)cc2)CN(Cc2cc(F)c([O-])cc2F)CCO1 ZINC001144657866 1137323544 /nfs/dbraw/zinc/32/35/44/1137323544.db2.gz LFGYIVXHQOTSDR-GOSISDBHSA-N -1 1 337.341 3.557 20 0 EHADMM O=C([O-])c1ccsc1CN1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001144684847 1137329650 /nfs/dbraw/zinc/32/96/50/1137329650.db2.gz FUVNEZKIWIGRKD-RYUDHWBXSA-N -1 1 348.855 3.563 20 0 EHADMM CCN(Cc1cccc(C(=O)[O-])c1Cl)C[C@H](O)c1ccc(C)cc1 ZINC000846250789 1137343954 /nfs/dbraw/zinc/34/39/54/1137343954.db2.gz SUSLVTZEOIJZNO-KRWDZBQOSA-N -1 1 347.842 3.902 20 0 EHADMM CCN(Cc1cccc(C(=O)[O-])c1Cl)C[C@@H](O)c1ccc(C)cc1 ZINC000846250790 1137344054 /nfs/dbraw/zinc/34/40/54/1137344054.db2.gz SUSLVTZEOIJZNO-QGZVFWFLSA-N -1 1 347.842 3.902 20 0 EHADMM O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001146642309 1137392752 /nfs/dbraw/zinc/39/27/52/1137392752.db2.gz FOYZZMWKTIORDO-UHFFFAOYSA-N -1 1 348.280 3.505 20 0 EHADMM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cscn1 ZINC001147360576 1137405380 /nfs/dbraw/zinc/40/53/80/1137405380.db2.gz LATYESIHJFOIIG-UHFFFAOYSA-N -1 1 336.756 3.582 20 0 EHADMM CC1(C)CCC[C@](O)(CNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC001171305158 1137406994 /nfs/dbraw/zinc/40/69/94/1137406994.db2.gz FNCORCSQHLROKG-OAQYLSRUSA-N -1 1 341.451 3.997 20 0 EHADMM CCc1ccc(O)c(C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC001148517250 1137426398 /nfs/dbraw/zinc/42/63/98/1137426398.db2.gz QYHZWBOSLPJLDD-UHFFFAOYSA-N -1 1 333.750 3.876 20 0 EHADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1cnc2ccccn21 ZINC001148798804 1137435203 /nfs/dbraw/zinc/43/52/03/1137435203.db2.gz DPFXZDUKBRNWCD-SNVBAGLBSA-N -1 1 349.312 3.550 20 0 EHADMM Cn1cnc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])cc21 ZINC001148801291 1137435246 /nfs/dbraw/zinc/43/52/46/1137435246.db2.gz XSJZDGSKADTBPV-UHFFFAOYSA-N -1 1 335.285 3.550 20 0 EHADMM O=C(Nc1cnc2c(c1)COCC2)c1cccc(-c2ccccc2)c1[O-] ZINC001148861849 1137436368 /nfs/dbraw/zinc/43/63/68/1137436368.db2.gz ZUXQZJYFFABFGP-UHFFFAOYSA-N -1 1 346.386 3.779 20 0 EHADMM Cc1ccc2c(n[nH]c2NC(=O)c2cccc(-c3ccccc3)c2[O-])n1 ZINC001148860951 1137436387 /nfs/dbraw/zinc/43/63/87/1137436387.db2.gz DFCPDGMXHNCXMI-UHFFFAOYSA-N -1 1 344.374 3.891 20 0 EHADMM Cn1nc2c(c1NC(=O)c1cccc(-c3ccccc3)c1[O-])CCC2 ZINC001148861861 1137436527 /nfs/dbraw/zinc/43/65/27/1137436527.db2.gz ZXXQKIDTTCQYSB-UHFFFAOYSA-N -1 1 333.391 3.534 20 0 EHADMM CC1(C)C[C@@H](NC(=O)c2cccc(-c3ccccc3)c2[O-])CCO1 ZINC001148872987 1137436935 /nfs/dbraw/zinc/43/69/35/1137436935.db2.gz OZWOYCUOMAWCJS-HNNXBMFYSA-N -1 1 325.408 3.747 20 0 EHADMM O=C(NC1(c2cccnc2)CC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872935 1137437008 /nfs/dbraw/zinc/43/70/08/1137437008.db2.gz LRYYYNNIWJDZLB-UHFFFAOYSA-N -1 1 330.387 3.873 20 0 EHADMM CC(C)CCC[C@@H](C)NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148996417 1137438891 /nfs/dbraw/zinc/43/88/91/1137438891.db2.gz MMQFHUCDRKMZKH-SNVBAGLBSA-N -1 1 344.249 3.805 20 0 EHADMM Cc1ccc(-c2cc([N-]S(=O)(=O)C=Cc3ccc(C)cc3)n[nH]2)o1 ZINC000773280830 1137486128 /nfs/dbraw/zinc/48/61/28/1137486128.db2.gz ZMTXNQSIQCYSHG-KTKRTIGZSA-N -1 1 343.408 3.699 20 0 EHADMM O=C(Cc1scnc1-c1ccccc1)[N-]OCCCC(F)(F)F ZINC000871215850 1137527692 /nfs/dbraw/zinc/52/76/92/1137527692.db2.gz IHMARJVNJYGGQA-UHFFFAOYSA-N -1 1 344.358 3.743 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1C(C)C ZINC000872002850 1137564279 /nfs/dbraw/zinc/56/42/79/1137564279.db2.gz CHTMZCUIJOJWBJ-UHFFFAOYSA-N -1 1 338.404 3.544 20 0 EHADMM CC1(C)CN(Cn2[n-]c(-c3ccccn3)nc2=S)[C@H]1c1ccco1 ZINC000872634311 1137582229 /nfs/dbraw/zinc/58/22/29/1137582229.db2.gz NYFBSAHUJYNVSC-AWEZNQCLSA-N -1 1 341.440 3.636 20 0 EHADMM CCOCc1ccccc1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872820117 1137585039 /nfs/dbraw/zinc/58/50/39/1137585039.db2.gz IPEOIQLADUAPQO-UHFFFAOYSA-N -1 1 348.830 3.582 20 0 EHADMM CC(C)c1csc(CNC(=O)NCc2ccc([O-])c(Cl)c2)n1 ZINC000872943049 1137586755 /nfs/dbraw/zinc/58/67/55/1137586755.db2.gz XLQBEPZAEODCMW-UHFFFAOYSA-N -1 1 339.848 3.625 20 0 EHADMM CCc1cnccc1[C@@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872959676 1137587024 /nfs/dbraw/zinc/58/70/24/1137587024.db2.gz UFBPQBXPCGNRSS-LLVKDONJSA-N -1 1 333.819 3.563 20 0 EHADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc(Br)ccc1[O-] ZINC001137069217 1137593368 /nfs/dbraw/zinc/59/33/68/1137593368.db2.gz UMSOUKFOVNOIJL-TZMCWYRMSA-N -1 1 338.245 3.853 20 0 EHADMM CCCN(CCC)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000021221047 1137637993 /nfs/dbraw/zinc/63/79/93/1137637993.db2.gz GBFBRLFAHDVKNL-UHFFFAOYSA-N -1 1 346.500 3.955 20 0 EHADMM C[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876398189 1137650854 /nfs/dbraw/zinc/65/08/54/1137650854.db2.gz DNINWHQHPPWOEA-CYBMUJFWSA-N -1 1 336.741 3.530 20 0 EHADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396731 1137650866 /nfs/dbraw/zinc/65/08/66/1137650866.db2.gz NXHMFOJSLFNMFS-WPRPVWTQSA-N -1 1 336.741 3.528 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC(c2ccco2)CC1 ZINC000876399594 1137650940 /nfs/dbraw/zinc/65/09/40/1137650940.db2.gz QMDPCSXMIXRIEU-UHFFFAOYSA-N -1 1 334.803 3.728 20 0 EHADMM Cc1cccc(C)c1OC[C@H](NC(=O)c1ccc([O-])cn1)C(C)(C)C ZINC001137546446 1137683701 /nfs/dbraw/zinc/68/37/01/1137683701.db2.gz SYVYSRATTIVCSP-KRWDZBQOSA-N -1 1 342.439 3.628 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2csc(-c3ncc[nH]3)n2)s1 ZINC000878086940 1137701859 /nfs/dbraw/zinc/70/18/59/1137701859.db2.gz DFLQVKZCAKVSHK-UHFFFAOYSA-N -1 1 348.457 3.541 20 0 EHADMM CC1(C)CCC[C@@H](CSc2nc([O-])cc(=O)n2C2CCCC2)O1 ZINC000882096425 1137821139 /nfs/dbraw/zinc/82/11/39/1137821139.db2.gz RZCHEVMCRSGDCT-ZDUSSCGKSA-N -1 1 338.473 3.504 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CCCCO2)CC1 ZINC000882429956 1137826826 /nfs/dbraw/zinc/82/68/26/1137826826.db2.gz MEVXCRZMJOQGSN-UHFFFAOYSA-N -1 1 325.408 3.721 20 0 EHADMM CC[C@H](C)[C@H](C)NC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000109093444 1137891047 /nfs/dbraw/zinc/89/10/47/1137891047.db2.gz PQQRYKYMIWXFJK-QWRGUYRKSA-N -1 1 338.502 3.610 20 0 EHADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(Cl)cc1[O-])CCC2 ZINC000110531541 1137901744 /nfs/dbraw/zinc/90/17/44/1137901744.db2.gz KTMQXUYORFJEAR-ZDUSSCGKSA-N -1 1 336.844 3.960 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1cc(F)ccc1F ZINC001202646326 1137905841 /nfs/dbraw/zinc/90/58/41/1137905841.db2.gz VOEJNJMWIABLNP-UHFFFAOYSA-N -1 1 330.294 3.500 20 0 EHADMM COc1cc(C(=O)N2CCC[C@@H]2c2ccc(C)o2)cc(Cl)c1[O-] ZINC000331813812 1137921797 /nfs/dbraw/zinc/92/17/97/1137921797.db2.gz ODISRYBJULQOIB-CYBMUJFWSA-N -1 1 335.787 3.933 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1csc([C@@H]2CCCO2)n1 ZINC000885676682 1138017790 /nfs/dbraw/zinc/01/77/90/1138017790.db2.gz RRLJEDRSKWKUSK-LBPRGKRZSA-N -1 1 342.779 3.745 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cnn(CC2CCCC2)c1 ZINC000885680074 1138018236 /nfs/dbraw/zinc/01/82/36/1138018236.db2.gz LFHONQOQZRZOCK-UHFFFAOYSA-N -1 1 337.782 3.824 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)[C@H]1CCCc2sccc21 ZINC000886266504 1138062790 /nfs/dbraw/zinc/06/27/90/1138062790.db2.gz OLMLYMVAZYJWMS-LBPRGKRZSA-N -1 1 337.391 3.511 20 0 EHADMM CC(C)n1c(CCNC(=O)CC(C)(C)c2ccccc2)n[n-]c1=S ZINC000067073654 1138079965 /nfs/dbraw/zinc/07/99/65/1138079965.db2.gz NCYNQZUVPSGAOR-UHFFFAOYSA-N -1 1 346.500 3.548 20 0 EHADMM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]1c1ccccc1 ZINC000886543527 1138094029 /nfs/dbraw/zinc/09/40/29/1138094029.db2.gz QGECZTYIRMNBCR-WBMJQRKESA-N -1 1 325.437 3.980 20 0 EHADMM CCCOc1ccccc1NC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000085550859 1138184535 /nfs/dbraw/zinc/18/45/35/1138184535.db2.gz NPVHFYWHEFARDX-UHFFFAOYSA-N -1 1 349.460 3.632 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000092427996 1138228332 /nfs/dbraw/zinc/22/83/32/1138228332.db2.gz HPSPACAHLGJAJC-WMZOPIPTSA-N -1 1 337.419 3.909 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000093913252 1138242759 /nfs/dbraw/zinc/24/27/59/1138242759.db2.gz MVZQEFCRBBKSOC-CQSZACIVSA-N -1 1 347.212 3.527 20 0 EHADMM Cc1cccc(C)c1CN(C)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000887960985 1138994505 /nfs/dbraw/zinc/99/45/05/1138994505.db2.gz ZCIPJDONXITPPB-UHFFFAOYSA-N -1 1 341.455 3.677 20 0 EHADMM COc1ccccc1[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000153112716 1139123238 /nfs/dbraw/zinc/12/32/38/1139123238.db2.gz BLVIWRWYBMHTQP-GFCCVEGCSA-N -1 1 331.799 3.684 20 0 EHADMM CCN(c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1)C(C)C ZINC000357383275 1139701948 /nfs/dbraw/zinc/70/19/48/1139701948.db2.gz XUWMOXZZTVEPCI-UHFFFAOYSA-N -1 1 333.819 3.928 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccncc1)C1CC1 ZINC000180427754 1139833526 /nfs/dbraw/zinc/83/35/26/1139833526.db2.gz IQCXTIUWDJSYLE-UHFFFAOYSA-N -1 1 336.313 3.611 20 0 EHADMM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc([O-])cc1F ZINC000181910255 1139939896 /nfs/dbraw/zinc/93/98/96/1139939896.db2.gz PWJVCZNZFGCHRB-CQSZACIVSA-N -1 1 345.370 3.732 20 0 EHADMM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182860538 1139997634 /nfs/dbraw/zinc/99/76/34/1139997634.db2.gz ZEUCAFVDWZKIEM-ZDUSSCGKSA-N -1 1 342.823 3.533 20 0 EHADMM Cc1c(=O)[n-]c(SCc2ccn(C(C)C)n2)nc1-c1ccccc1 ZINC000184880436 1140123878 /nfs/dbraw/zinc/12/38/78/1140123878.db2.gz CPCDCCXGKZUMJV-UHFFFAOYSA-N -1 1 340.452 3.815 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc(Cl)c1[O-] ZINC000186872558 1140226253 /nfs/dbraw/zinc/22/62/53/1140226253.db2.gz GKBCVMCGQVNWDY-XOKHGSTOSA-N -1 1 343.810 3.512 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000191891380 1140491586 /nfs/dbraw/zinc/49/15/86/1140491586.db2.gz IBUXXEVBRJHMKY-UHFFFAOYSA-N -1 1 333.453 3.800 20 0 EHADMM CCC[C@H]1CCc2nc(NC([O-])=NO[C@H]3CCCCO3)sc2C1 ZINC000194547529 1140614034 /nfs/dbraw/zinc/61/40/34/1140614034.db2.gz YHPAMJDOQYUSQH-FZMZJTMJSA-N -1 1 339.461 3.628 20 0 EHADMM CCC[C@H]1CCc2nc(NC(=O)[N-]O[C@H]3CCCCO3)sc2C1 ZINC000194547529 1140614037 /nfs/dbraw/zinc/61/40/37/1140614037.db2.gz YHPAMJDOQYUSQH-FZMZJTMJSA-N -1 1 339.461 3.628 20 0 EHADMM O=C([O-])CCC1CCN(Cc2sccc2Br)CC1 ZINC000050926626 214073711 /nfs/dbraw/zinc/07/37/11/214073711.db2.gz INNNNXAHDPCSEA-UHFFFAOYSA-N -1 1 332.263 3.587 20 0 EHADMM CCC(CC)(CNc1cc(-c2nnn[n-]2)nc2ccccc21)SC ZINC000820887697 599084782 /nfs/dbraw/zinc/08/47/82/599084782.db2.gz MNCZRPWRKXEZMW-UHFFFAOYSA-N -1 1 342.472 3.749 20 0 EHADMM CCC(CC)(CNc1cc(-c2nn[n-]n2)nc2ccccc21)SC ZINC000820887697 599084785 /nfs/dbraw/zinc/08/47/85/599084785.db2.gz MNCZRPWRKXEZMW-UHFFFAOYSA-N -1 1 342.472 3.749 20 0 EHADMM CCOc1ccc(-c2nc(CN3CCC(C(=O)[O-])CC3)cs2)cc1 ZINC000262638365 596919040 /nfs/dbraw/zinc/91/90/40/596919040.db2.gz IKJKCHYAOYTBCI-UHFFFAOYSA-N -1 1 346.452 3.505 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676232821 597073502 /nfs/dbraw/zinc/07/35/02/597073502.db2.gz HFUBOXNPEXYLCJ-NEPJUHHUSA-N -1 1 337.370 3.679 20 0 EHADMM Cc1csc(-c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2)n1 ZINC000822410189 607315085 /nfs/dbraw/zinc/31/50/85/607315085.db2.gz YSILSVVOVJQPNV-UHFFFAOYSA-N -1 1 338.396 3.504 20 0 EHADMM Cc1csc(-c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2)n1 ZINC000822410189 607315086 /nfs/dbraw/zinc/31/50/86/607315086.db2.gz YSILSVVOVJQPNV-UHFFFAOYSA-N -1 1 338.396 3.504 20 0 EHADMM FC(F)Sc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822736980 607316565 /nfs/dbraw/zinc/31/65/65/607316565.db2.gz NGDPUIXKVFXTOG-UHFFFAOYSA-N -1 1 339.396 3.855 20 0 EHADMM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000820676092 599484911 /nfs/dbraw/zinc/48/49/11/599484911.db2.gz LPKKLKOJUPUOCG-RISCZKNCSA-N -1 1 346.394 3.743 20 0 EHADMM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000820676092 599484913 /nfs/dbraw/zinc/48/49/13/599484913.db2.gz LPKKLKOJUPUOCG-RISCZKNCSA-N -1 1 346.394 3.743 20 0 EHADMM C[C@@H](Cc1ccsc1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820306663 599490329 /nfs/dbraw/zinc/49/03/29/599490329.db2.gz BKAMCNBWJXTZJS-NSHDSACASA-N -1 1 336.424 3.520 20 0 EHADMM C[C@@H](Cc1ccsc1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820306663 599490331 /nfs/dbraw/zinc/49/03/31/599490331.db2.gz BKAMCNBWJXTZJS-NSHDSACASA-N -1 1 336.424 3.520 20 0 EHADMM CCCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CC1 ZINC000737007835 600103271 /nfs/dbraw/zinc/10/32/71/600103271.db2.gz OPWDQCSSDPVXFG-UHFFFAOYSA-N -1 1 345.226 3.505 20 0 EHADMM O=C([O-])c1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc1 ZINC000740099394 600246408 /nfs/dbraw/zinc/24/64/08/600246408.db2.gz ICEPOEQZAROYLN-UHFFFAOYSA-N -1 1 338.348 3.553 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1ncc(-c3ccc(Cl)cc3)o1)CC2 ZINC000405355367 600310769 /nfs/dbraw/zinc/31/07/69/600310769.db2.gz IDJYQTLSQFFPEN-CQSZACIVSA-N -1 1 346.814 3.682 20 0 EHADMM CC(C)COc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736447736 600427338 /nfs/dbraw/zinc/42/73/38/600427338.db2.gz FTVLZRSPPRWPOW-GOSISDBHSA-N -1 1 331.387 3.776 20 0 EHADMM CC[C@@H]1c2ccccc2CCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000736949675 600427614 /nfs/dbraw/zinc/42/76/14/600427614.db2.gz LQMONQRREZAQHJ-GOSISDBHSA-N -1 1 335.407 3.701 20 0 EHADMM CC[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1F ZINC000736920213 600452816 /nfs/dbraw/zinc/45/28/16/600452816.db2.gz KLGXVCLXFAXGAJ-QGZVFWFLSA-N -1 1 335.350 3.669 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CCSC[C@H]1c1ccccc1 ZINC000740080160 600630486 /nfs/dbraw/zinc/63/04/86/600630486.db2.gz XJFFTIPRWXSOJD-KRWDZBQOSA-N -1 1 331.412 3.814 20 0 EHADMM O=C([O-])[C@H](N[C@H]1CCSc2c(F)cccc21)c1ccccc1F ZINC000833167702 600734927 /nfs/dbraw/zinc/73/49/27/600734927.db2.gz OURBBFICJWXUEL-LSDHHAIUSA-N -1 1 335.375 3.917 20 0 EHADMM COc1ccccc1CN(Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000565249848 601619771 /nfs/dbraw/zinc/61/97/71/601619771.db2.gz JPWIKQBEWQELJK-UHFFFAOYSA-N -1 1 329.371 3.697 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 ZINC000766737806 601635100 /nfs/dbraw/zinc/63/51/00/601635100.db2.gz CMVQNXACWPAARN-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM CC[C@@H](C)c1ccc(NC(=O)CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000828764423 601841846 /nfs/dbraw/zinc/84/18/46/601841846.db2.gz JBCSRBMKRRAJKP-OAHLLOKOSA-N -1 1 346.471 3.715 20 0 EHADMM O=C([O-])c1ccc(CSc2nc(-c3ccccc3F)n[nH]2)s1 ZINC000833316771 601890705 /nfs/dbraw/zinc/89/07/05/601890705.db2.gz DQYAFNWDKSXIIL-UHFFFAOYSA-N -1 1 335.385 3.663 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)c(OC)c1 ZINC000581374919 601938303 /nfs/dbraw/zinc/93/83/03/601938303.db2.gz HQBWXUCSMLRPBJ-OAHLLOKOSA-N -1 1 347.436 3.801 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(C(=O)[O-])s1 ZINC000828509024 601955644 /nfs/dbraw/zinc/95/56/44/601955644.db2.gz LPFDDDHPLWYPLH-IIYDPXPESA-N -1 1 331.437 3.797 20 0 EHADMM COc1ccc(OC)c(CN(Cc2cc(C(=O)[O-])co2)C(C)(C)C)c1 ZINC000832435714 602326235 /nfs/dbraw/zinc/32/62/35/602326235.db2.gz LNPLRNCEQIERTH-UHFFFAOYSA-N -1 1 347.411 3.796 20 0 EHADMM CC[C@H](c1ccc(F)cc1F)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739275746 602865579 /nfs/dbraw/zinc/86/55/79/602865579.db2.gz BIMXKHBBNXTZMC-BDJLRTHQSA-N -1 1 326.387 3.784 20 0 EHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739029599 603065791 /nfs/dbraw/zinc/06/57/91/603065791.db2.gz VTDXWNNPDJEJFS-UONOGXRCSA-N -1 1 343.427 3.771 20 0 EHADMM Cc1ccc(CNCc2ccc(NC(=O)[O-])nc2)c(OC(C)(C)C)c1 ZINC000830324027 603566177 /nfs/dbraw/zinc/56/61/77/603566177.db2.gz LOBHJIYJNVMSGY-UHFFFAOYSA-N -1 1 343.427 3.947 20 0 EHADMM C[C@H](C(=O)Nc1cccc(Cl)c1O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823711933 603612456 /nfs/dbraw/zinc/61/24/56/603612456.db2.gz GPZGBZBXZHOKEM-HZMBPMFUSA-N -1 1 348.786 3.629 20 0 EHADMM O=C([O-])[C@@H](NCc1cccc(F)c1Br)c1ccccc1 ZINC000156964666 604435521 /nfs/dbraw/zinc/43/55/21/604435521.db2.gz NXZNBMWJPPEWHN-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM C[C@H](Oc1ccc(CN2CCc3sccc3[C@H]2C)cc1)C(=O)[O-] ZINC000833539712 604523391 /nfs/dbraw/zinc/52/33/91/604523391.db2.gz HWLIVWHLLKUENN-OLZOCXBDSA-N -1 1 331.437 3.719 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000833771999 604654469 /nfs/dbraw/zinc/65/44/69/604654469.db2.gz WUHZVWZZZJBJPD-NSHDSACASA-N -1 1 345.773 3.628 20 0 EHADMM O=C([O-])c1occc1CNCc1ccc(OCc2ccccc2)cc1 ZINC000385701933 605076990 /nfs/dbraw/zinc/07/69/90/605076990.db2.gz GCTZGDIJLLNPPY-UHFFFAOYSA-N -1 1 337.375 3.847 20 0 EHADMM Clc1nsc(N2CCC[C@@H]2C2CCCCC2)c1-c1nnn[n-]1 ZINC000822590690 606399979 /nfs/dbraw/zinc/39/99/79/606399979.db2.gz MPRLMSOLAPXAND-SNVBAGLBSA-N -1 1 338.868 3.526 20 0 EHADMM Clc1nsc(N2CCC[C@@H]2C2CCCCC2)c1-c1nn[n-]n1 ZINC000822590690 606399981 /nfs/dbraw/zinc/39/99/81/606399981.db2.gz MPRLMSOLAPXAND-SNVBAGLBSA-N -1 1 338.868 3.526 20 0 EHADMM Clc1ccc(Sc2nc3ccccc3s2)nc1-c1nnn[n-]1 ZINC000822581405 606439615 /nfs/dbraw/zinc/43/96/15/606439615.db2.gz HPQNXPPYGTVWEO-UHFFFAOYSA-N -1 1 346.828 3.676 20 0 EHADMM Clc1ccc(Sc2nc3ccccc3s2)nc1-c1nn[n-]n1 ZINC000822581405 606439617 /nfs/dbraw/zinc/43/96/17/606439617.db2.gz HPQNXPPYGTVWEO-UHFFFAOYSA-N -1 1 346.828 3.676 20 0 EHADMM CC1(C)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1c1ccccc1 ZINC000820607397 606458151 /nfs/dbraw/zinc/45/81/51/606458151.db2.gz STHVOXARKSXJJM-HNNXBMFYSA-N -1 1 340.818 3.503 20 0 EHADMM CC1(C)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC000820607397 606458152 /nfs/dbraw/zinc/45/81/52/606458152.db2.gz STHVOXARKSXJJM-HNNXBMFYSA-N -1 1 340.818 3.503 20 0 EHADMM c1sc(Sc2cccc(-c3nnn[n-]3)n2)nc1-c1ccccc1 ZINC000826519186 607896075 /nfs/dbraw/zinc/89/60/75/607896075.db2.gz NNFQBJXXSTUTGT-UHFFFAOYSA-N -1 1 338.421 3.536 20 0 EHADMM c1sc(Sc2cccc(-c3nn[n-]n3)n2)nc1-c1ccccc1 ZINC000826519186 607896076 /nfs/dbraw/zinc/89/60/76/607896076.db2.gz NNFQBJXXSTUTGT-UHFFFAOYSA-N -1 1 338.421 3.536 20 0 EHADMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)c(C)o1 ZINC000826260463 607930201 /nfs/dbraw/zinc/93/02/01/607930201.db2.gz OYATZYFPUDKRSL-UHFFFAOYSA-N -1 1 345.428 3.688 20 0 EHADMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)c(C)o1 ZINC000826260463 607930202 /nfs/dbraw/zinc/93/02/02/607930202.db2.gz OYATZYFPUDKRSL-UHFFFAOYSA-N -1 1 345.428 3.688 20 0 EHADMM CC[C@H](C)n1ncc(NCc2ccc(-c3nn[n-]n3)s2)c1C1CC1 ZINC000825082069 608427790 /nfs/dbraw/zinc/42/77/90/608427790.db2.gz PWEXLDLATGNDFW-JTQLQIEISA-N -1 1 343.460 3.585 20 0 EHADMM Cc1nc2cc(Nc3snc(Cl)c3-c3nnn[n-]3)ccc2s1 ZINC000826329086 609316969 /nfs/dbraw/zinc/31/69/69/609316969.db2.gz PTKOLWYEYSLNEA-UHFFFAOYSA-N -1 1 349.832 3.638 20 0 EHADMM Cc1nc2cc(Nc3snc(Cl)c3-c3nn[n-]n3)ccc2s1 ZINC000826329086 609316971 /nfs/dbraw/zinc/31/69/71/609316971.db2.gz PTKOLWYEYSLNEA-UHFFFAOYSA-N -1 1 349.832 3.638 20 0 EHADMM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)c2ccncc2)cc1F ZINC000327841898 971428575 /nfs/dbraw/zinc/42/85/75/971428575.db2.gz HIWXJEQGTNFSFE-IBGZPJMESA-N -1 1 336.366 3.798 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000043585755 948889289 /nfs/dbraw/zinc/88/92/89/948889289.db2.gz DQKHCPWTOWTPQU-JTQLQIEISA-N -1 1 332.263 3.587 20 0 EHADMM Cc1csc(CNCc2ccc(C(=O)[O-])cc2Br)c1 ZINC000379198115 971612854 /nfs/dbraw/zinc/61/28/54/971612854.db2.gz KEMXNUDAMCBYDQ-UHFFFAOYSA-N -1 1 340.242 3.807 20 0 EHADMM CC(C)CC[C@@H](C)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001574184097 950774871 /nfs/dbraw/zinc/77/48/71/950774871.db2.gz DHABIYSNYGKKMF-SECBINFHSA-N -1 1 328.342 3.517 20 0 EHADMM CC(C)CC[C@@H](C)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001574184097 950774887 /nfs/dbraw/zinc/77/48/87/950774887.db2.gz DHABIYSNYGKKMF-SECBINFHSA-N -1 1 328.342 3.517 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccsc1Br ZINC000388896363 951339301 /nfs/dbraw/zinc/33/93/01/951339301.db2.gz RDBSGKUQNHJLQK-NSHDSACASA-N -1 1 332.263 3.730 20 0 EHADMM O=C([O-])[C@@H]1CN(C/C=C/c2ccc(F)c(F)c2)Cc2ccccc21 ZINC001594953948 954972121 /nfs/dbraw/zinc/97/21/21/954972121.db2.gz QYTKDQUOTTVBMD-QDLOVBKTSA-N -1 1 329.346 3.662 20 0 EHADMM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000238226698 961165919 /nfs/dbraw/zinc/16/59/19/961165919.db2.gz JROUKFVOLMGHMT-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM CN(Cc1ccc(Cl)cc1Br)C(C)(C)CC(=O)[O-] ZINC001334795538 961831628 /nfs/dbraw/zinc/83/16/28/961831628.db2.gz ZNRZXXXKCDPZDQ-UHFFFAOYSA-N -1 1 334.641 3.788 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000652497157 968636465 /nfs/dbraw/zinc/63/64/65/968636465.db2.gz NGDSPGMZYQBMLT-GRYCIOLGSA-N -1 1 337.370 3.535 20 0 EHADMM CN(CCC1(C(=O)[O-])CCC1)Cc1ccc(F)cc1Br ZINC000903701221 969592487 /nfs/dbraw/zinc/59/24/87/969592487.db2.gz MUDHZMGPSDDMKY-UHFFFAOYSA-N -1 1 344.224 3.665 20 0 EHADMM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000320690421 970699894 /nfs/dbraw/zinc/69/98/94/970699894.db2.gz DOVCOAPVBDQAOM-LBPRGKRZSA-N -1 1 341.251 3.544 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(OCc3ccccc3)cc2)o1 ZINC000394151029 972678646 /nfs/dbraw/zinc/67/86/46/972678646.db2.gz QMKBPHKNHBTDPK-UHFFFAOYSA-N -1 1 337.375 3.847 20 0 EHADMM Cc1cccc(-c2nnc([C@@H](C)N3CCC[C@H](CCC(=O)[O-])C3)o2)c1 ZINC001605318962 973151518 /nfs/dbraw/zinc/15/15/18/973151518.db2.gz RRUPSYWUPGMGKH-HUUCEWRRSA-N -1 1 343.427 3.683 20 0 EHADMM Cn1ncc(C(=O)[O-])c1CN1CC=C(c2cccc3ccccc32)CC1 ZINC001605549668 973761509 /nfs/dbraw/zinc/76/15/09/973761509.db2.gz FZZYWYXCPGUBLN-UHFFFAOYSA-N -1 1 347.418 3.561 20 0 EHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000518396663 974323659 /nfs/dbraw/zinc/32/36/59/974323659.db2.gz AIITVGAVELCRKG-AFBRZQFHSA-N -1 1 347.430 3.694 20 0 EHADMM Cc1cccc(OCCN(C)Cc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000575810602 974801933 /nfs/dbraw/zinc/80/19/33/974801933.db2.gz QSTAXSYQYGRUTL-UHFFFAOYSA-N -1 1 333.815 3.857 20 0 EHADMM COCc1ccc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2C)o1 ZINC000576046262 974807006 /nfs/dbraw/zinc/80/70/06/974807006.db2.gz GGEXVHJSEHLVKL-FUHWJXTLSA-N -1 1 329.396 3.697 20 0 EHADMM Cc1oc(CN2CCC(OCc3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000652435129 975530713 /nfs/dbraw/zinc/53/07/13/975530713.db2.gz PRTDTTLTVUJRLR-UHFFFAOYSA-N -1 1 347.386 3.607 20 0 EHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000652498655 975561800 /nfs/dbraw/zinc/56/18/00/975561800.db2.gz OYMSWNPSCPVYAJ-AWEZNQCLSA-N -1 1 345.468 3.528 20 0 EHADMM C[C@@H](NC[C@H](C)Oc1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001592705391 979169011 /nfs/dbraw/zinc/16/90/11/979169011.db2.gz DQRBLJBKCBRWFX-VHSXEESVSA-N -1 1 340.832 3.613 20 0 EHADMM COc1ccccc1OCCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000846238750 979417637 /nfs/dbraw/zinc/41/76/37/979417637.db2.gz NXCUMHXSZQQWDW-UHFFFAOYSA-N -1 1 349.814 3.558 20 0 EHADMM CC[C@H](CN(CC)CC(=O)c1cc(C(=O)[O-])[nH]c1C)c1ccccc1 ZINC001595130113 979539827 /nfs/dbraw/zinc/53/98/27/979539827.db2.gz VHSJWKAZWOSRRL-OAHLLOKOSA-N -1 1 342.439 3.720 20 0 EHADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@H](C)C(C)(C)C)CC2 ZINC000872159269 980043151 /nfs/dbraw/zinc/04/31/51/980043151.db2.gz CASVNDWMRXDXFW-XJKSGUPXSA-N -1 1 349.471 3.760 20 0 EHADMM COCc1ccc([C@H]2CCCN2Cc2ccc(C)c(C(=O)[O-])c2)o1 ZINC000872160065 980045072 /nfs/dbraw/zinc/04/50/72/980045072.db2.gz YKCPZMOUAUESGJ-QGZVFWFLSA-N -1 1 329.396 3.770 20 0 EHADMM C[C@H](N[C@@H]1CCC[C@@H](CCCC(=O)[O-])C1)c1nc(C(C)(C)C)no1 ZINC000901464342 980298228 /nfs/dbraw/zinc/29/82/28/980298228.db2.gz HLLUIJHZASNMQG-MELADBBJSA-N -1 1 337.464 3.831 20 0 EHADMM O=C([O-])Cc1ccc(CNCc2ccsc2C(F)(F)F)cc1 ZINC000901539048 980366494 /nfs/dbraw/zinc/36/64/94/980366494.db2.gz GHMPHQNQQXMQBM-UHFFFAOYSA-N -1 1 329.343 3.684 20 0 EHADMM O=C([O-])[C@H]1CN(Cc2cnc(C3CCC3)s2)Cc2ccccc21 ZINC000901622569 980410407 /nfs/dbraw/zinc/41/04/07/980410407.db2.gz OUYSTKJJQICAJN-INIZCTEOSA-N -1 1 328.437 3.595 20 0 EHADMM CO[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)[C@@H](C(=O)[O-])C1 ZINC000902031881 980703165 /nfs/dbraw/zinc/70/31/65/980703165.db2.gz IDEQSFQUPYFHOU-GDBMZVCRSA-N -1 1 349.427 3.618 20 0 EHADMM CCC1(CC)CCCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC001595374556 980885400 /nfs/dbraw/zinc/88/54/00/980885400.db2.gz HVNPXEUBKJMTGR-AWEZNQCLSA-N -1 1 334.460 3.803 20 0 EHADMM COc1cc2c(cc1OC)[C@H](NCc1ccc(C(=O)[O-])o1)CCCC2 ZINC000902459668 980898227 /nfs/dbraw/zinc/89/82/27/980898227.db2.gz ZCDKZWQTSNEDRK-OAHLLOKOSA-N -1 1 345.395 3.552 20 0 EHADMM Cc1oc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902494112 980909357 /nfs/dbraw/zinc/90/93/57/980909357.db2.gz PUGQQRZRYSMGLV-CVEARBPZSA-N -1 1 335.787 3.559 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000903598324 980981778 /nfs/dbraw/zinc/98/17/78/980981778.db2.gz UGZGTSBUHPXQFB-ZDUSSCGKSA-N -1 1 347.361 3.661 20 0 EHADMM C[C@H](c1ccc(F)cc1F)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923940 981040531 /nfs/dbraw/zinc/04/05/31/981040531.db2.gz DXBKYQVGWNGTIJ-ZJUUUORDSA-N -1 1 338.379 3.670 20 0 EHADMM CCCCCC[C@@](O)(CN[C@@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001595702610 982264095 /nfs/dbraw/zinc/26/40/95/982264095.db2.gz JPXBPQXWBHYXPY-YVEFUNNKSA-N -1 1 345.842 3.916 20 0 EHADMM CCCN(C(=O)c1cc(Cl)c2ccccc2c1O)[C@H](C)C(=O)[O-] ZINC001595824816 982707747 /nfs/dbraw/zinc/70/77/47/982707747.db2.gz WPLRRMHENQEHID-SNVBAGLBSA-N -1 1 335.787 3.524 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001626348686 1014931731 /nfs/dbraw/zinc/93/17/31/1014931731.db2.gz ZABVVFHYCRWQPV-DZGCQCFKSA-N -1 1 336.218 3.914 20 0 EHADMM CCN(Cc1ccc(OC)cc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001596363297 983844595 /nfs/dbraw/zinc/84/45/95/983844595.db2.gz XFUMTGVFJMHTAY-OAHLLOKOSA-N -1 1 343.423 3.569 20 0 EHADMM C=Cn1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1 ZINC001588922224 984582015 /nfs/dbraw/zinc/58/20/15/984582015.db2.gz XQDVMMACAPGITD-CQSZACIVSA-N -1 1 340.210 3.548 20 0 EHADMM CCCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119249 1015054941 /nfs/dbraw/zinc/05/49/41/1015054941.db2.gz BHUPHDZIEBRIDS-UHFFFAOYSA-N -1 1 332.425 3.534 20 0 EHADMM C[C@]12CCCC[C@H]1CN2Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001599938143 985421992 /nfs/dbraw/zinc/42/19/92/985421992.db2.gz DMENEBRCDKTYTQ-KXBFYZLASA-N -1 1 326.396 3.804 20 0 EHADMM CC(=O)Nc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589204753 985662943 /nfs/dbraw/zinc/66/29/43/985662943.db2.gz CEXCDVBISHPNKJ-PIGZYNQJSA-N -1 1 346.814 3.775 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(Cc1ccccc1)CC1CCC1 ZINC001599958841 985739957 /nfs/dbraw/zinc/73/99/57/985739957.db2.gz GSSQQEZDDSIRRX-UHFFFAOYSA-N -1 1 340.423 3.506 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H](C)c1csc2ccccc21 ZINC001599960879 985779086 /nfs/dbraw/zinc/77/90/86/985779086.db2.gz PFCRSYAHKLNMBY-SNVBAGLBSA-N -1 1 342.420 3.770 20 0 EHADMM C[C@H]1CN(Cc2c(Br)cccc2C(=O)[O-])CCC1(F)F ZINC001594533227 986136315 /nfs/dbraw/zinc/13/63/15/986136315.db2.gz BYAZDFRTGNMVKJ-VIFPVBQESA-N -1 1 348.187 3.624 20 0 EHADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc2ccccc2[nH]1 ZINC001594567346 986361332 /nfs/dbraw/zinc/36/13/32/986361332.db2.gz DTAMKBXZLZOFRR-HNNXBMFYSA-N -1 1 349.434 3.577 20 0 EHADMM CCOc1cccc2cc([C@H](C)NCc3ccc(C(=O)[O-])n3C)oc21 ZINC001597165394 986984593 /nfs/dbraw/zinc/98/45/93/986984593.db2.gz RWDHHSIYMUDPJC-LBPRGKRZSA-N -1 1 342.395 3.719 20 0 EHADMM CCc1[nH]c(CN2CCC[C@H]2c2ccc(OC)cc2)cc1C(=O)[O-] ZINC001597386324 987602451 /nfs/dbraw/zinc/60/24/51/987602451.db2.gz IKCDLFZCNVURAN-SFHVURJKSA-N -1 1 328.412 3.621 20 0 EHADMM CCc1[nH]c(C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC001597386737 987607807 /nfs/dbraw/zinc/60/78/07/987607807.db2.gz NWCQCTVJZOPYCU-KRWDZBQOSA-N -1 1 330.453 3.565 20 0 EHADMM CCc1[nH]c(CN2CCS[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC001597386737 987607814 /nfs/dbraw/zinc/60/78/14/987607814.db2.gz NWCQCTVJZOPYCU-KRWDZBQOSA-N -1 1 330.453 3.565 20 0 EHADMM CCc1ccc(-c2n[nH]c(S[C@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC001597492350 988026985 /nfs/dbraw/zinc/02/69/85/988026985.db2.gz SXJIREVAQXMVPV-HNNXBMFYSA-N -1 1 339.420 3.952 20 0 EHADMM CCc1oc(CNCc2cccc(-c3ccccn3)c2)cc1C(=O)[O-] ZINC001597805621 989415267 /nfs/dbraw/zinc/41/52/67/989415267.db2.gz LNHPGVFLLQOURS-UHFFFAOYSA-N -1 1 336.391 3.892 20 0 EHADMM CSCc1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000109245429 1015530849 /nfs/dbraw/zinc/53/08/49/1015530849.db2.gz GMIOZGKBVYSLBF-UHFFFAOYSA-N -1 1 335.450 3.553 20 0 EHADMM COc1cccc2c1CCN([C@@H](C(=O)[O-])c1ccccc1Cl)C2 ZINC001599693507 991109303 /nfs/dbraw/zinc/10/93/03/991109303.db2.gz YVWJCEOMMSXNND-QGZVFWFLSA-N -1 1 331.799 3.533 20 0 EHADMM CN(CCCC(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1Cl ZINC001598474747 992067692 /nfs/dbraw/zinc/06/76/92/992067692.db2.gz ISUQSQWEMXJWDU-UHFFFAOYSA-N -1 1 341.835 3.592 20 0 EHADMM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cncc([O-])c1 ZINC000339816190 1015700650 /nfs/dbraw/zinc/70/06/50/1015700650.db2.gz FGVLNLJVXNKRJF-UHFFFAOYSA-N -1 1 347.374 3.600 20 0 EHADMM CC(C)COc1ccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001591401402 992473179 /nfs/dbraw/zinc/47/31/79/992473179.db2.gz NECROMQMOWPCBY-UHFFFAOYSA-N -1 1 348.830 3.758 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccc(Cl)cn1 ZINC000339848580 1015749684 /nfs/dbraw/zinc/74/96/84/1015749684.db2.gz WIAXFJOROSSWBX-UHFFFAOYSA-N -1 1 339.207 3.514 20 0 EHADMM COc1ccc2c(c1)C[C@@H](C)N(Cc1cc(C(=O)[O-])oc1C)[C@H]2C ZINC001599627142 994165419 /nfs/dbraw/zinc/16/54/19/994165419.db2.gz SNTGYRFRFLLECY-NEPJUHHUSA-N -1 1 329.396 3.803 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(F)c(F)c2)c1 ZINC000182919078 1015840837 /nfs/dbraw/zinc/84/08/37/1015840837.db2.gz LTXCMYKDKBZMSJ-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM COc1ccc2ccccc2c1CNCc1ccc(C(=O)[O-])cc1F ZINC001599634748 994270201 /nfs/dbraw/zinc/27/02/01/994270201.db2.gz FFZVZMUMZZOGMD-UHFFFAOYSA-N -1 1 339.366 3.976 20 0 EHADMM C[C@@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001593236243 994402411 /nfs/dbraw/zinc/40/24/11/994402411.db2.gz AZEMGTBVZCDDIS-LLVKDONJSA-N -1 1 344.436 3.613 20 0 EHADMM C[C@@H](NCc1[nH]cc(C(=O)[O-])c1C1CC1)c1cc(F)ccc1N(C)C ZINC001593286887 994649656 /nfs/dbraw/zinc/64/96/56/994649656.db2.gz ZARKYGYJPMQZLQ-LLVKDONJSA-N -1 1 345.418 3.646 20 0 EHADMM C[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2 ZINC001593289323 994661763 /nfs/dbraw/zinc/66/17/63/994661763.db2.gz PYEPPVSVUIJQNL-SNVBAGLBSA-N -1 1 333.771 3.618 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ncccc2Cl)c(Cl)cc1F ZINC000180201129 1015880943 /nfs/dbraw/zinc/88/09/43/1015880943.db2.gz OZFGLQKZJFWYEY-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM C[C@](NCc1ccc(Cl)cc1F)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298862 994718496 /nfs/dbraw/zinc/71/84/96/994718496.db2.gz OBZZFJPCVDOXFG-MRXNPFEDSA-N -1 1 325.742 3.708 20 0 EHADMM CNc1ccc(C)cc1CN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001598679181 994898300 /nfs/dbraw/zinc/89/83/00/994898300.db2.gz DHGLENDDVQLNOE-OAHLLOKOSA-N -1 1 345.468 3.837 20 0 EHADMM C[C@H](Oc1ccccc1CNCc1cnccc1C(C)(C)C)C(=O)[O-] ZINC001593648498 995997764 /nfs/dbraw/zinc/99/77/64/995997764.db2.gz KJQCVUSWOSIRLO-AWEZNQCLSA-N -1 1 342.439 3.521 20 0 EHADMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001593694302 996150008 /nfs/dbraw/zinc/15/00/08/996150008.db2.gz WLUMDKDNPCFCRY-NYRNMGCKSA-N -1 1 338.181 3.952 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1C ZINC000538090767 1032138098 /nfs/dbraw/zinc/13/80/98/1032138098.db2.gz RGJUNSXUUIDCBJ-UHFFFAOYSA-N -1 1 347.383 3.935 20 0 EHADMM CO[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@@H](C)C1 ZINC001599122742 997769349 /nfs/dbraw/zinc/76/93/49/997769349.db2.gz FKYWCZVBMDKNMG-BLLLJJGKSA-N -1 1 346.452 3.508 20 0 EHADMM Cc1nc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)co1 ZINC000683344843 1016284092 /nfs/dbraw/zinc/28/40/92/1016284092.db2.gz FUHINTYMZGLJTD-CYBMUJFWSA-N -1 1 340.408 3.555 20 0 EHADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001594448710 999645045 /nfs/dbraw/zinc/64/50/45/999645045.db2.gz VZPWWSOPIHHBRQ-BBATYDOGSA-N -1 1 349.390 3.566 20 0 EHADMM O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1cncc([O-])c1 ZINC000782879851 1016452038 /nfs/dbraw/zinc/45/20/38/1016452038.db2.gz PTVKNAFTZPJSHO-UHFFFAOYSA-N -1 1 343.402 3.949 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cc(F)ccc1Br ZINC000605440331 1034734778 /nfs/dbraw/zinc/73/47/78/1034734778.db2.gz OKRVJIOCZCTFQP-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM CCC[C@@H]1CCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000185402273 1042632889 /nfs/dbraw/zinc/63/28/89/1042632889.db2.gz LWGIRLAWQUIRPU-GFCCVEGCSA-N -1 1 326.234 3.950 20 0 EHADMM O=S(=O)([N-]c1ncccc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000180194649 1016891236 /nfs/dbraw/zinc/89/12/36/1016891236.db2.gz HWPIJOFNUXKQDC-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM Cc1ccc(OC2CCN(C(=O)c3ccc([O-])cc3F)CC2)cc1C ZINC000181185099 1016915683 /nfs/dbraw/zinc/91/56/83/1016915683.db2.gz NOUZHLZLCRAYRC-UHFFFAOYSA-N -1 1 343.398 3.832 20 0 EHADMM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(O)cc1F ZINC000181196860 1016916175 /nfs/dbraw/zinc/91/61/75/1016916175.db2.gz LYVVASWLIQWUME-UHFFFAOYSA-N -1 1 325.343 3.927 20 0 EHADMM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccc([O-])cc1F ZINC000181196860 1016916195 /nfs/dbraw/zinc/91/61/95/1016916195.db2.gz LYVVASWLIQWUME-UHFFFAOYSA-N -1 1 325.343 3.927 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H](Cc2ccccc2)C1 ZINC000181224693 1016917385 /nfs/dbraw/zinc/91/73/85/1016917385.db2.gz CHQAOBQSFSKXAX-LJQANCHMSA-N -1 1 347.414 3.629 20 0 EHADMM Cn1c2ccc(NC(=O)c3ccc([O-])cc3F)cc2nc1C1CC1 ZINC000181274597 1016919382 /nfs/dbraw/zinc/91/93/82/1016919382.db2.gz CRFZGPVORBVCFO-UHFFFAOYSA-N -1 1 325.343 3.548 20 0 EHADMM Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)n1 ZINC000340327064 1016951018 /nfs/dbraw/zinc/95/10/18/1016951018.db2.gz ISCFTUWPPXFWEP-UHFFFAOYSA-N -1 1 339.370 3.645 20 0 EHADMM COc1ccc(C2(NC(=O)c3ccc([O-])cc3F)CCCC2)cc1 ZINC000181935328 1017033033 /nfs/dbraw/zinc/03/30/33/1017033033.db2.gz ZZHVJIWFBKZOGS-UHFFFAOYSA-N -1 1 329.371 3.739 20 0 EHADMM CCOc1ccc(-c2nc(CN(C)[C@H]3C[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000659802638 1017039718 /nfs/dbraw/zinc/03/97/18/1017039718.db2.gz XYAFNWUDBPYCHR-OTVXOJSOSA-N -1 1 346.452 3.504 20 0 EHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000184035021 1032228397 /nfs/dbraw/zinc/22/83/97/1032228397.db2.gz XIEXIDSIECXTHD-UHFFFAOYSA-N -1 1 329.393 3.629 20 0 EHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000461106725 1032257333 /nfs/dbraw/zinc/25/73/33/1032257333.db2.gz JMPKTMSDSLXBSI-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000461110003 1032259818 /nfs/dbraw/zinc/25/98/18/1032259818.db2.gz VGTUDVLEZGMVPR-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000321145790 1032353722 /nfs/dbraw/zinc/35/37/22/1032353722.db2.gz FRFDALQQYUAULE-GFCCVEGCSA-N -1 1 331.334 3.662 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1cc2ccccc2o1 ZINC000528499342 1032359858 /nfs/dbraw/zinc/35/98/58/1032359858.db2.gz JKIHVVKLLSBSOK-GOSISDBHSA-N -1 1 342.420 3.648 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1 ZINC000537036907 1032496392 /nfs/dbraw/zinc/49/63/92/1032496392.db2.gz DGYUBZDTAFNGQG-UHFFFAOYSA-N -1 1 331.437 3.513 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCC(F)(F)CC1 ZINC000655663392 1017352035 /nfs/dbraw/zinc/35/20/35/1017352035.db2.gz FIEOMSKWRKNCKQ-QMMMGPOBSA-N -1 1 343.848 3.894 20 0 EHADMM CC1(C)Nc2ccccc2[C@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000892815332 1017501061 /nfs/dbraw/zinc/50/10/61/1017501061.db2.gz YBQBMCUKIJLPLZ-MRXNPFEDSA-N -1 1 345.830 3.790 20 0 EHADMM CCOc1cc(-c2noc(-c3cc(C)nn3CC)n2)cc(Cl)c1[O-] ZINC000683589193 1017552471 /nfs/dbraw/zinc/55/24/71/1017552471.db2.gz CFADRCHBMNJVOV-UHFFFAOYSA-N -1 1 348.790 3.686 20 0 EHADMM Nc1cc2cnn(-c3cccc(Cl)c3[O-])c2c(Br)c1 ZINC001210222084 1017598588 /nfs/dbraw/zinc/59/85/88/1017598588.db2.gz MZMJAAFBBKXWJD-UHFFFAOYSA-N -1 1 338.592 3.729 20 0 EHADMM CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)cc1OC ZINC000574147434 1032712488 /nfs/dbraw/zinc/71/24/88/1032712488.db2.gz WPMUTDWABMYKDX-UONOGXRCSA-N -1 1 345.443 3.700 20 0 EHADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000221098659 1017699789 /nfs/dbraw/zinc/69/97/89/1017699789.db2.gz AXVODSGGOZWBRY-ZWNOBZJWSA-N -1 1 326.234 3.805 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000377394521 1017746814 /nfs/dbraw/zinc/74/68/14/1017746814.db2.gz BLNKOJIJENYSEA-VIFPVBQESA-N -1 1 339.288 3.578 20 0 EHADMM CCCc1cc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000683707773 1018095498 /nfs/dbraw/zinc/09/54/98/1018095498.db2.gz ICEGWGPNTCWSJD-UHFFFAOYSA-N -1 1 348.255 3.611 20 0 EHADMM CC[C@H](C)n1ncc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1C ZINC000897552125 1032743576 /nfs/dbraw/zinc/74/35/76/1032743576.db2.gz MDBYYRAZYINNNB-NSHDSACASA-N -1 1 339.395 3.979 20 0 EHADMM CCc1nc(SCC(=O)C2CCC(F)(F)CC2)[n-]c(=O)c1C ZINC000565242896 1018263052 /nfs/dbraw/zinc/26/30/52/1018263052.db2.gz UEQDHHVGIDLTSR-UHFFFAOYSA-N -1 1 330.400 3.540 20 0 EHADMM C[S@](=O)Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000115260819 1018505731 /nfs/dbraw/zinc/50/57/31/1018505731.db2.gz XJHKCRAQJTXPEK-XMMPIXPASA-N -1 1 339.416 3.676 20 0 EHADMM Cc1c(Nc2cc(Cl)c([O-])c(Cl)c2)cnn1[C@H]1CCOC1 ZINC001210926308 1019064956 /nfs/dbraw/zinc/06/49/56/1019064956.db2.gz CSYXYAIGJUVCNC-JTQLQIEISA-N -1 1 328.199 3.909 20 0 EHADMM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000647122512 1019207263 /nfs/dbraw/zinc/20/72/63/1019207263.db2.gz JSTNNWNCTDCZFV-UHFFFAOYSA-N -1 1 337.416 3.933 20 0 EHADMM O=C(Nc1nnc(SCc2cccs2)s1)c1ccccc1[O-] ZINC000052855504 1019289800 /nfs/dbraw/zinc/28/98/00/1019289800.db2.gz UBZFNAGWMGCQHY-UHFFFAOYSA-N -1 1 349.462 3.850 20 0 EHADMM COc1cc(S(=O)(=O)[N-]c2cc(SC)ccc2C)ccc1F ZINC000471583396 1019479116 /nfs/dbraw/zinc/47/91/16/1019479116.db2.gz ZDTHLYSBUJXFKU-UHFFFAOYSA-N -1 1 341.429 3.665 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(C)c1O ZINC000055616265 1019651166 /nfs/dbraw/zinc/65/11/66/1019651166.db2.gz KPOHQDJWWYYHPL-UHFFFAOYSA-N -1 1 325.817 3.772 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[nH]nc1C1CC1 ZINC000760321810 1032854536 /nfs/dbraw/zinc/85/45/36/1032854536.db2.gz JABRDWZVKBTXOU-UHFFFAOYSA-N -1 1 346.239 3.703 20 0 EHADMM COc1ccc(C(=O)NC(C)(C)C)cc1-c1cc(F)c([O-])cc1F ZINC001211351805 1020054428 /nfs/dbraw/zinc/05/44/28/1020054428.db2.gz CZCBVKOGXVXNMX-UHFFFAOYSA-N -1 1 335.350 3.874 20 0 EHADMM Cc1ccc(-c2n[nH]c(NC(=O)Cc3c(C)oc4ccccc43)n2)o1 ZINC000345335754 1020154096 /nfs/dbraw/zinc/15/40/96/1020154096.db2.gz ZYGANLPVCFTXLL-UHFFFAOYSA-N -1 1 336.351 3.609 20 0 EHADMM O=C(Nc1cccc(COCC2CC2)c1)c1c(F)ccc([O-])c1F ZINC000280696885 1020574717 /nfs/dbraw/zinc/57/47/17/1020574717.db2.gz DWKLMLWKHVTFFB-UHFFFAOYSA-N -1 1 333.334 3.849 20 0 EHADMM O=C([O-])C[C@H](NCc1cccc(OC2CC2)c1F)c1cccs1 ZINC000656574758 1020939081 /nfs/dbraw/zinc/93/90/81/1020939081.db2.gz YFYDPNBLBXPLSR-ZDUSSCGKSA-N -1 1 335.400 3.734 20 0 EHADMM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1c([O-])cccc1F ZINC000605438142 1021125600 /nfs/dbraw/zinc/12/56/00/1021125600.db2.gz RMHJFBKTUMHJNU-VIFPVBQESA-N -1 1 343.276 3.956 20 0 EHADMM C[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccc(F)c(F)c1 ZINC000439123054 1021165363 /nfs/dbraw/zinc/16/53/63/1021165363.db2.gz YXNMJAZLMJSJKA-VIFPVBQESA-N -1 1 333.363 3.581 20 0 EHADMM C[C@@H]1CC(C)(C)CN1[C@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000573213427 1021177915 /nfs/dbraw/zinc/17/79/15/1021177915.db2.gz DHZFKYSUDNVOPE-RNCFNFMXSA-N -1 1 344.224 3.834 20 0 EHADMM CCN(Cc1c(F)cccc1F)C(=O)c1cc(Cl)ccc1[O-] ZINC000436779829 1021208450 /nfs/dbraw/zinc/20/84/50/1021208450.db2.gz XLBNKCGHDMLLBC-UHFFFAOYSA-N -1 1 325.742 3.986 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1COc2ccccc21 ZINC000436785452 1021228158 /nfs/dbraw/zinc/22/81/58/1021228158.db2.gz FHTZYMAZRMBEES-UGSOOPFHSA-N -1 1 333.387 3.840 20 0 EHADMM CCSCc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000436788115 1021229391 /nfs/dbraw/zinc/22/93/91/1021229391.db2.gz TXYRNNQNVDLCED-UHFFFAOYSA-N -1 1 344.436 3.856 20 0 EHADMM COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436791574 1021235522 /nfs/dbraw/zinc/23/55/22/1021235522.db2.gz KKDYAZYBSFJHDL-UHFFFAOYSA-N -1 1 343.379 3.563 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCOC[C@H]1CC1CCC1 ZINC000436794235 1021238130 /nfs/dbraw/zinc/23/81/30/1021238130.db2.gz UNDYFIACAMLEQS-MRXNPFEDSA-N -1 1 325.408 3.577 20 0 EHADMM O=C(Nc1nc(Sc2ccccc2)ns1)c1ccccc1[O-] ZINC000436794710 1021239354 /nfs/dbraw/zinc/23/93/54/1021239354.db2.gz WVOMUFWHQAGWHE-UHFFFAOYSA-N -1 1 329.406 3.647 20 0 EHADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000427234275 1021242790 /nfs/dbraw/zinc/24/27/90/1021242790.db2.gz KLLZIAGHDSNVFR-KRWDZBQOSA-N -1 1 344.430 3.964 20 0 EHADMM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1ccc2ccccc2c1[O-] ZINC000436816707 1021244171 /nfs/dbraw/zinc/24/41/71/1021244171.db2.gz UPWFENOSSILUFF-UHFFFAOYSA-N -1 1 348.337 3.722 20 0 EHADMM O=C(c1ncccc1[O-])N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000427239814 1021245706 /nfs/dbraw/zinc/24/57/06/1021245706.db2.gz UDGSKWFKARKRDB-GOSISDBHSA-N -1 1 330.387 3.727 20 0 EHADMM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1[O-] ZINC000436810963 1021255258 /nfs/dbraw/zinc/25/52/58/1021255258.db2.gz UARXNCCVSMMCRO-UHFFFAOYSA-N -1 1 348.406 3.629 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1C1CCOCC1 ZINC000436819535 1021271206 /nfs/dbraw/zinc/27/12/06/1021271206.db2.gz YLCOWGLDGMGOQB-SFHVURJKSA-N -1 1 325.408 3.577 20 0 EHADMM CC[C@@H]1CN(C(=O)c2ccc(OC)cc2[O-])c2cccc(Cl)c2O1 ZINC000436837743 1021271494 /nfs/dbraw/zinc/27/14/94/1021271494.db2.gz HLRXBQCDRYKHGE-LLVKDONJSA-N -1 1 347.798 3.872 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1 ZINC000096695245 1032964717 /nfs/dbraw/zinc/96/47/17/1032964717.db2.gz NVMUFYCBPYMLLF-UHFFFAOYSA-N -1 1 346.433 3.620 20 0 EHADMM C[C@@H](c1cccc(Cl)c1)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656757081 1021279430 /nfs/dbraw/zinc/27/94/30/1021279430.db2.gz LCATUCXLRHNBCU-WCQGTBRESA-N -1 1 335.753 3.986 20 0 EHADMM CC(C)C[C@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000436838566 1021282086 /nfs/dbraw/zinc/28/20/86/1021282086.db2.gz JJZGVOMEJGTPTB-HOTGVXAUSA-N -1 1 327.424 3.869 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC(C)(C)C1 ZINC000436841783 1021286661 /nfs/dbraw/zinc/28/66/61/1021286661.db2.gz ZTQKANPFKMIJSX-SNVBAGLBSA-N -1 1 326.234 3.663 20 0 EHADMM COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436870697 1021310840 /nfs/dbraw/zinc/31/08/40/1021310840.db2.gz FGKOYTLQLMKVCQ-JTQLQIEISA-N -1 1 335.787 3.554 20 0 EHADMM COc1ccc(C(=O)Nc2nc3c(ccc(F)c3F)s2)c([O-])c1 ZINC000436873220 1021313869 /nfs/dbraw/zinc/31/38/69/1021313869.db2.gz VMPNULOWHJXSKX-UHFFFAOYSA-N -1 1 336.319 3.541 20 0 EHADMM CN(C)[C@@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccc(Cl)c1 ZINC000436880874 1021331488 /nfs/dbraw/zinc/33/14/88/1021331488.db2.gz UDTDKJFSPOCCNX-OAHLLOKOSA-N -1 1 347.777 3.886 20 0 EHADMM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1cc2ccccc2cc1[O-] ZINC000436879709 1021331537 /nfs/dbraw/zinc/33/15/37/1021331537.db2.gz HJDXBUWUPGVXIM-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3cccc(Cl)c3)no2)c1 ZINC000436890485 1021343052 /nfs/dbraw/zinc/34/30/52/1021343052.db2.gz FKVDYGVRSYGLBC-UHFFFAOYSA-N -1 1 343.770 3.645 20 0 EHADMM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000436891233 1021343489 /nfs/dbraw/zinc/34/34/89/1021343489.db2.gz FIJPGMUKUGFADP-MGPLVRAMSA-N -1 1 337.778 3.691 20 0 EHADMM Cc1ccc(C)c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000436914430 1021369977 /nfs/dbraw/zinc/36/99/77/1021369977.db2.gz LPUQLUYZWSZYCX-UHFFFAOYSA-N -1 1 342.786 3.700 20 0 EHADMM Cc1ccc(C)c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c1 ZINC000436914430 1021369990 /nfs/dbraw/zinc/36/99/90/1021369990.db2.gz LPUQLUYZWSZYCX-UHFFFAOYSA-N -1 1 342.786 3.700 20 0 EHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1OC(F)F ZINC000436929777 1021392948 /nfs/dbraw/zinc/39/29/48/1021392948.db2.gz WAJHDEGNBSJZGF-VIFPVBQESA-N -1 1 325.286 3.624 20 0 EHADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)c1nc(-c2ccccc2)c[nH]1 ZINC000436951042 1021394703 /nfs/dbraw/zinc/39/47/03/1021394703.db2.gz QVPCYKXCHWGOMI-CQSZACIVSA-N -1 1 339.370 3.803 20 0 EHADMM Cn1ccnc1-c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436939410 1021401823 /nfs/dbraw/zinc/40/18/23/1021401823.db2.gz NWEHXJWRDFCFPL-UHFFFAOYSA-N -1 1 334.335 3.635 20 0 EHADMM CCN(C(=O)c1ccc(O)cc1[O-])c1cccc(Br)c1 ZINC000436948030 1021407331 /nfs/dbraw/zinc/40/73/31/1021407331.db2.gz NNDUPUAMDUYYCP-UHFFFAOYSA-N -1 1 336.185 3.527 20 0 EHADMM CCOC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000436955019 1021418762 /nfs/dbraw/zinc/41/87/62/1021418762.db2.gz CCFFSZLXIYQJLG-UHFFFAOYSA-N -1 1 344.754 3.939 20 0 EHADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(Br)cc1[O-] ZINC000436976158 1021429223 /nfs/dbraw/zinc/42/92/23/1021429223.db2.gz BDFYCQWHONGDLQ-QMMMGPOBSA-N -1 1 340.139 3.616 20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000032599879 1021435465 /nfs/dbraw/zinc/43/54/65/1021435465.db2.gz FVAHIAHQQDOBQM-UHFFFAOYSA-N -1 1 331.437 3.765 20 0 EHADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436999928 1021471512 /nfs/dbraw/zinc/47/15/12/1021471512.db2.gz MJSDGYUAVCIZNE-UHFFFAOYSA-N -1 1 335.232 3.632 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)c1 ZINC000437317244 1021726199 /nfs/dbraw/zinc/72/61/99/1021726199.db2.gz HBNDFKWOBYIEPE-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM Cc1cc(O)c(C(C)C)cc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000426625604 1022075434 /nfs/dbraw/zinc/07/54/34/1022075434.db2.gz MOHWVPVCYMASOD-UHFFFAOYSA-N -1 1 331.441 3.529 20 0 EHADMM Cc1ccc(C=C([O-])Nc2nc(-c3ccccc3Cl)ns2)cc1 ZINC000520319701 1022138096 /nfs/dbraw/zinc/13/80/96/1022138096.db2.gz XKLZZCHMPHABFU-UHFFFAOYSA-N -1 1 343.839 3.770 20 0 EHADMM CCc1nc(CNCc2cccc(OCC(C)C)c2)ccc1C(=O)[O-] ZINC000426651540 1022149169 /nfs/dbraw/zinc/14/91/69/1022149169.db2.gz MRHDYCPLJDOYLV-UHFFFAOYSA-N -1 1 342.439 3.667 20 0 EHADMM COc1cc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc(Cl)c1[O-] ZINC000574307140 1033035700 /nfs/dbraw/zinc/03/57/00/1033035700.db2.gz QZOKPZIJSVBLHQ-GFCCVEGCSA-N -1 1 347.798 3.810 20 0 EHADMM O=c1[n-]c(-c2nnc(-c3ccccc3)s2)nc2ccc(Cl)cc12 ZINC000187767810 1022236048 /nfs/dbraw/zinc/23/60/48/1022236048.db2.gz 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CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531486402 1026979914 /nfs/dbraw/zinc/97/99/14/1026979914.db2.gz HFVHNOOMQXCWNQ-UKRRQHHQSA-N -1 1 339.482 3.775 20 0 EHADMM Cc1nc(-c2ccc(N3CC[C@]4(CC[C@H](C)C4)C3)nc2)[n-]c(=O)c1C ZINC000302036859 1027030534 /nfs/dbraw/zinc/03/05/34/1027030534.db2.gz FVHKFJMGAMYNLV-RBZFPXEDSA-N -1 1 338.455 3.878 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3ccccn3)n2)s1 ZINC000149920235 1027167513 /nfs/dbraw/zinc/16/75/13/1027167513.db2.gz LIHSZDLXPHTWAQ-UHFFFAOYSA-N -1 1 345.453 3.606 20 0 EHADMM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000614739450 1027322861 /nfs/dbraw/zinc/32/28/61/1027322861.db2.gz VKXLKPQAWAJFFC-UHFFFAOYSA-N -1 1 347.480 3.977 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c(C)n1 ZINC000414452633 1027491896 /nfs/dbraw/zinc/49/18/96/1027491896.db2.gz BAYJFARWVCNFHT-UHFFFAOYSA-N -1 1 348.468 3.842 20 0 EHADMM Cc1cccc([C@H](C)CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000078303035 1027631791 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CCN(Cc1cccc(Cl)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000052906511 1028140144 /nfs/dbraw/zinc/14/01/44/1028140144.db2.gz RVOVPUODKBGTSZ-UHFFFAOYSA-N -1 1 333.844 3.660 20 0 EHADMM CC[C@H](CS(=O)(=O)[N-]c1ccccc1SC1CCCC1)OC ZINC000421152278 1028155950 /nfs/dbraw/zinc/15/59/50/1028155950.db2.gz JTGHBTIMJFIBTJ-CYBMUJFWSA-N -1 1 343.514 3.888 20 0 EHADMM CC(=O)[C@@H](C)CCCCC(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444812918 1028317466 /nfs/dbraw/zinc/31/74/66/1028317466.db2.gz MVIPNQWXVFTGIT-ZDUSSCGKSA-N -1 1 345.418 3.670 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(OCC)c2)cc1 ZINC000614863645 1028360419 /nfs/dbraw/zinc/36/04/19/1028360419.db2.gz OYLUBRFOGPQARR-UHFFFAOYSA-N -1 1 335.425 3.675 20 0 EHADMM CCOc1cc(-c2noc(-c3ccc(C)nc3)n2)cc(Cl)c1[O-] ZINC000445400730 1028762405 /nfs/dbraw/zinc/76/24/05/1028762405.db2.gz HVIPLVBRNJRYPV-UHFFFAOYSA-N -1 1 331.759 3.865 20 0 EHADMM CCOc1cc(-c2noc(-c3ccccc3O)n2)cc(Cl)c1[O-] ZINC000445422575 1028768237 /nfs/dbraw/zinc/76/82/37/1028768237.db2.gz 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329.400 3.832 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C)c1 ZINC000614885388 1029063595 /nfs/dbraw/zinc/06/35/95/1029063595.db2.gz ZPQBJHPYNYLCIV-UHFFFAOYSA-N -1 1 341.379 3.863 20 0 EHADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc4ncccc4c3)ccc2[nH]1 ZINC000356752022 1029074959 /nfs/dbraw/zinc/07/49/59/1029074959.db2.gz OBYYJCLAECPFMM-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000271845335 1029198464 /nfs/dbraw/zinc/19/84/64/1029198464.db2.gz ILBAYYBWSZQYOW-SECBINFHSA-N -1 1 341.251 3.826 20 0 EHADMM CSC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000524566550 1029305806 /nfs/dbraw/zinc/30/58/06/1029305806.db2.gz XHCSZRWJZPPDQG-LURJTMIESA-N -1 1 348.704 3.677 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c([O-])c1 ZINC000321201937 1029522366 /nfs/dbraw/zinc/52/23/66/1029522366.db2.gz XSSYKEPNQUKUPU-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1c1cccnc1 ZINC000343168709 1029600369 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Cc1ccc(F)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000481876953 1030067392 /nfs/dbraw/zinc/06/73/92/1030067392.db2.gz VKDZQZKHBRGXFO-UHFFFAOYSA-N -1 1 341.791 3.523 20 0 EHADMM C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278316686 1030144849 /nfs/dbraw/zinc/14/48/49/1030144849.db2.gz YOJPYTWRKJJNJQ-MRVPVSSYSA-N -1 1 339.779 3.681 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)c(C)c1C ZINC000532291043 1030523886 /nfs/dbraw/zinc/52/38/86/1030523886.db2.gz GJHPKDZCNQBKRI-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM CCOc1cc(C(=O)Nc2nn(CC)cc2Cl)cc(Cl)c1[O-] ZINC000924784206 1031024304 /nfs/dbraw/zinc/02/43/04/1031024304.db2.gz CARIIIZJOWPAGU-UHFFFAOYSA-N -1 1 344.198 3.566 20 0 EHADMM O=C(c1ncccc1[O-])N1CCC[C@H]1c1ccc(Br)cc1 ZINC000123275030 1031052358 /nfs/dbraw/zinc/05/23/58/1031052358.db2.gz DDVQEYTZIYKIAF-ZDUSSCGKSA-N -1 1 347.212 3.527 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000476908894 1031065307 /nfs/dbraw/zinc/06/53/07/1031065307.db2.gz NPNHNKNROCSVCG-UHFFFAOYSA-N -1 1 341.436 3.830 20 0 EHADMM O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000151233306 1031229625 /nfs/dbraw/zinc/22/96/25/1031229625.db2.gz ZFPXYOFCZKSWON-HNNXBMFYSA-N -1 1 349.386 3.965 20 0 EHADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1C ZINC000192712043 1031336836 /nfs/dbraw/zinc/33/68/36/1031336836.db2.gz KELHPKBHLCXMLQ-UHFFFAOYSA-N -1 1 346.408 3.562 20 0 EHADMM O=S(=O)([N-]C1CCC(C(F)F)CC1)c1cc2ccccc2o1 ZINC000668266102 1031341971 /nfs/dbraw/zinc/34/19/71/1031341971.db2.gz AZXDHDGDEFTVQX-UHFFFAOYSA-N -1 1 329.368 3.535 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cscc2Cl)c1 ZINC000903998106 1031582079 /nfs/dbraw/zinc/58/20/79/1031582079.db2.gz DOPYIQNWUKEBFP-CQSZACIVSA-N -1 1 325.817 3.716 20 0 EHADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cn(C3CC3)cn2)cc1 ZINC000904001824 1031586794 /nfs/dbraw/zinc/58/67/94/1031586794.db2.gz HLJCXEOEDYQRBR-GOSISDBHSA-N -1 1 327.428 3.647 20 0 EHADMM CCOC(=O)C1=C(NC(=O)[C@H](C)SC)[N-]c2ccccc2N=C1C ZINC000042819807 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/nfs/dbraw/zinc/63/75/51/1041637551.db2.gz YIFKKHODZHNFJG-UHFFFAOYSA-N -1 1 335.285 3.619 20 0 EHADMM Cc1oc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1C(=O)[O-] ZINC000652513154 1042515996 /nfs/dbraw/zinc/51/59/96/1042515996.db2.gz XEIIVABWZBRYGT-FHWLQOOXSA-N -1 1 341.407 3.781 20 0 EHADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4c(C)cccc4O)C3)[nH]c2c1 ZINC000626237214 1042552191 /nfs/dbraw/zinc/55/21/91/1042552191.db2.gz IUEPQBKGWBEVJM-OAHLLOKOSA-N -1 1 349.434 3.905 20 0 EHADMM Cc1cnc([C@H](C)CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000184769127 1042618633 /nfs/dbraw/zinc/61/86/33/1042618633.db2.gz CGVWZAMASLPPDU-LLVKDONJSA-N -1 1 326.421 3.844 20 0 EHADMM Cc1cccc(-c2nnc(SCC(=O)c3ccc([O-])cc3)o2)c1 ZINC000007776010 1042913999 /nfs/dbraw/zinc/91/39/99/1042913999.db2.gz YNQMSHMZKOMUJR-UHFFFAOYSA-N -1 1 326.377 3.726 20 0 EHADMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(C)o1 ZINC000344384967 1043927852 /nfs/dbraw/zinc/92/78/52/1043927852.db2.gz QXDMIDFXLYDWDP-QMMMGPOBSA-N -1 1 349.786 3.868 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1Cl ZINC000432643629 1044571987 /nfs/dbraw/zinc/57/19/87/1044571987.db2.gz QAPKFRSPPINOED-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM O=C1[N-]C(=S)S/C1=C/c1ccc(Cl)c(Br)c1 ZINC000183386666 1125550517 /nfs/dbraw/zinc/55/05/17/1125550517.db2.gz VPOOIJQFZFMWHB-XBXARRHUSA-N -1 1 334.647 3.591 20 0 EHADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1 ZINC000671065730 1125586274 /nfs/dbraw/zinc/58/62/74/1125586274.db2.gz WONMAIDWJULVLP-UHFFFAOYSA-N -1 1 344.480 3.730 20 0 EHADMM COc1cc(C(=O)N(C)C[C@@H]2CCc3ccccc32)cc(Cl)c1[O-] ZINC000620682974 1125641824 /nfs/dbraw/zinc/64/18/24/1125641824.db2.gz LLYTXDUBBCOGHU-ZDUSSCGKSA-N -1 1 345.826 3.856 20 0 EHADMM Cc1cccc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000622556853 1126723124 /nfs/dbraw/zinc/72/31/24/1126723124.db2.gz RAQOLIYGPWRHPI-UHFFFAOYSA-N -1 1 335.325 3.918 20 0 EHADMM CCN(CCOc1ccccc1C)C(=O)c1c(F)ccc([O-])c1F ZINC000622726815 1126756685 /nfs/dbraw/zinc/75/66/85/1126756685.db2.gz QLLLXABGLLHWIJ-UHFFFAOYSA-N -1 1 335.350 3.520 20 0 EHADMM CO[C@H](C)c1nc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000350825445 1127106511 /nfs/dbraw/zinc/10/65/11/1127106511.db2.gz UJDTUBTZPDPVQC-MRVPVSSYSA-N -1 1 335.360 3.721 20 0 EHADMM CO[C@@H](C)c1nc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000350825446 1127106573 /nfs/dbraw/zinc/10/65/73/1127106573.db2.gz UJDTUBTZPDPVQC-QMMMGPOBSA-N -1 1 335.360 3.721 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1O ZINC000780402959 1127235351 /nfs/dbraw/zinc/23/53/51/1127235351.db2.gz YNLCALMVEVFLIO-UHFFFAOYSA-N -1 1 327.352 3.747 20 0 EHADMM Cc1cc(C)c(CN(C)Cc2nc(=O)c3sccc3[n-]2)c(C)c1 ZINC000194970104 1127470744 /nfs/dbraw/zinc/47/07/44/1127470744.db2.gz HVLUXQXELCVSND-UHFFFAOYSA-N -1 1 327.453 3.542 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(Cc2ccccc2)CC1 ZINC000017357922 1127667949 /nfs/dbraw/zinc/66/79/49/1127667949.db2.gz FWNNTDACSICIMN-UHFFFAOYSA-N -1 1 346.430 3.503 20 0 EHADMM Cc1ccsc1CN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000338644497 1127973300 /nfs/dbraw/zinc/97/33/00/1127973300.db2.gz VGUOLOCKNFBBDJ-UHFFFAOYSA-N -1 1 340.452 3.867 20 0 EHADMM CCc1nc(CN(C)C(=O)c2cc3ccccc3cc2[O-])cs1 ZINC000067768508 1128249691 /nfs/dbraw/zinc/24/96/91/1128249691.db2.gz JUGLMYCTNYNXOU-UHFFFAOYSA-N -1 1 326.421 3.837 20 0 EHADMM CCNc1nc(SCC(=O)c2ccc([O-])cc2)nc2ccccc21 ZINC000031766669 1128229636 /nfs/dbraw/zinc/22/96/36/1128229636.db2.gz QZEHQIMVRVQCKV-UHFFFAOYSA-N -1 1 339.420 3.742 20 0 EHADMM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(Cl)ccc1[O-] ZINC000064444822 1128461667 /nfs/dbraw/zinc/46/16/67/1128461667.db2.gz VUNWWVJDKXJIQZ-UHFFFAOYSA-N -1 1 343.814 3.627 20 0 EHADMM Cc1cccnc1/C=C\C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116902176 1128785401 /nfs/dbraw/zinc/78/54/01/1128785401.db2.gz IATAGBAZDUCDNS-SREVYHEPSA-N -1 1 333.185 3.510 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1cnn(-c2cccc(Cl)c2)c1 ZINC001648846589 1120053566 /nfs/dbraw/zinc/05/35/66/1120053566.db2.gz CVMBHGMJTLDWQM-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-]CC(C2CCC2)C2CCC2)c(F)c1 ZINC001670582400 1120088065 /nfs/dbraw/zinc/08/80/65/1120088065.db2.gz CLNUZFLUJWTFDQ-UHFFFAOYSA-N -1 1 343.439 3.768 20 0 EHADMM O=C(NC[C@@H]1C[C@H]1C1CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001648917714 1120178578 /nfs/dbraw/zinc/17/85/78/1120178578.db2.gz KHGTYNWODOTINF-STQMWFEESA-N -1 1 327.346 3.967 20 0 EHADMM O=C(Nc1cccc2cc(Br)cnc21)c1ccccc1[O-] ZINC000227864338 1120189051 /nfs/dbraw/zinc/18/90/51/1120189051.db2.gz QNLZECXWUOVCPH-UHFFFAOYSA-N -1 1 343.180 3.955 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1OC(C)C ZINC000184976220 1120394524 /nfs/dbraw/zinc/39/45/24/1120394524.db2.gz DAZJMITVUFIOEY-UHFFFAOYSA-N -1 1 335.425 3.592 20 0 EHADMM CCOc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000186805601 1120475733 /nfs/dbraw/zinc/47/57/33/1120475733.db2.gz LINJWJRLMAJLOO-GJZGRUSLSA-N -1 1 345.826 3.978 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000187054990 1120484921 /nfs/dbraw/zinc/48/49/21/1120484921.db2.gz CDEQSRGQGUTUIE-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1cnc(C(=O)N(CCc2ccccc2F)C2CCCC2)c([O-])c1 ZINC000494833877 1120878533 /nfs/dbraw/zinc/87/85/33/1120878533.db2.gz NQDFLKLFYYFNDX-UHFFFAOYSA-N -1 1 342.414 3.862 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1OC1CCCC1 ZINC000032098520 1120908521 /nfs/dbraw/zinc/90/85/21/1120908521.db2.gz CZEQJFIVDYBPNA-UHFFFAOYSA-N -1 1 347.436 3.817 20 0 EHADMM CCN(C(=O)c1csc(=NC2CC2)[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000495032760 1120935102 /nfs/dbraw/zinc/93/51/02/1120935102.db2.gz VXTINFMMJHMFND-NSHDSACASA-N -1 1 333.432 3.502 20 0 EHADMM CCN(C(=O)c1csc(=NC2CC2)[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000495032760 1120935104 /nfs/dbraw/zinc/93/51/04/1120935104.db2.gz VXTINFMMJHMFND-NSHDSACASA-N -1 1 333.432 3.502 20 0 EHADMM [O-]c1ccc(-c2nc(Cc3ccccc3Br)no2)c(F)c1 ZINC000230228814 1120999035 /nfs/dbraw/zinc/99/90/35/1120999035.db2.gz XZFRVGNDXVCXTM-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000231328895 1121028330 /nfs/dbraw/zinc/02/83/30/1121028330.db2.gz GDIIOKYBBOKIEZ-PWSUYJOCSA-N -1 1 326.234 3.711 20 0 EHADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000231328888 1121028891 /nfs/dbraw/zinc/02/88/91/1121028891.db2.gz GDIIOKYBBOKIEZ-ZYHUDNBSSA-N -1 1 326.234 3.711 20 0 EHADMM CC[C@H](C)CN(CC)C(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000176617905 1121359842 /nfs/dbraw/zinc/35/98/42/1121359842.db2.gz VHMIWMDLEJXBCG-NSHDSACASA-N -1 1 338.502 3.564 20 0 EHADMM COc1cc(NC(=O)c2cc(Br)ccc2[O-])ccc1F ZINC000234937732 1121369634 /nfs/dbraw/zinc/36/96/34/1121369634.db2.gz PZUJJHUMGSYUSZ-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1Cl ZINC000074842303 1121712600 /nfs/dbraw/zinc/71/26/00/1121712600.db2.gz KSXBVDZOYCSANR-UHFFFAOYSA-N -1 1 336.800 3.631 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1Cl ZINC000074842520 1121712797 /nfs/dbraw/zinc/71/27/97/1121712797.db2.gz SGMXBIFXPRGJBB-UHFFFAOYSA-N -1 1 336.800 3.631 20 0 EHADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000311374277 1129004420 /nfs/dbraw/zinc/00/44/20/1129004420.db2.gz SQNLONFEEXJLCG-GHMZBOCLSA-N -1 1 326.234 3.805 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000055595322 1121842682 /nfs/dbraw/zinc/84/26/82/1121842682.db2.gz SZKLEQOZEKCFFN-UHFFFAOYSA-N -1 1 345.342 3.653 20 0 EHADMM C[C@@H](CSc1nccc(C(F)(F)F)n1)C(=O)c1ccc([O-])cc1 ZINC000916563349 1122194907 /nfs/dbraw/zinc/19/49/07/1122194907.db2.gz UHZCNOWDUPWXAW-VIFPVBQESA-N -1 1 342.342 3.812 20 0 EHADMM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2Br)C1 ZINC000126815861 1122441309 /nfs/dbraw/zinc/44/13/09/1122441309.db2.gz LFDYIPKVNPUIRP-AWEZNQCLSA-N -1 1 346.652 3.789 20 0 EHADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1(C)C ZINC000670417679 1122706940 /nfs/dbraw/zinc/70/69/40/1122706940.db2.gz FLUQOYOFCPBCCB-KGLIPLIRSA-N -1 1 345.361 3.687 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000918385873 1122799773 /nfs/dbraw/zinc/79/97/73/1122799773.db2.gz DHGPOOLJPRIVHD-UHFFFAOYSA-N -1 1 340.379 3.725 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2sccc2F)c1 ZINC000498222858 1122801720 /nfs/dbraw/zinc/80/17/20/1122801720.db2.gz ZBIWIZDJESEOIK-UHFFFAOYSA-N -1 1 330.178 3.916 20 0 EHADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000498215085 1122802172 /nfs/dbraw/zinc/80/21/72/1122802172.db2.gz AXHYBXNHVFRZBY-MFKMUULPSA-N -1 1 342.233 3.607 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](c2ccccc2)O1 ZINC000130979352 1123028460 /nfs/dbraw/zinc/02/84/60/1123028460.db2.gz ALTMIXUYIHECCC-YVEFUNNKSA-N -1 1 331.799 3.648 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](c2ccccc2)O1 ZINC000130979515 1123028551 /nfs/dbraw/zinc/02/85/51/1123028551.db2.gz ALTMIXUYIHECCC-PXAZEXFGSA-N -1 1 331.799 3.648 20 0 EHADMM COc1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1F ZINC000073689302 1123216516 /nfs/dbraw/zinc/21/65/16/1123216516.db2.gz VPWPMWYJKSDMPN-UHFFFAOYSA-N -1 1 334.294 3.641 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1C ZINC000499231160 1123284416 /nfs/dbraw/zinc/28/44/16/1123284416.db2.gz GWHAYTQGWOWQSJ-UHFFFAOYSA-N -1 1 348.449 3.723 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)ccc1F ZINC000132724110 1123292670 /nfs/dbraw/zinc/29/26/70/1123292670.db2.gz NYRHOXQIVOPIDY-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CCCC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000080004624 1123734401 /nfs/dbraw/zinc/73/44/01/1123734401.db2.gz VMHIQSTTXIBYOK-UHFFFAOYSA-N -1 1 330.359 3.831 20 0 EHADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000068038492 1123811616 /nfs/dbraw/zinc/81/16/16/1123811616.db2.gz JYKZOBNAJYUKJI-UHFFFAOYSA-N -1 1 344.358 3.572 20 0 EHADMM Cc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000010464580 1123854037 /nfs/dbraw/zinc/85/40/37/1123854037.db2.gz DJCSENRTKYMHGW-UHFFFAOYSA-N -1 1 338.407 3.827 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000615994861 1123924907 /nfs/dbraw/zinc/92/49/07/1123924907.db2.gz VAOMVGJPDYICLR-SFHVURJKSA-N -1 1 334.375 3.901 20 0 EHADMM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000616101071 1123943158 /nfs/dbraw/zinc/94/31/58/1123943158.db2.gz MBZAHGMCVYMAQT-AAEUAGOBSA-N -1 1 333.334 3.811 20 0 EHADMM C[C@@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)CC(C)(C)O1 ZINC000069378358 1124731754 /nfs/dbraw/zinc/73/17/54/1124731754.db2.gz VWLMVMVLPFXIFY-CYBMUJFWSA-N -1 1 338.521 3.520 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H](CCF)C1 ZINC000618698562 1125169688 /nfs/dbraw/zinc/16/96/88/1125169688.db2.gz VVZKFXRETLFABK-LLVKDONJSA-N -1 1 336.794 3.806 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc3c(c2)CCOC3)cc(Cl)c1[O-] ZINC000618837137 1125214886 /nfs/dbraw/zinc/21/48/86/1125214886.db2.gz MIXNHKGFKPHVNF-UHFFFAOYSA-N -1 1 347.798 3.769 20 0 EHADMM C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619923285 1125428789 /nfs/dbraw/zinc/42/87/89/1125428789.db2.gz MXROPRINYAFQKA-LLVKDONJSA-N -1 1 343.345 3.585 20 0 EHADMM CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000153152065 1125445210 /nfs/dbraw/zinc/44/52/10/1125445210.db2.gz QZROWBOGNXGMNC-GFCCVEGCSA-N -1 1 334.416 3.611 20 0 EHADMM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000673150864 1129212953 /nfs/dbraw/zinc/21/29/53/1129212953.db2.gz FOZFBQQTQXSQKO-APPDUMDISA-N -1 1 349.789 3.787 20 0 EHADMM CCn1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000682950370 1129253898 /nfs/dbraw/zinc/25/38/98/1129253898.db2.gz GRBRKLCAEZHTOQ-UHFFFAOYSA-N -1 1 326.318 3.505 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(C)c1C ZINC000117229333 1129425517 /nfs/dbraw/zinc/42/55/17/1129425517.db2.gz LMYRXOMOFMSGRF-UHFFFAOYSA-N -1 1 330.409 3.594 20 0 EHADMM O=S(=O)(CCC1CC1)[N-]c1ccc(Cl)cc1OCC(F)F ZINC000673490563 1129460668 /nfs/dbraw/zinc/46/06/68/1129460668.db2.gz CQEMFADGLVJULG-UHFFFAOYSA-N -1 1 339.791 3.526 20 0 EHADMM Cn1cc([C@H]2N(C(=O)c3cc4ccccc4cc3[O-])CC2(C)C)cn1 ZINC000673535650 1129489360 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C[C@H](CCC(=O)NCCc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001178784869 1133197935 /nfs/dbraw/zinc/19/79/35/1133197935.db2.gz KHJDGEGNZLSLFW-CYBMUJFWSA-N -1 1 333.378 3.913 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccc(C(F)F)cc1 ZINC001178785159 1133198950 /nfs/dbraw/zinc/19/89/50/1133198950.db2.gz OHHGUGXSYNJVDA-UHFFFAOYSA-N -1 1 327.277 3.581 20 0 EHADMM Cc1cc([C@@H]2CCCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)n[nH]1 ZINC001179151609 1133231989 /nfs/dbraw/zinc/23/19/89/1133231989.db2.gz DIYGYLDZSACOCS-AWEZNQCLSA-N -1 1 342.424 3.515 20 0 EHADMM O=C(C=Cc1cc(F)cc(F)c1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001179565107 1133259114 /nfs/dbraw/zinc/25/91/14/1133259114.db2.gz XCSYYGYSULVXHY-VOTSOKGWSA-N -1 1 341.317 3.508 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000769597647 1133318500 /nfs/dbraw/zinc/31/85/00/1133318500.db2.gz LGIZSIRLTUKPPE-GOSISDBHSA-N -1 1 341.382 3.524 20 0 EHADMM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1c([O-])cccc1Cl ZINC000769950925 1133364797 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1134367901 /nfs/dbraw/zinc/36/79/01/1134367901.db2.gz YJKBJWKYZMGEFY-NEPJUHHUSA-N -1 1 341.835 3.950 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H](C)c1ccccc1 ZINC001187650858 1134368349 /nfs/dbraw/zinc/36/83/49/1134368349.db2.gz RYXJZPCLFLWRJT-WDEREUQCSA-N -1 1 329.874 3.872 20 0 EHADMM O=C([N-][C@H](C1CCCCC1)C(F)(F)F)C(F)(F)C1CCOCC1 ZINC000790759756 1134458348 /nfs/dbraw/zinc/45/83/48/1134458348.db2.gz TZVDJWQRIALLLK-GFCCVEGCSA-N -1 1 343.336 3.676 20 0 EHADMM CC(=O)Oc1ccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001188588991 1134485429 /nfs/dbraw/zinc/48/54/29/1134485429.db2.gz KMEWAXLPAGVXQR-UHFFFAOYSA-N -1 1 339.269 3.589 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)Cc3ccc(F)c(F)c3)ccc2c1 ZINC001189273367 1134566512 /nfs/dbraw/zinc/56/65/12/1134566512.db2.gz WOINFCZXTQLMQA-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM CCCc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)s1 ZINC001189506183 1134592811 /nfs/dbraw/zinc/59/28/11/1134592811.db2.gz YFOHEIVQCDVSBP-UHFFFAOYSA-N -1 1 327.409 3.844 20 0 EHADMM O=S(=O)(CCCF)[N-]c1ccccc1Oc1ccc(F)cc1 ZINC001189863557 1134632991 /nfs/dbraw/zinc/63/29/91/1134632991.db2.gz JXYWJCPKQBIQHY-UHFFFAOYSA-N -1 1 327.352 3.719 20 0 EHADMM Cc1nc(SCCCN(C)c2ccccc2)[n-]c(=O)c1C1CC1 ZINC001189892193 1134636772 /nfs/dbraw/zinc/63/67/72/1134636772.db2.gz LRFUAPIGJYHYMF-UHFFFAOYSA-N -1 1 329.469 3.987 20 0 EHADMM [O-]c1c(Br)c(F)ccc1Nc1ccc2cncnc2c1 ZINC001203711828 1134642625 /nfs/dbraw/zinc/64/26/25/1134642625.db2.gz VVSDTCGHMTUQMP-UHFFFAOYSA-N -1 1 334.148 3.981 20 0 EHADMM COc1ccc(C(=O)[N-]C(=O)CSc2cc(C)ccc2Cl)cc1 ZINC001190064451 1134648963 /nfs/dbraw/zinc/64/89/63/1134648963.db2.gz USSGOJMLTGWVPS-UHFFFAOYSA-N -1 1 349.839 3.706 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2ccc3c4c(cccc42)CC3)c(OC)c1 ZINC001190137543 1134659439 /nfs/dbraw/zinc/65/94/39/1134659439.db2.gz MMWZATMSXKBCGA-UHFFFAOYSA-N -1 1 349.386 3.914 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc(Cl)cn1 ZINC000792449396 1134687670 /nfs/dbraw/zinc/68/76/70/1134687670.db2.gz XECMHUNBRFEGJV-VIFPVBQESA-N -1 1 328.721 3.843 20 0 EHADMM O=C(Nc1cc(Br)ccc1Cl)Nc1ncccc1[O-] ZINC001190851451 1134759096 /nfs/dbraw/zinc/75/90/96/1134759096.db2.gz BWPJSLSJJIIVNE-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM COc1cc(C(=O)N[C@H](c2cccnc2)C(C)C)cc(Cl)c1[O-] ZINC001191158270 1134803812 /nfs/dbraw/zinc/80/38/12/1134803812.db2.gz OMCQGWYMZXBBGH-HNNXBMFYSA-N -1 1 334.803 3.576 20 0 EHADMM COc1cc(C(=O)NCC2(C)CCC(F)(F)CC2)cc(Cl)c1[O-] ZINC001191158180 1134804393 /nfs/dbraw/zinc/80/43/93/1134804393.db2.gz MKIVZUWJUIHHIP-UHFFFAOYSA-N -1 1 347.789 4.000 20 0 EHADMM COc1cc(C(=O)NCc2cncc3ccccc32)cc(Cl)c1[O-] ZINC001191158508 1134804661 /nfs/dbraw/zinc/80/46/61/1134804661.db2.gz UHXKEYVNUXUCAI-UHFFFAOYSA-N -1 1 342.782 3.532 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2ncc(C(F)(F)F)cn2)c([O-])c1 ZINC001192314247 1134998528 /nfs/dbraw/zinc/99/85/28/1134998528.db2.gz MFWZPLKQBDILCK-UHFFFAOYSA-N -1 1 339.317 3.751 20 0 EHADMM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192669966 1135043590 /nfs/dbraw/zinc/04/35/90/1135043590.db2.gz ARFQADYEQKCZRB-UHFFFAOYSA-N -1 1 349.333 3.878 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](c1ccccc1)C(C)C ZINC000747206370 1135163547 /nfs/dbraw/zinc/16/35/47/1135163547.db2.gz DTDRYSICLJMZQZ-INIZCTEOSA-N -1 1 341.455 3.784 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1cccc(-c2cccc(F)c2)c1 ZINC001193929422 1135201692 /nfs/dbraw/zinc/20/16/92/1135201692.db2.gz RMXGEMWIPLNTFH-UHFFFAOYSA-N -1 1 342.395 3.876 20 0 EHADMM CC(=O)c1oc2cc(C)ccc2c1CC(=O)[N-]OCc1ccccc1 ZINC000805157860 1135239565 /nfs/dbraw/zinc/23/95/65/1135239565.db2.gz VTCGLTMMQYNUBA-UHFFFAOYSA-N -1 1 337.375 3.734 20 0 EHADMM CCCC[C@H](CC)C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194587264 1135288739 /nfs/dbraw/zinc/28/87/39/1135288739.db2.gz ZDPNKDPDICJKNI-NSHDSACASA-N -1 1 338.395 3.595 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC001194634266 1135294699 /nfs/dbraw/zinc/29/46/99/1135294699.db2.gz PFEWLAPMADNNJD-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)Nc1cc([O-])c(Cl)cc1F ZINC001194633946 1135294867 /nfs/dbraw/zinc/29/48/67/1135294867.db2.gz HIAIDPRRSSNLGM-UHFFFAOYSA-N -1 1 329.780 3.602 20 0 EHADMM Nc1ccccc1N(C(=O)c1cnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC001194781994 1135314072 /nfs/dbraw/zinc/31/40/72/1135314072.db2.gz JOECUECUTPACFI-UHFFFAOYSA-N -1 1 346.312 3.989 20 0 EHADMM Nc1ccccc1N(C(=O)c1c[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC001194781994 1135314077 /nfs/dbraw/zinc/31/40/77/1135314077.db2.gz JOECUECUTPACFI-UHFFFAOYSA-N -1 1 346.312 3.989 20 0 EHADMM CCc1cc2c(COC(=O)C(C)(C)C3CC3)cc(=O)oc2cc1[O-] ZINC000805702722 1135315852 /nfs/dbraw/zinc/31/58/52/1135315852.db2.gz ASWJFHBUTMUHHR-UHFFFAOYSA-N -1 1 330.380 3.540 20 0 EHADMM O=C(Nc1cncc(-c2ccccc2)c1)c1c[n-]c(C(F)(F)F)n1 ZINC001194773518 1135322000 /nfs/dbraw/zinc/32/20/00/1135322000.db2.gz UOOUQUGKUZKIGH-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM O=S(=O)([N-][C@]12C[C@H]1CCC2)c1c(Cl)cc(Cl)cc1Cl ZINC001195251940 1135398839 /nfs/dbraw/zinc/39/88/39/1135398839.db2.gz IZENRKLETREMEF-JMCQJSRRSA-N -1 1 340.659 3.868 20 0 EHADMM COc1ccccc1OC(=O)Nc1ccc(Br)cc1[O-] ZINC001195262710 1135401902 /nfs/dbraw/zinc/40/19/02/1135401902.db2.gz WXYXKHSQOXPRKQ-UHFFFAOYSA-N -1 1 338.157 3.774 20 0 EHADMM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1cc([O-])cnc1Cl ZINC001195308343 1135410931 /nfs/dbraw/zinc/41/09/31/1135410931.db2.gz BXQUDTKWNOJPOR-HNNXBMFYSA-N -1 1 346.814 3.564 20 0 EHADMM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc([O-])cnc1Cl ZINC001195309729 1135411517 /nfs/dbraw/zinc/41/15/17/1135411517.db2.gz URFCOGKKQCOVED-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cc([O-])cnc1Cl ZINC001195313287 1135411692 /nfs/dbraw/zinc/41/16/92/1135411692.db2.gz WTLTVQLZEPOBMA-IXKJSCDLSA-N -1 1 342.826 3.753 20 0 EHADMM COc1ccc(CNC(=O)c2cc([O-])cnc2Cl)c2ccccc12 ZINC001195316072 1135412891 /nfs/dbraw/zinc/41/28/91/1135412891.db2.gz YMCPSCVALUALKV-UHFFFAOYSA-N -1 1 342.782 3.532 20 0 EHADMM O=C([N-]c1c(Cl)cnnc1Cl)c1nccc(Cl)c1Cl ZINC001195450774 1135425332 /nfs/dbraw/zinc/42/53/32/1135425332.db2.gz ZXAAXFLCEOWGQA-UHFFFAOYSA-N -1 1 337.981 3.738 20 0 EHADMM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC001195795615 1135470830 /nfs/dbraw/zinc/47/08/30/1135470830.db2.gz DWTLKZWQOZMMES-UHFFFAOYSA-N -1 1 331.315 3.520 20 0 EHADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747376174 1135527134 /nfs/dbraw/zinc/52/71/34/1135527134.db2.gz VRHJACOBTUTOSN-OAHLLOKOSA-N -1 1 339.439 3.552 20 0 EHADMM Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196244993 1135540084 /nfs/dbraw/zinc/54/00/84/1135540084.db2.gz JEZQUPVXLPKPDL-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM [O-]c1c(F)cc(NC(=S)NCc2ccccc2Cl)cc1F ZINC001196823988 1135619720 /nfs/dbraw/zinc/61/97/20/1135619720.db2.gz IGRWJLOBDZDZCN-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197465192 1135693516 /nfs/dbraw/zinc/69/35/16/1135693516.db2.gz RUGGWCFMFAKJOL-UHFFFAOYSA-N -1 1 334.441 3.591 20 0 EHADMM COc1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197715719 1135729276 /nfs/dbraw/zinc/72/92/76/1135729276.db2.gz FKABFULZQIJNHJ-UHFFFAOYSA-N -1 1 346.235 3.944 20 0 EHADMM C[C@@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000809338039 1135828029 /nfs/dbraw/zinc/82/80/29/1135828029.db2.gz BNAAUGXBKNZGOE-BJOHPYRUSA-N -1 1 339.288 3.695 20 0 EHADMM Cc1cc2cccc(C(=O)Nc3cc(=O)n(-c4ccccc4)[n-]3)c2[nH]1 ZINC001198558128 1135830176 /nfs/dbraw/zinc/83/01/76/1135830176.db2.gz FRKDEYGMTLGLOO-UHFFFAOYSA-N -1 1 332.363 3.620 20 0 EHADMM COc1cc(-c2noc([C@@H](F)C(C)C)n2)cc(Br)c1[O-] ZINC000809470350 1135839509 /nfs/dbraw/zinc/83/95/09/1135839509.db2.gz BSOKSCINVLYWBJ-JTQLQIEISA-N -1 1 345.168 3.880 20 0 EHADMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000776012063 1135920077 /nfs/dbraw/zinc/92/00/77/1135920077.db2.gz XNGQCQIVTPQRCL-QLJPJBMISA-N -1 1 337.778 3.691 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(N(C)C)c1C ZINC000776091522 1135952626 /nfs/dbraw/zinc/95/26/26/1135952626.db2.gz OIONDUVGFSDZIL-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM CN(C)C(=O)c1cc(F)cc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001201527650 1136038345 /nfs/dbraw/zinc/03/83/45/1136038345.db2.gz UEXWJGHZTXAEQJ-UHFFFAOYSA-N -1 1 326.730 3.769 20 0 EHADMM O=C(Nc1cccc(Cl)c1)Nc1nc(Br)ccc1[O-] ZINC001202239092 1136118658 /nfs/dbraw/zinc/11/86/58/1136118658.db2.gz XWRUSBYZMQAPHP-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM O=c1cc(CSc2ccc3c(c2)OCCO3)c2ccc([O-])cc2o1 ZINC000006916450 1136188295 /nfs/dbraw/zinc/18/82/95/1136188295.db2.gz KFXHZYZUKAGWGQ-UHFFFAOYSA-N -1 1 342.372 3.562 20 0 EHADMM CC(C)c1scnc1C(=O)Nc1cccc([O-])c1Br ZINC001158831954 1136213498 /nfs/dbraw/zinc/21/34/98/1136213498.db2.gz MWULTFNDMYKSFX-UHFFFAOYSA-N -1 1 341.230 3.987 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCn2c(cc3ccccc32)C1 ZINC000812759366 1136244824 /nfs/dbraw/zinc/24/48/24/1136244824.db2.gz YGBCSVWEYYIDPG-UHFFFAOYSA-N -1 1 326.783 3.656 20 0 EHADMM CCc1cc2c(COC(=O)c3cccc(C)c3)cc(=O)oc2cc1[O-] ZINC000007605592 1136310430 /nfs/dbraw/zinc/31/04/30/1136310430.db2.gz VBGKEXOSHFEBCQ-UHFFFAOYSA-N -1 1 338.359 3.726 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000813782119 1136361924 /nfs/dbraw/zinc/36/19/24/1136361924.db2.gz WSKHCEVQVCHVIY-TZMCWYRMSA-N -1 1 333.476 3.901 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2c(ccc3ccccc23)o1 ZINC001134127941 1136410172 /nfs/dbraw/zinc/41/01/72/1136410172.db2.gz GECZPEDBWAXNJZ-UHFFFAOYSA-N -1 1 346.268 3.975 20 0 EHADMM CC(C)([NH3+])c1cc(C(=O)Nc2ccccc2SC(F)(F)F)on1 ZINC000852808271 1136488425 /nfs/dbraw/zinc/48/84/25/1136488425.db2.gz PVQJRWDHFOVSDV-UHFFFAOYSA-N -1 1 345.346 3.733 20 0 EHADMM CCOc1cccc(-c2ccc(OC)c([N-]S(=O)(=O)CC)c2)c1 ZINC000854188428 1136596334 /nfs/dbraw/zinc/59/63/34/1136596334.db2.gz ZOOFFYQCWXYWCN-UHFFFAOYSA-N -1 1 335.425 3.523 20 0 EHADMM CSc1c(F)cccc1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000855250122 1136680475 /nfs/dbraw/zinc/68/04/75/1136680475.db2.gz UIOHGHDTCQQREV-UHFFFAOYSA-N -1 1 336.388 3.682 20 0 EHADMM O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1nc(Cl)ccc1[O-] ZINC000816427216 1136714573 /nfs/dbraw/zinc/71/45/73/1136714573.db2.gz PBCAYFMAYJRGLQ-UHFFFAOYSA-N -1 1 336.178 3.757 20 0 EHADMM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc([O-])c1Cl ZINC000816612687 1136741701 /nfs/dbraw/zinc/74/17/01/1136741701.db2.gz VXRGPGDKQJGXFX-AAEUAGOBSA-N -1 1 340.851 3.533 20 0 EHADMM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])cccc2OC)cc1 ZINC001135647629 1136742270 /nfs/dbraw/zinc/74/22/70/1136742270.db2.gz IQPMXDXKXRARGQ-UHFFFAOYSA-N -1 1 343.379 3.610 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(CC3CC3)C2)c([O-])c1 ZINC000857408587 1136868725 /nfs/dbraw/zinc/86/87/25/1136868725.db2.gz MHBWNSXAOOYKRJ-UHFFFAOYSA-N -1 1 346.427 3.611 20 0 EHADMM O=C([N-][C@H]1CCn2cncc21)C(F)(F)c1cccc(Cl)c1Cl ZINC000857976933 1136927060 /nfs/dbraw/zinc/92/70/60/1136927060.db2.gz OTNUFDYVPZBLAW-JTQLQIEISA-N -1 1 346.164 3.543 20 0 EHADMM COc1cnc(C=Cc2cccc(OCc3ccccc3)c2)[n-]c1=O ZINC000821007062 1137015537 /nfs/dbraw/zinc/01/55/37/1137015537.db2.gz AZVXAYQCNMTUGW-ZHACJKMWSA-N -1 1 334.375 3.940 20 0 EHADMM CCCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000030530136 1137037571 /nfs/dbraw/zinc/03/75/71/1137037571.db2.gz LLXHMJLTRDBZAS-UHFFFAOYSA-N -1 1 334.397 3.657 20 0 EHADMM CSc1nc(C)c(CCC(=O)OCCCCC(C)C)c(=O)[n-]1 ZINC000860894421 1137083565 /nfs/dbraw/zinc/08/35/65/1137083565.db2.gz UGRFYNRCJQKHAC-UHFFFAOYSA-N -1 1 326.462 3.515 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCc1ccc(F)cc1Cl ZINC001136704705 1137093738 /nfs/dbraw/zinc/09/37/38/1137093738.db2.gz ILHQFQIAGKQXGD-UHFFFAOYSA-N -1 1 342.197 3.740 20 0 EHADMM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1c([O-])cccc1Cl ZINC000772874122 1137111431 /nfs/dbraw/zinc/11/14/31/1137111431.db2.gz VGBWATXBGAHAJY-CXAGYDPISA-N -1 1 331.799 3.553 20 0 EHADMM CCCCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000118957128 1137145690 /nfs/dbraw/zinc/14/56/90/1137145690.db2.gz KYDCJXNWDGVFTH-ZDUSSCGKSA-N -1 1 346.452 3.569 20 0 EHADMM CCSCC[C@H](C)NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001137013448 1137171524 /nfs/dbraw/zinc/17/15/24/1137171524.db2.gz UXQFUQOLSHDHIN-LBPRGKRZSA-N -1 1 347.436 3.726 20 0 EHADMM Cc1c(Cl)c(CNC[C@@H](CC(=O)[O-])C2CCCCCC2)nn1C ZINC000864522934 1137232417 /nfs/dbraw/zinc/23/24/17/1137232417.db2.gz SQELCJOZEHNATP-CQSZACIVSA-N -1 1 341.883 3.533 20 0 EHADMM CCc1csc(CC2CCN(C(=O)c3cccc([O-])c3F)CC2)n1 ZINC001144174543 1137247267 /nfs/dbraw/zinc/24/72/67/1137247267.db2.gz JHKBBKSCCIOFQM-UHFFFAOYSA-N -1 1 348.443 3.645 20 0 EHADMM C[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001144498055 1137302279 /nfs/dbraw/zinc/30/22/79/1137302279.db2.gz WSOGEPQHOWTUIM-JTQLQIEISA-N -1 1 325.286 3.817 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)c1ccc(F)cc1F ZINC001149147253 1137320398 /nfs/dbraw/zinc/32/03/98/1137320398.db2.gz JTVBAAPOQDXDBO-VIFPVBQESA-N -1 1 346.308 3.849 20 0 EHADMM [O-]c1cc(F)c(CN2CCC[C@H](Sc3ccncc3)C2)cc1F ZINC001144667703 1137324852 /nfs/dbraw/zinc/32/48/52/1137324852.db2.gz YYDKAQHEMYLPOA-AWEZNQCLSA-N -1 1 336.407 3.822 20 0 EHADMM O=C(Cc1coc2c1ccc(Cl)c2Cl)[N-]OCC(F)(F)F ZINC000866733510 1137375752 /nfs/dbraw/zinc/37/57/52/1137375752.db2.gz SNGJOIRZITWENX-UHFFFAOYSA-N -1 1 342.100 3.892 20 0 EHADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c([O-])c2)cc1F ZINC001146432005 1137390440 /nfs/dbraw/zinc/39/04/40/1137390440.db2.gz PAINMUVEINKPPE-HNNXBMFYSA-N -1 1 333.334 3.656 20 0 EHADMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc(F)ccc2[O-])ccn1 ZINC001146906834 1137397042 /nfs/dbraw/zinc/39/70/42/1137397042.db2.gz QIXFRHODPNMKOP-CYBMUJFWSA-N -1 1 346.402 3.670 20 0 EHADMM CCc1ccccc1CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001147495216 1137407922 /nfs/dbraw/zinc/40/79/22/1137407922.db2.gz OZPMECMHPQEBDT-UHFFFAOYSA-N -1 1 349.386 3.957 20 0 EHADMM Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n(C2CCC2)n1 ZINC001148794776 1137435018 /nfs/dbraw/zinc/43/50/18/1137435018.db2.gz MVIPMQLZRIBIDM-UHFFFAOYSA-N -1 1 339.317 3.893 20 0 EHADMM CSc1nccc(NC(=O)c2cccc(-c3ccccc3)c2[O-])n1 ZINC001148861212 1137436504 /nfs/dbraw/zinc/43/65/04/1137436504.db2.gz OJKNYZKFDCWNCB-UHFFFAOYSA-N -1 1 337.404 3.823 20 0 EHADMM Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148868869 1137436838 /nfs/dbraw/zinc/43/68/38/1137436838.db2.gz DLBNOTNHPNTENG-UHFFFAOYSA-N -1 1 346.386 3.719 20 0 EHADMM O=C(NC[C@H](O)C1CCCCC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148873020 1137437052 /nfs/dbraw/zinc/43/70/52/1137437052.db2.gz QLAYMHWTWUBWLS-IBGZPJMESA-N -1 1 339.435 3.730 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000869577686 1137457875 /nfs/dbraw/zinc/45/78/75/1137457875.db2.gz BOJGUISNSUXGKE-HZPDHXFCSA-N -1 1 339.439 3.680 20 0 EHADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(F)c1[O-] ZINC001171632863 1137500051 /nfs/dbraw/zinc/50/00/51/1137500051.db2.gz UFUJZGDQPLJAOR-UHFFFAOYSA-N -1 1 330.290 3.886 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H](c1ccccn1)C1CCC1 ZINC000873081096 1137589689 /nfs/dbraw/zinc/58/96/89/1137589689.db2.gz YBKJBIICYCLMQD-QGZVFWFLSA-N -1 1 345.830 3.781 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nc(-c3ccccc3)ns2)co1 ZINC000874149966 1137611006 /nfs/dbraw/zinc/61/10/06/1137611006.db2.gz RCBOKLWTBUQBLF-UHFFFAOYSA-N -1 1 328.397 3.743 20 0 EHADMM COc1cc(C(=O)Nc2ccc3c(n2)CCCC3)cc(Cl)c1[O-] ZINC000874673531 1137621175 /nfs/dbraw/zinc/62/11/75/1137621175.db2.gz CPQJCOXACJTPBN-UHFFFAOYSA-N -1 1 332.787 3.580 20 0 EHADMM CC(C)OC1CCC(NC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000875414367 1137633158 /nfs/dbraw/zinc/63/31/58/1137633158.db2.gz XJHUVCLMGUNWAJ-UHFFFAOYSA-N -1 1 340.851 3.581 20 0 EHADMM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1c(C)onc1OC(F)F ZINC000875617233 1137635979 /nfs/dbraw/zinc/63/59/79/1137635979.db2.gz FRJUSDYAPYUPGO-UHFFFAOYSA-N -1 1 340.204 3.757 20 0 EHADMM COc1ccc([C@@H](C)N(C)C(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC000876395246 1137650779 /nfs/dbraw/zinc/65/07/79/1137650779.db2.gz YITIFLHWSQOAKW-GFCCVEGCSA-N -1 1 348.830 3.957 20 0 EHADMM Cc1noc(C2CC2)c1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000129506546 1137823604 /nfs/dbraw/zinc/82/36/04/1137823604.db2.gz ZIYCMUAJKCWVKT-UHFFFAOYSA-N -1 1 340.408 3.555 20 0 EHADMM CCSCc1cccnc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000882665568 1137831272 /nfs/dbraw/zinc/83/12/72/1137831272.db2.gz LWKIXRLASSGZOK-UHFFFAOYSA-N -1 1 336.844 3.875 20 0 EHADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000130589680 1137839787 /nfs/dbraw/zinc/83/97/87/1137839787.db2.gz VWTVOHUBZNWUDN-UHFFFAOYSA-N -1 1 345.754 3.622 20 0 EHADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccnc(Cl)c1F ZINC000133367856 1137888184 /nfs/dbraw/zinc/88/81/84/1137888184.db2.gz RHRZYFQLXPOAHC-UHFFFAOYSA-N -1 1 340.792 3.706 20 0 EHADMM Cc1cnc(C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)c([O-])c1 ZINC000332337697 1137940498 /nfs/dbraw/zinc/94/04/98/1137940498.db2.gz LEXUBKZHCBNAJE-MRXNPFEDSA-N -1 1 339.439 3.666 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2CCCc3cccnc32)cc(Cl)c1[O-] ZINC000885399367 1137999100 /nfs/dbraw/zinc/99/91/00/1137999100.db2.gz MMHWRAUETTXXFG-AWEZNQCLSA-N -1 1 346.814 3.647 20 0 EHADMM CCC(CC)n1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)n1 ZINC000885676337 1138017873 /nfs/dbraw/zinc/01/78/73/1138017873.db2.gz NIDYKOHWRVXEOH-UHFFFAOYSA-N -1 1 325.771 3.995 20 0 EHADMM CC(C)C[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)n1ccnc1 ZINC000885680263 1138018318 /nfs/dbraw/zinc/01/83/18/1138018318.db2.gz NYAMDPRCIHWPHY-ZDUSSCGKSA-N -1 1 325.771 3.607 20 0 EHADMM CC(C)c1cccc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000085551271 1138184687 /nfs/dbraw/zinc/18/46/87/1138184687.db2.gz ANZGNHFCVNAIBB-UHFFFAOYSA-N -1 1 333.461 3.967 20 0 EHADMM Cc1cccc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)c1Cl ZINC000085616829 1138184905 /nfs/dbraw/zinc/18/49/05/1138184905.db2.gz QLBHPDCALKGFRW-UHFFFAOYSA-N -1 1 339.852 3.805 20 0 EHADMM Cc1cccc([C@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)c1C ZINC000122252868 1138256328 /nfs/dbraw/zinc/25/63/28/1138256328.db2.gz DMIRTHNMGIOVCW-MRXNPFEDSA-N -1 1 339.464 3.939 20 0 EHADMM Cc1ccc(-c2cc([N-]S(=O)(=O)Cc3cc(C)cc(C)c3)n[nH]2)o1 ZINC000337121430 1138470940 /nfs/dbraw/zinc/47/09/40/1138470940.db2.gz AJKMDFJQXYVZJJ-UHFFFAOYSA-N -1 1 345.424 3.537 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1 ZINC000337742972 1138657201 /nfs/dbraw/zinc/65/72/01/1138657201.db2.gz DUFYQBZBGKGHMA-UHFFFAOYSA-N -1 1 337.466 3.746 20 0 EHADMM Cc1ncc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)s1 ZINC000338356105 1138850084 /nfs/dbraw/zinc/85/00/84/1138850084.db2.gz NVKLXEHFHOWLSS-UHFFFAOYSA-N -1 1 347.827 3.631 20 0 EHADMM CCOc1cc(C(=O)N[C@H](C)CCSCC)cc(Cl)c1[O-] ZINC000186841487 1140224989 /nfs/dbraw/zinc/22/49/89/1140224989.db2.gz JDGPEZOUIGXPGU-SNVBAGLBSA-N -1 1 331.865 3.706 20 0 EHADMM CCOc1cc(C(=O)N2CCCC[C@H](SC)C2)cc(Cl)c1[O-] ZINC000186885785 1140226794 /nfs/dbraw/zinc/22/67/94/1140226794.db2.gz OBQUXTXPDGRGDC-LBPRGKRZSA-N -1 1 343.876 3.802 20 0 EHADMM CCc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)sc1C ZINC000339132106 1141505352 /nfs/dbraw/zinc/50/53/52/1141505352.db2.gz GJTWNIUOYHUDFK-UHFFFAOYSA-N -1 1 327.409 3.967 20 0 EHADMM CN(Cc1c(F)cccc1Cl)C(=O)c1c(F)ccc([O-])c1F ZINC000339233811 1141536750 /nfs/dbraw/zinc/53/67/50/1141536750.db2.gz KQUYNWUWMRQBKU-UHFFFAOYSA-N -1 1 329.705 3.735 20 0 EHADMM O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cncc([O-])c1 ZINC000348780789 1141578574 /nfs/dbraw/zinc/57/85/74/1141578574.db2.gz MQQNMPKUPKOYID-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000104179632 219356077 /nfs/dbraw/zinc/35/60/77/219356077.db2.gz RFJYKTBTNNUPNJ-GHMZBOCLSA-N -1 1 326.234 3.711 20 0 EHADMM CCc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736684956 598570885 /nfs/dbraw/zinc/57/08/85/598570885.db2.gz IMKYVJKMBMLDEM-SNVBAGLBSA-N -1 1 328.807 3.651 20 0 EHADMM CCc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736684956 598570886 /nfs/dbraw/zinc/57/08/86/598570886.db2.gz IMKYVJKMBMLDEM-SNVBAGLBSA-N -1 1 328.807 3.651 20 0 EHADMM Clc1ccc2c(c1)CC[C@@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737573364 598576799 /nfs/dbraw/zinc/57/67/99/598576799.db2.gz KMWVQDXTSNZYCB-LBPRGKRZSA-N -1 1 347.209 3.668 20 0 EHADMM Clc1ccc2c(c1)CC[C@@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737573364 598576801 /nfs/dbraw/zinc/57/68/01/598576801.db2.gz KMWVQDXTSNZYCB-LBPRGKRZSA-N -1 1 347.209 3.668 20 0 EHADMM CC(C)[C@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735748098 598756655 /nfs/dbraw/zinc/75/66/55/598756655.db2.gz HUGDQYUYGHTPGK-DTWKUNHWSA-N -1 1 326.857 3.603 20 0 EHADMM CC(C)[C@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735748098 598756656 /nfs/dbraw/zinc/75/66/56/598756656.db2.gz HUGDQYUYGHTPGK-DTWKUNHWSA-N -1 1 326.857 3.603 20 0 EHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cc(Cl)ccc1Cl ZINC000736140200 599419630 /nfs/dbraw/zinc/41/96/30/599419630.db2.gz ZTXOHPRYSCFTHB-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cc(Cl)ccc1Cl ZINC000736140200 599419633 /nfs/dbraw/zinc/41/96/33/599419633.db2.gz ZTXOHPRYSCFTHB-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000650506251 599753937 /nfs/dbraw/zinc/75/39/37/599753937.db2.gz FEXIOEGMKVQANX-OAHLLOKOSA-N -1 1 334.416 3.778 20 0 EHADMM CCc1ccc(-c2nc(CN3CCC(C(=O)[O-])CC3)cs2)cc1 ZINC000262626513 599966396 /nfs/dbraw/zinc/96/63/96/599966396.db2.gz GFAZSFHFHJXGHW-UHFFFAOYSA-N -1 1 330.453 3.669 20 0 EHADMM CC[C@](NCc1ccccc1Br)(C(=O)[O-])c1ccccc1 ZINC000048870200 600126874 /nfs/dbraw/zinc/12/68/74/600126874.db2.gz BTLKHYJNNSICGK-QGZVFWFLSA-N -1 1 348.240 3.929 20 0 EHADMM CCC[C@@](C)(NCC(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000736962421 600153930 /nfs/dbraw/zinc/15/39/30/600153930.db2.gz FNFFGCMIZJTQHY-HXUWFJFHSA-N -1 1 340.423 3.525 20 0 EHADMM COc1ccc(C2(NCc3cc(C(=O)[O-])c(C)o3)CCCC2)cc1 ZINC000737983203 600284615 /nfs/dbraw/zinc/28/46/15/600284615.db2.gz SQNLSZGZZVXGBZ-UHFFFAOYSA-N -1 1 329.396 3.854 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000263583255 600320910 /nfs/dbraw/zinc/32/09/10/600320910.db2.gz ZRJRDZFLVKJRCP-UHFFFAOYSA-N -1 1 341.251 3.702 20 0 EHADMM CC[C@@H](NCc1ccc(OC)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000736920005 600452662 /nfs/dbraw/zinc/45/26/62/600452662.db2.gz GGTOFGMJXIKOFI-MRXNPFEDSA-N -1 1 335.350 3.913 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(-n3cnc4ccccc43)cc2)o1 ZINC000740132847 600524077 /nfs/dbraw/zinc/52/40/77/600524077.db2.gz LPYIRWVOAAGABI-UHFFFAOYSA-N -1 1 347.374 3.607 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000533202587 600557723 /nfs/dbraw/zinc/55/77/23/600557723.db2.gz CHUXXERRTNUJGI-UHFFFAOYSA-N -1 1 346.471 3.859 20 0 EHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000573452098 600793613 /nfs/dbraw/zinc/79/36/13/600793613.db2.gz FDRGNQMAZYMTGH-UKRRQHHQSA-N -1 1 326.396 3.589 20 0 EHADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCC1CCCC1)CC2 ZINC000583149437 600947681 /nfs/dbraw/zinc/94/76/81/600947681.db2.gz QEWGBWZBLFJLGG-QGZVFWFLSA-N -1 1 347.455 3.658 20 0 EHADMM COc1ccc([C@@H](NCc2cc(Cl)ccc2Cl)C(=O)[O-])cc1 ZINC000737974823 600953355 /nfs/dbraw/zinc/95/33/55/600953355.db2.gz WUWXCOWKHWOSKM-OAHLLOKOSA-N -1 1 340.206 3.918 20 0 EHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c(OCC2CC2)c1 ZINC000832933935 601494682 /nfs/dbraw/zinc/49/46/82/601494682.db2.gz LDGPEDLIDCEQKF-LJQANCHMSA-N -1 1 343.398 3.838 20 0 EHADMM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000576642399 601615816 /nfs/dbraw/zinc/61/58/16/601615816.db2.gz CSCMEMZGUFNTTB-UHFFFAOYSA-N -1 1 343.448 3.850 20 0 EHADMM C[C@@H](CN(Cc1nc2cc(F)ccc2o1)Cc1ccccc1)C(=O)[O-] ZINC000827455573 601624752 /nfs/dbraw/zinc/62/47/52/601624752.db2.gz LTBVIKIIGGLZSH-ZDUSSCGKSA-N -1 1 342.370 3.690 20 0 EHADMM CCn1cncc1[C@@H]1CCCCN1Cc1cc(C(=O)[O-])sc1C ZINC000830429873 601625256 /nfs/dbraw/zinc/62/52/56/601625256.db2.gz WERDTGBOFRHNQB-AWEZNQCLSA-N -1 1 333.457 3.698 20 0 EHADMM O=C([O-])c1cccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1 ZINC000833329846 601637290 /nfs/dbraw/zinc/63/72/90/601637290.db2.gz HXEVJPHLHAUFMU-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000827735657 601833240 /nfs/dbraw/zinc/83/32/40/601833240.db2.gz XFNQAISEAQMSBL-LLVKDONJSA-N -1 1 327.409 3.687 20 0 EHADMM CN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(OC(F)(F)F)c1 ZINC000580456812 601910087 /nfs/dbraw/zinc/91/00/87/601910087.db2.gz RVQHOQIHQSPJFW-UHFFFAOYSA-N -1 1 329.274 3.508 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000827134128 601952926 /nfs/dbraw/zinc/95/29/26/601952926.db2.gz FHWCYQRMPCVDII-HXUWFJFHSA-N -1 1 346.471 3.669 20 0 EHADMM COc1ccccc1CN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832618075 601971170 /nfs/dbraw/zinc/97/11/70/601971170.db2.gz KZODDNJXJFOLHT-HNNXBMFYSA-N -1 1 340.206 3.918 20 0 EHADMM c1ccc2c(c1)oc1ccc(NCc3ccnc(-c4nnn[n-]4)c3)cc12 ZINC000826524087 607548414 /nfs/dbraw/zinc/54/84/14/607548414.db2.gz IXOXSYGZHAUWDN-UHFFFAOYSA-N -1 1 342.362 3.773 20 0 EHADMM c1ccc2c(c1)oc1ccc(NCc3ccnc(-c4nn[n-]n4)c3)cc12 ZINC000826524087 607548416 /nfs/dbraw/zinc/54/84/16/607548416.db2.gz IXOXSYGZHAUWDN-UHFFFAOYSA-N -1 1 342.362 3.773 20 0 EHADMM O=C([O-])[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1cccc(Cl)c1 ZINC000833168177 602305751 /nfs/dbraw/zinc/30/57/51/602305751.db2.gz VOEWZBPZNCKHMA-UKRRQHHQSA-N -1 1 338.190 3.842 20 0 EHADMM C[C@@H](N[C@@H](CNC(=O)[O-])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000825473625 604363064 /nfs/dbraw/zinc/36/30/64/604363064.db2.gz SZIVQSQCYNBSLL-RISCZKNCSA-N -1 1 331.441 3.507 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccccc1 ZINC000833407725 604562068 /nfs/dbraw/zinc/56/20/68/604562068.db2.gz NWYYIRRWUYLFOS-RDTXWAMCSA-N -1 1 342.439 3.811 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H](NCc1csc(C2CC2)n1)c1ccccc1 ZINC000826106234 604628292 /nfs/dbraw/zinc/62/82/92/604628292.db2.gz VQGSCVYHWDPBJW-HNNXBMFYSA-N -1 1 330.453 3.962 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(F)cc(C(F)(F)F)c1)CC2 ZINC000405364267 604648975 /nfs/dbraw/zinc/64/89/75/604648975.db2.gz HXNKMJMYYXQJEH-CYBMUJFWSA-N -1 1 331.309 3.531 20 0 EHADMM CSC[C@H]1CCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000582186841 604676261 /nfs/dbraw/zinc/67/62/61/604676261.db2.gz TUFRFQZCYDQGOC-OAHLLOKOSA-N -1 1 348.493 3.836 20 0 EHADMM CCCCC[C@@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000829347768 604677262 /nfs/dbraw/zinc/67/72/62/604677262.db2.gz MGOFURDCYUCOIB-CQSZACIVSA-N -1 1 343.427 3.578 20 0 EHADMM O=C([O-])CCCN(Cc1nc2cc(F)ccc2o1)Cc1ccccc1 ZINC000833226855 604786693 /nfs/dbraw/zinc/78/66/93/604786693.db2.gz MTAKIBDZZFWNGT-UHFFFAOYSA-N -1 1 342.370 3.834 20 0 EHADMM O=C([O-])C[C@H]1CCCN1Cn1c(-c2ccccc2)csc1=S ZINC000833211170 604979425 /nfs/dbraw/zinc/97/94/25/604979425.db2.gz UVCKLOHIRITLMB-CYBMUJFWSA-N -1 1 334.466 3.843 20 0 EHADMM CCOc1ccc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1OCC ZINC000833663448 605059673 /nfs/dbraw/zinc/05/96/73/605059673.db2.gz JPBVZYUPRHANKW-CYBMUJFWSA-N -1 1 347.411 3.934 20 0 EHADMM CCCOc1ccc([C@@H](C)NCc2occc2C(=O)[O-])cc1OC ZINC000833652396 605076957 /nfs/dbraw/zinc/07/69/57/605076957.db2.gz SUNGIKQOCHCOPR-GFCCVEGCSA-N -1 1 333.384 3.626 20 0 EHADMM CC(C)(C)C[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000833429847 605149967 /nfs/dbraw/zinc/14/99/67/605149967.db2.gz PPHWRLRZAZYRER-LXKVQUBZSA-N -1 1 331.441 3.957 20 0 EHADMM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000190628266 605222873 /nfs/dbraw/zinc/22/28/73/605222873.db2.gz AMXXOWRTKMERGN-UHFFFAOYSA-N -1 1 329.400 3.660 20 0 EHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000833420372 605244576 /nfs/dbraw/zinc/24/45/76/605244576.db2.gz QURFTRWGSNOYEW-JTQLQIEISA-N -1 1 331.243 3.711 20 0 EHADMM O=C([O-])Nc1ccc(CN2CCC(OCC3CCCCC3)CC2)cn1 ZINC000834260080 605564152 /nfs/dbraw/zinc/56/41/52/605564152.db2.gz KTUJNTFXZMVANI-UHFFFAOYSA-N -1 1 347.459 3.733 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000833812821 605601573 /nfs/dbraw/zinc/60/15/73/605601573.db2.gz LYDLECVHOFIFJM-UKRRQHHQSA-N -1 1 345.468 3.678 20 0 EHADMM C[C@@H](CCN[C@H](c1cc2ccccc2o1)c1cccnc1)NC(=O)[O-] ZINC000833806517 605686051 /nfs/dbraw/zinc/68/60/51/605686051.db2.gz XVFYFWZVTDNEDC-UGSOOPFHSA-N -1 1 339.395 3.553 20 0 EHADMM O=C([O-])N1CCC([C@H](NCc2ccoc2)c2ccc(F)cc2)CC1 ZINC000834071901 605982343 /nfs/dbraw/zinc/98/23/43/605982343.db2.gz ALEPIZOSRGITSP-QGZVFWFLSA-N -1 1 332.375 3.640 20 0 EHADMM Cc1occc1CN[C@H](c1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000833939321 605982539 /nfs/dbraw/zinc/98/25/39/605982539.db2.gz SHAWHMPYNXTUHV-GOSISDBHSA-N -1 1 346.402 3.948 20 0 EHADMM ClC(=Cc1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2o1 ZINC000822563174 606389505 /nfs/dbraw/zinc/38/95/05/606389505.db2.gz GAZUJCNGAIQIGH-CLFYSBASSA-N -1 1 329.772 3.806 20 0 EHADMM Cc1ccc([C@@H]2CCCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000822233116 606469355 /nfs/dbraw/zinc/46/93/55/606469355.db2.gz IHYWNQBHGXNFND-LBPRGKRZSA-N -1 1 344.806 3.548 20 0 EHADMM Cc1ccc([C@@H]2CCCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000822233116 606469357 /nfs/dbraw/zinc/46/93/57/606469357.db2.gz IHYWNQBHGXNFND-LBPRGKRZSA-N -1 1 344.806 3.548 20 0 EHADMM Cc1ccsc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826315512 607930719 /nfs/dbraw/zinc/93/07/19/607930719.db2.gz LRWBMVBOARVRAU-UHFFFAOYSA-N -1 1 347.469 3.848 20 0 EHADMM Cc1ccsc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826315512 607930720 /nfs/dbraw/zinc/93/07/20/607930720.db2.gz LRWBMVBOARVRAU-UHFFFAOYSA-N -1 1 347.469 3.848 20 0 EHADMM CSCc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826229275 608182652 /nfs/dbraw/zinc/18/26/52/608182652.db2.gz XYSWNRWTPAOJFG-UHFFFAOYSA-N -1 1 338.849 3.583 20 0 EHADMM CSCc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826229275 608182654 /nfs/dbraw/zinc/18/26/54/608182654.db2.gz XYSWNRWTPAOJFG-UHFFFAOYSA-N -1 1 338.849 3.583 20 0 EHADMM Clc1nsc(Nc2ccc(OCC3CC3)cc2)c1-c1nnn[n-]1 ZINC000826354465 608184177 /nfs/dbraw/zinc/18/41/77/608184177.db2.gz FTFRVSMIWCLRRA-UHFFFAOYSA-N -1 1 348.819 3.509 20 0 EHADMM Clc1nsc(Nc2ccc(OCC3CC3)cc2)c1-c1nn[n-]n1 ZINC000826354465 608184179 /nfs/dbraw/zinc/18/41/79/608184179.db2.gz FTFRVSMIWCLRRA-UHFFFAOYSA-N -1 1 348.819 3.509 20 0 EHADMM Cc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826292581 608185351 /nfs/dbraw/zinc/18/53/51/608185351.db2.gz BMTUMUSZPXCOHD-UHFFFAOYSA-N -1 1 328.184 3.731 20 0 EHADMM Clc1ccc2nc(NCc3ccc(-c4nn[n-]n4)s3)sc2c1 ZINC000826352907 609264796 /nfs/dbraw/zinc/26/47/96/609264796.db2.gz SGKUDHWAHMGYQD-UHFFFAOYSA-N -1 1 348.844 3.803 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)cc(Br)c2)C1 ZINC000093996341 949173137 /nfs/dbraw/zinc/17/31/37/949173137.db2.gz WETWUEPRPGRZEL-OAHLLOKOSA-N -1 1 344.224 3.665 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2Br)C1 ZINC000263021029 950219007 /nfs/dbraw/zinc/21/90/07/950219007.db2.gz DZYVDZYDSIUWTJ-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])c1cccc(CNCc2ccc(Br)cc2F)c1 ZINC000683175884 954603821 /nfs/dbraw/zinc/60/38/21/954603821.db2.gz CHCRZTCSIPSUIU-UHFFFAOYSA-N -1 1 338.176 3.576 20 0 EHADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000226465122 959879520 /nfs/dbraw/zinc/87/95/20/959879520.db2.gz LTIUWBQUJMTCJY-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM C[C@H]1CCN(Cc2ccc(Br)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229299063 960074705 /nfs/dbraw/zinc/07/47/05/960074705.db2.gz AJEVJSHBASDCFW-TVQRCGJNSA-N -1 1 346.652 3.788 20 0 EHADMM O=C([O-])CCCN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000262459435 961734423 /nfs/dbraw/zinc/73/44/23/961734423.db2.gz XHUOGOZNVOXMCH-CYBMUJFWSA-N -1 1 330.197 3.590 20 0 EHADMM O=C([O-])c1cccc(CNCc2ccccc2OC2CCCC2)c1 ZINC000262699661 961812892 /nfs/dbraw/zinc/81/28/92/961812892.db2.gz JLVMRGVUJJWTPZ-UHFFFAOYSA-N -1 1 325.408 3.996 20 0 EHADMM CC(C)(C)CC[C@H]([NH2+]Cc1cccc([O-])c1Br)C(=O)[O-] ZINC000414655046 968341980 /nfs/dbraw/zinc/34/19/80/968341980.db2.gz JLRZYOQOAIOJOZ-NSHDSACASA-N -1 1 344.249 3.524 20 0 EHADMM Cc1cccc([C@@H](NCc2ccc(OC(F)F)cc2F)C(=O)[O-])c1 ZINC001605332002 973213803 /nfs/dbraw/zinc/21/38/03/973213803.db2.gz ZKYLIRUEBVMQAN-OAHLLOKOSA-N -1 1 339.313 3.651 20 0 EHADMM COc1cc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])ccc1Cl ZINC001604709413 973910068 /nfs/dbraw/zinc/91/00/68/973910068.db2.gz KFKMFZSJLDSVDW-QGZVFWFLSA-N -1 1 331.799 3.533 20 0 EHADMM CO[C@@]1(C)C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C1(C)C ZINC000571930480 974738822 /nfs/dbraw/zinc/73/88/22/974738822.db2.gz OBIPWVWYCYQLIP-PBHICJAKSA-N -1 1 325.836 3.674 20 0 EHADMM COC[C@@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000578329466 974853059 /nfs/dbraw/zinc/85/30/59/974853059.db2.gz FAMFPHAXTQUSJU-QGZVFWFLSA-N -1 1 347.842 3.728 20 0 EHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460832250 1032087650 /nfs/dbraw/zinc/08/76/50/1032087650.db2.gz UDFDFXXIDYUSDU-ZDUSSCGKSA-N -1 1 337.416 3.951 20 0 EHADMM CCOC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000652394262 975520304 /nfs/dbraw/zinc/52/03/04/975520304.db2.gz SLOKGWQOTXXMTD-CQSZACIVSA-N -1 1 332.227 3.620 20 0 EHADMM CCCn1c2ccccc2nc1CN1CCC(CCC(=O)[O-])CC1 ZINC000665342208 975958020 /nfs/dbraw/zinc/95/80/20/975958020.db2.gz UJZLKRDJVOYUFK-UHFFFAOYSA-N -1 1 329.444 3.523 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2oc3c(c2C)c(C)ccc3C)n1 ZINC000339391911 1014327297 /nfs/dbraw/zinc/32/72/97/1014327297.db2.gz RGXIJWAQTCHOLE-UHFFFAOYSA-N -1 1 341.367 3.510 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001591986385 976607852 /nfs/dbraw/zinc/60/78/52/976607852.db2.gz DEKGPCHEVUMHLP-RHSMWYFYSA-N -1 1 346.471 3.667 20 0 EHADMM CC(C)c1csc(CNCc2c3ccccc3[nH]c2C(=O)[O-])n1 ZINC001592008119 976673497 /nfs/dbraw/zinc/67/34/97/976673497.db2.gz GISIPNJIKYIFNG-UHFFFAOYSA-N -1 1 329.425 3.736 20 0 EHADMM CC(C)c1nnc(CNC[C@H]2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC001592060598 976805154 /nfs/dbraw/zinc/80/51/54/976805154.db2.gz RRJFIEWIBZDECT-CQSZACIVSA-N -1 1 345.468 3.569 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000756349836 978699059 /nfs/dbraw/zinc/69/90/59/978699059.db2.gz NITMCXLHUQZHAN-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM CC1(C)Cc2cc(CN[C@H](C(=O)[O-])c3cc(F)ccc3F)ccc2O1 ZINC000756358766 978699079 /nfs/dbraw/zinc/69/90/79/978699079.db2.gz CRZZTNKPJQQWAV-KRWDZBQOSA-N -1 1 347.361 3.594 20 0 EHADMM C[C@H]1c2ccc(F)cc2CCN1CCOc1ccccc1C(=O)[O-] ZINC000823609194 978939302 /nfs/dbraw/zinc/93/93/02/978939302.db2.gz PXMLLPIPLHMCAC-ZDUSSCGKSA-N -1 1 329.371 3.522 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000830363771 979016453 /nfs/dbraw/zinc/01/64/53/979016453.db2.gz XUVCWOUXXQLHRP-AWEZNQCLSA-N -1 1 349.452 3.783 20 0 EHADMM C/C(=C/CN1CCC(c2ccccc2Br)CC1)C(=O)[O-] ZINC000846253464 979427089 /nfs/dbraw/zinc/42/70/89/979427089.db2.gz DPZYMPKLYRZKAR-SDQBBNPISA-N -1 1 338.245 3.659 20 0 EHADMM CC[C@@H](CN1CCc2c(C(=O)[O-])ccc(OC)c2C1)c1ccccc1 ZINC000871621006 979960137 /nfs/dbraw/zinc/96/01/37/979960137.db2.gz QTUDDAXKSFBONU-HNNXBMFYSA-N -1 1 339.435 3.945 20 0 EHADMM Cc1cc(CNCc2ccc(CC(=O)[O-])cc2)c(OC(F)F)cc1C ZINC000901535875 980364270 /nfs/dbraw/zinc/36/42/70/980364270.db2.gz BLPSZUPUFHHYHQ-UHFFFAOYSA-N -1 1 349.377 3.822 20 0 EHADMM O=C([O-])CCN(Cc1ccc(Oc2ccccc2)o1)C[C@H]1CCCO1 ZINC000901680993 980445415 /nfs/dbraw/zinc/44/54/15/980445415.db2.gz JNOLSQMSUILBPP-MRXNPFEDSA-N -1 1 345.395 3.528 20 0 EHADMM CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001595364186 980791597 /nfs/dbraw/zinc/79/15/97/980791597.db2.gz PFWBDMNRJALSPN-CPFIRTDXSA-N -1 1 329.396 3.969 20 0 EHADMM CC[C@H](c1ccccc1OC)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001595364192 980791635 /nfs/dbraw/zinc/79/16/35/980791635.db2.gz PFWBDMNRJALSPN-WFTPILKQSA-N -1 1 329.396 3.969 20 0 EHADMM CCc1oc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1C(=O)[O-] ZINC000902351623 980845765 /nfs/dbraw/zinc/84/57/65/980845765.db2.gz UAUJWNHXLFMKRD-KDOFPFPSSA-N -1 1 343.423 3.798 20 0 EHADMM CCN(Cc1cccc(Br)c1)Cc1cccc(C(=O)[O-])n1 ZINC001596364612 983850491 /nfs/dbraw/zinc/85/04/91/983850491.db2.gz QSLUMTXVTYRVCO-UHFFFAOYSA-N -1 1 349.228 3.564 20 0 EHADMM C[C@H](NCc1occc1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001599901881 984848586 /nfs/dbraw/zinc/84/85/86/984848586.db2.gz SPOMUKJWNAKTOI-VIFPVBQESA-N -1 1 329.274 3.727 20 0 EHADMM Cc1[nH]c(C(=O)CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599944166 985495424 /nfs/dbraw/zinc/49/54/24/985495424.db2.gz JKTWLWCYCNCEKB-SMDDNHRTSA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCCC3(CCCCC3)CC2)c(C)c1C(=O)[O-] ZINC001599944858 985508599 /nfs/dbraw/zinc/50/85/99/985508599.db2.gz JSTRWYJDPMRAFC-UHFFFAOYSA-N -1 1 346.471 3.949 20 0 EHADMM CC(=O)Nc1cccc([C@@H](C)NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1 ZINC001589204762 985664634 /nfs/dbraw/zinc/66/46/34/985664634.db2.gz CMTHOGANAPRWQR-GFCCVEGCSA-N -1 1 343.427 3.646 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCC1(F)F ZINC001594503438 985698580 /nfs/dbraw/zinc/69/85/80/985698580.db2.gz YMOPFMQUAQJEDK-SKDRFNHKSA-N -1 1 337.288 3.808 20 0 EHADMM CCOc1ccc2nc(SC[C@H]3CCCC[C@@H]3C(=O)[O-])[nH]c2c1 ZINC001597145974 986909185 /nfs/dbraw/zinc/90/91/85/986909185.db2.gz QCFCXUOAOUCVJN-YPMHNXCESA-N -1 1 334.441 3.945 20 0 EHADMM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1 ZINC001589511431 987139858 /nfs/dbraw/zinc/13/98/58/987139858.db2.gz CKQGVIVRXAVRJW-SNVBAGLBSA-N -1 1 341.392 3.579 20 0 EHADMM CSc1ccc([C@@H](C)NCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001599821377 988519661 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COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1F ZINC000581034106 1020370445 /nfs/dbraw/zinc/37/04/45/1020370445.db2.gz YQVHQOMTGTVYIO-UHFFFAOYSA-N -1 1 345.342 3.881 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H](O)Cc1ccccc1 ZINC001167445189 1020404037 /nfs/dbraw/zinc/40/40/37/1020404037.db2.gz UQDHXVOCHTYMOM-KRWDZBQOSA-N -1 1 341.794 3.741 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000096743692 1020610434 /nfs/dbraw/zinc/61/04/34/1020610434.db2.gz KDUNQWPYTOQWFW-UHFFFAOYSA-N -1 1 346.433 3.620 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2cccc(F)c2F)CC1 ZINC000581285144 1020634685 /nfs/dbraw/zinc/63/46/85/1020634685.db2.gz CAGHLPZZVUJENR-UHFFFAOYSA-N -1 1 335.325 3.829 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000439118620 1021164079 /nfs/dbraw/zinc/16/40/79/1021164079.db2.gz MFFCBQLWDMTKGW-PWSUYJOCSA-N -1 1 345.374 3.581 20 0 EHADMM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000656737366 1021231531 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CC(C)COc1ncccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436869840 1021312598 /nfs/dbraw/zinc/31/25/98/1021312598.db2.gz CBYDAPHPJIHZBH-UHFFFAOYSA-N -1 1 329.331 3.678 20 0 EHADMM O=C(Nc1cccc(-c2cn[nH]n2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000436883382 1021335883 /nfs/dbraw/zinc/33/58/83/1021335883.db2.gz FEEUIMKNZQZEMN-UHFFFAOYSA-N -1 1 349.177 3.736 20 0 EHADMM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000436893073 1021345750 /nfs/dbraw/zinc/34/57/50/1021345750.db2.gz MJPRDQWKWLZJJO-XJKSGUPXSA-N -1 1 325.836 3.759 20 0 EHADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C)ccc1C ZINC000506552088 1021370661 /nfs/dbraw/zinc/37/06/61/1021370661.db2.gz AISDRSRYFYJRQS-UHFFFAOYSA-N -1 1 347.436 3.589 20 0 EHADMM O=C(Nc1ccc(CO)c(Cl)c1)c1cc2ccccc2cc1[O-] ZINC000436916442 1021374879 /nfs/dbraw/zinc/37/48/79/1021374879.db2.gz UFPBSRFALYOAAI-UHFFFAOYSA-N -1 1 327.767 3.943 20 0 EHADMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1ccccc1 ZINC000436918555 1021375607 /nfs/dbraw/zinc/37/56/07/1021375607.db2.gz HHWGUQBIOBHIIZ-ZBEGNZNMSA-N -1 1 346.224 3.988 20 0 EHADMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1c([O-])cccc1F)CC3 ZINC000436920736 1021379144 /nfs/dbraw/zinc/37/91/44/1021379144.db2.gz SPYOEWZKLAFXPI-LBPRGKRZSA-N -1 1 338.382 3.608 20 0 EHADMM O=C(NCCc1ccccc1C(F)(F)F)c1c([O-])cccc1F ZINC000436944030 1021405094 /nfs/dbraw/zinc/40/50/94/1021405094.db2.gz IOYWQFCOYKOCJU-UHFFFAOYSA-N -1 1 327.277 3.523 20 0 EHADMM O=C1CCc2cccc(-c3nc(-c4ccc([O-])cc4Cl)no3)c2C1 ZINC000436954051 1021419079 /nfs/dbraw/zinc/41/90/79/1021419079.db2.gz DMAHSDYIOULUJA-UHFFFAOYSA-N -1 1 340.766 3.820 20 0 EHADMM O=C(C(=O)N1CCc2cc(-c3ccccc3)ccc21)c1ccc([O-])cc1 ZINC000436960305 1021423178 /nfs/dbraw/zinc/42/31/78/1021423178.db2.gz GUWBJHRINKRBAO-UHFFFAOYSA-N -1 1 343.382 3.831 20 0 EHADMM Cc1cnc([C@H](C)CNC(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000436985368 1021454758 /nfs/dbraw/zinc/45/47/58/1021454758.db2.gz CRKIQGQTWXIJAV-MRVPVSSYSA-N -1 1 344.358 3.709 20 0 EHADMM Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccc([O-])cc2F)s1 ZINC000436984870 1021455242 /nfs/dbraw/zinc/45/52/42/1021455242.db2.gz BOGYHPSMZALJJB-UHFFFAOYSA-N -1 1 347.346 3.750 20 0 EHADMM COc1ccc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cc1F ZINC000078566758 1021574251 /nfs/dbraw/zinc/57/42/51/1021574251.db2.gz CKTMIYPOOWAZNH-UHFFFAOYSA-N -1 1 339.366 3.965 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2csc(-c3ccc(F)cc3)n2)n1 ZINC000188092455 1021816053 /nfs/dbraw/zinc/81/60/53/1021816053.db2.gz QKUXPHVDBUUNQU-UHFFFAOYSA-N -1 1 347.440 3.887 20 0 EHADMM Cc1cnc(Cl)c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000891547896 1021889075 /nfs/dbraw/zinc/88/90/75/1021889075.db2.gz QJBAXQYLWHQZKP-UHFFFAOYSA-N -1 1 344.842 3.844 20 0 EHADMM COc1cc(OC)cc(N(C)C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000188229712 1021953212 /nfs/dbraw/zinc/95/32/12/1021953212.db2.gz KNRHQNLKPPPQFO-UHFFFAOYSA-N -1 1 337.375 3.839 20 0 EHADMM CC[C@@H]1CCCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000135647264 1123634788 /nfs/dbraw/zinc/63/47/88/1123634788.db2.gz PCXHVOWBQDKZNY-GFCCVEGCSA-N -1 1 326.234 3.950 20 0 EHADMM C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000517370358 1022289591 /nfs/dbraw/zinc/28/95/91/1022289591.db2.gz FNBPBUVYLAPVNB-NOZJJQNGSA-N -1 1 335.753 3.901 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000517370358 1022289601 /nfs/dbraw/zinc/28/96/01/1022289601.db2.gz FNBPBUVYLAPVNB-NOZJJQNGSA-N -1 1 335.753 3.901 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000085650483 1022451537 /nfs/dbraw/zinc/45/15/37/1022451537.db2.gz ASKBTWXILQKYEV-UHFFFAOYSA-N -1 1 337.753 3.639 20 0 EHADMM FC(F)(F)Cn1cc([N-]c2nc(-c3ccccc3)ns2)cn1 ZINC000125027710 1022600581 /nfs/dbraw/zinc/60/05/81/1022600581.db2.gz XEHKMTNPOFIZHG-UHFFFAOYSA-N -1 1 325.319 3.708 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000476246032 1033083361 /nfs/dbraw/zinc/08/33/61/1033083361.db2.gz LFQXUCQJJSZVRU-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426123421 1022953330 /nfs/dbraw/zinc/95/33/30/1022953330.db2.gz MTAKBQIHPMRBHP-INIZCTEOSA-N -1 1 329.469 3.753 20 0 EHADMM Cc1ccc(-c2ncc(CNCc3ccc(C(=O)[O-])cc3)s2)o1 ZINC000426682944 1022955378 /nfs/dbraw/zinc/95/53/78/1022955378.db2.gz NHRQRUPXGKBJAS-UHFFFAOYSA-N -1 1 328.393 3.700 20 0 EHADMM COc1ccccc1-c1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000426688433 1022976581 /nfs/dbraw/zinc/97/65/81/1022976581.db2.gz QJGUENOCXOCPGM-UHFFFAOYSA-N -1 1 337.375 3.943 20 0 EHADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000341680849 1022988011 /nfs/dbraw/zinc/98/80/11/1022988011.db2.gz FILKOECFAOPTOA-LBPRGKRZSA-N -1 1 339.370 3.739 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Br ZINC000438802001 1023003535 /nfs/dbraw/zinc/00/35/35/1023003535.db2.gz BCCRSMNSDVVTNT-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1nc2c(s1)C[C@H](C)CC2)c1ccccc1 ZINC000426754266 1023026261 /nfs/dbraw/zinc/02/62/61/1023026261.db2.gz OZDCZRHKJUPMOT-VBHSOAQHSA-N -1 1 344.480 3.820 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2)o1 ZINC000426785801 1023042565 /nfs/dbraw/zinc/04/25/65/1023042565.db2.gz ZEFQIUJXVBKQCT-CYBMUJFWSA-N -1 1 327.302 3.912 20 0 EHADMM O=S(=O)([N-]c1ccsc1Cl)c1c(F)cccc1Cl ZINC000189733673 1023095228 /nfs/dbraw/zinc/09/52/28/1023095228.db2.gz DJVVHXDWWFOILW-UHFFFAOYSA-N -1 1 326.201 3.995 20 0 EHADMM CC1(C)COc2c1cccc2C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000518306305 1023220561 /nfs/dbraw/zinc/22/05/61/1023220561.db2.gz NTNFAOOAEBSUCX-UHFFFAOYSA-N -1 1 349.390 3.705 20 0 EHADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000133576675 1023494647 /nfs/dbraw/zinc/49/46/47/1023494647.db2.gz STNKMGQXTVVJEP-WCQYABFASA-N -1 1 344.274 3.559 20 0 EHADMM O=C([O-])C[C@@H](NCc1sccc1Br)c1ccsc1 ZINC000276979020 1023530626 /nfs/dbraw/zinc/53/06/26/1023530626.db2.gz IBWPPRCSIVRZBE-SNVBAGLBSA-N -1 1 346.271 3.878 20 0 EHADMM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)[nH]n2)cc1 ZINC000471990994 1023948162 /nfs/dbraw/zinc/94/81/62/1023948162.db2.gz ZOVYJVKJUXFUEL-UHFFFAOYSA-N -1 1 349.390 3.952 20 0 EHADMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000897797078 1033181444 /nfs/dbraw/zinc/18/14/44/1033181444.db2.gz JNZSOQBEMJLBRD-AWEZNQCLSA-N -1 1 343.423 3.671 20 0 EHADMM COc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1Cl ZINC000417695678 1024358634 /nfs/dbraw/zinc/35/86/34/1024358634.db2.gz BODVEGIBQKFXTF-UHFFFAOYSA-N -1 1 346.814 3.609 20 0 EHADMM O=C([N-][C@@H]1CCn2ccnc21)C(F)(F)c1cccc(Cl)c1Cl ZINC000843601467 1024528319 /nfs/dbraw/zinc/52/83/19/1024528319.db2.gz MYHJMKNLEBUSIK-SNVBAGLBSA-N -1 1 346.164 3.543 20 0 EHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000474315382 1024746886 /nfs/dbraw/zinc/74/68/86/1024746886.db2.gz TUXBDMCNRPRPDY-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1nc(CNCc2cccc(OC3CCCC3)c2)ccc1C(=O)[O-] ZINC000277380646 1024842884 /nfs/dbraw/zinc/84/28/84/1024842884.db2.gz QVGWDVFSFJNHTG-UHFFFAOYSA-N -1 1 340.423 3.699 20 0 EHADMM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)[nH]n1 ZINC000474425350 1024942441 /nfs/dbraw/zinc/94/24/41/1024942441.db2.gz HVXDNRVTPJJUQF-UHFFFAOYSA-N -1 1 329.425 3.562 20 0 EHADMM COc1ccc(CCCC(=O)Nc2c([O-])cccc2F)cc1OC ZINC000896402391 1025408351 /nfs/dbraw/zinc/40/83/51/1025408351.db2.gz DJPKQGVWWPPZSI-UHFFFAOYSA-N -1 1 333.359 3.510 20 0 EHADMM COc1cc(C(=O)N2CC[C@@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000442673518 1025417714 /nfs/dbraw/zinc/41/77/14/1025417714.db2.gz UQZXIOJYSDXUDP-CQSZACIVSA-N -1 1 331.799 3.511 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1 ZINC000436149185 1025419428 /nfs/dbraw/zinc/41/94/28/1025419428.db2.gz DHBREGMAOZYTAL-UHFFFAOYSA-N -1 1 341.379 3.746 20 0 EHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000436171896 1025444374 /nfs/dbraw/zinc/44/43/74/1025444374.db2.gz FDXTXEBFKQJCCF-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cc(-c3ccc(F)cc3)no2)n1 ZINC000436196672 1025469958 /nfs/dbraw/zinc/46/99/58/1025469958.db2.gz IUQXGHGYDMOVNZ-UHFFFAOYSA-N -1 1 331.372 3.831 20 0 EHADMM COc1cc(C(=O)N2CCc3cc(F)c(F)cc32)cc(Cl)c1[O-] ZINC000442853814 1025550722 /nfs/dbraw/zinc/55/07/22/1025550722.db2.gz JUYPGXBDGQEDJY-UHFFFAOYSA-N -1 1 339.725 3.535 20 0 EHADMM COc1cc(-c2nc(-c3ccc(N(C)C)cc3)no2)cc(Cl)c1[O-] ZINC000443104716 1025718125 /nfs/dbraw/zinc/71/81/25/1025718125.db2.gz VEBYPDDRELOGJO-UHFFFAOYSA-N -1 1 345.786 3.837 20 0 EHADMM Cc1cccc2oc(CCNC(=O)c3ccc4ccccc4c3[O-])nc21 ZINC000436495833 1025780207 /nfs/dbraw/zinc/78/02/07/1025780207.db2.gz YLJOTOGBABWRNT-UHFFFAOYSA-N -1 1 346.386 3.968 20 0 EHADMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2c([O-])cccc2F)cc1 ZINC000436511340 1025808257 /nfs/dbraw/zinc/80/82/57/1025808257.db2.gz IGZIBAHAVDSJBP-DNVCBOLYSA-N -1 1 343.398 3.737 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2ccc(Cl)s2)c1 ZINC000436502781 1025817692 /nfs/dbraw/zinc/81/76/92/1025817692.db2.gz FOZVNJYIZQLUNK-QMMMGPOBSA-N -1 1 339.800 3.636 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000436519867 1025818415 /nfs/dbraw/zinc/81/84/15/1025818415.db2.gz RYQOOSHUEJOWDY-OLZOCXBDSA-N -1 1 345.782 3.574 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(Oc2ccccn2)CC1 ZINC000436526948 1025830298 /nfs/dbraw/zinc/83/02/98/1025830298.db2.gz FYDSIRDPQMWZRP-UHFFFAOYSA-N -1 1 348.402 3.624 20 0 EHADMM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc2ccccc2c1[O-] ZINC000436531612 1025838950 /nfs/dbraw/zinc/83/89/50/1025838950.db2.gz UFRRQAHOAOMZKT-KRWDZBQOSA-N -1 1 349.386 3.965 20 0 EHADMM C[C@H]1SCCN(C(=O)c2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000436533595 1025840314 /nfs/dbraw/zinc/84/03/14/1025840314.db2.gz GOVQCBBOVBMPNJ-PXAZEXFGSA-N -1 1 331.412 3.850 20 0 EHADMM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc2ccccc2c1[O-] ZINC000436556557 1025861001 /nfs/dbraw/zinc/86/10/01/1025861001.db2.gz QXYQIFNTIKGEKI-UHFFFAOYSA-N -1 1 347.374 3.541 20 0 EHADMM COC[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(C)o1 ZINC000436577415 1025881116 /nfs/dbraw/zinc/88/11/16/1025881116.db2.gz UHDJUUFKUVGYLM-MRXNPFEDSA-N -1 1 325.364 3.564 20 0 EHADMM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436569304 1025900447 /nfs/dbraw/zinc/90/04/47/1025900447.db2.gz CIYHJDWJLLHWRH-CYBMUJFWSA-N -1 1 326.234 3.805 20 0 EHADMM COc1cc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000443321008 1025911581 /nfs/dbraw/zinc/91/15/81/1025911581.db2.gz MALCOXRBLIGFPG-TZMCWYRMSA-N -1 1 341.860 3.554 20 0 EHADMM C[C@H](O)C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000436581360 1025922597 /nfs/dbraw/zinc/92/25/97/1025922597.db2.gz FLQCYXDMQAOHDL-HNAYVOBHSA-N -1 1 349.430 3.830 20 0 EHADMM Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436580923 1025922753 /nfs/dbraw/zinc/92/27/53/1025922753.db2.gz CUEIWFRAZQXYOC-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000436583655 1025925552 /nfs/dbraw/zinc/92/55/52/1025925552.db2.gz KOMQSPWATJLPPE-UHFFFAOYSA-N -1 1 337.753 3.639 20 0 EHADMM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc2ccccc2cc1[O-] ZINC000436583066 1025925630 /nfs/dbraw/zinc/92/56/30/1025925630.db2.gz CKKNKTDOBANESZ-MSOLQXFVSA-N -1 1 335.407 3.656 20 0 EHADMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000444213786 1025927829 /nfs/dbraw/zinc/92/78/29/1025927829.db2.gz CUQAIWCAUBKXEU-DTWKUNHWSA-N -1 1 341.782 3.826 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1 ZINC000119775077 1025935611 /nfs/dbraw/zinc/93/56/11/1025935611.db2.gz CMUYAJPBVMEERU-UHFFFAOYSA-N -1 1 344.392 3.541 20 0 EHADMM C[C@H](CC(=O)c1cccs1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436611027 1025944191 /nfs/dbraw/zinc/94/41/91/1025944191.db2.gz UJTIGJWXQCTRAH-GFCCVEGCSA-N -1 1 339.416 3.998 20 0 EHADMM CCCCOc1ccc(OC)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000436628010 1025954468 /nfs/dbraw/zinc/95/44/68/1025954468.db2.gz ZMUSVJWQNRBOBI-UHFFFAOYSA-N -1 1 331.368 3.538 20 0 EHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccc1OC(F)F ZINC000516115967 1026002474 /nfs/dbraw/zinc/00/24/74/1026002474.db2.gz ANXORGQINPPGPY-QMMMGPOBSA-N -1 1 343.276 3.763 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c(OC)c1 ZINC000443414532 1026002750 /nfs/dbraw/zinc/00/27/50/1026002750.db2.gz CLMMGWXFALCQIE-UHFFFAOYSA-N -1 1 349.452 3.738 20 0 EHADMM CCn1c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)nc2ccccc21 ZINC000436677152 1026029695 /nfs/dbraw/zinc/02/96/95/1026029695.db2.gz BQYHMSIIALFREP-UHFFFAOYSA-N -1 1 345.786 3.676 20 0 EHADMM [O-]c1ccc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)c(F)c1 ZINC000436692296 1026038523 /nfs/dbraw/zinc/03/85/23/1026038523.db2.gz WPEBCPHXJLNGGF-UHFFFAOYSA-N -1 1 327.315 3.575 20 0 EHADMM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436687299 1026042614 /nfs/dbraw/zinc/04/26/14/1026042614.db2.gz KQQUILLHRXFCIN-SFHVURJKSA-N -1 1 341.382 3.762 20 0 EHADMM Cc1cccc(C2(CNC(=O)C(=O)c3ccc([O-])cc3)CCCC2)c1 ZINC000436688471 1026043982 /nfs/dbraw/zinc/04/39/82/1026043982.db2.gz OKABUNILMMOUPG-UHFFFAOYSA-N -1 1 337.419 3.512 20 0 EHADMM COc1cc(-c2nc([C@@H]3CC3(Cl)Cl)no2)cc(Cl)c1[O-] ZINC000896809961 1026052843 /nfs/dbraw/zinc/05/28/43/1026052843.db2.gz KDZDYOVJPMJLMI-LURJTMIESA-N -1 1 335.574 3.765 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc1Cl ZINC000314630048 1026070244 /nfs/dbraw/zinc/07/02/44/1026070244.db2.gz LNDMSDPWGLBTPV-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000436717842 1026087522 /nfs/dbraw/zinc/08/75/22/1026087522.db2.gz YANCSLADUDWJCA-UHFFFAOYSA-N -1 1 346.386 3.575 20 0 EHADMM O=C(NCCc1nc2ccccc2s1)c1ccc(Cl)cc1[O-] ZINC000436721891 1026092792 /nfs/dbraw/zinc/09/27/92/1026092792.db2.gz LPEUMZVCINOIKK-UHFFFAOYSA-N -1 1 332.812 3.628 20 0 EHADMM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1sc2ccccc2c1Cl ZINC000451556523 1026110003 /nfs/dbraw/zinc/11/00/03/1026110003.db2.gz VLBJFBSFAAMNNS-IUCAKERBSA-N -1 1 333.837 3.724 20 0 EHADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(F)c2ccccc21 ZINC000436748339 1026138519 /nfs/dbraw/zinc/13/85/19/1026138519.db2.gz FSFQVPJKRXYVBJ-GFCCVEGCSA-N -1 1 337.350 3.745 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCc2sccc2C1 ZINC000684870443 1026254517 /nfs/dbraw/zinc/25/45/17/1026254517.db2.gz BOKDEZOCLOVSBM-UHFFFAOYSA-N -1 1 327.327 3.671 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1cccnc1)C1CC1 ZINC000684870961 1026255924 /nfs/dbraw/zinc/25/59/24/1026255924.db2.gz UNOLACUHWOZHSZ-UHFFFAOYSA-N -1 1 336.313 3.611 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000684871929 1026263649 /nfs/dbraw/zinc/26/36/49/1026263649.db2.gz NPBOLHZSULTBQG-LBPRGKRZSA-N -1 1 339.317 3.502 20 0 EHADMM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CC1)c1sccc1Cl ZINC000451934497 1026382204 /nfs/dbraw/zinc/38/22/04/1026382204.db2.gz CQLYRCJUOVJQBH-UHFFFAOYSA-N -1 1 345.848 3.594 20 0 EHADMM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000452392855 1026707392 /nfs/dbraw/zinc/70/73/92/1026707392.db2.gz ASUBJWMQTMBSGK-UONOGXRCSA-N -1 1 331.362 3.984 20 0 EHADMM CCOc1cc(-c2noc(CO[C@@H](C)CC)n2)cc(Cl)c1[O-] ZINC000277783422 1026925023 /nfs/dbraw/zinc/92/50/23/1026925023.db2.gz ABQFFGQHDIUMOT-VIFPVBQESA-N -1 1 326.780 3.809 20 0 EHADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000075503815 1027139801 /nfs/dbraw/zinc/13/98/01/1027139801.db2.gz JPUKNHBISIFIPS-OAHLLOKOSA-N -1 1 339.782 3.576 20 0 EHADMM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)o1 ZINC000545915898 1027254682 /nfs/dbraw/zinc/25/46/82/1027254682.db2.gz ACYZLANMFQDBFF-GXSJLCMTSA-N -1 1 343.807 3.674 20 0 EHADMM Cc1nc(-c2ccc(N3CCC(C(C)(C)C)CC3)nc2)[n-]c(=O)c1C ZINC000078265254 1027608138 /nfs/dbraw/zinc/60/81/38/1027608138.db2.gz COLWPKRHVMPTBU-UHFFFAOYSA-N -1 1 340.471 3.711 20 0 EHADMM CSCC(C)(C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000503543528 1027860773 /nfs/dbraw/zinc/86/07/73/1027860773.db2.gz NZCBHYPTJXZRLC-UHFFFAOYSA-N -1 1 332.263 3.791 20 0 EHADMM COc1ccc(CCCC(=O)Nc2ccc(F)cc2[O-])c(OC)c1 ZINC000533594141 1028148994 /nfs/dbraw/zinc/14/89/94/1028148994.db2.gz FVVHRFKNFVFXIA-UHFFFAOYSA-N -1 1 333.359 3.510 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1 ZINC000614843623 1028169028 /nfs/dbraw/zinc/16/90/28/1028169028.db2.gz DMFXPYBWSFKQCD-UHFFFAOYSA-N -1 1 335.425 3.531 20 0 EHADMM CCOc1cc(C(=O)NCc2ccc(OC)cc2C)cc(Cl)c1[O-] ZINC000546556632 1028331825 /nfs/dbraw/zinc/33/18/25/1028331825.db2.gz AWFSUNSVCAITBA-UHFFFAOYSA-N -1 1 349.814 3.691 20 0 EHADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)o1 ZINC000066814868 1028342561 /nfs/dbraw/zinc/34/25/61/1028342561.db2.gz AKDISLOUODLCGB-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2nc(-c3cccs3)no2)n1 ZINC000026015851 1028747058 /nfs/dbraw/zinc/74/70/58/1028747058.db2.gz GIXQQGPLRRHEEO-SECBINFHSA-N -1 1 348.453 3.687 20 0 EHADMM CCCOc1ccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000583073594 1028750644 /nfs/dbraw/zinc/75/06/44/1028750644.db2.gz VUMOYUJHGQBIAX-UHFFFAOYSA-N -1 1 335.350 3.742 20 0 EHADMM CCOc1cc(-c2noc(-c3cccc(C)n3)n2)cc(Cl)c1[O-] ZINC000445401649 1028763289 /nfs/dbraw/zinc/76/32/89/1028763289.db2.gz KUKWDGMXTANAEN-UHFFFAOYSA-N -1 1 331.759 3.865 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H]3SCCc4ccccc43)n2)cc1F ZINC000445471948 1028813260 /nfs/dbraw/zinc/81/32/60/1028813260.db2.gz IWIOMRRCYUPIPB-OAHLLOKOSA-N -1 1 328.368 3.960 20 0 EHADMM Cc1ccc(-c2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)n[nH]2)cc1 ZINC000445472677 1028818070 /nfs/dbraw/zinc/81/80/70/1028818070.db2.gz LAOPGRJEWYMUIN-UHFFFAOYSA-N -1 1 336.326 3.947 20 0 EHADMM C[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)C(=O)c1cccc(F)c1 ZINC000445454444 1028820096 /nfs/dbraw/zinc/82/00/96/1028820096.db2.gz FWCOEUVNIYGYCV-JTQLQIEISA-N -1 1 344.317 3.782 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccn(-c4ccccc4F)n3)n2)c(F)c1 ZINC000445459865 1028829118 /nfs/dbraw/zinc/82/91/18/1028829118.db2.gz IQXPTKRWYKIJHE-UHFFFAOYSA-N -1 1 340.289 3.573 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3cc(Cl)cc4c3OCC4)n2)c(F)c1 ZINC000445461412 1028830776 /nfs/dbraw/zinc/83/07/76/1028830776.db2.gz GZMBSAHKLPXCOZ-UHFFFAOYSA-N -1 1 346.745 3.760 20 0 EHADMM [O-]c1ccc(-c2noc(C(F)(F)c3c(F)cccc3F)n2)c(F)c1 ZINC000445460286 1028831228 /nfs/dbraw/zinc/83/12/28/1028831228.db2.gz PRJPVHJPVLZUTK-UHFFFAOYSA-N -1 1 342.223 4.000 20 0 EHADMM Cc1ccnn1-c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445462911 1028831266 /nfs/dbraw/zinc/83/12/66/1028831266.db2.gz GIWXKJNLTMVCCF-UHFFFAOYSA-N -1 1 336.326 3.742 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3coc(-c4cccs4)n3)n2)cc1F ZINC000445477516 1028835276 /nfs/dbraw/zinc/83/52/76/1028835276.db2.gz BCMVIONPLBTKKO-UHFFFAOYSA-N -1 1 343.339 3.889 20 0 EHADMM CCOc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000445478602 1028838089 /nfs/dbraw/zinc/83/80/89/1028838089.db2.gz HNCYZYWMQLHQJK-UHFFFAOYSA-N -1 1 330.315 3.656 20 0 EHADMM COc1cccc2c1OCC(c1nc(-c3ccc([O-])c(F)c3)no1)=C2 ZINC000445486017 1028849765 /nfs/dbraw/zinc/84/97/65/1028849765.db2.gz HKDDYGXRZZRQCV-UHFFFAOYSA-N -1 1 340.310 3.523 20 0 EHADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153955282 1028964814 /nfs/dbraw/zinc/96/48/14/1028964814.db2.gz TYEOKECTCSRQBQ-JSGCOSHPSA-N -1 1 343.876 3.848 20 0 EHADMM CC(C)c1ccc(-c2noc(CN3CCC[C@H](CC(=O)[O-])C3)n2)cc1 ZINC000532881578 1028970077 /nfs/dbraw/zinc/97/00/77/1028970077.db2.gz NLNZITLOJPIHAB-CQSZACIVSA-N -1 1 343.427 3.547 20 0 EHADMM COc1cc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)cc(Cl)c1[O-] ZINC000445645143 1029007905 /nfs/dbraw/zinc/00/79/05/1029007905.db2.gz MGZWMYGRWZBZIE-UHFFFAOYSA-N -1 1 348.790 3.723 20 0 EHADMM Cc1cc(F)cc(Nc2cc(S(C)(=O)=O)ccc2[O-])c1Cl ZINC001214076389 1029099783 /nfs/dbraw/zinc/09/97/83/1029099783.db2.gz QPQYMKMHGAPLFA-UHFFFAOYSA-N -1 1 329.780 3.640 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)c1 ZINC000271740285 1029148446 /nfs/dbraw/zinc/14/84/46/1029148446.db2.gz QJDNGEXTKMKECP-UHFFFAOYSA-N -1 1 337.466 3.664 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[nH]nc1C(C)C ZINC000647279091 1029176070 /nfs/dbraw/zinc/17/60/70/1029176070.db2.gz LGSWURTVGRVWBZ-UHFFFAOYSA-N -1 1 348.255 3.949 20 0 EHADMM Cc1ccc(Nc2nc(CN(C[C@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000583209249 1029251439 /nfs/dbraw/zinc/25/14/39/1029251439.db2.gz JJJKIRGFSJZVTH-ZDUSSCGKSA-N -1 1 345.468 3.880 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@@]3(C)CC3(F)F)nc2)[n-]c(=O)c1C ZINC000664398921 1029266044 /nfs/dbraw/zinc/26/60/44/1029266044.db2.gz MFNGRFHKSLXVMB-INIZCTEOSA-N -1 1 334.370 3.708 20 0 EHADMM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000286675372 1029533378 /nfs/dbraw/zinc/53/33/78/1029533378.db2.gz FRJIMULRXUQNLM-WMLDXEAASA-N -1 1 327.424 3.701 20 0 EHADMM Cc1ccc(Nc2nc(CN3C[C@H](C)C[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000263110631 1029667377 /nfs/dbraw/zinc/66/73/77/1029667377.db2.gz BSDSXXDVMLSKHH-ZIAGYGMSSA-N -1 1 345.468 3.738 20 0 EHADMM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000525258843 1029772031 /nfs/dbraw/zinc/77/20/31/1029772031.db2.gz WGXGQEARYAUUQN-AWEZNQCLSA-N -1 1 348.402 3.954 20 0 EHADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000446795829 1029796028 /nfs/dbraw/zinc/79/60/28/1029796028.db2.gz XDBWTRDWDGRFHM-UHFFFAOYSA-N -1 1 342.823 3.939 20 0 EHADMM CCCCC[C@@H](C)CC(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000080092815 1029842971 /nfs/dbraw/zinc/84/29/71/1029842971.db2.gz OJKFCPMZWUJECF-CYBMUJFWSA-N -1 1 338.521 3.790 20 0 EHADMM O=C(NCc1ccncc1C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000555906910 1029899500 /nfs/dbraw/zinc/89/95/00/1029899500.db2.gz LTLCPAFWEUKDIR-UHFFFAOYSA-N -1 1 346.308 3.889 20 0 EHADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000525751881 1030099401 /nfs/dbraw/zinc/09/94/01/1030099401.db2.gz KOOQQVCPTUVAHH-UHFFFAOYSA-N -1 1 338.454 3.534 20 0 EHADMM C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278316687 1030145424 /nfs/dbraw/zinc/14/54/24/1030145424.db2.gz YOJPYTWRKJJNJQ-QMMMGPOBSA-N -1 1 339.779 3.681 20 0 EHADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(F)cc1[O-] ZINC000532012456 1030272359 /nfs/dbraw/zinc/27/23/59/1030272359.db2.gz BWHJLAYYMYFMPL-MRVPVSSYSA-N -1 1 327.714 3.730 20 0 EHADMM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc([O-])cc1F ZINC000447708979 1030443580 /nfs/dbraw/zinc/44/35/80/1030443580.db2.gz VAANRZAHSFKXDR-ZDUSSCGKSA-N -1 1 331.240 3.546 20 0 EHADMM CC(C)(C)c1noc2ncc(C(=O)Nc3ccc(F)cc3[O-])cc21 ZINC000532267208 1030514738 /nfs/dbraw/zinc/51/47/38/1030514738.db2.gz LDKDKRGTZUXFQN-UHFFFAOYSA-N -1 1 329.331 3.617 20 0 EHADMM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(F)cc3[O-])cc2)n1 ZINC000532267177 1030515503 /nfs/dbraw/zinc/51/55/03/1030515503.db2.gz PAQOETVOBMJCMO-UHFFFAOYSA-N -1 1 339.370 3.515 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000123256872 1031040644 /nfs/dbraw/zinc/04/06/44/1031040644.db2.gz SPJXUZTUCGYLTH-UHFFFAOYSA-N -1 1 337.206 3.899 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3sccc3s2)c1 ZINC000548813949 1031102872 /nfs/dbraw/zinc/10/28/72/1031102872.db2.gz JIRLWASAZVDJED-UHFFFAOYSA-N -1 1 333.390 3.707 20 0 EHADMM CCNc1cnc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)cn1 ZINC000448513236 1031158249 /nfs/dbraw/zinc/15/82/49/1031158249.db2.gz PPBUONLOYIYCFH-UHFFFAOYSA-N -1 1 343.390 3.891 20 0 EHADMM Cc1n[nH]c([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1C ZINC000151417428 1031413016 /nfs/dbraw/zinc/41/30/16/1031413016.db2.gz OPUKNUZBYMVBGD-UHFFFAOYSA-N -1 1 341.845 3.695 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1F ZINC000484571510 1031726830 /nfs/dbraw/zinc/72/68/30/1031726830.db2.gz UCOWLIXQFUFRFU-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM CC(C)(C)n1ccnc1SCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445452646 1031862327 /nfs/dbraw/zinc/86/23/27/1031862327.db2.gz FJWFDGKUGSQWPP-UHFFFAOYSA-N -1 1 348.403 3.825 20 0 EHADMM CCc1nocc1C(=O)[N-]c1nnc([C@@H](CC)c2ccccc2)s1 ZINC000668403170 1032043422 /nfs/dbraw/zinc/04/34/22/1032043422.db2.gz FYEWROSNELBNLG-LBPRGKRZSA-N -1 1 342.424 3.883 20 0 EHADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2ccccc2Br)c([O-])c1 ZINC000426443557 1032043709 /nfs/dbraw/zinc/04/37/09/1032043709.db2.gz PPRFPYYDQXLVGZ-NSHDSACASA-N -1 1 349.228 3.691 20 0 EHADMM O=C(NC[C@@H]1OCCc2ccccc21)c1cc2ccccc2cc1[O-] ZINC000603132137 1033379891 /nfs/dbraw/zinc/37/98/91/1033379891.db2.gz FIBHGFZWUCQYKJ-FQEVSTJZSA-N -1 1 333.387 3.589 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC001142548453 1033426310 /nfs/dbraw/zinc/42/63/10/1033426310.db2.gz QESPUHLXUGCHLA-HNNXBMFYSA-N -1 1 340.217 3.848 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(F)ccc1Cl ZINC000105389575 1033453469 /nfs/dbraw/zinc/45/34/69/1033453469.db2.gz NZCQXQCDROBWQH-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM O=C([O-])c1cccnc1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000608358198 1033633143 /nfs/dbraw/zinc/63/31/43/1033633143.db2.gz BTWNOXADLPIRKU-UHFFFAOYSA-N -1 1 345.830 3.510 20 0 EHADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000472351390 1033773552 /nfs/dbraw/zinc/77/35/52/1033773552.db2.gz WSKSRBSRBSFFOJ-UHFFFAOYSA-N -1 1 339.310 3.501 20 0 EHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000460427327 1033823111 /nfs/dbraw/zinc/82/31/11/1033823111.db2.gz LUYAGTGKOQZNMD-UHFFFAOYSA-N -1 1 329.425 3.661 20 0 EHADMM Cc1cccc([C@@H]2CCCN2C(=O)c2csc(=NC3CC3)[n-]2)c1C ZINC000476456409 1033870800 /nfs/dbraw/zinc/87/08/00/1033870800.db2.gz DDFKVKXSLOFLRQ-KRWDZBQOSA-N -1 1 341.480 3.733 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460454996 1034142840 /nfs/dbraw/zinc/14/28/40/1034142840.db2.gz NHYRNTTVNGJFPO-UHFFFAOYSA-N -1 1 331.437 3.988 20 0 EHADMM C[C@]1(CCC(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCC(=O)N1 ZINC000529540326 1034142791 /nfs/dbraw/zinc/14/27/91/1034142791.db2.gz YJADKNOCUHTCBA-SFHVURJKSA-N -1 1 346.814 3.586 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456293742 1034287660 /nfs/dbraw/zinc/28/76/60/1034287660.db2.gz PHHLQGMDGONGCJ-ZFWWWQNUSA-N -1 1 325.330 3.672 20 0 EHADMM Cc1cccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)c1Cl ZINC000534385413 1034460208 /nfs/dbraw/zinc/46/02/08/1034460208.db2.gz QHRPRWFUTBXUOQ-UHFFFAOYSA-N -1 1 347.752 3.991 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCS[C@@H](c2ccccc2)C1 ZINC000605110280 1034637860 /nfs/dbraw/zinc/63/78/60/1034637860.db2.gz VXTQCDSFCMIOFW-MRXNPFEDSA-N -1 1 333.840 3.976 20 0 EHADMM CC(C)c1cc(C(=O)Nc2ccc([O-])c(F)c2F)nn1C(C)(C)C ZINC000456779930 1034724537 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CCn1cc(CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C(C)C)cn1 ZINC000652507839 1042511558 /nfs/dbraw/zinc/51/15/58/1042511558.db2.gz OVHWJOVFHNXUQP-UHFFFAOYSA-N -1 1 335.835 3.665 20 0 EHADMM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C[C@@H]1CC1(C)C ZINC000663316815 1042671941 /nfs/dbraw/zinc/67/19/41/1042671941.db2.gz HNMXZRPSAVWBGR-AWEZNQCLSA-N -1 1 330.453 3.986 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)cc1 ZINC000008108807 1042763320 /nfs/dbraw/zinc/76/33/20/1042763320.db2.gz AIJZUWGANRHRNG-UHFFFAOYSA-N -1 1 338.860 3.769 20 0 EHADMM CC(=O)c1ncc(C(=O)[N-]c2csnc2-c2ccccc2)s1 ZINC001126305650 1043023030 /nfs/dbraw/zinc/02/30/30/1043023030.db2.gz AMCRYJIXUUJTSC-UHFFFAOYSA-N -1 1 329.406 3.722 20 0 EHADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000320209856 1044310591 /nfs/dbraw/zinc/31/05/91/1044310591.db2.gz PPMUCSSIAUOLRH-UHFFFAOYSA-N -1 1 333.306 3.661 20 0 EHADMM Cc1ccsc1CN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000338745332 1126836789 /nfs/dbraw/zinc/83/67/89/1126836789.db2.gz PJLSASICJSNEBI-UHFFFAOYSA-N -1 1 340.242 3.797 20 0 EHADMM NC(=O)c1cccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)c1 ZINC000623136333 1126883144 /nfs/dbraw/zinc/88/31/44/1126883144.db2.gz GCPQVOWBXAAJIN-UHFFFAOYSA-N -1 1 341.370 3.768 20 0 EHADMM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000623207634 1126896181 /nfs/dbraw/zinc/89/61/81/1126896181.db2.gz YQIBVHLZWAKMQR-OIBJUYFYSA-N -1 1 340.210 3.727 20 0 EHADMM CCc1noc(C)c1[N-]C(=O)c1cc(OC)c(Br)s1 ZINC000179560759 1127070886 /nfs/dbraw/zinc/07/08/86/1127070886.db2.gz HXPASFHIHXTGCP-UHFFFAOYSA-N -1 1 345.218 3.630 20 0 EHADMM Cc1nc([C@H]2CCCO2)sc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000350585184 1127088981 /nfs/dbraw/zinc/08/89/81/1127088981.db2.gz ATUWKIXLECCUIN-GFCCVEGCSA-N -1 1 347.371 3.865 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)c(Cl)c1 ZINC000350607832 1127091469 /nfs/dbraw/zinc/09/14/69/1127091469.db2.gz HWSHRQUYYQYTHQ-DZGCQCFKSA-N -1 1 343.770 3.736 20 0 EHADMM CCOc1cc(-c2noc([C@H]3CCC[C@H](O)C3)n2)cc(Cl)c1[O-] ZINC000350612000 1127092454 /nfs/dbraw/zinc/09/24/54/1127092454.db2.gz PLNBRVGFBQOITF-ONGXEEELSA-N -1 1 338.791 3.513 20 0 EHADMM CCOc1cc(-c2noc(-c3c[nH]c(=O)cc3C)n2)cc(Cl)c1[O-] ZINC000350769838 1127099835 /nfs/dbraw/zinc/09/98/35/1127099835.db2.gz BRIAWNXCCLOTJM-UHFFFAOYSA-N -1 1 347.758 3.570 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1Cl ZINC000179951587 1127103458 /nfs/dbraw/zinc/10/34/58/1127103458.db2.gz ASTDPTBKUDGUBJ-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1ccc(F)c(Cl)c1F ZINC000181177689 1127269231 /nfs/dbraw/zinc/26/92/31/1127269231.db2.gz OVNQTNWNOMGKTG-UHFFFAOYSA-N -1 1 325.674 3.660 20 0 EHADMM Cc1ccc(-c2n[nH]c(NC(=O)c3cc4c(cccc4F)s3)n2)o1 ZINC000764342727 1127482906 /nfs/dbraw/zinc/48/29/06/1127482906.db2.gz QMXDTAHUGSDDOP-UHFFFAOYSA-N -1 1 342.355 3.979 20 0 EHADMM O=C(c1ccccc1)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000023041529 1127693600 /nfs/dbraw/zinc/69/36/00/1127693600.db2.gz LGQNFRRDGNTRDM-UHFFFAOYSA-N -1 1 343.810 3.781 20 0 EHADMM O=C(Nc1cccc(F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043155534 1127912708 /nfs/dbraw/zinc/91/27/08/1127912708.db2.gz SIQAIPQWINAXKO-UHFFFAOYSA-N -1 1 342.370 3.658 20 0 EHADMM Cc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)sc2cccc(F)c12 ZINC000043997021 1127930105 /nfs/dbraw/zinc/93/01/05/1127930105.db2.gz SPXGRYIMKYXMGS-UHFFFAOYSA-N -1 1 344.293 3.738 20 0 EHADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072526428 1128300350 /nfs/dbraw/zinc/30/03/50/1128300350.db2.gz ZZZJRFHSQCQEPT-UHFFFAOYSA-N -1 1 347.296 3.551 20 0 EHADMM CCN(CCOc1ccccc1C)C(=O)c1cc(Cl)ccc1[O-] ZINC001626959718 1128377340 /nfs/dbraw/zinc/37/73/40/1128377340.db2.gz JWSRWRAOQUVBRN-UHFFFAOYSA-N -1 1 333.815 3.895 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1F ZINC000055637985 1128525981 /nfs/dbraw/zinc/52/59/81/1128525981.db2.gz IGCCHLHIKCGNBV-UHFFFAOYSA-N -1 1 349.305 3.675 20 0 EHADMM O=C(NCc1ccccc1N1CCCC1)c1cc(Cl)ccc1[O-] ZINC000108708768 1128659638 /nfs/dbraw/zinc/65/96/38/1128659638.db2.gz IRPIYOZAGYFENY-UHFFFAOYSA-N -1 1 330.815 3.576 20 0 EHADMM O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1c(F)ccc([O-])c1F ZINC001648841911 1120052859 /nfs/dbraw/zinc/05/28/59/1120052859.db2.gz NRSFGSKGBSURAP-UHFFFAOYSA-N -1 1 345.223 3.668 20 0 EHADMM Cc1ccc(-c2nc(CC(=O)Nc3cccc(F)c3[O-])cs2)o1 ZINC001648848074 1120053668 /nfs/dbraw/zinc/05/36/68/1120053668.db2.gz YVAUNIYSRDAYQM-UHFFFAOYSA-N -1 1 332.356 3.737 20 0 EHADMM CCc1ccc(C(=O)Nc2ccc3ccc(Cl)nc3n2)c([O-])c1 ZINC001648941885 1120240719 /nfs/dbraw/zinc/24/07/19/1120240719.db2.gz DLCZTUXNSRJVJE-UHFFFAOYSA-N -1 1 327.771 3.804 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1C ZINC000185333339 1120409180 /nfs/dbraw/zinc/40/91/80/1120409180.db2.gz JLQBYZDJDZJFTK-UHFFFAOYSA-N -1 1 337.466 3.835 20 0 EHADMM COC(=O)c1c[n-]c(SCc2csc(-c3ccc(F)cc3)n2)n1 ZINC000187587668 1120504230 /nfs/dbraw/zinc/50/42/30/1120504230.db2.gz JJJYPQZZVOPPIZ-UHFFFAOYSA-N -1 1 349.412 3.751 20 0 EHADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494469188 1120566482 /nfs/dbraw/zinc/56/64/82/1120566482.db2.gz KAUOICPOZMRYQZ-NWDGAFQWSA-N -1 1 334.416 3.610 20 0 EHADMM COC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC000192213743 1120725678 /nfs/dbraw/zinc/72/56/78/1120725678.db2.gz NTGRFKMIZCPXCC-UHFFFAOYSA-N -1 1 334.759 3.785 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1 ZINC000195449022 1120784687 /nfs/dbraw/zinc/78/46/87/1120784687.db2.gz ZQRDUHRZWFQKQY-UHFFFAOYSA-N -1 1 329.425 3.726 20 0 EHADMM CS[C@@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000227355351 1120877402 /nfs/dbraw/zinc/87/74/02/1120877402.db2.gz PHMURVKOMLEAHR-WDEREUQCSA-N -1 1 344.274 3.559 20 0 EHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Br)cc1 ZINC000229607079 1120969885 /nfs/dbraw/zinc/96/98/85/1120969885.db2.gz HQGRGRFOOOLCDG-VIFPVBQESA-N -1 1 338.176 3.785 20 0 EHADMM Cc1ccc(C=CS(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)cc1 ZINC000761840792 1120984370 /nfs/dbraw/zinc/98/43/70/1120984370.db2.gz ALNNKWPTKKTXTL-KTKRTIGZSA-N -1 1 333.457 3.719 20 0 EHADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc2c(c1)CCC2 ZINC000470450707 1121249102 /nfs/dbraw/zinc/24/91/02/1121249102.db2.gz AWRMQODNWYNAEP-UHFFFAOYSA-N -1 1 326.421 3.523 20 0 EHADMM CCCCCCOc1ccc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000917394501 1122591035 /nfs/dbraw/zinc/59/10/35/1122591035.db2.gz YWCAOKXPCNDFAR-RMKNXTFCSA-N -1 1 338.411 3.547 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccs1 ZINC000497775105 1122666859 /nfs/dbraw/zinc/66/68/59/1122666859.db2.gz JTTQGZNPTQWDLH-NSHDSACASA-N -1 1 335.372 3.595 20 0 EHADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1 ZINC000917753121 1122677106 /nfs/dbraw/zinc/67/71/06/1122677106.db2.gz DNXLYBCYYOFOFQ-ZRDIBKRKSA-N -1 1 332.425 3.590 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(N2CCCC2)c1 ZINC000129151382 1122748216 /nfs/dbraw/zinc/74/82/16/1122748216.db2.gz SPPOKXKZIZKYCR-ZDUSSCGKSA-N -1 1 328.387 3.623 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc(-c2ccccc2)nc1 ZINC000129646549 1122815510 /nfs/dbraw/zinc/81/55/10/1122815510.db2.gz JEUAQQJKOKOXQG-UHFFFAOYSA-N -1 1 325.755 3.755 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2cc(C(F)(F)F)ccc2F)no1 ZINC001212481050 1129086011 /nfs/dbraw/zinc/08/60/11/1129086011.db2.gz XTNHUZXUXKDGGY-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM O=C([O-])[C@]1(NCc2cc(Cl)ccc2F)CCc2c1cccc2F ZINC000556320789 1122925190 /nfs/dbraw/zinc/92/51/90/1122925190.db2.gz DISLIYNUCJWFEY-KRWDZBQOSA-N -1 1 337.753 3.634 20 0 EHADMM O=C([O-])[C@@]1(NCc2cccc(Cl)c2F)CCc2c1cccc2F ZINC000556323534 1122929366 /nfs/dbraw/zinc/92/93/66/1122929366.db2.gz VBFGGWREBBBIFR-QGZVFWFLSA-N -1 1 337.753 3.634 20 0 EHADMM CSc1nsc([N-]C(=O)c2cc(Cl)sc2Cl)n1 ZINC000131159668 1123054173 /nfs/dbraw/zinc/05/41/73/1123054173.db2.gz PGYFRNWIEWRTHE-UHFFFAOYSA-N -1 1 326.255 3.881 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000132773700 1123298747 /nfs/dbraw/zinc/29/87/47/1123298747.db2.gz NPZLBTSTFCKWNM-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM Cc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1F ZINC000132907264 1123315959 /nfs/dbraw/zinc/31/59/59/1123315959.db2.gz FKOKBGCSZQMAQM-UHFFFAOYSA-N -1 1 338.176 3.532 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(Cl)c(Cl)c1 ZINC000132912208 1123317230 /nfs/dbraw/zinc/31/72/30/1123317230.db2.gz INIGMYFSKWBXQF-UHFFFAOYSA-N -1 1 344.219 3.824 20 0 EHADMM CCC/C=C/C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000920462685 1123371473 /nfs/dbraw/zinc/37/14/73/1123371473.db2.gz HBHRMYGGAYONOW-WLRTZDKTSA-N -1 1 344.436 3.782 20 0 EHADMM O=C(NCCc1nc2ccccc2s1)c1c([O-])cccc1Cl ZINC000920429857 1123372540 /nfs/dbraw/zinc/37/25/40/1123372540.db2.gz HWCJTUAUDGCTET-UHFFFAOYSA-N -1 1 332.812 3.628 20 0 EHADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Br)c([O-])c1 ZINC000133473314 1123396930 /nfs/dbraw/zinc/39/69/30/1123396930.db2.gz QHAUGXYZZXVODY-GYSYKLTISA-N -1 1 338.245 3.948 20 0 EHADMM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000133895355 1123459516 /nfs/dbraw/zinc/45/95/16/1123459516.db2.gz AGFCDCDOEKTARF-UHFFFAOYSA-N -1 1 344.417 3.521 20 0 EHADMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1c([O-])cccc1F ZINC000133957909 1123474659 /nfs/dbraw/zinc/47/46/59/1123474659.db2.gz XYNYNBKBLMZPRE-SNVBAGLBSA-N -1 1 330.384 3.502 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCCCC2)c([O-])c1 ZINC000077612306 1123569343 /nfs/dbraw/zinc/56/93/43/1123569343.db2.gz AQMOXWJQDMNUHU-UHFFFAOYSA-N -1 1 334.416 3.755 20 0 EHADMM Cc1cc([C@H]2CN(C(=O)c3cc(Cl)ccc3[O-])CCO2)ccc1F ZINC000135268599 1123596569 /nfs/dbraw/zinc/59/65/69/1123596569.db2.gz AKGKMTVTRSWFFH-QGZVFWFLSA-N -1 1 349.789 3.707 20 0 EHADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2C)o1 ZINC000135403644 1123609488 /nfs/dbraw/zinc/60/94/88/1123609488.db2.gz IJCZKDWUGUIZII-UHFFFAOYSA-N -1 1 349.387 3.535 20 0 EHADMM CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000079055459 1123667153 /nfs/dbraw/zinc/66/71/53/1123667153.db2.gz UKJTWEFCWCHSJC-NSHDSACASA-N -1 1 326.234 3.807 20 0 EHADMM CC(C)c1ccc2nc(-c3ccc(Br)cn3)[n-]c(=O)c2c1 ZINC000079913430 1123730045 /nfs/dbraw/zinc/73/00/45/1123730045.db2.gz QZBFWLBAWWWIKB-UHFFFAOYSA-N -1 1 344.212 3.871 20 0 EHADMM CCN(CC(=O)Nc1cccc(OC)c1)Cc1cccc(Cl)c1[O-] ZINC000179564357 1123798641 /nfs/dbraw/zinc/79/86/41/1123798641.db2.gz YIYLPBHAAKJLRF-UHFFFAOYSA-N -1 1 348.830 3.515 20 0 EHADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328427 1123983733 /nfs/dbraw/zinc/98/37/33/1123983733.db2.gz LDRGLHHMFLSHPJ-RTBURBONSA-N -1 1 337.419 3.760 20 0 EHADMM O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc([O-])c1Cl ZINC000263532252 1124014921 /nfs/dbraw/zinc/01/49/21/1124014921.db2.gz XFWSBANTIVXKEF-OAHLLOKOSA-N -1 1 333.815 3.611 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000068768032 1124022421 /nfs/dbraw/zinc/02/24/21/1124022421.db2.gz YJZYHNRFZPEOCV-UHIISALHSA-N -1 1 330.211 3.671 20 0 EHADMM C[C@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)Cc2ccccc21 ZINC000735295072 1131328551 /nfs/dbraw/zinc/32/85/51/1131328551.db2.gz PFCMCZOZRBRZBE-ZDUSSCGKSA-N -1 1 337.452 3.579 20 0 EHADMM COc1cccc([C@]2(C)CCN(C(=O)c3cc(Cl)ccc3[O-])C2)c1 ZINC000618740274 1125177992 /nfs/dbraw/zinc/17/79/92/1125177992.db2.gz FSEXKXRQXGBAPG-LJQANCHMSA-N -1 1 345.826 3.858 20 0 EHADMM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CC1(Cl)Cl ZINC000182766589 1125363755 /nfs/dbraw/zinc/36/37/55/1125363755.db2.gz QRJJXKVXSGAODL-MLUIRONXSA-N -1 1 348.098 3.878 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc3c2CCC3)CC1 ZINC000619646492 1125377670 /nfs/dbraw/zinc/37/76/70/1125377670.db2.gz YEUXSJRIELZISN-UHFFFAOYSA-N -1 1 349.430 3.616 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c(C)c1C ZINC000673485745 1129460188 /nfs/dbraw/zinc/46/01/88/1129460188.db2.gz CGVHQVQCSZIGBW-UHFFFAOYSA-N -1 1 347.436 3.624 20 0 EHADMM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1sccc1F ZINC000338853560 1129524968 /nfs/dbraw/zinc/52/49/68/1129524968.db2.gz ZJBQITISKDWWMO-AWEZNQCLSA-N -1 1 337.397 3.548 20 0 EHADMM Cc1cccc2c1CCN2C(=O)c1cc(Br)ccc1[O-] ZINC000125811621 1129716972 /nfs/dbraw/zinc/71/69/72/1129716972.db2.gz JLWRKUMSAJQEET-UHFFFAOYSA-N -1 1 332.197 3.666 20 0 EHADMM Cc1cc(C)cc(CN(C)Cn2[n-]c(-c3ccccn3)nc2=S)c1 ZINC000766091518 1130260952 /nfs/dbraw/zinc/26/09/52/1130260952.db2.gz MLUYAMVXOQSBQL-UHFFFAOYSA-N -1 1 339.468 3.709 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1Cl ZINC000174052201 1130333039 /nfs/dbraw/zinc/33/30/39/1130333039.db2.gz CXSWCEPQBQWAJO-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c(Cl)cc1F ZINC000675434789 1130372438 /nfs/dbraw/zinc/37/24/38/1130372438.db2.gz CFNPYIMSURQPAG-UHFFFAOYSA-N -1 1 345.827 3.609 20 0 EHADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc([C@H](C)c2ccccc2)cc1 ZINC000732220411 1130898493 /nfs/dbraw/zinc/89/84/93/1130898493.db2.gz PVPOGRXLGBEVRR-CYBMUJFWSA-N -1 1 342.420 3.638 20 0 EHADMM CCOC(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000732306537 1130909066 /nfs/dbraw/zinc/90/90/66/1130909066.db2.gz CIJCAHNTMZNVMI-UHFFFAOYSA-N -1 1 334.759 3.866 20 0 EHADMM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cncc([O-])c1 ZINC000348009305 1131126635 /nfs/dbraw/zinc/12/66/35/1131126635.db2.gz XVACADWGSLMFNI-KRWDZBQOSA-N -1 1 328.412 3.703 20 0 EHADMM Cc1[nH]c2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2c1C ZINC000348076846 1131141607 /nfs/dbraw/zinc/14/16/07/1131141607.db2.gz KILCECYCVNZEED-UHFFFAOYSA-N -1 1 330.334 3.699 20 0 EHADMM CCO[C@@H](C)c1nc(COC(=O)c2c([O-])cc(F)cc2F)cs1 ZINC000736803952 1131436472 /nfs/dbraw/zinc/43/64/72/1131436472.db2.gz YLCQJUJHGMBASE-QMMMGPOBSA-N -1 1 343.351 3.581 20 0 EHADMM CC[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000738568834 1131478001 /nfs/dbraw/zinc/47/80/01/1131478001.db2.gz UVQNDCNEEHDJIE-AWEZNQCLSA-N -1 1 347.436 3.751 20 0 EHADMM CSc1nsc([N-]C(=O)c2nc(-c3cccs3)oc2C)n1 ZINC000740744932 1131541326 /nfs/dbraw/zinc/54/13/26/1131541326.db2.gz BVDIOABTGXEYTG-UHFFFAOYSA-N -1 1 338.439 3.537 20 0 EHADMM O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc2ccccc2c1[O-] ZINC000740929446 1131556906 /nfs/dbraw/zinc/55/69/06/1131556906.db2.gz GUAYVZPQNFTHCE-QGZVFWFLSA-N -1 1 341.794 3.662 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000743253182 1131883001 /nfs/dbraw/zinc/88/30/01/1131883001.db2.gz KGTTXHVFFMIOED-UHFFFAOYSA-N -1 1 330.384 3.726 20 0 EHADMM Cc1cccc2c(CCNC(=O)c3c([O-])cccc3Cl)c[nH]c21 ZINC000743548255 1131938903 /nfs/dbraw/zinc/93/89/03/1131938903.db2.gz JHSQTSVNUKULTR-UHFFFAOYSA-N -1 1 328.799 3.808 20 0 EHADMM Cc1cc(Br)cc(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721271 1132055213 /nfs/dbraw/zinc/05/52/13/1132055213.db2.gz HJEJILNUGLUJGG-UHFFFAOYSA-N -1 1 332.157 3.575 20 0 EHADMM Cc1nocc1Nc1cc(Br)c([O-])c(Br)c1 ZINC001212722177 1132060857 /nfs/dbraw/zinc/06/08/57/1132060857.db2.gz PWLDILKNYWIMHA-UHFFFAOYSA-N -1 1 347.994 3.957 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccccc2C(F)(F)F)c1 ZINC001173844425 1132153261 /nfs/dbraw/zinc/15/32/61/1132153261.db2.gz WKXQMHOPXYNCGF-UHFFFAOYSA-N -1 1 345.342 3.948 20 0 EHADMM Cc1sccc1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001174462176 1132376667 /nfs/dbraw/zinc/37/66/67/1132376667.db2.gz RUZAMMDDTOBAMR-UHFFFAOYSA-N -1 1 337.253 3.746 20 0 EHADMM CCOc1cc(C(=O)N2CCc3c2cccc3C)cc(Cl)c1[O-] ZINC000186717186 1132425078 /nfs/dbraw/zinc/42/50/78/1132425078.db2.gz XDGYVQVRJRLFMI-UHFFFAOYSA-N -1 1 331.799 3.956 20 0 EHADMM Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1OCCCCCO ZINC001175322855 1132638938 /nfs/dbraw/zinc/63/89/38/1132638938.db2.gz WQZJZQJSCRGBOU-UHFFFAOYSA-N -1 1 347.386 3.633 20 0 EHADMM CSc1nc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc(=O)[n-]1 ZINC001175548240 1132691598 /nfs/dbraw/zinc/69/15/98/1132691598.db2.gz GNAHFHIVZIZJJB-UHFFFAOYSA-N -1 1 348.428 3.995 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(-c3ccccc3)nc2)c1 ZINC001175834153 1132772094 /nfs/dbraw/zinc/77/20/94/1132772094.db2.gz UWAJGSXLEULCTB-UHFFFAOYSA-N -1 1 340.404 3.601 20 0 EHADMM CCN(CC)C(=O)c1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001176069633 1132827548 /nfs/dbraw/zinc/82/75/48/1132827548.db2.gz NYRBZNZMPQUBTD-UHFFFAOYSA-N -1 1 337.782 3.805 20 0 EHADMM CN(C)C(=O)c1cc(Nc2c([O-])cc(F)cc2F)ccc1Cl ZINC001176151293 1132845862 /nfs/dbraw/zinc/84/58/62/1132845862.db2.gz FUXZTGMZTMTDOY-UHFFFAOYSA-N -1 1 326.730 3.769 20 0 EHADMM CCc1c(Cl)cc(Nc2cnc(N(C)C)nc2)c([O-])c1Cl ZINC001176334050 1132901432 /nfs/dbraw/zinc/90/14/32/1132901432.db2.gz SDTZKRRUZGICNB-UHFFFAOYSA-N -1 1 327.215 3.861 20 0 EHADMM O=S(=O)([N-]c1ccccc1Cl)c1c(Cl)ccnc1Cl ZINC000766891885 1132911151 /nfs/dbraw/zinc/91/11/51/1132911151.db2.gz MNXXXKWRXKZLPQ-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000773574820 1132920554 /nfs/dbraw/zinc/92/05/54/1132920554.db2.gz HLRLFJHROAJODN-ABROSTTOSA-N -1 1 346.398 3.862 20 0 EHADMM O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc([O-])cc1F ZINC000773572881 1132922549 /nfs/dbraw/zinc/92/25/49/1132922549.db2.gz YWGZKHAJHGFYQX-UHFFFAOYSA-N -1 1 349.264 3.822 20 0 EHADMM COC(=O)c1c(F)cc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176670658 1132978322 /nfs/dbraw/zinc/97/83/22/1132978322.db2.gz JQVKPRYFNXUKTH-UHFFFAOYSA-N -1 1 333.212 3.618 20 0 EHADMM COc1ccc(-c2cc(Nc3c(F)cc(F)c([O-])c3F)n(C)n2)cc1 ZINC001176663955 1132978444 /nfs/dbraw/zinc/97/84/44/1132978444.db2.gz PJTGUGRWUQCTMR-UHFFFAOYSA-N -1 1 349.312 3.962 20 0 EHADMM CC(C)(C)c1cc2ncc(Nc3c(F)cc(F)c([O-])c3F)cn2n1 ZINC001176664329 1132978547 /nfs/dbraw/zinc/97/85/47/1132978547.db2.gz UYMXVVZCBXLKQF-UHFFFAOYSA-N -1 1 336.317 3.893 20 0 EHADMM COC(=O)c1c(F)ccc(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176672431 1132979314 /nfs/dbraw/zinc/97/93/14/1132979314.db2.gz KSMWGQYBCNWQPA-UHFFFAOYSA-N -1 1 333.212 3.618 20 0 EHADMM CCN(CCO)c1ccc(Nc2c(F)cc(F)c([O-])c2F)c(C)c1 ZINC001176673088 1132979570 /nfs/dbraw/zinc/97/95/70/1132979570.db2.gz PGCDQIGWWVARCL-UHFFFAOYSA-N -1 1 340.345 3.680 20 0 EHADMM CN(c1c(N)cccc1Br)c1c(F)cc(F)c([O-])c1F ZINC001176671181 1132979819 /nfs/dbraw/zinc/97/98/19/1132979819.db2.gz UHQOJILBYKFCOE-UHFFFAOYSA-N -1 1 347.134 3.922 20 0 EHADMM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000767960492 1133077539 /nfs/dbraw/zinc/07/75/39/1133077539.db2.gz PCKPSYQBCKHWNX-UHFFFAOYSA-N -1 1 331.343 3.694 20 0 EHADMM O=C(NCc1c[nH]c(=O)c2ccccc12)c1cc2ccccc2cc1[O-] ZINC001178115002 1133132484 /nfs/dbraw/zinc/13/24/84/1133132484.db2.gz IHYTYARSNGFECH-UHFFFAOYSA-N -1 1 344.370 3.729 20 0 EHADMM CC(C)c1nc2ccccn2c1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001178753070 1133195562 /nfs/dbraw/zinc/19/55/62/1133195562.db2.gz JJBITLIGIYEYLF-UHFFFAOYSA-N -1 1 343.814 3.998 20 0 EHADMM CCC[C@H](C(=O)NCCc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001178780869 1133202017 /nfs/dbraw/zinc/20/20/17/1133202017.db2.gz MZXJOTVGSVTTLC-HNNXBMFYSA-N -1 1 333.378 3.913 20 0 EHADMM COc1c(Cl)cccc1CNC(=O)c1c([O-])cccc1Cl ZINC001179423226 1133252559 /nfs/dbraw/zinc/25/25/59/1133252559.db2.gz QFQHMKBSTQKATB-UHFFFAOYSA-N -1 1 326.179 3.638 20 0 EHADMM COCCn1c2ccccc2nc1NCc1cccc([O-])c1Cl ZINC001179489187 1133254707 /nfs/dbraw/zinc/25/47/07/1133254707.db2.gz INHOLKPPQNQUCC-UHFFFAOYSA-N -1 1 331.803 3.654 20 0 EHADMM COc1ccc([C@H](NC(=O)c2cccc([O-])c2F)C2CCC2)cc1 ZINC001179762883 1133281933 /nfs/dbraw/zinc/28/19/33/1133281933.db2.gz RMEJYOGUHDFXFP-GOSISDBHSA-N -1 1 329.371 3.811 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000769765633 1133338697 /nfs/dbraw/zinc/33/86/97/1133338697.db2.gz DYLIEPUJZQARGD-CYBMUJFWSA-N -1 1 345.782 3.752 20 0 EHADMM O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1c([O-])cccc1Cl ZINC000769812754 1133351053 /nfs/dbraw/zinc/35/10/53/1133351053.db2.gz BQHGDWVTRKPRCH-UHFFFAOYSA-N -1 1 336.178 3.505 20 0 EHADMM COCC[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)c2ccccc21 ZINC001180927062 1133429361 /nfs/dbraw/zinc/42/93/61/1133429361.db2.gz QUMVQIGGDUBLMB-ZDUSSCGKSA-N -1 1 329.371 3.702 20 0 EHADMM O=C(Cc1cc2ccccc2o1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001181093700 1133450455 /nfs/dbraw/zinc/45/04/55/1133450455.db2.gz JSKBOHOLWQMCOW-UHFFFAOYSA-N -1 1 333.347 3.505 20 0 EHADMM Cc1cc(C)c(NC(=O)Nc2cccc(C(=O)N(C)C)c2[O-])c(C)c1 ZINC001181509058 1133495824 /nfs/dbraw/zinc/49/58/24/1133495824.db2.gz GUHQUCBCAAJZIB-UHFFFAOYSA-N -1 1 341.411 3.663 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000771412219 1133554419 /nfs/dbraw/zinc/55/44/19/1133554419.db2.gz FSMFPBSKYFYGNK-MRXNPFEDSA-N -1 1 344.432 3.862 20 0 EHADMM CCc1[nH]nc(NC(=O)c2cc(F)ccc2[O-])c1-c1cccs1 ZINC001181990973 1133559357 /nfs/dbraw/zinc/55/93/57/1133559357.db2.gz WIXUULINEMKRGJ-UHFFFAOYSA-N -1 1 331.372 3.798 20 0 EHADMM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000772473616 1133689858 /nfs/dbraw/zinc/68/98/58/1133689858.db2.gz ZCTPZBPCBUZXGR-KUHUBIRLSA-N -1 1 335.403 3.787 20 0 EHADMM COc1cc(C(=O)N(CCc2ccccc2)C2CC2)cc(Cl)c1[O-] ZINC000785559527 1133722452 /nfs/dbraw/zinc/72/24/52/1133722452.db2.gz LXMHKQMNHPYTLG-UHFFFAOYSA-N -1 1 345.826 3.902 20 0 EHADMM COc1cc(C(=O)N(C)CCc2ccccc2F)cc(Cl)c1[O-] ZINC000785587077 1133723095 /nfs/dbraw/zinc/72/30/95/1133723095.db2.gz XMRYZMZBSIILLB-UHFFFAOYSA-N -1 1 337.778 3.508 20 0 EHADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(-n2ccnc2)cc1 ZINC001183017822 1133760866 /nfs/dbraw/zinc/76/08/66/1133760866.db2.gz ANLWEBJLFAENDM-GFCCVEGCSA-N -1 1 341.798 3.722 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccsc1Br ZINC001183209596 1133782740 /nfs/dbraw/zinc/78/27/40/1133782740.db2.gz DMFJDKDBHQFIBU-UHFFFAOYSA-N -1 1 333.594 3.517 20 0 EHADMM [O-]c1ccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c(F)c1F ZINC001183346207 1133797695 /nfs/dbraw/zinc/79/76/95/1133797695.db2.gz VBMBYKAHNBNTBY-HNNXBMFYSA-N -1 1 346.377 3.596 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1C ZINC001185184844 1134045828 /nfs/dbraw/zinc/04/58/28/1134045828.db2.gz GLKBMMRQZIMHHA-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185186110 1134046088 /nfs/dbraw/zinc/04/60/88/1134046088.db2.gz SLSMZWNFOZOPDY-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185221309 1134053265 /nfs/dbraw/zinc/05/32/65/1134053265.db2.gz GOTNBTPNOIVTKB-UHFFFAOYSA-N -1 1 346.433 3.864 20 0 EHADMM O=S(=O)([N-]c1c(F)cccc1N1CCCCC1)c1ccsc1 ZINC001185392952 1134078089 /nfs/dbraw/zinc/07/80/89/1134078089.db2.gz ZPWRQAUCBNKUKI-UHFFFAOYSA-N -1 1 340.445 3.678 20 0 EHADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)ccnc2Cl)c1 ZINC000788205283 1134094243 /nfs/dbraw/zinc/09/42/43/1134094243.db2.gz IZJULDIYXDUWMR-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ncc2C)ccc1Cl ZINC001185496279 1134099372 /nfs/dbraw/zinc/09/93/72/1134099372.db2.gz JUSWBZDPJWFXOV-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)ccc1C ZINC001185525127 1134103317 /nfs/dbraw/zinc/10/33/17/1134103317.db2.gz RWBMTQPSMZHSBW-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(F)cc1Cl ZINC001185686931 1134119914 /nfs/dbraw/zinc/11/99/14/1134119914.db2.gz IRDZFSLFFWBGLC-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM Cc1cc(C)c(NC(=O)c2ccc([O-])cc2F)c(Br)n1 ZINC001186311533 1134199080 /nfs/dbraw/zinc/19/90/80/1134199080.db2.gz VZQPQVVPKRNHQR-UHFFFAOYSA-N -1 1 339.164 3.558 20 0 EHADMM O=S(=O)([N-]c1cc(O)ccc1Cl)c1cc2c(s1)CCCC2 ZINC001187215862 1134316670 /nfs/dbraw/zinc/31/66/70/1134316670.db2.gz YJRLYWQRYWDOCR-UHFFFAOYSA-N -1 1 343.857 3.787 20 0 EHADMM Cc1oncc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1Cl ZINC001187370843 1134328134 /nfs/dbraw/zinc/32/81/34/1134328134.db2.gz MNITXQMBDLIPSP-UHFFFAOYSA-N -1 1 328.821 3.735 20 0 EHADMM CSc1cc(NCc2ccc([O-])c(Cl)c2)nc(SC)n1 ZINC001187510033 1134339806 /nfs/dbraw/zinc/33/98/06/1134339806.db2.gz STCWJLNKFLVEQZ-UHFFFAOYSA-N -1 1 327.862 3.892 20 0 EHADMM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1nc(Cl)ccc1[O-] ZINC000789930216 1134346173 /nfs/dbraw/zinc/34/61/73/1134346173.db2.gz JHOLYLCZJIWEKZ-UHFFFAOYSA-N -1 1 336.178 3.757 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)CCc2cccc3ccccc32)n1 ZINC001187616812 1134356962 /nfs/dbraw/zinc/35/69/62/1134356962.db2.gz VBVNQJURBRTDKZ-UHFFFAOYSA-N -1 1 340.448 3.836 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2nc(Cl)cs2)c1 ZINC000790015421 1134360668 /nfs/dbraw/zinc/36/06/68/1134360668.db2.gz KLWAMOBYEKSYNY-UHFFFAOYSA-N -1 1 347.621 3.825 20 0 EHADMM Cc1ccc2[nH]cc(CCC(=O)Nc3nc(Cl)ccc3[O-])c2c1 ZINC000790056480 1134366290 /nfs/dbraw/zinc/36/62/90/1134366290.db2.gz MPQIVHLHHVVNPS-UHFFFAOYSA-N -1 1 329.787 3.802 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccn(-c2ccccc2Cl)n1 ZINC000790057312 1134366781 /nfs/dbraw/zinc/36/67/81/1134366781.db2.gz UOCZWKYLMOLYNZ-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC001187876675 1134397936 /nfs/dbraw/zinc/39/79/36/1134397936.db2.gz XUHAGITYKWUSLI-MNOVXSKESA-N -1 1 339.935 3.744 20 0 EHADMM CC(C)C[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188167506 1134435124 /nfs/dbraw/zinc/43/51/24/1134435124.db2.gz KPISFGIWXSXOMV-UHFFFAOYSA-N -1 1 344.864 3.713 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189346993 1134567166 /nfs/dbraw/zinc/56/71/66/1134567166.db2.gz FBYZUPAZGGUABB-UHFFFAOYSA-N -1 1 331.368 3.788 20 0 EHADMM Cc1ccnc(F)c1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189354482 1134580086 /nfs/dbraw/zinc/58/00/86/1134580086.db2.gz HBXWAKLZCMYGNO-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1csc2ncccc12 ZINC001189781513 1134626664 /nfs/dbraw/zinc/62/66/64/1134626664.db2.gz APTZOHIKVGKWCM-UHFFFAOYSA-N -1 1 340.376 3.516 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189948924 1134640477 /nfs/dbraw/zinc/64/04/77/1134640477.db2.gz SKESRKURFMVAPP-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2cc3scnc3c(C)c2)c(OC)c1 ZINC001190146249 1134660357 /nfs/dbraw/zinc/66/03/57/1134660357.db2.gz WJBQDGDYFHCPPF-UHFFFAOYSA-N -1 1 344.392 3.580 20 0 EHADMM O=c1cc(-c2ccccc2)nc(SCc2nccn2C(F)F)[n-]1 ZINC001190201386 1134671176 /nfs/dbraw/zinc/67/11/76/1134671176.db2.gz PFXPMGWKWIJVNJ-UHFFFAOYSA-N -1 1 334.351 3.733 20 0 EHADMM O=S(=O)([N-]CC1CCCCCC1)c1c(Cl)ccnc1Cl ZINC001190348048 1134687068 /nfs/dbraw/zinc/68/70/68/1134687068.db2.gz UXYXATTUBHHHIW-UHFFFAOYSA-N 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Cc1nc(-c2ccc(C)cc2)c(CC(=O)[N-]OC/C=C\Cl)s1 ZINC000794293766 1135037425 /nfs/dbraw/zinc/03/74/25/1135037425.db2.gz QGEDSVNLZOTTJQ-BAQGIRSFSA-N -1 1 336.844 3.770 20 0 EHADMM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1cc([O-])cc(F)c1F ZINC001192651963 1135040254 /nfs/dbraw/zinc/04/02/54/1135040254.db2.gz QYNLCCRYJPAUIX-UHFFFAOYSA-N -1 1 334.253 3.717 20 0 EHADMM O=C(Nc1ccc2ncnc(Cl)c2c1)c1cc([O-])cc(F)c1F ZINC001192671200 1135043430 /nfs/dbraw/zinc/04/34/30/1135043430.db2.gz WYTBSGXNJJZYLV-UHFFFAOYSA-N -1 1 335.697 3.519 20 0 EHADMM O=C([N-][C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)C(F)F ZINC000804579374 1135130051 /nfs/dbraw/zinc/13/00/51/1135130051.db2.gz LQKGJQJQVFWVCZ-VIFPVBQESA-N -1 1 341.572 3.961 20 0 EHADMM O=S(=O)(CC1CCC1)[N-]c1ccccc1OCc1ccccc1 ZINC001193514268 1135149020 /nfs/dbraw/zinc/14/90/20/1135149020.db2.gz QEKGZTXIIDDZAL-UHFFFAOYSA-N -1 1 331.437 3.807 20 0 EHADMM O=S(=O)([N-]c1ccccc1CO)c1ccc2c(Cl)cccc2c1 ZINC001194237172 1135248305 /nfs/dbraw/zinc/24/83/05/1135248305.db2.gz 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1135408706 /nfs/dbraw/zinc/40/87/06/1135408706.db2.gz XCEDHANMKSLLSA-UHFFFAOYSA-N -1 1 340.810 3.641 20 0 EHADMM O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1[O-])c1ccccc1 ZINC001195415676 1135420951 /nfs/dbraw/zinc/42/09/51/1135420951.db2.gz MQGPXHYNTGPNPL-UHFFFAOYSA-N -1 1 341.219 3.826 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)cc1Br ZINC001195486631 1135432232 /nfs/dbraw/zinc/43/22/32/1135432232.db2.gz ITROCXWQTUZBKU-UHFFFAOYSA-N -1 1 337.626 3.545 20 0 EHADMM [O-]c1cc(F)c(NC(=S)NCc2cccc(Cl)c2)c(F)c1 ZINC001195983607 1135496945 /nfs/dbraw/zinc/49/69/45/1135496945.db2.gz UQUNVRDFUBIRIY-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2Cl)c(F)c1 ZINC001196347039 1135549487 /nfs/dbraw/zinc/54/94/87/1135549487.db2.gz LZNPEJRUHMZDNP-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2F)c1 ZINC001196764890 1135603732 /nfs/dbraw/zinc/60/37/32/1135603732.db2.gz SJMVQZIFJJEHEG-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2csc(Cl)c2)c(C)c1 ZINC001196849379 1135619132 /nfs/dbraw/zinc/61/91/32/1135619132.db2.gz XMVTXGBHKUWRML-UHFFFAOYSA-N -1 1 331.846 3.828 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cncc(C(C)C)c2)c(C)c1 ZINC001196857391 1135623743 /nfs/dbraw/zinc/62/37/43/1135623743.db2.gz VTRHBILVKQVSEI-UHFFFAOYSA-N -1 1 334.441 3.631 20 0 EHADMM CCCOc1cccnc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001196936086 1135631539 /nfs/dbraw/zinc/63/15/39/1135631539.db2.gz MMIRSGOZBLLWMU-UHFFFAOYSA-N -1 1 340.301 3.847 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2c(Cl)ccnc2C(F)(F)F)o1 ZINC001197222110 1135660904 /nfs/dbraw/zinc/66/09/04/1135660904.db2.gz JGZCXLKEEMGGGV-UHFFFAOYSA-N -1 1 348.712 3.687 20 0 EHADMM CN(C)C(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1[O-] ZINC001197337610 1135681969 /nfs/dbraw/zinc/68/19/69/1135681969.db2.gz CVQFALXXPLWNSJ-UHFFFAOYSA-N -1 1 349.843 3.556 20 0 EHADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1csc2cnccc12 ZINC001197593537 1135711778 /nfs/dbraw/zinc/71/17/78/1135711778.db2.gz 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/nfs/dbraw/zinc/14/30/55/1136143055.db2.gz ICLJUKOUAMDWBN-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CCCC23CC3)c1 ZINC000850472526 1136265671 /nfs/dbraw/zinc/26/56/71/1136265671.db2.gz JECFHDVUICKBRZ-CQSZACIVSA-N -1 1 326.362 3.918 20 0 EHADMM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C[C@@H](O)c1cccc(Cl)c1 ZINC000851707759 1136400185 /nfs/dbraw/zinc/40/01/85/1136400185.db2.gz KAABZXGSSIUMEI-RCCFBDPRSA-N -1 1 345.826 3.664 20 0 EHADMM CC[C@@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)C[C@H](C)O1 ZINC000111168210 1136518238 /nfs/dbraw/zinc/51/82/38/1136518238.db2.gz WNKHFFMDPAVSEB-DZGCQCFKSA-N -1 1 338.521 3.520 20 0 EHADMM CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667318 1136569973 /nfs/dbraw/zinc/56/99/73/1136569973.db2.gz UGFDHCZVBACCOY-UHFFFAOYSA-N -1 1 346.814 3.780 20 0 EHADMM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccccc2F)C1)c1sccc1F ZINC000338976263 1136709158 /nfs/dbraw/zinc/70/91/58/1136709158.db2.gz MZAPIQBLLQAEFA-GHMZBOCLSA-N -1 1 343.420 3.641 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000816741035 1136751402 /nfs/dbraw/zinc/75/14/02/1136751402.db2.gz VWNRCEHWVDEOAQ-UHFFFAOYSA-N -1 1 344.374 3.891 20 0 EHADMM [O-]c1ccc(-c2nc(-c3cc(Cl)c4c(c3)OCCO4)no2)c(F)c1 ZINC000776872982 1136751983 /nfs/dbraw/zinc/75/19/83/1136751983.db2.gz GRXKSQOBZBQYPJ-UHFFFAOYSA-N -1 1 348.717 3.673 20 0 EHADMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000817487827 1136813346 /nfs/dbraw/zinc/81/33/46/1136813346.db2.gz CANSZOGVLURGBL-MRXNPFEDSA-N -1 1 341.798 3.630 20 0 EHADMM O=c1cc(CN[C@@H](C(F)F)C2CCCCC2)c2ccc([O-])cc2o1 ZINC000856823558 1136815897 /nfs/dbraw/zinc/81/58/97/1136815897.db2.gz MTBSJCSXUCGWQC-QGZVFWFLSA-N -1 1 337.366 3.802 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCCC[C@H]2c2cccn2C)c1 ZINC001136041166 1136842931 /nfs/dbraw/zinc/84/29/31/1136842931.db2.gz QYUNEHJYLJSRDV-SFHVURJKSA-N -1 1 340.423 3.609 20 0 EHADMM O=C(NCCCn1ccc2ccccc21)c1ncc2ccccc2c1[O-] ZINC001136105345 1136860878 /nfs/dbraw/zinc/86/08/78/1136860878.db2.gz QQIWBNMEASAHCJ-UHFFFAOYSA-N -1 1 345.402 3.715 20 0 EHADMM CCCO[N-]C(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000857544285 1136881961 /nfs/dbraw/zinc/88/19/61/1136881961.db2.gz OLWFHJDQOKWGRJ-AWEZNQCLSA-N -1 1 332.366 3.546 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC001136154540 1136888552 /nfs/dbraw/zinc/88/85/52/1136888552.db2.gz DHZAZAKVBVFNKY-UHFFFAOYSA-N -1 1 328.437 3.967 20 0 EHADMM O=C(Nc1ccccc1-n1cccn1)c1cc2ccccc2cc1[O-] ZINC001136191826 1136912483 /nfs/dbraw/zinc/91/24/83/1136912483.db2.gz CEJBKRKEQXCMTQ-UHFFFAOYSA-N -1 1 329.359 3.983 20 0 EHADMM C[C@H](CCc1ccccc1)NC(=O)c1ccc(Br)cc1[O-] ZINC000110325325 1136961785 /nfs/dbraw/zinc/96/17/85/1136961785.db2.gz OILXAHGYDUEGDL-GFCCVEGCSA-N -1 1 348.240 3.906 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)co1 ZINC000820055799 1136972690 /nfs/dbraw/zinc/97/26/90/1136972690.db2.gz NLFPTXJNSBRZFX-UHFFFAOYSA-N -1 1 345.790 3.663 20 0 EHADMM COC1(CNc2cc(Cl)[n-]c(=O)n2)CCC(c2ccccc2)CC1 ZINC000858544839 1136977887 /nfs/dbraw/zinc/97/78/87/1136977887.db2.gz ARDXEQQFBORPPM-UHFFFAOYSA-N -1 1 347.846 3.991 20 0 EHADMM COc1cccc(S([O-])=CC(=O)Oc2ccc(C3CCC3)cc2)c1 ZINC000820638953 1136999275 /nfs/dbraw/zinc/99/92/75/1136999275.db2.gz TZQZEWPAEIGJSF-DEOSSOPVSA-N -1 1 344.432 3.676 20 0 EHADMM CCCCOc1cc(C=Cc2ncc(OC)c(=O)[n-]2)ccc1OC ZINC000821007537 1137015620 /nfs/dbraw/zinc/01/56/20/1137015620.db2.gz IXAOULNIPNJKPF-CLFYSBASSA-N -1 1 330.384 3.549 20 0 EHADMM Cc1ccc(OCCNC(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC001136515030 1137044318 /nfs/dbraw/zinc/04/43/18/1137044318.db2.gz BOQPIRLBBIRXNU-UHFFFAOYSA-N -1 1 335.403 3.971 20 0 EHADMM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(F)c([O-])c1 ZINC001136543320 1137051595 /nfs/dbraw/zinc/05/15/95/1137051595.db2.gz MMEIUNFUTFVLDU-UHFFFAOYSA-N -1 1 349.789 3.620 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC001136603673 1137065967 /nfs/dbraw/zinc/06/59/67/1137065967.db2.gz HEVZQURFJCLXMW-CQSZACIVSA-N -1 1 345.782 3.752 20 0 EHADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001136612805 1137069152 /nfs/dbraw/zinc/06/91/52/1137069152.db2.gz XSNICVOOWFHXMZ-UHFFFAOYSA-N -1 1 339.395 3.534 20 0 EHADMM O=C(NCCc1cc2ccccc2o1)c1ccc2ccc(O)cc2c1[O-] ZINC001136864205 1137134597 /nfs/dbraw/zinc/13/45/97/1137134597.db2.gz HXLLQUDRJIXRSC-UHFFFAOYSA-N -1 1 347.370 3.970 20 0 EHADMM CCc1cnc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)o1 ZINC000843858135 1137184850 /nfs/dbraw/zinc/18/48/50/1137184850.db2.gz PSNOEQCSLWRHEJ-UHFFFAOYSA-N -1 1 349.164 3.952 20 0 EHADMM O=C(CCC(F)F)Nc1c([O-])cc(Br)cc1Cl ZINC000843887468 1137186692 /nfs/dbraw/zinc/18/66/92/1137186692.db2.gz WZHPKDOPQHZFPL-UHFFFAOYSA-N -1 1 328.540 3.792 20 0 EHADMM COC(=O)C[C@@H](C)N(Cc1ccccc1)Cc1c(F)cc([O-])cc1F ZINC001144561273 1137310024 /nfs/dbraw/zinc/31/00/24/1137310024.db2.gz DXOYCDAJKLWGBV-CYBMUJFWSA-N -1 1 349.377 3.624 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cccc2ccsc21 ZINC000846289959 1137345397 /nfs/dbraw/zinc/34/53/97/1137345397.db2.gz MJLGPZUNRPZBBF-UHFFFAOYSA-N -1 1 341.436 3.759 20 0 EHADMM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(F)c([O-])c1 ZINC001147821889 1137413264 /nfs/dbraw/zinc/41/32/64/1137413264.db2.gz JDZRARYQZFOVRB-CYBMUJFWSA-N -1 1 348.805 3.584 20 0 EHADMM Cc1cc(Br)c(CNC(=O)c2ccc(F)c([O-])c2)s1 ZINC001147844284 1137413682 /nfs/dbraw/zinc/41/36/82/1137413682.db2.gz BCKJDHIETXDICR-UHFFFAOYSA-N -1 1 344.205 3.594 20 0 EHADMM Cc1cc(Cl)nc(Cl)c1C(=O)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001147901411 1137415084 /nfs/dbraw/zinc/41/50/84/1137415084.db2.gz XBBDGFOBJJIDQS-UHFFFAOYSA-N -1 1 337.166 3.531 20 0 EHADMM COc1ccc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)cn1 ZINC001148251719 1137420764 /nfs/dbraw/zinc/42/07/64/1137420764.db2.gz ARJHQCKGKQDOGH-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM Cc1cc([C@H]2CCN(C(=O)c3ccc(F)c([O-])c3)C2)c(O)cc1Cl ZINC001148595153 1137429134 /nfs/dbraw/zinc/42/91/34/1137429134.db2.gz YGSBYENEUCASOL-LBPRGKRZSA-N -1 1 349.789 3.828 20 0 EHADMM O=C(NCCCc1ccncc1)c1cccc(-c2ccccc2)c1[O-] ZINC001148870065 1137436613 /nfs/dbraw/zinc/43/66/13/1137436613.db2.gz QFIAUEVDQPAAPW-UHFFFAOYSA-N -1 1 332.403 3.817 20 0 EHADMM O=C(Nc1ccn2ccnc2c1)c1cccc(-c2ccccc2)c1[O-] ZINC001148867516 1137436653 /nfs/dbraw/zinc/43/66/53/1137436653.db2.gz XGFMSBLZUAPCSE-UHFFFAOYSA-N -1 1 329.359 3.959 20 0 EHADMM COC(=O)CCCCCNC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148869319 1137436830 /nfs/dbraw/zinc/43/68/30/1137436830.db2.gz IAQVAMQEDDVSOP-UHFFFAOYSA-N -1 1 341.407 3.522 20 0 EHADMM O=C(NCCc1ccc(CO)cc1)c1cccc(-c2ccccc2)c1[O-] ZINC001148873335 1137437057 /nfs/dbraw/zinc/43/70/57/1137437057.db2.gz UKRWGGQACRKYOO-UHFFFAOYSA-N -1 1 347.414 3.524 20 0 EHADMM O=C(NCc1cn(CC2CC2)cn1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872051 1137437070 /nfs/dbraw/zinc/43/70/70/1137437070.db2.gz FOOCXNUTOGBRQN-UHFFFAOYSA-N -1 1 347.418 3.596 20 0 EHADMM COc1ccccc1[C@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001649159684 1137479339 /nfs/dbraw/zinc/47/93/39/1137479339.db2.gz NNYFHIKEKKSRJN-LBPRGKRZSA-N -1 1 337.375 3.751 20 0 EHADMM O=C(COc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1[O-] ZINC001171632925 1137500214 /nfs/dbraw/zinc/50/02/14/1137500214.db2.gz XNSWCBJZXAVXDX-UHFFFAOYSA-N -1 1 329.249 3.568 20 0 EHADMM Cc1[n-]n(-c2ccc(Br)cc2C(F)(F)F)c(=O)c1F ZINC000871951152 1137563628 /nfs/dbraw/zinc/56/36/28/1137563628.db2.gz KJFRIJHPZJPITR-VIFPVBQESA-N -1 1 339.086 3.529 20 0 EHADMM Cc1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1C(=O)[O-] ZINC000872158109 1137574171 /nfs/dbraw/zinc/57/41/71/1137574171.db2.gz ZZHLALRPVMUOBW-KXBFYZLASA-N -1 1 325.408 3.655 20 0 EHADMM CC1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC(F)(F)C1 ZINC000872668820 1137582692 /nfs/dbraw/zinc/58/26/92/1137582692.db2.gz CPMBDXGATPCHAM-UHFFFAOYSA-N -1 1 336.212 3.521 20 0 EHADMM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000872920523 1137586568 /nfs/dbraw/zinc/58/65/68/1137586568.db2.gz XEKPQHOCPGDENQ-UHFFFAOYSA-N -1 1 329.400 3.660 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000876392988 1137650546 /nfs/dbraw/zinc/65/05/46/1137650546.db2.gz GHSUEAHDZQNAGI-SNVBAGLBSA-N -1 1 336.741 3.530 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000876392987 1137650613 /nfs/dbraw/zinc/65/06/13/1137650613.db2.gz GHSUEAHDZQNAGI-JTQLQIEISA-N -1 1 336.741 3.530 20 0 EHADMM CC1(C)CN(C(=O)NCc2ccc([O-])c(Cl)c2)[C@H]1c1ccco1 ZINC000876398209 1137650877 /nfs/dbraw/zinc/65/08/77/1137650877.db2.gz DYOKLUMXQYQGMF-HNNXBMFYSA-N -1 1 334.803 3.931 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(c2ccc(C)cc2)C2CCC2)c1 ZINC000923650123 1137656340 /nfs/dbraw/zinc/65/63/40/1137656340.db2.gz LEOKJAHRVJBLQW-UHFFFAOYSA-N -1 1 338.407 3.858 20 0 EHADMM COc1ccc([C@@H]2CN(Cc3cccc([O-])c3Cl)CCO2)cc1 ZINC000877756133 1137688236 /nfs/dbraw/zinc/68/82/36/1137688236.db2.gz RAYVCWLOJUMIHF-KRWDZBQOSA-N -1 1 333.815 3.628 20 0 EHADMM CN(CCCSC(C)(C)C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878443861 1137716105 /nfs/dbraw/zinc/71/61/05/1137716105.db2.gz UHPYFBZKKQEDAZ-UHFFFAOYSA-N -1 1 325.503 3.751 20 0 EHADMM [O-]C(=NO[C@H]1CCCCO1)Nc1ncc(-c2ccccc2F)s1 ZINC000888769146 1137743549 /nfs/dbraw/zinc/74/35/49/1137743549.db2.gz NHKORRSYIZLBOV-ZDUSSCGKSA-N -1 1 337.376 3.529 20 0 EHADMM O=C([N-]O[C@H]1CCCCO1)Nc1ncc(-c2ccccc2F)s1 ZINC000888769146 1137743550 /nfs/dbraw/zinc/74/35/50/1137743550.db2.gz NHKORRSYIZLBOV-ZDUSSCGKSA-N -1 1 337.376 3.529 20 0 EHADMM CCN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C)c1cccc(OC)c1 ZINC000103467036 1137876394 /nfs/dbraw/zinc/87/63/94/1137876394.db2.gz ZWBXZZSLKIZWCD-LBPRGKRZSA-N -1 1 343.452 3.576 20 0 EHADMM Cc1cnc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000332383568 1137942296 /nfs/dbraw/zinc/94/22/96/1137942296.db2.gz PCLNGZQQZVVUFD-UHFFFAOYSA-N -1 1 330.815 3.769 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2cc(-c3cccnc3)on2)s1 ZINC000045764686 1138040981 /nfs/dbraw/zinc/04/09/81/1138040981.db2.gz LNEOVOKKXVFANC-UHFFFAOYSA-N -1 1 343.412 3.573 20 0 EHADMM COc1ccccc1[C@@H](C)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886264770 1138062495 /nfs/dbraw/zinc/06/24/95/1138062495.db2.gz KZGMMVGZQYJRQM-LBPRGKRZSA-N -1 1 349.377 3.532 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000337796929 1138670188 /nfs/dbraw/zinc/67/01/88/1138670188.db2.gz DRRWYYQWMSNTOV-UHFFFAOYSA-N -1 1 346.433 3.864 20 0 EHADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137246510 1138873728 /nfs/dbraw/zinc/87/37/28/1138873728.db2.gz FKGCDLQJBVSIIE-HOTGVXAUSA-N -1 1 331.437 3.655 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1ccoc1)C1CC1 ZINC000889091730 1139166031 /nfs/dbraw/zinc/16/60/31/1139166031.db2.gz BJNPUXCDJNLLBK-UHFFFAOYSA-N -1 1 325.286 3.809 20 0 EHADMM COc1cccc(C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000175210971 1139472631 /nfs/dbraw/zinc/47/26/31/1139472631.db2.gz KJENUQIEYUWAGU-UHFFFAOYSA-N -1 1 329.371 3.560 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000180469069 1139837022 /nfs/dbraw/zinc/83/70/22/1139837022.db2.gz RGGJXMPUIVVMTI-GFCCVEGCSA-N -1 1 339.317 3.502 20 0 EHADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180776995 1139862398 /nfs/dbraw/zinc/86/23/98/1139862398.db2.gz SUOSWGIGNFFGEO-MRVPVSSYSA-N -1 1 342.317 3.549 20 0 EHADMM CCOc1cc(C(=O)N2CCC[C@H]2c2cccn2C)cc(Cl)c1[O-] ZINC000186435800 1140204252 /nfs/dbraw/zinc/20/42/52/1140204252.db2.gz PIEVHVNSPYYLLI-HNNXBMFYSA-N -1 1 348.830 3.760 20 0 EHADMM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000191189888 1140442799 /nfs/dbraw/zinc/44/27/99/1140442799.db2.gz ADCHFUXLXUPGII-JSGCOSHPSA-N -1 1 347.798 3.805 20 0 EHADMM CCCCCCC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000195023477 1140628234 /nfs/dbraw/zinc/62/82/34/1140628234.db2.gz WJEIKWNVPLTYKV-UHFFFAOYSA-N -1 1 338.473 3.696 20 0 EHADMM CCCCCCC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000195023477 1140628239 /nfs/dbraw/zinc/62/82/39/1140628239.db2.gz WJEIKWNVPLTYKV-UHFFFAOYSA-N -1 1 338.473 3.696 20 0 EHADMM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000096659819 1140754176 /nfs/dbraw/zinc/75/41/76/1140754176.db2.gz FTFRCOANYUELGD-UHFFFAOYSA-N -1 1 345.342 3.530 20 0 EHADMM CC(C)(C)c1nsc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)n1 ZINC000274456613 1141534002 /nfs/dbraw/zinc/53/40/02/1141534002.db2.gz RVMAQNJLGKAVGV-UHFFFAOYSA-N -1 1 346.387 3.882 20 0 EHADMM O=C(NCCSCc1cccc2ccccc21)c1cncc([O-])c1 ZINC000348888518 1141604240 /nfs/dbraw/zinc/60/42/40/1141604240.db2.gz DLZHFIOGAGNVIO-UHFFFAOYSA-N -1 1 338.432 3.604 20 0 EHADMM O=S(=O)([N-]c1ccccc1F)c1cc(Cl)sc1Cl ZINC000020627000 212157587 /nfs/dbraw/zinc/15/75/87/212157587.db2.gz BCBQWSNZIGYAPJ-UHFFFAOYSA-N -1 1 326.201 3.995 20 0 EHADMM Clc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000737576519 599253782 /nfs/dbraw/zinc/25/37/82/599253782.db2.gz YHJMVKOAZFQHJX-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM Clc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000737576519 599253783 /nfs/dbraw/zinc/25/37/83/599253783.db2.gz YHJMVKOAZFQHJX-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM CC(C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000820173595 607308692 /nfs/dbraw/zinc/30/86/92/607308692.db2.gz JAYOMPIIGPSUOG-UHFFFAOYSA-N -1 1 349.847 3.981 20 0 EHADMM Cc1cccc([C@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)c1C ZINC000822299940 607327621 /nfs/dbraw/zinc/32/76/21/607327621.db2.gz ZRWHSQSVUFBJHR-QGZVFWFLSA-N -1 1 334.427 3.610 20 0 EHADMM Cc1cccc([C@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)c1C ZINC000822299940 607327622 /nfs/dbraw/zinc/32/76/22/607327622.db2.gz ZRWHSQSVUFBJHR-QGZVFWFLSA-N -1 1 334.427 3.610 20 0 EHADMM O=C([O-])c1cccc(CNCc2ccccc2OCc2cccnc2)c1 ZINC000683175825 598194073 /nfs/dbraw/zinc/19/40/73/598194073.db2.gz APADOEDFDDSKMD-UHFFFAOYSA-N -1 1 348.402 3.649 20 0 EHADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@H]2C=CCCC2)n1 ZINC000737245312 598565654 /nfs/dbraw/zinc/56/56/54/598565654.db2.gz NDLPLFOAUDCNGH-VIFPVBQESA-N -1 1 341.362 3.790 20 0 EHADMM CC(C)(C)C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000735594356 599410216 /nfs/dbraw/zinc/41/02/16/599410216.db2.gz RIERVYIQXYIKEH-OAHLLOKOSA-N -1 1 340.406 3.990 20 0 EHADMM CC(C)(C)C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000735594356 599410219 /nfs/dbraw/zinc/41/02/19/599410219.db2.gz RIERVYIQXYIKEH-OAHLLOKOSA-N -1 1 340.406 3.990 20 0 EHADMM c1c2ccccc2oc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823801973 599481958 /nfs/dbraw/zinc/48/19/58/599481958.db2.gz DSLJRWUGPQTKMZ-UHFFFAOYSA-N -1 1 342.362 3.773 20 0 EHADMM c1c2ccccc2oc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823801973 599481959 /nfs/dbraw/zinc/48/19/59/599481959.db2.gz DSLJRWUGPQTKMZ-UHFFFAOYSA-N -1 1 342.362 3.773 20 0 EHADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC[C@]2(CC=CCC2)C1 ZINC000819718204 599557062 /nfs/dbraw/zinc/55/70/62/599557062.db2.gz ALMBNNFCCBUHBC-HXUWFJFHSA-N -1 1 346.438 3.742 20 0 EHADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC[C@]2(CC=CCC2)C1 ZINC000819718204 599557063 /nfs/dbraw/zinc/55/70/63/599557063.db2.gz ALMBNNFCCBUHBC-HXUWFJFHSA-N -1 1 346.438 3.742 20 0 EHADMM CC(C)(NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000736339732 599761283 /nfs/dbraw/zinc/76/12/83/599761283.db2.gz QSSLZDRVHFIBJE-UHFFFAOYSA-N -1 1 346.814 3.502 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1F)c1ccc(Br)cc1 ZINC000426807584 599791188 /nfs/dbraw/zinc/79/11/88/599791188.db2.gz OPNFWSHFFWEEBN-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000737085435 600006887 /nfs/dbraw/zinc/00/68/87/600006887.db2.gz KPKKPLDBPNMGRR-KRWDZBQOSA-N -1 1 344.386 3.546 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(CCOc1c(Cl)cccc1Cl)CC2 ZINC000405351956 600293789 /nfs/dbraw/zinc/29/37/89/600293789.db2.gz FAVCPKILUYSXGC-NSHDSACASA-N -1 1 344.238 3.559 20 0 EHADMM COc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737888431 600435459 /nfs/dbraw/zinc/43/54/59/600435459.db2.gz DRYWFUZZHIKLPW-HNNXBMFYSA-N -1 1 340.206 3.918 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc1Cl ZINC000324559364 600487085 /nfs/dbraw/zinc/48/70/85/600487085.db2.gz YDBMOXVSZCRSNT-UHFFFAOYSA-N -1 1 342.738 3.544 20 0 EHADMM CC(C)[C@H](c1ccccc1)N(C)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736389803 600540970 /nfs/dbraw/zinc/54/09/70/600540970.db2.gz DUQIXWQWEQVFFQ-MRXNPFEDSA-N -1 1 346.452 3.714 20 0 EHADMM Cc1[nH]c(C(=O)CN(C)[C@H](c2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738233366 600541834 /nfs/dbraw/zinc/54/18/34/600541834.db2.gz HXBYJJLOCVOYLU-IBGZPJMESA-N -1 1 342.439 3.842 20 0 EHADMM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccc2c(c1)CCC2 ZINC000737176845 600627184 /nfs/dbraw/zinc/62/71/84/600627184.db2.gz RKJZJHVCPXEXLP-UHFFFAOYSA-N -1 1 343.423 3.505 20 0 EHADMM CN(C[C@H]1CCCCO1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000652400262 600820338 /nfs/dbraw/zinc/82/03/38/600820338.db2.gz HINFLXPMWXKADU-RISCZKNCSA-N -1 1 332.227 3.620 20 0 EHADMM C[C@H](CN(Cc1ccccc1)Cn1cc(-c2ccccc2)cn1)C(=O)[O-] ZINC000736583029 601088572 /nfs/dbraw/zinc/08/85/72/601088572.db2.gz IWSULFLWYRPHAB-QGZVFWFLSA-N -1 1 349.434 3.731 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000817986048 601823744 /nfs/dbraw/zinc/82/37/44/601823744.db2.gz SGMLRZUSBJNGLW-KRWDZBQOSA-N -1 1 334.460 3.571 20 0 EHADMM O=C([O-])c1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)s1 ZINC000833315541 601948736 /nfs/dbraw/zinc/94/87/36/601948736.db2.gz ZCIPVPYHKVXDNZ-OAHLLOKOSA-N -1 1 349.427 3.767 20 0 EHADMM Fc1cc(-c2ccccc2)ccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826371546 607547706 /nfs/dbraw/zinc/54/77/06/607547706.db2.gz KMPDWDVSTJOIFU-UHFFFAOYSA-N -1 1 346.369 3.680 20 0 EHADMM Fc1cc(-c2ccccc2)ccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826371546 607547708 /nfs/dbraw/zinc/54/77/08/607547708.db2.gz KMPDWDVSTJOIFU-UHFFFAOYSA-N -1 1 346.369 3.680 20 0 EHADMM COc1cccc(C=C2CCN(Cc3occc3C(=O)[O-])CC2)c1 ZINC000832546206 602231515 /nfs/dbraw/zinc/23/15/15/602231515.db2.gz VQMDQGQMVCPXFH-UHFFFAOYSA-N -1 1 327.380 3.666 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737084593 602575776 /nfs/dbraw/zinc/57/57/76/602575776.db2.gz BFZWZJYDALBTSE-KRWDZBQOSA-N -1 1 341.411 3.798 20 0 EHADMM Cc1ccc(-c2nc(CNC[C@H](NC(=O)[O-])C(C)C)cs2)cc1 ZINC000740092631 602791724 /nfs/dbraw/zinc/79/17/24/602791724.db2.gz OBDPCQKRZHKBFG-HNNXBMFYSA-N -1 1 333.457 3.500 20 0 EHADMM Cc1ccc(CNCc2ccc(NC(=O)[O-])nc2)c(OCC2CC2)c1 ZINC000830325183 603569501 /nfs/dbraw/zinc/56/95/01/603569501.db2.gz YGKHCPOWOQBTQP-UHFFFAOYSA-N -1 1 341.411 3.559 20 0 EHADMM CCC(CC)(CNCc1csc(-c2ccsc2)n1)NC(=O)[O-] ZINC000826561103 603602965 /nfs/dbraw/zinc/60/29/65/603602965.db2.gz KPKNMUYYMCBDPR-UHFFFAOYSA-N -1 1 339.486 3.788 20 0 EHADMM Cc1ccc(-c2nc(CN(C)C3CCN(C(=O)[O-])CC3)cs2)cc1 ZINC000830156204 603986323 /nfs/dbraw/zinc/98/63/23/603986323.db2.gz WNRJKKTYVCZBBQ-UHFFFAOYSA-N -1 1 345.468 3.693 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])o1)c1cccc(OC(F)(F)F)c1 ZINC000827742018 604332399 /nfs/dbraw/zinc/33/23/99/604332399.db2.gz ZRTZRDGAUFKESO-VIFPVBQESA-N -1 1 329.274 3.727 20 0 EHADMM CC(C)(C)Oc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000833447309 604507045 /nfs/dbraw/zinc/50/70/45/604507045.db2.gz QZCVAANEZXBZFX-INIZCTEOSA-N -1 1 348.830 3.828 20 0 EHADMM CC1(C)C[C@@H](NCc2ccc(NC(=O)[O-])nc2)c2ccccc2O1 ZINC000825707935 604526022 /nfs/dbraw/zinc/52/60/22/604526022.db2.gz RZBGXVPQBLHEJA-CQSZACIVSA-N -1 1 327.384 3.564 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000135029457 604927390 /nfs/dbraw/zinc/92/73/90/604927390.db2.gz QCFPOVOMFIFHRK-LLVKDONJSA-N -1 1 346.290 3.833 20 0 EHADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(F)c(Br)c1 ZINC000833739101 605136371 /nfs/dbraw/zinc/13/63/71/605136371.db2.gz GUTRQIBSYBISGT-MRVPVSSYSA-N -1 1 342.164 3.730 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000833680010 605171373 /nfs/dbraw/zinc/17/13/73/605171373.db2.gz ASXNAIRFCDHUNS-ZDUSSCGKSA-N -1 1 339.395 3.577 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000833812820 605601647 /nfs/dbraw/zinc/60/16/47/605601647.db2.gz LYDLECVHOFIFJM-HIFRSBDPSA-N -1 1 345.468 3.678 20 0 EHADMM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc3ccccc3n2)c2ccccc21 ZINC000834156764 605794569 /nfs/dbraw/zinc/79/45/69/605794569.db2.gz CKPRKBYBTRLQHY-RTBURBONSA-N -1 1 333.391 3.778 20 0 EHADMM O=C([O-])N[C@H]1C[C@@H](NC2(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000834156638 605806812 /nfs/dbraw/zinc/80/68/12/605806812.db2.gz CCSRJFFUDMOARM-DLBZAZTESA-N -1 1 326.371 3.858 20 0 EHADMM Clc1ccc2oc(C=Cc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC000822581393 606389126 /nfs/dbraw/zinc/38/91/26/606389126.db2.gz HCROMRADRVCUCS-UTCJRWHESA-N -1 1 329.772 3.893 20 0 EHADMM c1cc(-c2nc(-c3cccc4ccccc43)no2)sc1-c1nnn[n-]1 ZINC000823791319 606620720 /nfs/dbraw/zinc/62/07/20/606620720.db2.gz BBFIYYXFEQGAMZ-UHFFFAOYSA-N -1 1 346.375 3.798 20 0 EHADMM c1cc(-c2nc(-c3cccc4ccccc43)no2)sc1-c1nn[n-]n1 ZINC000823791319 606620722 /nfs/dbraw/zinc/62/07/22/606620722.db2.gz BBFIYYXFEQGAMZ-UHFFFAOYSA-N -1 1 346.375 3.798 20 0 EHADMM c1ccc2c(c1)cccc2[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826514673 607897576 /nfs/dbraw/zinc/89/75/76/607897576.db2.gz ZCYUSBISJVXZGR-GOSISDBHSA-N -1 1 342.406 3.756 20 0 EHADMM c1ccc2c(c1)cccc2[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826514673 607897577 /nfs/dbraw/zinc/89/75/77/607897577.db2.gz ZCYUSBISJVXZGR-GOSISDBHSA-N -1 1 342.406 3.756 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)c(-c2nnn[n-]2)s1 ZINC000824130181 607930079 /nfs/dbraw/zinc/93/00/79/607930079.db2.gz IPQCAFGMRLIIDN-UHFFFAOYSA-N -1 1 345.403 3.617 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)c(-c2nn[n-]n2)s1 ZINC000824130181 607930080 /nfs/dbraw/zinc/93/00/80/607930080.db2.gz IPQCAFGMRLIIDN-UHFFFAOYSA-N -1 1 345.403 3.617 20 0 EHADMM c1ccc(C(Sc2ccc(-c3nnn[n-]3)nn2)c2ccccc2)cc1 ZINC000826520223 608390851 /nfs/dbraw/zinc/39/08/51/608390851.db2.gz CXCOPGMGTULIOF-UHFFFAOYSA-N -1 1 346.419 3.538 20 0 EHADMM c1ccc(C(Sc2ccc(-c3nn[n-]n3)nn2)c2ccccc2)cc1 ZINC000826520223 608390853 /nfs/dbraw/zinc/39/08/53/608390853.db2.gz CXCOPGMGTULIOF-UHFFFAOYSA-N -1 1 346.419 3.538 20 0 EHADMM CC(C)c1ccc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)C)cc1 ZINC000824347522 608391217 /nfs/dbraw/zinc/39/12/17/608391217.db2.gz BZCVLKWUHZATHG-QGZVFWFLSA-N -1 1 337.431 3.589 20 0 EHADMM CC(C)c1ccc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)C)cc1 ZINC000824347522 608391220 /nfs/dbraw/zinc/39/12/20/608391220.db2.gz BZCVLKWUHZATHG-QGZVFWFLSA-N -1 1 337.431 3.589 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000322248778 970863957 /nfs/dbraw/zinc/86/39/57/970863957.db2.gz MQMKARAOVXFIIG-UHFFFAOYSA-N -1 1 333.325 3.921 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000263122720 950277831 /nfs/dbraw/zinc/27/78/31/950277831.db2.gz CKJHCCKTVYLKAM-AAEUAGOBSA-N -1 1 334.416 3.634 20 0 EHADMM C[C@H]1CCN(Cc2ccc(Cl)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000565421944 953613674 /nfs/dbraw/zinc/61/36/74/953613674.db2.gz IWYRVKQCRRVHIN-GXSJLCMTSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@@H](Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)C1CC1 ZINC001594842347 954090162 /nfs/dbraw/zinc/09/01/62/954090162.db2.gz CPFFESYWWPCSMO-JTQLQIEISA-N -1 1 344.223 3.734 20 0 EHADMM O=C([O-])[C@H](Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)C1CC1 ZINC001594842348 954090195 /nfs/dbraw/zinc/09/01/95/954090195.db2.gz CPFFESYWWPCSMO-SNVBAGLBSA-N -1 1 344.223 3.734 20 0 EHADMM O=C([O-])CN(Cc1cc2cc(Br)ccc2o1)C1CCC1 ZINC000902044568 956628495 /nfs/dbraw/zinc/62/84/95/956628495.db2.gz DYQWAUKHJBHHBD-UHFFFAOYSA-N -1 1 338.201 3.634 20 0 EHADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000054069332 957520405 /nfs/dbraw/zinc/52/04/05/957520405.db2.gz GFYFQIGGVDFDIQ-SNVBAGLBSA-N -1 1 338.201 3.614 20 0 EHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)CC2(CCCCC2)O1 ZINC001327712431 961178697 /nfs/dbraw/zinc/17/86/97/961178697.db2.gz YTDICFOBFYSZDV-CZUORRHYSA-N -1 1 337.847 3.889 20 0 EHADMM O=C([O-])[C@H]1CN(C/C=C\c2ccc(F)cc2F)Cc2ccccc21 ZINC001574660787 962487105 /nfs/dbraw/zinc/48/71/05/962487105.db2.gz AVALEVZKKQETIC-IVZVJUQRSA-N -1 1 329.346 3.662 20 0 EHADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000263380855 962539703 /nfs/dbraw/zinc/53/97/03/962539703.db2.gz BPCXHDTZIGNIST-SNVBAGLBSA-N -1 1 327.302 3.870 20 0 EHADMM Cc1cc(Br)c(CN(C)C[C@@H](C)C(=O)[O-])cc1Cl ZINC000263523973 962704925 /nfs/dbraw/zinc/70/49/25/962704925.db2.gz SLKGHDZEKIBXSU-SECBINFHSA-N -1 1 334.641 3.563 20 0 EHADMM C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603290027 972542495 /nfs/dbraw/zinc/54/24/95/972542495.db2.gz ARILVJBWHPRSPK-RYUDHWBXSA-N -1 1 349.431 3.592 20 0 EHADMM CN(C[C@H]1CCCCO1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000570689684 974716482 /nfs/dbraw/zinc/71/64/82/974716482.db2.gz RSNOISYNTTUFFS-QMTHXVAHSA-N -1 1 332.227 3.620 20 0 EHADMM CSC1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000601965689 975013279 /nfs/dbraw/zinc/01/32/79/975013279.db2.gz XXRBNDJBUDNGFW-ZDUSSCGKSA-N -1 1 334.268 3.947 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000652495028 975556820 /nfs/dbraw/zinc/55/68/20/975556820.db2.gz IVEQZHXEJMFTLJ-CQSZACIVSA-N -1 1 330.453 3.887 20 0 EHADMM CCO[C@@H](C)c1nc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000652498689 975562515 /nfs/dbraw/zinc/56/25/15/975562515.db2.gz PUZRUCCRJIGCNG-QWHCGFSZSA-N -1 1 340.489 3.563 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)cc1F ZINC000656763008 975690479 /nfs/dbraw/zinc/69/04/79/975690479.db2.gz JTNBMUHLALEMMK-HNNXBMFYSA-N -1 1 333.359 3.771 20 0 EHADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1Cl ZINC000827718813 978964319 /nfs/dbraw/zinc/96/43/19/978964319.db2.gz YKNGRUDMBVDEOB-YMTOWFKASA-N -1 1 325.195 3.865 20 0 EHADMM COc1ccccc1[C@H]1CSCCCN1Cc1cc(C(=O)[O-])co1 ZINC000872167987 980069837 /nfs/dbraw/zinc/06/98/37/980069837.db2.gz MYCHGBLKRBDWBR-MRXNPFEDSA-N -1 1 347.436 3.667 20 0 EHADMM CC(C)COc1ccccc1CNCc1ccc(CC(=O)[O-])cc1 ZINC000901537234 980365391 /nfs/dbraw/zinc/36/53/91/980365391.db2.gz HISJCJBCSYPGGX-UHFFFAOYSA-N -1 1 327.424 3.638 20 0 EHADMM COc1ccc([C@@H](NCc2ccc(C)cc2OC)C(=O)[O-])cc1Cl ZINC000901849257 980574703 /nfs/dbraw/zinc/57/47/03/980574703.db2.gz QFOYZTYOYHFXRP-QGZVFWFLSA-N -1 1 349.814 3.581 20 0 EHADMM O=C([O-])C[C@H]1COCCN1Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC000902003318 980681562 /nfs/dbraw/zinc/68/15/62/980681562.db2.gz XGDFSYKENZICBY-SFHVURJKSA-N -1 1 345.826 3.683 20 0 EHADMM CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902270988 980810887 /nfs/dbraw/zinc/81/08/87/980810887.db2.gz XKFRPCPBXWIXEY-PKRAZPIQSA-N -1 1 349.814 3.897 20 0 EHADMM C[C@H](NCc1ccoc1C(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000902342160 980840953 /nfs/dbraw/zinc/84/09/53/980840953.db2.gz GINRFOQUOKSTHY-VIFPVBQESA-N -1 1 329.274 3.727 20 0 EHADMM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2c([O-])cccc2F)c(C)n1 ZINC000654966273 1014689254 /nfs/dbraw/zinc/68/92/54/1014689254.db2.gz QUTPXNCVAHYQTE-SNVBAGLBSA-N -1 1 331.391 3.633 20 0 EHADMM CCc1noc(C)c1CNCc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902457473 980896309 /nfs/dbraw/zinc/89/63/09/980896309.db2.gz PQKWYOJIPWYUOQ-UHFFFAOYSA-N -1 1 342.317 3.552 20 0 EHADMM CC1(C)Cc2nc(CN3CCC[C@@H]3CC(=O)[O-])sc2C(C)(C)C1 ZINC000903902011 981028797 /nfs/dbraw/zinc/02/87/97/981028797.db2.gz SOVXIAGJZZESPM-GFCCVEGCSA-N -1 1 336.501 3.832 20 0 EHADMM O=C([O-])c1cnc([C@H]2CCN(Cc3ccc(Cl)cc3F)C2)s1 ZINC000903928815 981048765 /nfs/dbraw/zinc/04/87/65/981048765.db2.gz YHCCZGUAMHDSTF-JTQLQIEISA-N -1 1 340.807 3.623 20 0 EHADMM CC(C)(NCc1ccc(C(=O)[O-])cn1)c1ccc(Br)cc1 ZINC000905718344 981121762 /nfs/dbraw/zinc/12/17/62/981121762.db2.gz HKTAJLPHGCVYFM-UHFFFAOYSA-N -1 1 349.228 3.567 20 0 EHADMM CSCC1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC000905739977 981133539 /nfs/dbraw/zinc/13/35/39/981133539.db2.gz XSSIGQDIRZAJBS-UHFFFAOYSA-N -1 1 347.402 3.979 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(Cl)c2F)cc1 ZINC000683171987 1014725168 /nfs/dbraw/zinc/72/51/68/1014725168.db2.gz RWZBRDCAMBQZEZ-OAHLLOKOSA-N -1 1 337.778 3.793 20 0 EHADMM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)ccc2F)cc1 ZINC000683172429 1014734292 /nfs/dbraw/zinc/73/42/92/1014734292.db2.gz ZWUFCJKCZKDERL-INIZCTEOSA-N -1 1 337.778 3.793 20 0 EHADMM CCN(C)[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000909512778 981519621 /nfs/dbraw/zinc/51/96/21/981519621.db2.gz JJEXGIDNSHDHPY-SFHVURJKSA-N -1 1 340.423 3.633 20 0 EHADMM CCC(C)(C)N(C)Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC001594804744 981903013 /nfs/dbraw/zinc/90/30/13/981903013.db2.gz 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ZINC001597148518 986912187 /nfs/dbraw/zinc/91/21/87/986912187.db2.gz CKESYJSLYKFDOD-GJZGRUSLSA-N -1 1 343.423 3.961 20 0 EHADMM CCOc1cccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2OC)c1 ZINC001597151285 986934699 /nfs/dbraw/zinc/93/46/99/986934699.db2.gz ZWKJXYLLXXKRKM-CYBMUJFWSA-N -1 1 329.396 3.643 20 0 EHADMM CCc1[nH]c(CN2CCC(c3cccc(F)c3F)CC2)cc1C(=O)[O-] ZINC001597385979 987600082 /nfs/dbraw/zinc/60/00/82/987600082.db2.gz ZTUSPQQMDQOVMM-UHFFFAOYSA-N -1 1 348.393 3.933 20 0 EHADMM CSCc1cc(F)ccc1CN[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001599802532 988201215 /nfs/dbraw/zinc/20/12/15/988201215.db2.gz QKUNXMQETLIGQG-NSHDSACASA-N -1 1 334.416 3.633 20 0 EHADMM CCc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)CCO2 ZINC001597569054 988329964 /nfs/dbraw/zinc/32/99/64/988329964.db2.gz OEVULPOMTRMQLU-KRWDZBQOSA-N -1 1 329.371 3.700 20 0 EHADMM CCc1noc(CC)c1CN[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001597748638 989133749 /nfs/dbraw/zinc/13/37/49/989133749.db2.gz NQMCXSPBPMMDST-QGZVFWFLSA-N -1 1 328.412 3.665 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](c1cccs1)C1(CO)CCC1 ZINC001597767412 989219981 /nfs/dbraw/zinc/21/99/81/989219981.db2.gz MEFWPXDLTHLMEG-MRXNPFEDSA-N -1 1 349.452 3.595 20 0 EHADMM CC(C)(/C=C\Cl)NCc1ccc(C(=O)[O-])cc1Br ZINC001590615128 990287322 /nfs/dbraw/zinc/28/73/22/990287322.db2.gz KEAGGLDFJJBMCO-WAYWQWQTSA-N -1 1 332.625 3.768 20 0 EHADMM COc1cccc2cc(C[N@@H+](C)Cc3cc(C(=O)[O-])c(C)o3)oc21 ZINC001599692803 991097218 /nfs/dbraw/zinc/09/72/18/991097218.db2.gz OUINPDZKZGFEII-UHFFFAOYSA-N -1 1 329.352 3.673 20 0 EHADMM COc1cccc2cc(CN(C)Cc3cc(C(=O)[O-])c(C)o3)oc21 ZINC001599692803 991097227 /nfs/dbraw/zinc/09/72/27/991097227.db2.gz OUINPDZKZGFEII-UHFFFAOYSA-N -1 1 329.352 3.673 20 0 EHADMM COc1ccsc1CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001599722392 991562124 /nfs/dbraw/zinc/56/21/24/991562124.db2.gz IKWULQULBORZQT-UHFFFAOYSA-N -1 1 341.379 3.512 20 0 EHADMM CC(C)CN(CCC(=O)[O-])C(=O)c1cc(Cl)c2ccccc2c1O ZINC001591324122 992298590 /nfs/dbraw/zinc/29/85/90/992298590.db2.gz CMKVKXRDPLEJEU-UHFFFAOYSA-N -1 1 349.814 3.772 20 0 EHADMM C[N@@H+](Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccc(Cl)cc1 ZINC001598518113 992643640 /nfs/dbraw/zinc/64/36/40/992643640.db2.gz QVEHYYHVAWIBKS-UHFFFAOYSA-N -1 1 332.831 3.808 20 0 EHADMM CN(Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccc(Cl)cc1 ZINC001598518113 992643644 /nfs/dbraw/zinc/64/36/44/992643644.db2.gz QVEHYYHVAWIBKS-UHFFFAOYSA-N -1 1 332.831 3.808 20 0 EHADMM C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(C(=O)[O-])o1 ZINC001593195815 994150601 /nfs/dbraw/zinc/15/06/01/994150601.db2.gz FZCJDCJLSQWKPE-RYUDHWBXSA-N -1 1 342.395 3.738 20 0 EHADMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccc(N2CCCC2=O)cc1 ZINC001593196675 994156989 /nfs/dbraw/zinc/15/69/89/994156989.db2.gz IETOSPWPUJPJCE-OLZOCXBDSA-N -1 1 342.395 3.516 20 0 EHADMM C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccccc1OCC(=O)[O-] ZINC001593208412 994225924 /nfs/dbraw/zinc/22/59/24/994225924.db2.gz BUFOWPCLDUZGSF-JLTOFOAXSA-N -1 1 340.423 3.737 20 0 EHADMM COc1ccc2oc(CN3CCc4cccc(C(=O)[O-])c4C3)cc2c1 ZINC001599637507 994310788 /nfs/dbraw/zinc/31/07/88/994310788.db2.gz LQZJXQJKGKEBKR-UHFFFAOYSA-N -1 1 337.375 3.698 20 0 EHADMM C[C@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cc(C(=O)[O-])co1 ZINC001593248235 994471242 /nfs/dbraw/zinc/47/12/42/994471242.db2.gz TXQWRGBBNDXZAK-ISVAXAHUSA-N -1 1 344.194 3.669 20 0 EHADMM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccccc1OC(F)F ZINC001593304305 994744986 /nfs/dbraw/zinc/74/49/86/994744986.db2.gz LBYHABYXKFLDOE-GFCCVEGCSA-N -1 1 335.350 3.766 20 0 EHADMM C[C@H](NCc1ccccc1N1CCCCC1)c1cncc(C(=O)[O-])c1 ZINC001593305668 994765783 /nfs/dbraw/zinc/76/57/83/994765783.db2.gz ZXPTWKIKPXFBHG-HNNXBMFYSA-N -1 1 339.439 3.621 20 0 EHADMM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccccc1Cl ZINC000180286776 1015897687 /nfs/dbraw/zinc/89/76/87/1015897687.db2.gz DVBRYJJPJLCSEH-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)c1nc(C(F)(F)F)cs1 ZINC000154953021 1015983999 /nfs/dbraw/zinc/98/39/99/1015983999.db2.gz IKFKSMKFWAFXQO-JTQLQIEISA-N -1 1 348.321 3.888 20 0 EHADMM C[C@H](Oc1ccccc1CN1CCC(CC(F)(F)F)CC1)C(=O)[O-] ZINC001593644430 995961357 /nfs/dbraw/zinc/96/13/57/995961357.db2.gz KIHZCWMTOVYOPS-LBPRGKRZSA-N -1 1 345.361 3.703 20 0 EHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001593726124 996287872 /nfs/dbraw/zinc/28/78/72/996287872.db2.gz ZVQHAEJJKRLEIS-LBPRGKRZSA-N -1 1 339.395 3.795 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc[nH]c1C1CC1 ZINC000339964947 1016079210 /nfs/dbraw/zinc/07/92/10/1016079210.db2.gz PEGFJSHDTLHFOI-UHFFFAOYSA-N -1 1 332.816 3.671 20 0 EHADMM CO[C@H]1CCCC[C@@H]1NCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001599325929 997663735 /nfs/dbraw/zinc/66/37/35/997663735.db2.gz UYBLWCSHTIUQBE-HOTGVXAUSA-N -1 1 346.452 3.556 20 0 EHADMM COc1ccc([C@@H](NCc2cncc(C(=O)[O-])c2)c2ccccc2)cc1 ZINC001599532949 997691088 /nfs/dbraw/zinc/69/10/88/997691088.db2.gz XWDZJYZHXYRFAR-FQEVSTJZSA-N -1 1 348.402 3.668 20 0 EHADMM COCCCCN(Cc1ccccc1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599223477 997713721 /nfs/dbraw/zinc/71/37/21/997713721.db2.gz LSWPAYWWYUQOMG-CQSZACIVSA-N -1 1 348.468 3.831 20 0 EHADMM COC(=O)c1cc(CN2CCC[C@H]2c2cccs2)cc(C(=O)[O-])c1 ZINC001598933229 997810695 /nfs/dbraw/zinc/81/06/95/997810695.db2.gz UJWHIFWYQNBCPD-HNNXBMFYSA-N -1 1 345.420 3.570 20 0 EHADMM CC1=C[C@@H](C)CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001594109387 998192036 /nfs/dbraw/zinc/19/20/36/998192036.db2.gz GDBTXAXDOUTMCN-GFCCVEGCSA-N -1 1 328.437 3.906 20 0 EHADMM COc1ccc(Cl)cc1CN[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001599577954 998477635 /nfs/dbraw/zinc/47/76/35/998477635.db2.gz KPSJRZCHUGWIKH-VIFPVBQESA-N -1 1 325.817 3.959 20 0 EHADMM CC1(C)CCCC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000231350582 1121029280 /nfs/dbraw/zinc/02/92/80/1121029280.db2.gz WBKINSMSPVQQJJ-CYBMUJFWSA-N -1 1 326.234 3.853 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000026547528 1016709057 /nfs/dbraw/zinc/70/90/57/1016709057.db2.gz RNFXWGFCQFPXPE-UHFFFAOYSA-N -1 1 331.437 3.513 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N(C)C[C@H](C)c3ccccc3)cnc2n1 ZINC000340250830 1016788270 /nfs/dbraw/zinc/78/82/70/1016788270.db2.gz OYWJVYRZZJVTJJ-ZDUSSCGKSA-N -1 1 335.407 3.520 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)C[C@H](C)c1ccccc1)c2=O ZINC000340250830 1016788284 /nfs/dbraw/zinc/78/82/84/1016788284.db2.gz OYWJVYRZZJVTJJ-ZDUSSCGKSA-N -1 1 335.407 3.520 20 0 EHADMM COc1cc(C(=O)NC2CCC(OC(C)C)CC2)cc(Cl)c1[O-] ZINC000135218533 1016891607 /nfs/dbraw/zinc/89/16/07/1016891607.db2.gz ASJSBVMLSFNHGV-UHFFFAOYSA-N -1 1 341.835 3.520 20 0 EHADMM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000180334981 1016898164 /nfs/dbraw/zinc/89/81/64/1016898164.db2.gz KWZMFNCOVSTBJG-JTQLQIEISA-N -1 1 330.384 3.974 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1Cc1ccccn1 ZINC000340328432 1016951226 /nfs/dbraw/zinc/95/12/26/1016951226.db2.gz GXFDHOQKWAUYBV-UHFFFAOYSA-N -1 1 339.370 3.645 20 0 EHADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000461224240 1032329298 /nfs/dbraw/zinc/32/92/98/1032329298.db2.gz ZUMCRUJTZRXKNT-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1Cl ZINC000184765918 1032330978 /nfs/dbraw/zinc/33/09/78/1032330978.db2.gz LIFRMGVXWHAGRV-UHFFFAOYSA-N -1 1 329.830 3.568 20 0 EHADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000084860501 1017106157 /nfs/dbraw/zinc/10/61/57/1017106157.db2.gz COZVDTPHXCHQAV-UHFFFAOYSA-N -1 1 331.362 3.765 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000324587729 1017222960 /nfs/dbraw/zinc/22/29/60/1017222960.db2.gz HWQLFJXCULABCF-CYBMUJFWSA-N -1 1 332.375 3.558 20 0 EHADMM Cc1ccc(OCCCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000683593517 1017569740 /nfs/dbraw/zinc/56/97/40/1017569740.db2.gz MLROHTCGLSSIEY-UHFFFAOYSA-N -1 1 328.343 3.901 20 0 EHADMM CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)cc1OC ZINC000574147433 1032711681 /nfs/dbraw/zinc/71/16/81/1032711681.db2.gz WPMUTDWABMYKDX-KGLIPLIRSA-N -1 1 345.443 3.700 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(C1)Oc1ccccc1O2 ZINC000377519822 1017941286 /nfs/dbraw/zinc/94/12/86/1017941286.db2.gz OBRSAXRHHKPPAS-UHFFFAOYSA-N -1 1 347.370 3.559 20 0 EHADMM CC(C)(C)C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000340610208 1018709399 /nfs/dbraw/zinc/70/93/99/1018709399.db2.gz XRVGLNUEMCYJSC-KRWDZBQOSA-N -1 1 349.434 3.830 20 0 EHADMM O=C([O-])[C@@H](c1ccsc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000580206133 1018788178 /nfs/dbraw/zinc/78/81/78/1018788178.db2.gz QXNVKELXPIHNGH-CZUORRHYSA-N -1 1 333.478 3.988 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000433503589 1019024208 /nfs/dbraw/zinc/02/42/08/1019024208.db2.gz VUVLCXNUDQARNW-UHFFFAOYSA-N -1 1 333.453 3.975 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1 ZINC000433509138 1019029433 /nfs/dbraw/zinc/02/94/33/1019029433.db2.gz JCYWBIISXMTJFP-UHFFFAOYSA-N -1 1 345.464 3.976 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000433523062 1019059250 /nfs/dbraw/zinc/05/92/50/1019059250.db2.gz ZDFWDISDKXCKIB-UHFFFAOYSA-N -1 1 327.352 3.651 20 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CC(C)Oc1ccc(NC(=O)c2c(F)ccc([O-])c2F)c(F)c1 ZINC000515074930 1024996942 /nfs/dbraw/zinc/99/69/42/1024996942.db2.gz LSDFPJHIGRRFPV-UHFFFAOYSA-N -1 1 325.286 3.849 20 0 EHADMM CC(C)Cn1ncc(-c2nc(-c3ccc([O-])cc3F)no2)c1C1CC1 ZINC000685365829 1033255157 /nfs/dbraw/zinc/25/51/57/1033255157.db2.gz NMJPNBKSKALRPK-UHFFFAOYSA-N -1 1 342.374 3.978 20 0 EHADMM CCO[C@H](C)c1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000346717844 1025057788 /nfs/dbraw/zinc/05/77/88/1025057788.db2.gz STBRWNARJJZHMT-SNVBAGLBSA-N -1 1 325.459 3.645 20 0 EHADMM Cc1cccc(NC(=S)N[N-]C(=O)c2cc3ccccc3s2)c1 ZINC000022888052 1025059534 /nfs/dbraw/zinc/05/95/34/1025059534.db2.gz OIFSABHHEMEHEA-UHFFFAOYSA-N -1 1 341.461 3.841 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(C)(C)O2 ZINC000436027275 1025310168 /nfs/dbraw/zinc/31/01/68/1025310168.db2.gz RCIDFDCENRBBMT-UHFFFAOYSA-N -1 1 349.477 3.923 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1 ZINC000436190030 1025441527 /nfs/dbraw/zinc/44/15/27/1025441527.db2.gz VQCGUBKDCRLNBG-UHFFFAOYSA-N -1 1 342.420 3.870 20 0 EHADMM COc1cc(C(=O)N2CC=C(c3ccccc3F)C2)cc(Cl)c1[O-] ZINC000442804025 1025496514 /nfs/dbraw/zinc/49/65/14/1025496514.db2.gz YCIWMZNLKKGVNK-UHFFFAOYSA-N -1 1 347.773 3.733 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)C)cc2)c(C)c1 ZINC000451098372 1025559042 /nfs/dbraw/zinc/55/90/42/1025559042.db2.gz SRKVWSYHDSNPAH-UHFFFAOYSA-N -1 1 347.436 3.643 20 0 EHADMM COc1cc(C(=O)NCCCOc2ccccc2C)cc(Cl)c1[O-] ZINC000442963419 1025624281 /nfs/dbraw/zinc/62/42/81/1025624281.db2.gz GVMWTSFXIFSAEZ-UHFFFAOYSA-N -1 1 349.814 3.562 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1sccc1Cl)c1cccs1 ZINC000451204536 1025675688 /nfs/dbraw/zinc/67/56/88/1025675688.db2.gz XDKGFHXBLGEZOV-UHFFFAOYSA-N -1 1 335.903 3.719 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000436509027 1025804990 /nfs/dbraw/zinc/80/49/90/1025804990.db2.gz QUHDIZYURCEQBN-KRWDZBQOSA-N -1 1 345.370 3.696 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2oc3c(cccc3C)c2C)c1 ZINC000436511428 1025807741 /nfs/dbraw/zinc/80/77/41/1025807741.db2.gz WBQUXRLXWNSGLR-UHFFFAOYSA-N -1 1 339.347 3.794 20 0 EHADMM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccccc1[O-] ZINC000436519340 1025816996 /nfs/dbraw/zinc/81/69/96/1025816996.db2.gz WNOLODCWFHQOSW-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000436595414 1025914841 /nfs/dbraw/zinc/91/48/41/1025914841.db2.gz MDRNKNUSNUCUBT-YJBOKZPZSA-N -1 1 327.424 3.607 20 0 EHADMM Cn1cc([C@@H](NC(=O)c2ccc3ccccc3c2[O-])C(C)(C)C)cn1 ZINC000436579788 1025919566 /nfs/dbraw/zinc/91/95/66/1025919566.db2.gz ZESVCALKMLRSGY-GOSISDBHSA-N -1 1 337.423 3.796 20 0 EHADMM O=S(=O)([N-][C@H]1CCCc2sccc21)c1sccc1Cl ZINC000451410832 1025921400 /nfs/dbraw/zinc/92/14/00/1025921400.db2.gz KXEIWRDMQTWIIT-JTQLQIEISA-N -1 1 333.887 3.819 20 0 EHADMM O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc2ccccc2c1[O-] ZINC000436580504 1025922498 /nfs/dbraw/zinc/92/24/98/1025922498.db2.gz BJPSQFOCQXQCRN-UHFFFAOYSA-N -1 1 344.370 3.729 20 0 EHADMM COc1ccc(C[C@H]2CCCN(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000436589717 1025929705 /nfs/dbraw/zinc/92/97/05/1025929705.db2.gz LEFOYDTULDYPOI-OAHLLOKOSA-N -1 1 343.398 3.635 20 0 EHADMM CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1OC ZINC000436602390 1025936970 /nfs/dbraw/zinc/93/69/70/1025936970.db2.gz LJQIJGUCJCJJLV-NSHDSACASA-N -1 1 349.814 3.944 20 0 EHADMM CC[C@H](C)n1ncc(NC(=O)c2ccc(OC)cc2[O-])c1C1CC1 ZINC000436606282 1025938261 /nfs/dbraw/zinc/93/82/61/1025938261.db2.gz QIPKMHAOCHAIRS-NSHDSACASA-N -1 1 329.400 3.698 20 0 EHADMM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436606146 1025939390 /nfs/dbraw/zinc/93/93/90/1025939390.db2.gz MEAGYOXLGBQTNG-GOSISDBHSA-N -1 1 333.790 3.989 20 0 EHADMM COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000436611493 1025943390 /nfs/dbraw/zinc/94/33/90/1025943390.db2.gz WLANCJDLXNWEAT-HNNXBMFYSA-N -1 1 343.398 3.635 20 0 EHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1cccc(F)c1 ZINC000436623076 1025971344 /nfs/dbraw/zinc/97/13/44/1025971344.db2.gz FSNCHMGLLXUFSD-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM Cc1ccc(-c2csc(NC(=O)C(=O)c3ccc([O-])cc3)n2)cc1 ZINC000436667196 1026004676 /nfs/dbraw/zinc/00/46/76/1026004676.db2.gz XAAUHXMMNJOACD-UHFFFAOYSA-N -1 1 338.388 3.646 20 0 EHADMM O=C(C(=O)N1CCC[C@H]1c1ccccc1Cl)c1ccc([O-])cc1 ZINC000436669596 1026008624 /nfs/dbraw/zinc/00/86/24/1026008624.db2.gz ANEAKFRFDPUSDC-INIZCTEOSA-N -1 1 329.783 3.592 20 0 EHADMM COc1cc(C(=O)NCc2ccc(Cl)s2)cc(Cl)c1[O-] ZINC000442865750 1026058691 /nfs/dbraw/zinc/05/86/91/1026058691.db2.gz GJUQNVNHPWDUAK-UHFFFAOYSA-N -1 1 332.208 3.699 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@](F)(c2ccccc2F)C1 ZINC000436703075 1026064346 /nfs/dbraw/zinc/06/43/46/1026064346.db2.gz KSLDKQOTESMJKX-KRWDZBQOSA-N -1 1 337.753 3.896 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc([O-])cc1F)[C@H]2C ZINC000436714959 1026082106 /nfs/dbraw/zinc/08/21/06/1026082106.db2.gz NRLKODAQOKYVQK-RYUDHWBXSA-N -1 1 329.371 3.688 20 0 EHADMM C[C@@H](CC(=O)[N-]OCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000909535980 1026092601 /nfs/dbraw/zinc/09/26/01/1026092601.db2.gz JUGFRVIXWOGWST-LBPRGKRZSA-N -1 1 338.329 3.842 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])[C@@H]2CCCC[C@H]21 ZINC000436737914 1026103820 /nfs/dbraw/zinc/10/38/20/1026103820.db2.gz KMEVTAUDXBWCPY-SCDSUCTJSA-N -1 1 338.245 3.805 20 0 EHADMM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])[nH]1 ZINC000436739230 1026107667 /nfs/dbraw/zinc/10/76/67/1026107667.db2.gz PMVZDQBNXVKXGK-RYUDHWBXSA-N -1 1 338.411 3.668 20 0 EHADMM CCN(C(=O)c1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000436752748 1026142651 /nfs/dbraw/zinc/14/26/51/1026142651.db2.gz BJSCIJNEKXFBIW-UHFFFAOYSA-N -1 1 338.176 3.961 20 0 EHADMM C[C@H]1[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCN1c1ccccc1 ZINC000582512884 1026460078 /nfs/dbraw/zinc/46/00/78/1026460078.db2.gz AUEJEWAQTODYRW-WFASDCNBSA-N -1 1 339.370 3.964 20 0 EHADMM O=S(=O)([N-]CCc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000531008310 1026480451 /nfs/dbraw/zinc/48/04/51/1026480451.db2.gz NOHJSGVACLRIJY-UHFFFAOYSA-N -1 1 335.812 3.607 20 0 EHADMM O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000452392857 1026707962 /nfs/dbraw/zinc/70/79/62/1026707962.db2.gz ASUBJWMQTMBSGK-ZIAGYGMSSA-N -1 1 331.362 3.984 20 0 EHADMM CC(C)C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccs1 ZINC000342748713 1026948907 /nfs/dbraw/zinc/94/89/07/1026948907.db2.gz XFMPVMMKCDRWLY-AWEZNQCLSA-N -1 1 341.436 3.502 20 0 EHADMM CC(C)(C)n1cc([N-]c2nn3cc(-c4cccnc4)nc3s2)cn1 ZINC000302064195 1027040904 /nfs/dbraw/zinc/04/09/04/1027040904.db2.gz CJIJGUOHXNFRFJ-UHFFFAOYSA-N -1 1 339.428 3.548 20 0 EHADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccs1 ZINC000444391992 1027438247 /nfs/dbraw/zinc/43/82/47/1027438247.db2.gz MQXYRMVQEAGROQ-UHFFFAOYSA-N -1 1 344.436 3.769 20 0 EHADMM Cc1nc(-c2ccc(N3CCC4(CCCC4)CC3)nc2)[n-]c(=O)c1C ZINC000078296140 1027637542 /nfs/dbraw/zinc/63/75/42/1027637542.db2.gz RTIJGVYPSKLKIM-UHFFFAOYSA-N -1 1 338.455 3.609 20 0 EHADMM COCc1csc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000657659110 1027892176 /nfs/dbraw/zinc/89/21/76/1027892176.db2.gz CVNLHIFHMUFHMB-UHFFFAOYSA-N -1 1 342.258 3.652 20 0 EHADMM CCN(CCOc1ccccc1C)Cc1nc(=O)c2sccc2[n-]1 ZINC000420979833 1027960143 /nfs/dbraw/zinc/96/01/43/1027960143.db2.gz ZZWWCBHYXKRQIK-UHFFFAOYSA-N -1 1 343.452 3.606 20 0 EHADMM CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccc([O-])cc1F ZINC000444488789 1027980966 /nfs/dbraw/zinc/98/09/66/1027980966.db2.gz IEXAGXXAAPFXMY-UHFFFAOYSA-N -1 1 329.371 3.868 20 0 EHADMM O=C(Cc1n[nH]c2ccccc21)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000503645836 1027996497 /nfs/dbraw/zinc/99/64/97/1027996497.db2.gz BWUNGSAQIJJXCM-UHFFFAOYSA-N -1 1 336.178 3.757 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1Cl ZINC000614840562 1028148891 /nfs/dbraw/zinc/14/88/91/1028148891.db2.gz LXBDANWNUUOSGY-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000153543818 1028150206 /nfs/dbraw/zinc/15/02/06/1028150206.db2.gz DGHWWXOMCLPQML-UHFFFAOYSA-N -1 1 336.313 3.611 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000153548652 1028155422 /nfs/dbraw/zinc/15/54/22/1028155422.db2.gz PEZSFQDFZCROJF-UHFFFAOYSA-N -1 1 336.313 3.611 20 0 EHADMM Oc1cccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1Br ZINC000459376909 1028344522 /nfs/dbraw/zinc/34/45/22/1028344522.db2.gz OFEFJZQALIWJLP-MRXNPFEDSA-N -1 1 340.261 3.547 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000533689734 1028350464 /nfs/dbraw/zinc/35/04/64/1028350464.db2.gz MOMAKJBUFFXJJB-UHFFFAOYSA-N -1 1 329.780 3.679 20 0 EHADMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cnc(C3CC3)o2)s1 ZINC000640248865 1028444434 /nfs/dbraw/zinc/44/44/34/1028444434.db2.gz LFFHJKIHOXLTGF-UHFFFAOYSA-N -1 1 344.371 3.770 20 0 EHADMM O=C(CCSc1ccccc1F)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000523869634 1028679214 /nfs/dbraw/zinc/67/92/14/1028679214.db2.gz PRNPOFOBFBLRBY-UHFFFAOYSA-N -1 1 347.440 3.820 20 0 EHADMM CCOc1cc(-c2noc(C3(CCOC)CC3)n2)cc(Cl)c1[O-] ZINC000445411887 1028758371 /nfs/dbraw/zinc/75/83/71/1028758371.db2.gz LISMOVAHTOSMJN-UHFFFAOYSA-N -1 1 338.791 3.562 20 0 EHADMM Cc1noc2nc(C)cc(-c3nc(-c4ccc([O-])cc4Cl)no3)c12 ZINC000445447453 1028806359 /nfs/dbraw/zinc/80/63/59/1028806359.db2.gz SCPVCJJJNIQJRT-UHFFFAOYSA-N -1 1 342.742 3.916 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3coc(-c4ccccc4)n3)n2)c(F)c1 ZINC000445453894 1028821995 /nfs/dbraw/zinc/82/19/95/1028821995.db2.gz CUOKNSLVXTXHNB-UHFFFAOYSA-N -1 1 337.310 3.827 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000245554607 1028823752 /nfs/dbraw/zinc/82/37/52/1028823752.db2.gz SJFBVDOUXPSGNY-JGPRNRPPSA-N -1 1 342.233 3.605 20 0 EHADMM COc1ccccc1SCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445461995 1028834859 /nfs/dbraw/zinc/83/48/59/1028834859.db2.gz ZDFZKHVQPMWIQU-UHFFFAOYSA-N -1 1 332.356 3.882 20 0 EHADMM CC[C@@H](C)Oc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccn1 ZINC000445483423 1028844585 /nfs/dbraw/zinc/84/45/85/1028844585.db2.gz VTNUPJRXBFYMMH-SNVBAGLBSA-N -1 1 329.331 3.821 20 0 EHADMM COc1cc(C(=O)NCC2(c3cccc(F)c3)CC2)cc(Cl)c1[O-] ZINC000153869168 1028846122 /nfs/dbraw/zinc/84/61/22/1028846122.db2.gz OARHMBPVOVIJNJ-UHFFFAOYSA-N -1 1 349.789 3.655 20 0 EHADMM C[C@H]1CCCN(Cc2ccc(Cl)cc2Br)[C@H]1C(=O)[O-] ZINC000424270405 1028942278 /nfs/dbraw/zinc/94/22/78/1028942278.db2.gz NIIKWRLQWCVQQH-TVQRCGJNSA-N -1 1 346.652 3.788 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000153963172 1028943911 /nfs/dbraw/zinc/94/39/11/1028943911.db2.gz HZICTNCXOUYULQ-UHFFFAOYSA-N -1 1 332.350 3.650 20 0 EHADMM Cc1ccc2c(Cc3noc(-c4ccc([O-])cc4F)n3)cn(C)c2c1 ZINC000445623806 1029000660 /nfs/dbraw/zinc/00/06/60/1029000660.db2.gz JSLQLEBNBGOQRI-UHFFFAOYSA-N -1 1 337.354 3.972 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)cc1F ZINC000445707757 1029069204 /nfs/dbraw/zinc/06/92/04/1029069204.db2.gz RTACBWWXWZTMQE-NSHDSACASA-N -1 1 345.333 3.529 20 0 EHADMM Cc1nc(-c2ccccc2)sc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000124351804 1029201628 /nfs/dbraw/zinc/20/16/28/1029201628.db2.gz QJELBPVTKGHRHW-ZDUSSCGKSA-N -1 1 333.413 3.698 20 0 EHADMM C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H](C)S1 ZINC000583209869 1029247202 /nfs/dbraw/zinc/24/72/02/1029247202.db2.gz VMEUOMBIPIWATP-RWEMILLDSA-N -1 1 334.268 3.945 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H](C)S1 ZINC000583209869 1029247216 /nfs/dbraw/zinc/24/72/16/1029247216.db2.gz VMEUOMBIPIWATP-RWEMILLDSA-N -1 1 334.268 3.945 20 0 EHADMM CC(C)n1c2ccccc2nc1[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000176771153 1029258758 /nfs/dbraw/zinc/25/87/58/1029258758.db2.gz PVNOCTFQRHSFRR-VIFPVBQESA-N -1 1 331.313 3.695 20 0 EHADMM CC(C)[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1cccnc1 ZINC000150840490 1029311187 /nfs/dbraw/zinc/31/11/87/1029311187.db2.gz PNXBHDFRGXIXTH-INIZCTEOSA-N -1 1 344.436 3.546 20 0 EHADMM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccccc1 ZINC000505300447 1029451229 /nfs/dbraw/zinc/45/12/29/1029451229.db2.gz UTRUTWMTQKWKRQ-UHFFFAOYSA-N -1 1 326.377 3.675 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000272503091 1029486376 /nfs/dbraw/zinc/48/63/76/1029486376.db2.gz VVUWTQMYRSJSSL-UHFFFAOYSA-N -1 1 330.453 3.520 20 0 EHADMM O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC000263537242 1029709022 /nfs/dbraw/zinc/70/90/22/1029709022.db2.gz ZZLNAJPZPBCLIG-XHDPSFHLSA-N -1 1 331.309 3.531 20 0 EHADMM CCc1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000446787139 1029800466 /nfs/dbraw/zinc/80/04/66/1029800466.db2.gz SNPYNBLYUVKTJF-UHFFFAOYSA-N -1 1 345.251 3.893 20 0 EHADMM CN(C)c1ccc2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc2n1 ZINC000343268492 1030015267 /nfs/dbraw/zinc/01/52/67/1030015267.db2.gz FNDZVYPIVXJSGS-UHFFFAOYSA-N -1 1 343.333 3.537 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000525700022 1030034262 /nfs/dbraw/zinc/03/42/62/1030034262.db2.gz WTGJCLVXMKDZKA-LLVKDONJSA-N -1 1 335.372 3.638 20 0 EHADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000481874245 1030081164 /nfs/dbraw/zinc/08/11/64/1030081164.db2.gz YMWWXWFNRZVIDK-UHFFFAOYSA-N -1 1 345.464 3.951 20 0 EHADMM COC(=O)C1CCC(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000278316626 1030141446 /nfs/dbraw/zinc/14/14/46/1030141446.db2.gz YMXPDKXQDGAAHO-UHFFFAOYSA-N -1 1 336.775 3.542 20 0 EHADMM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CC1)c1cc(F)ccc1F ZINC000482186148 1030244751 /nfs/dbraw/zinc/24/47/51/1030244751.db2.gz MENZLNQJQVAGQV-UHFFFAOYSA-N -1 1 343.782 3.586 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1 ZINC000533952422 1030269883 /nfs/dbraw/zinc/26/98/83/1030269883.db2.gz VHVLWONWGXPOIM-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM COc1cc(F)c([N-]C(=O)c2c(F)c(F)cc(F)c2F)cc1F ZINC000124949768 1030308884 /nfs/dbraw/zinc/30/88/84/1030308884.db2.gz IXTSUCXFZYZYEN-UHFFFAOYSA-N -1 1 335.203 3.782 20 0 EHADMM CSc1ccc(Cl)cc1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000092241133 1030413744 /nfs/dbraw/zinc/41/37/44/1030413744.db2.gz ANGWKSFEIVVVLG-UHFFFAOYSA-N -1 1 344.827 3.895 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447788487 1030489837 /nfs/dbraw/zinc/48/98/37/1030489837.db2.gz OWBLZGNCRHRVDQ-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM COc1cc(C(=O)N(C)c2ccc(F)c(F)c2)cc(Cl)c1[O-] ZINC000526942957 1030512899 /nfs/dbraw/zinc/51/28/99/1030512899.db2.gz ALQPARCOKXZDBC-UHFFFAOYSA-N -1 1 327.714 3.609 20 0 EHADMM C[C@]1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC=CCC1 ZINC001212125678 1030519203 /nfs/dbraw/zinc/51/92/03/1030519203.db2.gz CXMPZSYFKFNWRN-ZDUSSCGKSA-N -1 1 338.231 3.910 20 0 EHADMM CC(C)(CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1cccnc1 ZINC000666048550 1030907012 /nfs/dbraw/zinc/90/70/12/1030907012.db2.gz QEGZBDVHMOYJNJ-UHFFFAOYSA-N -1 1 338.329 3.514 20 0 EHADMM Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(C(F)F)c3)cc21 ZINC000780380530 1031516807 /nfs/dbraw/zinc/51/68/07/1031516807.db2.gz SQONRLRRHBNYHA-UHFFFAOYSA-N -1 1 336.363 3.917 20 0 EHADMM Cc1c(=O)[n-]c(SCOCC(F)(F)F)nc1-c1ccccc1 ZINC000278596419 1031577384 /nfs/dbraw/zinc/57/73/84/1031577384.db2.gz 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O=C(CCCC(F)(F)F)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450693547 1034697498 /nfs/dbraw/zinc/69/74/98/1034697498.db2.gz DXLLINVTGIXLSQ-UHFFFAOYSA-N -1 1 348.712 3.502 20 0 EHADMM O=C(CCCC(F)(F)F)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450693547 1034697505 /nfs/dbraw/zinc/69/75/05/1034697505.db2.gz DXLLINVTGIXLSQ-UHFFFAOYSA-N -1 1 348.712 3.502 20 0 EHADMM Cc1nc(CC(C)C)c(C(=O)Nc2ccc([O-])c(F)c2F)s1 ZINC000456762099 1034705679 /nfs/dbraw/zinc/70/56/79/1034705679.db2.gz AGDBKWLDTCOQKS-UHFFFAOYSA-N -1 1 326.368 3.886 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)cc1C ZINC000318335961 1034722494 /nfs/dbraw/zinc/72/24/94/1034722494.db2.gz YDOHIGPJUQRXLV-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCCOc2cccc(F)c2)[n-]1 ZINC000605446434 1034737972 /nfs/dbraw/zinc/73/79/72/1034737972.db2.gz BKENPGNRONOTFI-UHFFFAOYSA-N -1 1 334.294 3.511 20 0 EHADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1Cl ZINC000343819173 1034808756 /nfs/dbraw/zinc/80/87/56/1034808756.db2.gz 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3.535 20 0 EHADMM CCOc1cc(C(=O)NCCC2CC(F)(F)C2)cc(Cl)c1[O-] ZINC000457216690 1035858559 /nfs/dbraw/zinc/85/85/59/1035858559.db2.gz PSJODEDIPHYSID-UHFFFAOYSA-N -1 1 333.762 3.610 20 0 EHADMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1SC1CCCC1 ZINC000174376114 1035918181 /nfs/dbraw/zinc/91/81/81/1035918181.db2.gz ILCUKEKSYSCWNL-UHFFFAOYSA-N -1 1 343.514 3.888 20 0 EHADMM CCC[C@@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000032064881 1036011343 /nfs/dbraw/zinc/01/13/43/1036011343.db2.gz SVBCWTPFYFKUNR-CQSZACIVSA-N -1 1 346.500 3.953 20 0 EHADMM Cc1nc(-c2ccc(NCc3ccc(Cl)s3)nc2)[n-]c(=O)c1C ZINC000174678855 1036054875 /nfs/dbraw/zinc/05/48/75/1036054875.db2.gz BAXRPXUOSJWJGD-UHFFFAOYSA-N -1 1 346.843 3.776 20 0 EHADMM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccccc1 ZINC000174772173 1036083565 /nfs/dbraw/zinc/08/35/65/1036083565.db2.gz LKWSJQFKQDERAU-UHFFFAOYSA-N -1 1 326.377 3.675 20 0 EHADMM C[C@@H]1C[C@@H](CC(=O)NCc2n[n-]c(=S)n2C2CC2)CC(C)(C)C1 ZINC000066637476 1036099375 /nfs/dbraw/zinc/09/93/75/1036099375.db2.gz WMIHPWQVNKACEQ-NEPJUHHUSA-N -1 1 336.505 3.744 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cccc(F)c2Br)C1 ZINC000156969895 1036115483 /nfs/dbraw/zinc/11/54/83/1036115483.db2.gz AIFVKIBPNNQFSY-OAHLLOKOSA-N -1 1 344.224 3.665 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C ZINC000535344017 1036365961 /nfs/dbraw/zinc/36/59/61/1036365961.db2.gz IAVKKMDLYJKELW-UHFFFAOYSA-N -1 1 337.828 3.960 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H](c2ccccc2)CO1 ZINC000175435283 1036379855 /nfs/dbraw/zinc/37/98/55/1036379855.db2.gz QCZQFPGJTQZWJF-BLLLJJGKSA-N -1 1 331.799 3.648 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1 ZINC000589429937 1036423713 /nfs/dbraw/zinc/42/37/13/1036423713.db2.gz OBJFXEAUNMMWCJ-UHFFFAOYSA-N -1 1 347.436 3.817 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1nc(C(C)(C)C)no1 ZINC000175581825 1036442174 /nfs/dbraw/zinc/44/21/74/1036442174.db2.gz JHHOFCMNSYSKKR-NSHDSACASA-N -1 1 339.395 3.717 20 0 EHADMM Cc1ccc2nc(C)c(C(=O)N=c3cc(-c4cccs4)[n-][nH]3)cc2c1 ZINC000589690041 1036591550 /nfs/dbraw/zinc/59/15/50/1036591550.db2.gz GEFJCIKJGQPOKT-UHFFFAOYSA-N -1 1 348.431 3.977 20 0 EHADMM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2SC(C)C)n[nH]1 ZINC000888117495 1036630504 /nfs/dbraw/zinc/63/05/04/1036630504.db2.gz MGQGFHCRLAFKOD-UHFFFAOYSA-N -1 1 347.440 3.728 20 0 EHADMM O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)c1ccc([O-])cc1 ZINC000027101821 1036674473 /nfs/dbraw/zinc/67/44/73/1036674473.db2.gz FYWIXPMIKOZMDV-UHFFFAOYSA-N -1 1 328.368 3.896 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c(C)c1 ZINC000685912619 1036702857 /nfs/dbraw/zinc/70/28/57/1036702857.db2.gz MCOFIJVOPVVUDA-UHFFFAOYSA-N -1 1 343.448 3.932 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C[C@@H]1C ZINC000648490550 1036964344 /nfs/dbraw/zinc/96/43/44/1036964344.db2.gz LYKQWKSPFDWZQO-VKJFTORMSA-N -1 1 343.467 3.886 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc(Cl)c1[O-] ZINC000186714218 1036993559 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COc1ccc([C@@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000573808124 1037754010 /nfs/dbraw/zinc/75/40/10/1037754010.db2.gz GIICINPWUNWFQD-HNNXBMFYSA-N -1 1 345.395 3.641 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000491943427 1037797956 /nfs/dbraw/zinc/79/79/56/1037797956.db2.gz VNAQNFUSVJBNDH-CHWSQXEVSA-N -1 1 343.839 3.956 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cccc(F)c2)c1 ZINC000182912989 1037921790 /nfs/dbraw/zinc/92/17/90/1037921790.db2.gz CHOJXPDTNBGBDY-UHFFFAOYSA-N -1 1 338.176 3.783 20 0 EHADMM O=C(NNc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000058573494 1038133939 /nfs/dbraw/zinc/13/39/39/1038133939.db2.gz SMSBZUWZIGRRBH-UHFFFAOYSA-N -1 1 330.693 3.821 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000339131579 1038411138 /nfs/dbraw/zinc/41/11/38/1038411138.db2.gz CRIJNBAHZIVWDC-CVEARBPZSA-N -1 1 337.354 3.664 20 0 EHADMM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000485281268 1038855128 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CC(C)CCO[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000899022649 1039925270 /nfs/dbraw/zinc/92/52/70/1039925270.db2.gz FBUIJPYOMKQRLO-MRXNPFEDSA-N -1 1 343.423 3.528 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCc2ncc(Cl)s2)[n-]1 ZINC000479227089 1040043946 /nfs/dbraw/zinc/04/39/46/1040043946.db2.gz OUWWJNTVPFIGDJ-UHFFFAOYSA-N -1 1 327.740 3.603 20 0 EHADMM CCOC[C@@H](NCc1ccc(-c2cccc(Cl)c2)s1)C(=O)[O-] ZINC000417662682 1040127419 /nfs/dbraw/zinc/12/74/19/1040127419.db2.gz VIZIXDHHXJBQLY-CQSZACIVSA-N -1 1 339.844 3.648 20 0 EHADMM C[C@H]1c2ccsc2CCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640341909 1040201847 /nfs/dbraw/zinc/20/18/47/1040201847.db2.gz KRYASOPHJTXOAB-JTQLQIEISA-N -1 1 329.450 3.931 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCCC(F)(F)C1)c1ccc(Cl)s1 ZINC000490004782 1040282975 /nfs/dbraw/zinc/28/29/75/1040282975.db2.gz XAKLMIPHWXNMBG-VIFPVBQESA-N -1 1 343.848 3.895 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc2ncsc2c1 ZINC000479488692 1040320426 /nfs/dbraw/zinc/32/04/26/1040320426.db2.gz 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CC(C)(C)OC(=O)CC1(C(=O)Nc2cc([O-])c(F)cc2F)CCC1 ZINC000909987996 1041120564 /nfs/dbraw/zinc/12/05/64/1041120564.db2.gz QIOKSXNBMPJHRB-UHFFFAOYSA-N -1 1 341.354 3.511 20 0 EHADMM C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000162732335 1041288031 /nfs/dbraw/zinc/28/80/31/1041288031.db2.gz VEJZXAFVUGXADV-MLGOLLRUSA-N -1 1 341.432 3.849 20 0 EHADMM CC(C)C[C@@H](C(=O)[O-])N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000652437635 1042476528 /nfs/dbraw/zinc/47/65/28/1042476528.db2.gz ZMRUWKZAQDJIOV-GJZGRUSLSA-N -1 1 345.361 3.578 20 0 EHADMM Cc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000759956328 1043031345 /nfs/dbraw/zinc/03/13/45/1043031345.db2.gz QNHSKVXQMAAVQQ-UHFFFAOYSA-N -1 1 331.334 3.594 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2cncnc2)cc1)c1cccc(Cl)c1 ZINC000344340952 1043688233 /nfs/dbraw/zinc/68/82/33/1043688233.db2.gz XAOWVTJADVZONM-UHFFFAOYSA-N -1 1 345.811 3.598 20 0 EHADMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1cccc(Cl)c1F ZINC000187347338 1043947886 /nfs/dbraw/zinc/94/78/86/1043947886.db2.gz LTGOQAPIFPPMOS-UHFFFAOYSA-N -1 1 325.742 3.989 20 0 EHADMM CC(C)(C)n1nccc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000620619300 1125612749 /nfs/dbraw/zinc/61/27/49/1125612749.db2.gz FUHNDFQHUDRJPD-UHFFFAOYSA-N -1 1 327.306 3.615 20 0 EHADMM CCCC[C@@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)C(C)C ZINC000623022763 1126856462 /nfs/dbraw/zinc/85/64/62/1126856462.db2.gz KKDCGPOKONWGBJ-CYBMUJFWSA-N -1 1 344.452 3.598 20 0 EHADMM COCc1nc(C)c(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000350815089 1127104710 /nfs/dbraw/zinc/10/47/10/1127104710.db2.gz MQWQUTMABXZQCX-UHFFFAOYSA-N -1 1 337.788 3.674 20 0 EHADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000181753238 1127294535 /nfs/dbraw/zinc/29/45/35/1127294535.db2.gz PBTCQLMRPHCWGM-UHFFFAOYSA-N -1 1 333.356 3.627 20 0 EHADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(-c2cccs2)on1 ZINC000182698212 1127344018 /nfs/dbraw/zinc/34/40/18/1127344018.db2.gz ZLJBPCSLJFWIFJ-UHFFFAOYSA-N -1 1 343.412 3.752 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c(C)o1 ZINC000182799247 1127348277 /nfs/dbraw/zinc/34/82/77/1127348277.db2.gz NDAIDFRNSXPLKO-UHFFFAOYSA-N -1 1 348.193 3.599 20 0 EHADMM CCc1c(C)sc2nc(-c3cc(OC4CCC4)ccn3)[n-]c(=O)c12 ZINC000183638857 1127383563 /nfs/dbraw/zinc/38/35/63/1127383563.db2.gz HFOKPYGUJIMMTM-UHFFFAOYSA-N -1 1 341.436 3.849 20 0 EHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(Cc2cnccn2)no1 ZINC000350963826 1127674075 /nfs/dbraw/zinc/67/40/75/1127674075.db2.gz UPCLFSJESXNUKK-UHFFFAOYSA-N -1 1 346.346 3.615 20 0 EHADMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@@H](C)CCCC(C)C)n1 ZINC000018226722 1127674708 /nfs/dbraw/zinc/67/47/08/1127674708.db2.gz BYMLZVPYCANGOS-ZDUSSCGKSA-N -1 1 339.505 3.558 20 0 EHADMM CSc1nc(C)c(CCC(=O)Nc2cccc(C(C)C)c2)c(=O)[n-]1 ZINC000022228420 1127688401 /nfs/dbraw/zinc/68/84/01/1127688401.db2.gz GIFMNXKVFAZFGK-UHFFFAOYSA-N -1 1 345.468 3.907 20 0 EHADMM Cc1ccc(Nc2ccc(F)c(Br)c2[O-])c(CO)c1 ZINC001214464597 1128497909 /nfs/dbraw/zinc/49/79/09/1128497909.db2.gz JCAFDKMKKZMGED-UHFFFAOYSA-N -1 1 326.165 3.838 20 0 EHADMM COc1c(F)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1F ZINC000055682115 1128526936 /nfs/dbraw/zinc/52/69/36/1128526936.db2.gz FYODWQNMMKWPTP-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccccc1Cl)C(F)(F)F ZINC000542753337 1128577132 /nfs/dbraw/zinc/57/71/32/1128577132.db2.gz DPTUPKUDLYEHHY-JTQLQIEISA-N -1 1 329.771 3.595 20 0 EHADMM O=S(=O)([N-]c1ccccc1N1CCCCCC1)c1ccccc1 ZINC000109423847 1128732541 /nfs/dbraw/zinc/73/25/41/1128732541.db2.gz LNJKSMOCMMBOMX-UHFFFAOYSA-N -1 1 330.453 3.868 20 0 EHADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116742901 1128747286 /nfs/dbraw/zinc/74/72/86/1128747286.db2.gz OFGVKQWZGMMGNW-SSDOTTSWSA-N -1 1 339.189 3.502 20 0 EHADMM CCC([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)(C1CC1)C1CC1 ZINC001670368820 1120039264 /nfs/dbraw/zinc/03/92/64/1120039264.db2.gz SUAMOCDNNVSYSO-UHFFFAOYSA-N -1 1 349.283 3.636 20 0 EHADMM CC[C@](C)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 ZINC001670436979 1120073655 /nfs/dbraw/zinc/07/36/55/1120073655.db2.gz FUUXAPAZWUEGSN-ZDUSSCGKSA-N -1 1 340.247 3.990 20 0 EHADMM CC(C)CCN(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000224647680 1120172548 /nfs/dbraw/zinc/17/25/48/1120172548.db2.gz UMPXVANVFARGJJ-UHFFFAOYSA-N -1 1 326.234 3.805 20 0 EHADMM O=C(NC[C@H]1C[C@@H]1C1CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001648917711 1120178618 /nfs/dbraw/zinc/17/86/18/1120178618.db2.gz KHGTYNWODOTINF-CHWSQXEVSA-N -1 1 327.346 3.967 20 0 EHADMM C[C@@H](c1ccccc1)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195115457 1120226897 /nfs/dbraw/zinc/22/68/97/1120226897.db2.gz LTOMKTSUNIUCNV-NSHDSACASA-N -1 1 347.827 3.660 20 0 EHADMM C[C@@H](c1ccccc1)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195115457 1120226898 /nfs/dbraw/zinc/22/68/98/1120226898.db2.gz LTOMKTSUNIUCNV-NSHDSACASA-N -1 1 347.827 3.660 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2c(C)cccc2SC)c1 ZINC000185335666 1120409675 /nfs/dbraw/zinc/40/96/75/1120409675.db2.gz BCEKDJSNQMIBAS-UHFFFAOYSA-N -1 1 337.466 3.664 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000187053032 1120484778 /nfs/dbraw/zinc/48/47/78/1120484778.db2.gz KYMSAUCXBYPLKD-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000187051255 1120485106 /nfs/dbraw/zinc/48/51/06/1120485106.db2.gz ZSOXZHDRRVSQDK-UHFFFAOYSA-N -1 1 349.305 3.654 20 0 EHADMM O=C(Nc1ccc(-c2ncon2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000192211853 1120725875 /nfs/dbraw/zinc/72/58/75/1120725875.db2.gz DXDSBKCVYCPIAM-UHFFFAOYSA-N -1 1 330.731 3.740 20 0 EHADMM CN(C)c1nc2cc(NC(=O)Nc3ccc([O-])c(Cl)c3)ccc2o1 ZINC000192236808 1120727088 /nfs/dbraw/zinc/72/70/88/1120727088.db2.gz SVTAHLWLIVYOPZ-UHFFFAOYSA-N -1 1 346.774 3.897 20 0 EHADMM CC(C)c1ccc2nc(-c3cccc(N4CCCC4=O)c3)[n-]c(=O)c2c1 ZINC000195292068 1120775139 /nfs/dbraw/zinc/77/51/39/1120775139.db2.gz ZQZMIRUAEDHJCO-UHFFFAOYSA-N -1 1 347.418 3.840 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000195448622 1120784803 /nfs/dbraw/zinc/78/48/03/1120784803.db2.gz CPANJUYXXPKWSO-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc21 ZINC000195730752 1120814183 /nfs/dbraw/zinc/81/41/83/1120814183.db2.gz YJCLZCWCRMGZDX-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM O=C(c1ncccc1[O-])N(CCc1ccccc1F)C1CCCC1 ZINC000494831669 1120878049 /nfs/dbraw/zinc/87/80/49/1120878049.db2.gz IDFJYYLRUUBNBQ-UHFFFAOYSA-N -1 1 328.387 3.554 20 0 EHADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C[C@@H]1C ZINC000230665234 1121006083 /nfs/dbraw/zinc/00/60/83/1121006083.db2.gz BMJZNTHEFRHAIU-JFGNBEQYSA-N -1 1 326.234 3.709 20 0 EHADMM O=C(NCCC1CCCCC1)c1ccc(Br)c([O-])c1 ZINC000231326465 1121028381 /nfs/dbraw/zinc/02/83/81/1121028381.db2.gz QFNNPDBJPSGZKD-UHFFFAOYSA-N -1 1 326.234 3.855 20 0 EHADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ncccc1F ZINC001127354160 1121315467 /nfs/dbraw/zinc/31/54/67/1121315467.db2.gz ZJKSOXFGJRDTTO-UHFFFAOYSA-N -1 1 334.763 3.645 20 0 EHADMM [O-]c1c(F)cc(Nc2c(F)cccc2OC2COC2)cc1Cl ZINC001214494520 1129024903 /nfs/dbraw/zinc/02/49/03/1129024903.db2.gz SBGFSZJVJZSSJF-UHFFFAOYSA-N -1 1 327.714 3.845 20 0 EHADMM CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153987712 1122157742 /nfs/dbraw/zinc/15/77/42/1122157742.db2.gz TWQZWNSSGGNLMM-UHFFFAOYSA-N -1 1 349.814 3.812 20 0 EHADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)c1nc(C(F)(F)F)cs1 ZINC000127553050 1122493202 /nfs/dbraw/zinc/49/32/02/1122493202.db2.gz NCKMXZBJYDZIPR-MRVPVSSYSA-N -1 1 348.321 3.888 20 0 EHADMM CC(=O)NCCCCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000917467786 1122615649 /nfs/dbraw/zinc/61/56/49/1122615649.db2.gz GRYAKMUMERABFQ-UHFFFAOYSA-N -1 1 345.468 3.556 20 0 EHADMM Cc1nc(SC[C@H]2CC[C@@H](C(F)(F)F)O2)[n-]c(=O)c1C1CC1 ZINC000918464324 1122813868 /nfs/dbraw/zinc/81/38/68/1122813868.db2.gz ZHTHCGNVNSHPQJ-ZJUUUORDSA-N -1 1 334.363 3.570 20 0 EHADMM C[C@H]1CN(Cc2ccc(Cl)cc2Br)CC[C@@H]1C(=O)[O-] ZINC000311381177 1129098684 /nfs/dbraw/zinc/09/86/84/1129098684.db2.gz NBCUUCRFDKTIBJ-CABZTGNLSA-N -1 1 346.652 3.645 20 0 EHADMM Cc1ccc([C@@H](C)NC(=O)c2cnc3nc(C)ccc3c2[O-])s1 ZINC000919765221 1123145580 /nfs/dbraw/zinc/14/55/80/1123145580.db2.gz QEXYZPBOZKFELM-LLVKDONJSA-N -1 1 327.409 3.505 20 0 EHADMM Cc1ccc([C@@H](C)NC(=O)c2c[n-]c3nc(C)ccc3c2=O)s1 ZINC000919765221 1123145582 /nfs/dbraw/zinc/14/55/82/1123145582.db2.gz QEXYZPBOZKFELM-LLVKDONJSA-N -1 1 327.409 3.505 20 0 EHADMM O=S(=O)([N-]c1cccc(CCC(F)(F)F)c1)c1ccccc1 ZINC000131929204 1123190670 /nfs/dbraw/zinc/19/06/70/1123190670.db2.gz YOJHSZYOPLTKCG-UHFFFAOYSA-N -1 1 329.343 3.982 20 0 EHADMM O=C([N-]c1nnc(C2CC2)s1)c1cnc(-c2ccccc2F)s1 ZINC000556941157 1123229063 /nfs/dbraw/zinc/22/90/63/1123229063.db2.gz QQUMLOHSCBPSMO-UHFFFAOYSA-N -1 1 346.412 3.930 20 0 EHADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc2c(c1)CCC2 ZINC000132797205 1123301677 /nfs/dbraw/zinc/30/16/77/1123301677.db2.gz XKUAQVFGPMFNHU-UHFFFAOYSA-N -1 1 340.404 3.631 20 0 EHADMM COC1CCC(C(=O)Nc2cc(C)cc(Br)c2[O-])CC1 ZINC000672935477 1129117173 /nfs/dbraw/zinc/11/71/73/1129117173.db2.gz WAKDSQODIKIFLD-UHFFFAOYSA-N -1 1 342.233 3.607 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCC12CCCCC2)c1ccc(F)c(F)c1F ZINC001212487499 1129120415 /nfs/dbraw/zinc/12/04/15/1129120415.db2.gz AVIYPBFMXUQANS-CYBMUJFWSA-N -1 1 347.402 3.885 20 0 EHADMM CCC[C@H](NC(=O)CC1CCC(c2ccccc2)CC1)c1nn[n-]n1 ZINC000136672774 1123716879 /nfs/dbraw/zinc/71/68/79/1123716879.db2.gz YNCAVPARONKEJY-PREGVCBESA-N -1 1 341.459 3.521 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cc(F)ccc1Cl ZINC000499643646 1129141843 /nfs/dbraw/zinc/14/18/43/1129141843.db2.gz QQVZNYFKJKKRCT-SECBINFHSA-N -1 1 341.782 3.583 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc1C ZINC000180275362 1123975417 /nfs/dbraw/zinc/97/54/17/1123975417.db2.gz MOSPJMCIIWBPRU-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1ccc([O-])cc1F ZINC000616883565 1124050546 /nfs/dbraw/zinc/05/05/46/1124050546.db2.gz LVQURMXLBJBGDO-GOSISDBHSA-N -1 1 343.398 3.555 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2csc(-c3ccoc3)n2)n1 ZINC000078566103 1129163787 /nfs/dbraw/zinc/16/37/87/1129163787.db2.gz WEQNHRAAXDFYKB-UHFFFAOYSA-N -1 1 333.438 3.731 20 0 EHADMM O=C([N-]c1nc(C2CC2)no1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000734876266 1131286295 /nfs/dbraw/zinc/28/62/95/1131286295.db2.gz LGQZIUFLJYPGRG-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000734873385 1131288900 /nfs/dbraw/zinc/28/89/00/1131288900.db2.gz XBVUYCWIEDKRLR-INIZCTEOSA-N -1 1 347.842 3.807 20 0 EHADMM CCOC(=O)c1nc(NC(=O)c2oc3c(c2C)c(C)ccc3C)c[n-]1 ZINC000617876424 1124809869 /nfs/dbraw/zinc/80/98/69/1124809869.db2.gz ODRZIQJVZDGVNA-UHFFFAOYSA-N -1 1 341.367 3.510 20 0 EHADMM CC(C)n1ccc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000735140774 1131312655 /nfs/dbraw/zinc/31/26/55/1131312655.db2.gz BQUCHULIANLRPW-UHFFFAOYSA-N -1 1 329.183 3.833 20 0 EHADMM O=C(Nc1cccnc1N1CCCC1)c1cc2ccccc2cc1[O-] ZINC000618154344 1125008916 /nfs/dbraw/zinc/00/89/16/1125008916.db2.gz GCMPFOCRIJIMOA-UHFFFAOYSA-N -1 1 333.391 3.793 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000619218061 1125320047 /nfs/dbraw/zinc/32/00/47/1125320047.db2.gz KXTIWLLBBPHTQL-UKRRQHHQSA-N -1 1 331.799 3.730 20 0 EHADMM O=C(C[C@H]1CCCCO1)Nc1c([O-])cc(Br)cc1Cl ZINC000673483566 1129457141 /nfs/dbraw/zinc/45/71/41/1129457141.db2.gz LGBTYKBLJUJGLV-SECBINFHSA-N -1 1 348.624 3.706 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)C(F)(F)F ZINC000673576104 1129578944 /nfs/dbraw/zinc/57/89/44/1129578944.db2.gz SPNSMGZVYNDNKR-ZCFIWIBFSA-N -1 1 343.779 3.784 20 0 EHADMM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1 ZINC000673576081 1129579094 /nfs/dbraw/zinc/57/90/94/1129579094.db2.gz JVPXLOGQFJRMET-QMMMGPOBSA-N -1 1 329.771 3.693 20 0 EHADMM CCCc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1 ZINC000673576219 1129579143 /nfs/dbraw/zinc/57/91/43/1129579143.db2.gz VZXSZVVOONVZIR-QMMMGPOBSA-N -1 1 329.771 3.522 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000509062860 1129711551 /nfs/dbraw/zinc/71/15/51/1129711551.db2.gz CLUFCSHBHWUPSH-UHFFFAOYSA-N -1 1 336.463 3.819 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c(C)c1 ZINC000509100960 1129745387 /nfs/dbraw/zinc/74/53/87/1129745387.db2.gz VOQYCWLDTVSVKV-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000303026838 1129809050 /nfs/dbraw/zinc/80/90/50/1129809050.db2.gz QBUJIWOFJLGJRC-UHFFFAOYSA-N -1 1 346.452 3.742 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c1C ZINC000673982419 1129933292 /nfs/dbraw/zinc/93/32/92/1129933292.db2.gz MVBCAMNFEBYDML-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM CC(C)(C)OC(=O)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000730438229 1130710463 /nfs/dbraw/zinc/71/04/63/1130710463.db2.gz ULLRFRKDOHQNEB-UHFFFAOYSA-N -1 1 349.408 3.801 20 0 EHADMM CC[C@H](C[N-]C(=O)C(F)(F)F)Cc1cccc(Br)c1 ZINC000736258970 1131414229 /nfs/dbraw/zinc/41/42/29/1131414229.db2.gz YJTMAIAYTWKJMT-VIFPVBQESA-N -1 1 338.167 3.696 20 0 EHADMM COc1ccccc1[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000738554889 1131472066 /nfs/dbraw/zinc/47/20/66/1131472066.db2.gz MXXFBASHGVOQMA-GFCCVEGCSA-N -1 1 331.799 3.684 20 0 EHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccc(CN2CC(O)C2)cc1 ZINC001212671868 1131785858 /nfs/dbraw/zinc/78/58/58/1131785858.db2.gz ZDHFCFMWXIXNAW-UHFFFAOYSA-N -1 1 339.222 3.619 20 0 EHADMM CC(C)Oc1ccccc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212689893 1131900861 /nfs/dbraw/zinc/90/08/61/1131900861.db2.gz RQMXXGYYQRRWNJ-UHFFFAOYSA-N -1 1 338.289 3.933 20 0 EHADMM CC(C)Oc1ccccc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212689893 1131900869 /nfs/dbraw/zinc/90/08/69/1131900869.db2.gz RQMXXGYYQRRWNJ-UHFFFAOYSA-N -1 1 338.289 3.933 20 0 EHADMM CSc1ccccc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744500460 1132112325 /nfs/dbraw/zinc/11/23/25/1132112325.db2.gz LUMOYUPSHIVLJB-UHFFFAOYSA-N -1 1 330.405 3.716 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000744661551 1132134366 /nfs/dbraw/zinc/13/43/66/1132134366.db2.gz YAYZDAAPKJBNHH-UHFFFAOYSA-N -1 1 342.366 3.551 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2cccc(F)c2F)c1 ZINC000744910724 1132167812 /nfs/dbraw/zinc/16/78/12/1132167812.db2.gz OTJKSJYAUPNERD-UHFFFAOYSA-N -1 1 348.345 3.592 20 0 EHADMM CS(=O)(=O)c1ccc(Nc2cc(Cl)c([O-])cc2Cl)cc1 ZINC001173942994 1132191437 /nfs/dbraw/zinc/19/14/37/1132191437.db2.gz FBDHKFAGCYMURG-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM CC(C)(C)c1nnc([N-]c2ccc(C(=O)NCc3ccco3)cc2)o1 ZINC001174155528 1132257700 /nfs/dbraw/zinc/25/77/00/1132257700.db2.gz WVEZOJHAIIEIRD-UHFFFAOYSA-N -1 1 340.383 3.634 20 0 EHADMM O=C(NCc1ccco1)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174156374 1132258880 /nfs/dbraw/zinc/25/88/80/1132258880.db2.gz NFCDPNXXLCAURF-UHFFFAOYSA-N -1 1 344.317 3.937 20 0 EHADMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)c1ccc2c(c1)CCC2 ZINC000745514946 1132262550 /nfs/dbraw/zinc/26/25/50/1132262550.db2.gz CJYVRWYVEHQMBT-JTQLQIEISA-N -1 1 346.329 3.587 20 0 EHADMM Cc1ccc(-c2nc(CNC(=O)c3ccc(Cl)cc3[O-])co2)cc1 ZINC000745985271 1132346633 /nfs/dbraw/zinc/34/66/33/1132346633.db2.gz ZFTJZBFMZGWIGT-UHFFFAOYSA-N -1 1 342.782 3.939 20 0 EHADMM O=C([O-])c1ccc(Nc2ccc(-n3ccc(=O)[nH]3)cc2)cc1Cl ZINC001175321478 1132638403 /nfs/dbraw/zinc/63/84/03/1132638403.db2.gz SAMFOCKLVQLFFI-UHFFFAOYSA-N -1 1 329.743 3.673 20 0 EHADMM O=C(Nc1c([O-])cccc1F)[C@H](Cc1cccnc1)C1CCCC1 ZINC000867006948 1132820780 /nfs/dbraw/zinc/82/07/80/1132820780.db2.gz RGFAVFDGEPLFDT-OAHLLOKOSA-N -1 1 328.387 3.914 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001176206480 1132872517 /nfs/dbraw/zinc/87/25/17/1132872517.db2.gz XVFIVSZLXFLGAB-UHFFFAOYSA-N -1 1 344.358 3.705 20 0 EHADMM CC[NH+](CC)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176239495 1132883856 /nfs/dbraw/zinc/88/38/56/1132883856.db2.gz YSIAEVDXJWHQRX-UHFFFAOYSA-N -1 1 328.368 3.673 20 0 EHADMM COc1ncc(Br)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663753 1132978392 /nfs/dbraw/zinc/97/83/92/1132978392.db2.gz LNNJDTYGGNIRSN-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM O=C1CCCN1Cc1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670864 1132978404 /nfs/dbraw/zinc/97/84/04/1132978404.db2.gz ODTZLEXASJGGSU-UHFFFAOYSA-N -1 1 336.313 3.676 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccc(N3CCOCC3)c(F)c2)c1F ZINC001176671569 1132979446 /nfs/dbraw/zinc/97/94/46/1132979446.db2.gz HQFOYENCWCTWLU-UHFFFAOYSA-N -1 1 342.292 3.529 20 0 EHADMM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000780421096 1133055341 /nfs/dbraw/zinc/05/53/41/1133055341.db2.gz VZKSGBPCODRXAX-UHFFFAOYSA-N -1 1 347.436 3.786 20 0 EHADMM Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc([O-])c(F)c1 ZINC000767940046 1133073529 /nfs/dbraw/zinc/07/35/29/1133073529.db2.gz MHUAWMUZBPVLHR-UHFFFAOYSA-N -1 1 342.395 3.893 20 0 EHADMM Cc1ccnc(C2(C(=O)Nc3cccc(C(F)(F)F)c3[O-])CC2)c1 ZINC001178071393 1133130080 /nfs/dbraw/zinc/13/00/80/1133130080.db2.gz OXPGWRBGNDNPSW-UHFFFAOYSA-N -1 1 336.313 3.785 20 0 EHADMM CCCCN(Cc1c(C)oc(C)c1C)C(=O)C(=O)c1ccc([O-])cc1 ZINC001178529470 1133176606 /nfs/dbraw/zinc/17/66/06/1133176606.db2.gz AZWHITIZINPOHS-UHFFFAOYSA-N -1 1 343.423 3.922 20 0 EHADMM CC(=O)c1ccccc1[N-]S(=O)(=O)C=Cc1cccc(Cl)c1 ZINC000768868278 1133192609 /nfs/dbraw/zinc/19/26/09/1133192609.db2.gz ZLXYMGOVQLKIDE-MDZDMXLPSA-N -1 1 335.812 3.955 20 0 EHADMM O=C(COc1ccc(F)c(Cl)c1)Nc1cc(F)c([O-])cc1Cl ZINC001179656801 1133267189 /nfs/dbraw/zinc/26/71/89/1133267189.db2.gz WQPPDPKQNASURR-UHFFFAOYSA-N -1 1 348.132 3.995 20 0 EHADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1nc2ccccc2[nH]1 ZINC000769759284 1133337768 /nfs/dbraw/zinc/33/77/68/1133337768.db2.gz MSXQVABFFNZZIW-LLVKDONJSA-N -1 1 329.787 3.803 20 0 EHADMM O=C(CC1CCC(F)(F)CC1)Nc1nc(Br)ccc1[O-] ZINC001181429117 1133485391 /nfs/dbraw/zinc/48/53/91/1133485391.db2.gz VYSZQXWSRPSVCN-UHFFFAOYSA-N -1 1 349.175 3.704 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3CC(c4cccc(F)c4)=NO3)n2)cc1F ZINC000771221792 1133529326 /nfs/dbraw/zinc/52/93/26/1133529326.db2.gz DUDVTGZKRIFWFK-OAHLLOKOSA-N -1 1 343.289 3.586 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H]3CC(c4cccc(F)c4)=NO3)n2)cc1F ZINC000771221791 1133529508 /nfs/dbraw/zinc/52/95/08/1133529508.db2.gz DUDVTGZKRIFWFK-HNNXBMFYSA-N -1 1 343.289 3.586 20 0 EHADMM CCc1ccccc1CNC(=O)c1ccc(Br)cc1[O-] ZINC000084204580 1133643074 /nfs/dbraw/zinc/64/30/74/1133643074.db2.gz SWDJSGPGVQFSNL-UHFFFAOYSA-N -1 1 334.213 3.647 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(C)C)nc2)c1 ZINC000772396377 1133682988 /nfs/dbraw/zinc/68/29/88/1133682988.db2.gz LSDCCMWHRQWXTQ-UHFFFAOYSA-N -1 1 327.380 3.513 20 0 EHADMM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000772473617 1133689928 /nfs/dbraw/zinc/68/99/28/1133689928.db2.gz ZCTPZBPCBUZXGR-LIRRHRJNSA-N -1 1 335.403 3.787 20 0 EHADMM CC(C)=CCOc1cccc(CC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC001183219432 1133779862 /nfs/dbraw/zinc/77/98/62/1133779862.db2.gz VYOXKRZCLDEBPR-UHFFFAOYSA-N -1 1 346.814 3.967 20 0 EHADMM COc1cc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)ccc1F ZINC001183202751 1133781870 /nfs/dbraw/zinc/78/18/70/1133781870.db2.gz BSFCHIVWWWFACT-UHFFFAOYSA-N -1 1 346.745 3.994 20 0 EHADMM Cc1c2ccccc2sc1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001183241832 1133784629 /nfs/dbraw/zinc/78/46/29/1133784629.db2.gz TYACYDVZJXXUTL-UHFFFAOYSA-N -1 1 340.330 3.528 20 0 EHADMM O=C(NC[C@@H]1CCCC1(F)F)c1c([O-])cnc2ccc(Cl)cc21 ZINC001183487086 1133808406 /nfs/dbraw/zinc/80/84/06/1133808406.db2.gz UKCFNGBAPDUWCJ-VIFPVBQESA-N -1 1 340.757 3.759 20 0 EHADMM O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1ccc([O-])cc1F ZINC000787767455 1134038766 /nfs/dbraw/zinc/03/87/66/1134038766.db2.gz FXEVIVWCMMKHFB-UHFFFAOYSA-N -1 1 349.667 3.956 20 0 EHADMM CC(C)Oc1ccccc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185123767 1134039251 /nfs/dbraw/zinc/03/92/51/1134039251.db2.gz OMNUWMWJIMZSEA-UHFFFAOYSA-N -1 1 341.379 3.694 20 0 EHADMM Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC001185341288 1134074458 /nfs/dbraw/zinc/07/44/58/1134074458.db2.gz RMZFESAMIKZJJR-UHFFFAOYSA-N -1 1 337.344 3.756 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)ccc2o1 ZINC001185524796 1134103133 /nfs/dbraw/zinc/10/31/33/1134103133.db2.gz LFXLOVGMWXZFMX-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM CC[C@@H](C)CCC(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001185570635 1134107834 /nfs/dbraw/zinc/10/78/34/1134107834.db2.gz ALCHLIPDYHVKGK-SECBINFHSA-N -1 1 330.222 3.928 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1scnc1C1CC1 ZINC001185695537 1134121455 /nfs/dbraw/zinc/12/14/55/1134121455.db2.gz UXSAZWBFKBRPAT-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM Cc1ccc2c([N-]S(=O)(=O)c3cccc(F)c3C)cccc2n1 ZINC001185829516 1134138102 /nfs/dbraw/zinc/13/81/02/1134138102.db2.gz SJXWPETYXAVLDZ-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM CCCCOc1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1 ZINC001185988073 1134153522 /nfs/dbraw/zinc/15/35/22/1134153522.db2.gz UBSCDPZZIMJCIY-UHFFFAOYSA-N -1 1 345.424 3.543 20 0 EHADMM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185991156 1134153988 /nfs/dbraw/zinc/15/39/88/1134153988.db2.gz NETZBSAWHXXTCG-UHFFFAOYSA-N -1 1 333.388 3.626 20 0 EHADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185997388 1134154869 /nfs/dbraw/zinc/15/48/69/1134154869.db2.gz 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CC(C)(O)c1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000775218188 1134543425 /nfs/dbraw/zinc/54/34/25/1134543425.db2.gz OWDCWNGDPLAYRQ-UHFFFAOYSA-N -1 1 335.403 3.703 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3cncc(C)c32)c1 ZINC001189232488 1134554246 /nfs/dbraw/zinc/55/42/46/1134554246.db2.gz POOZBAMPHHJUTK-UHFFFAOYSA-N -1 1 340.404 3.547 20 0 EHADMM O=S(=O)([N-]c1cccc2c1CCO2)c1ccc(F)c2ccccc21 ZINC001189386488 1134578212 /nfs/dbraw/zinc/57/82/12/1134578212.db2.gz XZYWDOXBRGEEGP-UHFFFAOYSA-N -1 1 343.379 3.715 20 0 EHADMM C[C@@H](O)c1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189387955 1134578409 /nfs/dbraw/zinc/57/84/09/1134578409.db2.gz DNBKVRNORKDQMM-GFCCVEGCSA-N -1 1 345.395 3.833 20 0 EHADMM Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cccc(F)c1[O-] ZINC001151779445 1134604618 /nfs/dbraw/zinc/60/46/18/1134604618.db2.gz CCGPKWBCHBWYJG-UHFFFAOYSA-N -1 1 347.296 3.556 20 0 EHADMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cccc(C2CCC2)n1 ZINC001189652659 1134612246 /nfs/dbraw/zinc/61/22/46/1134612246.db2.gz 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Cc1cc(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1F ZINC001192394454 1135013860 /nfs/dbraw/zinc/01/38/60/1135013860.db2.gz SAEVPDFFFOWPJI-UHFFFAOYSA-N -1 1 326.331 3.669 20 0 EHADMM COc1ccc([C@H](NC(=O)c2cc([O-])cc(F)c2F)C2CC2)cc1 ZINC001192678626 1135044776 /nfs/dbraw/zinc/04/47/76/1135044776.db2.gz JFLDXQDEXWUKPC-QGZVFWFLSA-N -1 1 333.334 3.560 20 0 EHADMM CNc1ccc(C(F)(F)F)cc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192664553 1135047433 /nfs/dbraw/zinc/04/74/33/1135047433.db2.gz BZWNZOMMFDOWRX-UHFFFAOYSA-N -1 1 346.255 3.983 20 0 EHADMM O=C(Nc1cccc([O-])c1Br)N[C@@H]1CCc2ccccc21 ZINC001192997308 1135082917 /nfs/dbraw/zinc/08/29/17/1135082917.db2.gz RJBWPXYSGSCJLU-GFCCVEGCSA-N -1 1 347.212 3.964 20 0 EHADMM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000804490489 1135097905 /nfs/dbraw/zinc/09/79/05/1135097905.db2.gz RBDONVMJBOFRRK-IFXJQAMLSA-N -1 1 335.403 3.706 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1cccc(-c2ccc(F)cc2)c1 ZINC001193923696 1135204901 /nfs/dbraw/zinc/20/49/01/1135204901.db2.gz GVUPXHWOYROJGG-UHFFFAOYSA-N -1 1 342.395 3.876 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2c(C)cccc2C)cc2cccnc21 ZINC001194643054 1135296422 /nfs/dbraw/zinc/29/64/22/1135296422.db2.gz HKOSHHUJWUPULB-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM CC1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])Cc2ccccc2C1 ZINC001137551533 1135339697 /nfs/dbraw/zinc/33/96/97/1135339697.db2.gz KXMBRJHDDGJSFF-UHFFFAOYSA-N -1 1 347.414 3.786 20 0 EHADMM O=C(Nc1cccc(-c2ccccc2)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000805261414 1135444161 /nfs/dbraw/zinc/44/41/61/1135444161.db2.gz ZPWPOPYMIWOPLC-UHFFFAOYSA-N -1 1 346.415 3.937 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2ccccc2)c(F)c1)c1ccc(O)cc1 ZINC001195811284 1135474512 /nfs/dbraw/zinc/47/45/12/1135474512.db2.gz WIQUUENLXKMHLZ-UHFFFAOYSA-N -1 1 343.379 3.999 20 0 EHADMM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1ccccc1O ZINC001197751119 1135734510 /nfs/dbraw/zinc/73/45/10/1135734510.db2.gz UPSQJASSMWQNOK-UHFFFAOYSA-N -1 1 332.208 3.641 20 0 EHADMM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc2nccnc2c1 ZINC001198148678 1135779071 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CSc1cc(C)nc(SC)c1[N-]C(=O)c1nccn1CC1CC1 ZINC001199450304 1135904563 /nfs/dbraw/zinc/90/45/63/1135904563.db2.gz NYVOMNARWYQTCT-UHFFFAOYSA-N -1 1 348.497 3.693 20 0 EHADMM O=c1cc(C(F)F)nc(SCc2ncc(Cl)nc2Cl)[n-]1 ZINC000809986672 1135908916 /nfs/dbraw/zinc/90/89/16/1135908916.db2.gz JPYGYYXNTRPVBI-UHFFFAOYSA-N -1 1 339.154 3.509 20 0 EHADMM COc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000747595158 1135926147 /nfs/dbraw/zinc/92/61/47/1135926147.db2.gz IZMLPQOPJVVDEE-HJWRWDBZSA-N -1 1 341.791 3.900 20 0 EHADMM [O-]c1c(F)cccc1NC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200883114 1135963267 /nfs/dbraw/zinc/96/32/67/1135963267.db2.gz DALSOVONJVDILB-UHFFFAOYSA-N -1 1 328.372 3.526 20 0 EHADMM CN(C(N)=O)c1ccc(OC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000810570818 1135976419 /nfs/dbraw/zinc/97/64/19/1135976419.db2.gz RJPIIOSUHQTRBO-UHFFFAOYSA-N -1 1 349.799 3.617 20 0 EHADMM O=C(NOCc1ccc(C(F)(F)F)cc1)c1c([O-])cccc1Cl ZINC000747617656 1135984332 /nfs/dbraw/zinc/98/43/32/1135984332.db2.gz TZADITZGGYAFAF-UHFFFAOYSA-N -1 1 345.704 3.926 20 0 EHADMM CCC1([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)CCC1 ZINC001201285182 1136001238 /nfs/dbraw/zinc/00/12/38/1136001238.db2.gz BPZVYGVDZXXUGM-UHFFFAOYSA-N -1 1 326.220 3.744 20 0 EHADMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1ncc(C(C)(C)C)o1 ZINC000747696209 1136072173 /nfs/dbraw/zinc/07/21/73/1136072173.db2.gz WHMOKSYUFCWGNL-QMMMGPOBSA-N -1 1 325.311 3.874 20 0 EHADMM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1Cl)c1sccc1F ZINC000338909110 1136145541 /nfs/dbraw/zinc/14/55/41/1136145541.db2.gz XLLOKGLPCGCZSD-HQJQHLMTSA-N -1 1 349.811 3.514 20 0 EHADMM CCc1cc2c(COC(=O)[C@H]3CC[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000776424436 1136185255 /nfs/dbraw/zinc/18/52/55/1136185255.db2.gz MITVFBDZJRFFOO-YPMHNXCESA-N -1 1 330.380 3.540 20 0 EHADMM CCOC(=O)/C(=C/c1cc(F)c([O-])c(F)c1)c1ccncc1Cl ZINC000812244110 1136188611 /nfs/dbraw/zinc/18/86/11/1136188611.db2.gz DTIKYWASQMDEDF-VZUCSPMQSA-N -1 1 339.725 3.823 20 0 EHADMM CON(Cc1ccc(Cl)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000812911329 1136268468 /nfs/dbraw/zinc/26/84/68/1136268468.db2.gz PEPGWWLJKIISCI-UHFFFAOYSA-N -1 1 345.782 3.716 20 0 EHADMM C[C@@H]1CC[C@](C)(/C=C\C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1(C)C ZINC001133907017 1136358759 /nfs/dbraw/zinc/35/87/59/1136358759.db2.gz KHQLRMXYXRNWMI-JGTLHMHFSA-N -1 1 330.354 3.781 20 0 EHADMM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C[C@H](O)c1cccc(Cl)c1 ZINC000851707757 1136400199 /nfs/dbraw/zinc/40/01/99/1136400199.db2.gz KAABZXGSSIUMEI-KSZLIROESA-N -1 1 345.826 3.664 20 0 EHADMM Cc1sc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)nc1C(C)C ZINC000855234458 1136679646 /nfs/dbraw/zinc/67/96/46/1136679646.db2.gz ALFMBJTUEHRBTD-UHFFFAOYSA-N -1 1 334.445 3.755 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000855635769 1136714420 /nfs/dbraw/zinc/71/44/20/1136714420.db2.gz DGBGRIDMMZJMOD-OAHLLOKOSA-N -1 1 331.460 3.656 20 0 EHADMM CC(C)Cc1nsc([N-]C(=O)c2csc(-c3ccccn3)n2)n1 ZINC000855706804 1136720172 /nfs/dbraw/zinc/72/01/72/1136720172.db2.gz WKBYJOFEAKZLRG-UHFFFAOYSA-N -1 1 345.453 3.507 20 0 EHADMM O=S(=O)([N-]Cc1ccc2sccc2c1)c1sccc1F ZINC000338992860 1136777419 /nfs/dbraw/zinc/77/74/19/1136777419.db2.gz PUBRWUDSUPKVTR-UHFFFAOYSA-N -1 1 327.427 3.580 20 0 EHADMM O=C([N-]c1cc(F)cc(F)c1F)c1nc(Br)ccc1F ZINC000817088140 1136777627 /nfs/dbraw/zinc/77/76/27/1136777627.db2.gz ZMXMMNSPAXTUJW-UHFFFAOYSA-N -1 1 349.081 3.653 20 0 EHADMM CC(C)Cc1nsc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)n1 ZINC000857648504 1136895300 /nfs/dbraw/zinc/89/53/00/1136895300.db2.gz AJJVEABDWPAWOC-UHFFFAOYSA-N -1 1 349.218 3.830 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnc2c(F)cccc2c1 ZINC001136190790 1136916621 /nfs/dbraw/zinc/91/66/21/1136916621.db2.gz PMESNBPZOIKWOX-UHFFFAOYSA-N -1 1 348.337 3.722 20 0 EHADMM COc1cc([C@H](C)NC(=O)c2cccc([O-])c2F)ccc1OC(C)C ZINC001136199288 1136924855 /nfs/dbraw/zinc/92/48/55/1136924855.db2.gz UUTJTFCCUIYZJL-LBPRGKRZSA-N -1 1 347.386 3.818 20 0 EHADMM CCN(CCc1ccccc1)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001136276247 1136964515 /nfs/dbraw/zinc/96/45/15/1136964515.db2.gz OCIAUAHBRPLNSE-UHFFFAOYSA-N -1 1 338.382 3.784 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1cccc(-c2nccs2)c1 ZINC001136321263 1136986065 /nfs/dbraw/zinc/98/60/65/1136986065.db2.gz SZEJSKUFCFQSBN-UHFFFAOYSA-N -1 1 326.377 3.777 20 0 EHADMM O=S(=O)([N-]c1cnc(Cl)cc1Cl)c1ccccc1Cl ZINC000820799232 1137006590 /nfs/dbraw/zinc/00/65/90/1137006590.db2.gz GBCCQKTWCNBJAF-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM O=C(OCc1noc(C2CCC2)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000859548608 1137019584 /nfs/dbraw/zinc/01/95/84/1137019584.db2.gz GHQFPHWCYVWDLK-UHFFFAOYSA-N -1 1 343.166 3.707 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)co1 ZINC000821435660 1137027144 /nfs/dbraw/zinc/02/71/44/1137027144.db2.gz BBKMQOCICBBLKG-VOTSOKGWSA-N -1 1 344.396 3.839 20 0 EHADMM CC(C)(C)Cc1ncc(C(=O)Nc2ccc([O-])c(F)c2F)s1 ZINC000821970497 1137045790 /nfs/dbraw/zinc/04/57/90/1137045790.db2.gz LOMLAWWGPUFQSI-UHFFFAOYSA-N -1 1 326.368 3.968 20 0 EHADMM Cc1ccccc1[C@H](NC(=O)c1cnncc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001136731810 1137103974 /nfs/dbraw/zinc/10/39/74/1137103974.db2.gz HRQIQPUBASKSBW-ZXYWRSMDSA-N -1 1 339.439 3.788 20 0 EHADMM CCCCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000118957012 1137145578 /nfs/dbraw/zinc/14/55/78/1137145578.db2.gz KYDCJXNWDGVFTH-CYBMUJFWSA-N -1 1 346.452 3.569 20 0 EHADMM Cc1ccoc1CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011391 1137160273 /nfs/dbraw/zinc/16/02/73/1137160273.db2.gz INYMVKNRVZNJGE-UHFFFAOYSA-N -1 1 326.318 3.687 20 0 EHADMM CC(C)N(CCC(=O)Nc1cccc(F)c1[O-])C(=O)OC(C)(C)C ZINC000863010173 1137167070 /nfs/dbraw/zinc/16/70/70/1137167070.db2.gz PHLWYIGNQKXLDX-UHFFFAOYSA-N -1 1 340.395 3.505 20 0 EHADMM Cc1c(CN[C@@H](COC(C)C)C(=O)[O-])sc2c1cccc2Cl ZINC000864517645 1137231508 /nfs/dbraw/zinc/23/15/08/1137231508.db2.gz JGKROWLSHXYIGD-ZDUSSCGKSA-N -1 1 341.860 3.831 20 0 EHADMM COC(=O)c1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000844741984 1137248836 /nfs/dbraw/zinc/24/88/36/1137248836.db2.gz ZHUWQBYIHHFYFJ-UHFFFAOYSA-N -1 1 339.322 3.723 20 0 EHADMM C[C@H](CC(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC001144415653 1137288098 /nfs/dbraw/zinc/28/80/98/1137288098.db2.gz UNYZPDSNLGYQNA-SNVBAGLBSA-N -1 1 335.201 3.682 20 0 EHADMM COc1cccc(O[C@@H]2CCCN(Cc3c(F)cc([O-])cc3F)C2)c1 ZINC001144554778 1137308888 /nfs/dbraw/zinc/30/88/88/1137308888.db2.gz HIKMZPLNJOKDIR-MRXNPFEDSA-N -1 1 349.377 3.722 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(COc3ccccc3)CC2)c(F)c1 ZINC001144555193 1137309089 /nfs/dbraw/zinc/30/90/89/1137309089.db2.gz YZNXPFNRBXVJDR-UHFFFAOYSA-N -1 1 333.378 3.961 20 0 EHADMM Cc1cccc(C)c1N1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144561426 1137309868 /nfs/dbraw/zinc/30/98/68/1137309868.db2.gz IQYIHSLYPBWSSQ-UHFFFAOYSA-N -1 1 332.394 3.609 20 0 EHADMM CC(C)c1noc([C@H]2CCCN(Cc3cc(F)c([O-])cc3F)C2)n1 ZINC001144658455 1137327251 /nfs/dbraw/zinc/32/72/51/1137327251.db2.gz WYPHIGKTFRHRJQ-NSHDSACASA-N -1 1 337.370 3.556 20 0 EHADMM O=c1cc(CN2CCC(C3CC3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000794897206 1137332919 /nfs/dbraw/zinc/33/29/19/1137332919.db2.gz VOBPCSMCNRHNFX-UHFFFAOYSA-N -1 1 333.815 3.774 20 0 EHADMM O=C(Cc1ccc(C2CC2)cc1)Nc1nc(Br)ccc1[O-] ZINC001144715897 1137334429 /nfs/dbraw/zinc/33/44/29/1137334429.db2.gz WQOBOEQMQIINPJ-UHFFFAOYSA-N -1 1 347.212 3.608 20 0 EHADMM C/C(=C\CN1CCC[C@@H]1c1ccc(Br)c(C)c1)C(=O)[O-] ZINC000846255748 1137344224 /nfs/dbraw/zinc/34/42/24/1137344224.db2.gz FWDKPTOLHRHPFK-XKOZXHHJSA-N -1 1 338.245 3.925 20 0 EHADMM CC1(C)Cc2cc(CN[C@H](C(=O)[O-])c3ccc(F)cc3F)ccc2O1 ZINC000846781791 1137365449 /nfs/dbraw/zinc/36/54/49/1137365449.db2.gz WNCWKSWGTDKSQO-KRWDZBQOSA-N -1 1 347.361 3.594 20 0 EHADMM CC(C)n1cc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cn1 ZINC001145104045 1137385385 /nfs/dbraw/zinc/38/53/85/1137385385.db2.gz WKMRPYKJDBLIQJ-SNVBAGLBSA-N -1 1 341.333 3.679 20 0 EHADMM CCOC(=O)[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC001147855008 1137414109 /nfs/dbraw/zinc/41/41/09/1137414109.db2.gz SUICYDFZOOQBRO-LJQANCHMSA-N -1 1 349.386 3.580 20 0 EHADMM CON(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H](C)c1csc(C)n1 ZINC000868659525 1137418346 /nfs/dbraw/zinc/41/83/46/1137418346.db2.gz GOJTYJUZVQNHPQ-SECBINFHSA-N -1 1 340.832 3.504 20 0 EHADMM O=C(Nc1cnc2ccccc2n1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148795133 1137435005 /nfs/dbraw/zinc/43/50/05/1137435005.db2.gz VRVWYJROLGIVAN-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM CC(C)c1nc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2[O-])no1 ZINC001148808623 1137435616 /nfs/dbraw/zinc/43/56/16/1137435616.db2.gz JWKJXCQEPJANJJ-CYBMUJFWSA-N -1 1 349.818 3.919 20 0 EHADMM COc1ccc(CCC(=O)[N-]O[C@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000871797858 1137558673 /nfs/dbraw/zinc/55/86/73/1137558673.db2.gz GMIFLTIYHJQUHM-CYBMUJFWSA-N -1 1 346.427 3.722 20 0 EHADMM Cc1ccc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)cc1C(=O)[O-] ZINC000872156498 1137574293 /nfs/dbraw/zinc/57/42/93/1137574293.db2.gz AHHNHOSXTYQEBG-BEFAXECRSA-N -1 1 325.408 3.655 20 0 EHADMM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)CCOCC1CCC1 ZINC000872410584 1137579656 /nfs/dbraw/zinc/57/96/56/1137579656.db2.gz OGBHLBSSDZBFHJ-UHFFFAOYSA-N -1 1 347.427 3.747 20 0 EHADMM C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872986397 1137587585 /nfs/dbraw/zinc/58/75/85/1137587585.db2.gz MVSJPEAQMZEFSF-SECBINFHSA-N -1 1 338.757 3.966 20 0 EHADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1N1CCCC1 ZINC000874944226 1137626832 /nfs/dbraw/zinc/62/68/32/1137626832.db2.gz XKRKTZIDEFKMMS-UHFFFAOYSA-N -1 1 332.350 3.831 20 0 EHADMM CC[C@](C)([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1nccs1 ZINC000875352951 1137632309 /nfs/dbraw/zinc/63/23/09/1137632309.db2.gz LWQGMXUEKIEGHL-AWEZNQCLSA-N -1 1 346.349 3.955 20 0 EHADMM CCCCCC[C@H](CC)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000880653398 1137783449 /nfs/dbraw/zinc/78/34/49/1137783449.db2.gz VQCSGDIOXSXQIS-LBPRGKRZSA-N -1 1 325.478 3.517 20 0 EHADMM O=C(Nc1cc(Br)ccc1F)c1cc(F)ccc1[O-] ZINC000128614429 1137789640 /nfs/dbraw/zinc/78/96/40/1137789640.db2.gz DSNOBXHRFBSEEE-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC2(CCCCO2)CC1 ZINC000882429029 1137826779 /nfs/dbraw/zinc/82/67/79/1137826779.db2.gz DQGFNLSEGOIPQG-UHFFFAOYSA-N -1 1 325.408 3.721 20 0 EHADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000130398052 1137836690 /nfs/dbraw/zinc/83/66/90/1137836690.db2.gz XHPPGPLKIPMWSK-UHFFFAOYSA-N -1 1 345.754 3.622 20 0 EHADMM CCCN(CC(F)F)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000133081617 1137877901 /nfs/dbraw/zinc/87/79/01/1137877901.db2.gz NYISPBRCTGDAJS-UHFFFAOYSA-N -1 1 332.445 3.528 20 0 EHADMM O=c1nc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)[n-]c2ccsc21 ZINC000111306322 1137903985 /nfs/dbraw/zinc/90/39/85/1137903985.db2.gz MZOHDYIFEVINTL-LBPRGKRZSA-N -1 1 345.855 3.628 20 0 EHADMM O=c1nc(CN2CC[C@H](c3ccc(Cl)cc3)C2)[n-]c2ccsc21 ZINC000111306322 1137903986 /nfs/dbraw/zinc/90/39/86/1137903986.db2.gz MZOHDYIFEVINTL-LBPRGKRZSA-N -1 1 345.855 3.628 20 0 EHADMM Cc1cnc(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c([O-])c1 ZINC000332247815 1137937153 /nfs/dbraw/zinc/93/71/53/1137937153.db2.gz BSSHDKUWKQUINW-CYBMUJFWSA-N -1 1 345.468 3.695 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000885680690 1138018309 /nfs/dbraw/zinc/01/83/09/1138018309.db2.gz WHOLHYVSJPHUPE-CHWSQXEVSA-N -1 1 349.789 3.944 20 0 EHADMM Cc1c2ccccc2oc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640168 1138076895 /nfs/dbraw/zinc/07/68/95/1138076895.db2.gz IPISMDJHCSIUQP-UHFFFAOYSA-N -1 1 330.413 3.506 20 0 EHADMM CC[C@@H](CC(=O)NCCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000067072598 1138079912 /nfs/dbraw/zinc/07/99/12/1138079912.db2.gz BOCSLYCSGKFTKY-AWEZNQCLSA-N -1 1 346.500 3.764 20 0 EHADMM CCOc1ncc(Nc2ccc(F)c(Br)c2[O-])cc1F ZINC001212833013 1138623203 /nfs/dbraw/zinc/62/32/03/1138623203.db2.gz BWSNWZMXINMTMI-UHFFFAOYSA-N -1 1 345.143 3.970 20 0 EHADMM CC1(C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCS1 ZINC000338393599 1138885419 /nfs/dbraw/zinc/88/54/19/1138885419.db2.gz XSZMHQPFDOELHY-UHFFFAOYSA-N -1 1 336.844 3.561 20 0 EHADMM CCOc1cc(C(=O)Nc2ccnn2C2CCC2)cc(Cl)c1[O-] ZINC000890348773 1139344419 /nfs/dbraw/zinc/34/44/19/1139344419.db2.gz IVHJTAPKZTUXAE-UHFFFAOYSA-N -1 1 335.791 3.618 20 0 EHADMM CC[C@@H]([N-]C(=O)C(C)(Cl)Cl)c1nc(C(F)(F)F)cs1 ZINC000181514801 1139912231 /nfs/dbraw/zinc/91/22/31/1139912231.db2.gz PRYUNXXAOKJTRG-RXMQYKEDSA-N -1 1 335.178 3.923 20 0 EHADMM CC(=O)CC(C)(C)CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000187861889 1140274725 /nfs/dbraw/zinc/27/47/25/1140274725.db2.gz PIROEAYUXIKOOR-UHFFFAOYSA-N -1 1 342.233 3.797 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCCC[C@@H]1c1ncon1 ZINC000189630931 1140356545 /nfs/dbraw/zinc/35/65/45/1140356545.db2.gz YJGIDFNUPKZOCG-MRXNPFEDSA-N -1 1 337.379 3.686 20 0 EHADMM COC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccco1 ZINC000266889466 1140734646 /nfs/dbraw/zinc/73/46/46/1140734646.db2.gz ABTORXWSKLRAJK-GFCCVEGCSA-N -1 1 329.730 3.529 20 0 EHADMM Cc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000096743613 1140786601 /nfs/dbraw/zinc/78/66/01/1140786601.db2.gz JYONXHXEKZSBHA-UHFFFAOYSA-N -1 1 339.407 3.573 20 0 EHADMM CCN(CCc1cccs1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000270905782 1141282032 /nfs/dbraw/zinc/28/20/32/1141282032.db2.gz TUWYMMBDKNWRQY-UHFFFAOYSA-N -1 1 347.484 3.554 20 0 EHADMM CN(C)Cc1cnc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)s1 ZINC000349104404 1141639281 /nfs/dbraw/zinc/63/92/81/1141639281.db2.gz DLZPJRORAHDGPN-VURMDHGXSA-N -1 1 339.420 3.622 20 0 EHADMM Cc1ccc([C@H](C)Nc2c3ccccc3nnc2-c2nnn[n-]2)c(C)c1 ZINC000737319533 598960383 /nfs/dbraw/zinc/96/03/83/598960383.db2.gz FEVHJDDRPMBRDH-ZDUSSCGKSA-N -1 1 345.410 3.600 20 0 EHADMM Cc1ccc([C@H](C)Nc2c3ccccc3nnc2-c2nn[n-]n2)c(C)c1 ZINC000737319533 598960384 /nfs/dbraw/zinc/96/03/84/598960384.db2.gz FEVHJDDRPMBRDH-ZDUSSCGKSA-N -1 1 345.410 3.600 20 0 EHADMM O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738251033 598984919 /nfs/dbraw/zinc/98/49/19/598984919.db2.gz LTFJILGAFNSVQB-UHFFFAOYSA-N -1 1 349.394 3.529 20 0 EHADMM O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738251033 598984921 /nfs/dbraw/zinc/98/49/21/598984921.db2.gz LTFJILGAFNSVQB-UHFFFAOYSA-N -1 1 349.394 3.529 20 0 EHADMM Cc1c(CNc2snc(Cl)c2-c2nnn[n-]2)oc2ccccc12 ZINC000737216675 599058216 /nfs/dbraw/zinc/05/82/16/599058216.db2.gz VZTTXQZMZMHBAS-UHFFFAOYSA-N -1 1 346.803 3.643 20 0 EHADMM Cc1c(CNc2snc(Cl)c2-c2nn[n-]n2)oc2ccccc12 ZINC000737216675 599058219 /nfs/dbraw/zinc/05/82/19/599058219.db2.gz VZTTXQZMZMHBAS-UHFFFAOYSA-N -1 1 346.803 3.643 20 0 EHADMM CC(C)(C)[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735596170 599169982 /nfs/dbraw/zinc/16/99/82/599169982.db2.gz JUGXNIAYALEGDY-LLVKDONJSA-N -1 1 334.855 3.568 20 0 EHADMM CC(C)(C)[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735596170 599169983 /nfs/dbraw/zinc/16/99/83/599169983.db2.gz JUGXNIAYALEGDY-LLVKDONJSA-N -1 1 334.855 3.568 20 0 EHADMM c1cc(-c2nn[n-]n2)sc1CNc1ccccc1OC1CCCC1 ZINC000823786965 607313729 /nfs/dbraw/zinc/31/37/29/607313729.db2.gz FTXLBCRHHZZBEJ-UHFFFAOYSA-N -1 1 341.440 3.862 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(Cl)s1 ZINC000736140389 598572801 /nfs/dbraw/zinc/57/28/01/598572801.db2.gz VHEKIZKYIPOOEX-ZCFIWIBFSA-N -1 1 341.227 3.803 20 0 EHADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC000736140389 598572802 /nfs/dbraw/zinc/57/28/02/598572802.db2.gz VHEKIZKYIPOOEX-ZCFIWIBFSA-N -1 1 341.227 3.803 20 0 EHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(Cl)c1Cl ZINC000736137167 599440605 /nfs/dbraw/zinc/44/06/05/599440605.db2.gz KPUCFWDRJSGDFQ-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(Cl)c1Cl ZINC000736137167 599440607 /nfs/dbraw/zinc/44/06/07/599440607.db2.gz KPUCFWDRJSGDFQ-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM CC(C)(NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000736338994 599759708 /nfs/dbraw/zinc/75/97/08/599759708.db2.gz AUYFMDZZBWDGHH-UHFFFAOYSA-N -1 1 346.814 3.502 20 0 EHADMM Cc1sc(NC(=O)CN2CCC[C@@H]2C(C)(C)C)c(C(=O)[O-])c1C ZINC000738993020 599793240 /nfs/dbraw/zinc/79/32/40/599793240.db2.gz KKCMKBIOQRFSRZ-GFCCVEGCSA-N -1 1 338.473 3.512 20 0 EHADMM CC(C)c1ccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c(C(=O)[O-])c1 ZINC000736515812 600074552 /nfs/dbraw/zinc/07/45/52/600074552.db2.gz SJWPBYAYPLSUCB-UHFFFAOYSA-N -1 1 339.351 3.744 20 0 EHADMM O=C([O-])c1ccc2c(c1)CN(C[C@H](O)c1ccc3ccccc3c1)C2 ZINC000740202564 600081672 /nfs/dbraw/zinc/08/16/72/600081672.db2.gz JJDIAHLELHSBOO-FQEVSTJZSA-N -1 1 333.387 3.587 20 0 EHADMM Cc1[nH]c(C(=O)CN[C@H](c2ccc(F)cc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738152260 600119138 /nfs/dbraw/zinc/11/91/38/600119138.db2.gz BMZCNPUBERTMEU-KRWDZBQOSA-N -1 1 346.402 3.638 20 0 EHADMM CC[C@@H](c1ccncc1)N(CC)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000736928764 600559337 /nfs/dbraw/zinc/55/93/37/600559337.db2.gz FKYUYGAPVURVMD-KRWDZBQOSA-N -1 1 338.411 3.560 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@@H](C)c2cccc(C)c2C)c(C)c1C(=O)[O-] ZINC000738694324 600640220 /nfs/dbraw/zinc/64/02/20/600640220.db2.gz YNXHSDPCXOLJFM-ZFWWWQNUSA-N -1 1 342.439 3.869 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1F ZINC000563453702 601628326 /nfs/dbraw/zinc/62/83/26/601628326.db2.gz MXCFIMGRYVQGPQ-INIZCTEOSA-N -1 1 343.354 3.590 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000050926511 601841447 /nfs/dbraw/zinc/84/14/47/601841447.db2.gz IAOBURDCXHHOTI-UHFFFAOYSA-N -1 1 326.234 3.526 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ccc(Br)s2)CC1 ZINC000050926235 601842363 /nfs/dbraw/zinc/84/23/63/601842363.db2.gz FFYOSNGBZDIURT-UHFFFAOYSA-N -1 1 332.263 3.587 20 0 EHADMM O=C([O-])[C@@H](N[C@H]1COc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000833167043 601975205 /nfs/dbraw/zinc/97/52/05/601975205.db2.gz LFBHLIMAVFTZML-ZFWWWQNUSA-N -1 1 338.190 3.842 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1ccsc1C(=O)[O-])CCC2 ZINC000578137440 602054070 /nfs/dbraw/zinc/05/40/70/602054070.db2.gz IVDIBGJJJQSHFK-LBPRGKRZSA-N -1 1 336.482 3.975 20 0 EHADMM CCc1nc2c(s1)[C@H](N(C)Cc1cc(C(=O)[O-])oc1C)CCC2 ZINC000568064728 602055739 /nfs/dbraw/zinc/05/57/39/602055739.db2.gz ONQDIGLTQRNYNJ-CYBMUJFWSA-N -1 1 334.441 3.815 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000827134330 602227331 /nfs/dbraw/zinc/22/73/31/602227331.db2.gz RNAKWGUHUJIWKF-GOSISDBHSA-N -1 1 348.487 3.961 20 0 EHADMM CCOCc1ccccc1CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000827410397 603849971 /nfs/dbraw/zinc/84/99/71/603849971.db2.gz YZFSVSXNROYYFX-UHFFFAOYSA-N -1 1 340.423 3.553 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(F)c1Br)c1ccccc1 ZINC000156964804 604435478 /nfs/dbraw/zinc/43/54/78/604435478.db2.gz NXZNBMWJPPEWHN-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)c(OCCC(C)C)c1 ZINC000832934244 605007513 /nfs/dbraw/zinc/00/75/13/605007513.db2.gz PJBBLDQQBCMUJE-LJQANCHMSA-N -1 1 342.439 3.730 20 0 EHADMM CCCOc1ccc([C@H](C)NCc2cc(C(=O)[O-])oc2C)cc1OC ZINC000833652121 605076882 /nfs/dbraw/zinc/07/68/82/605076882.db2.gz LSBBSBWAJWLKRR-LBPRGKRZSA-N -1 1 347.411 3.934 20 0 EHADMM C[C@@H](NC(=O)[O-])c1ccc(CN[C@H](C)c2cccnc2Cl)cc1 ZINC000825398673 605118075 /nfs/dbraw/zinc/11/80/75/605118075.db2.gz ZMWIVNQCWIHMBX-VXGBXAGGSA-N -1 1 333.819 3.914 20 0 EHADMM CC(C)(C)C[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000833429851 605150264 /nfs/dbraw/zinc/15/02/64/605150264.db2.gz PPHWRLRZAZYRER-XPSMFNQNSA-N -1 1 331.441 3.957 20 0 EHADMM CN(Cc1cc(F)c(F)c(F)c1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833693950 605245308 /nfs/dbraw/zinc/24/53/08/605245308.db2.gz BYMPDWGKSBJVFA-HNNXBMFYSA-N -1 1 327.277 3.501 20 0 EHADMM O=C([O-])Nc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000834258997 605465272 /nfs/dbraw/zinc/46/52/72/605465272.db2.gz PYKNIFLFJHBJGA-UHFFFAOYSA-N -1 1 327.359 3.600 20 0 EHADMM O=C([O-])N1CCC[C@H](N[C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000834098749 605627166 /nfs/dbraw/zinc/62/71/66/605627166.db2.gz NACXLNUHBXZFCX-DOTOQJQBSA-N -1 1 345.830 3.556 20 0 EHADMM Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)cc1 ZINC000826282348 607929800 /nfs/dbraw/zinc/92/98/00/607929800.db2.gz JYKJNUNGEIAWHY-UHFFFAOYSA-N -1 1 341.440 3.786 20 0 EHADMM Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)cc1 ZINC000826282348 607929801 /nfs/dbraw/zinc/92/98/01/607929801.db2.gz JYKJNUNGEIAWHY-UHFFFAOYSA-N -1 1 341.440 3.786 20 0 EHADMM Cc1ccc(C)c2sc(NCc3ccc(-c4nn[n-]n4)s3)nc21 ZINC000826285146 609264845 /nfs/dbraw/zinc/26/48/45/609264845.db2.gz QMNNAUIGXYRBJC-UHFFFAOYSA-N -1 1 342.453 3.767 20 0 EHADMM CC(=O)c1c(C)cc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1C ZINC001573550576 946863823 /nfs/dbraw/zinc/86/38/23/946863823.db2.gz CDKBNZLOGPTKIU-UHFFFAOYSA-N -1 1 349.803 3.588 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(F)cc(Br)c2)C1 ZINC000093996339 949173428 /nfs/dbraw/zinc/17/34/28/949173428.db2.gz WETWUEPRPGRZEL-HNNXBMFYSA-N -1 1 344.224 3.665 20 0 EHADMM COc1cc(Cl)c(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000263055975 950236843 /nfs/dbraw/zinc/23/68/43/950236843.db2.gz LTWFUOOPKHMWRQ-KOLCDFICSA-N -1 1 332.227 3.545 20 0 EHADMM CCN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1cccs1 ZINC001589736678 950546608 /nfs/dbraw/zinc/54/66/08/950546608.db2.gz KJQZDNLFGIORDH-AWEZNQCLSA-N -1 1 348.468 3.664 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccsc2Br)s1 ZINC000388532592 951334421 /nfs/dbraw/zinc/33/44/21/951334421.db2.gz KZXMHMYRZBPFOE-UHFFFAOYSA-N -1 1 332.244 3.560 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000577184318 953694400 /nfs/dbraw/zinc/69/44/00/953694400.db2.gz NNDZNMCTACEHDY-UHFFFAOYSA-N -1 1 347.846 3.603 20 0 EHADMM CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC001589196142 956608911 /nfs/dbraw/zinc/60/89/11/956608911.db2.gz DHTFLANDQXDHCQ-UHFFFAOYSA-N -1 1 347.798 3.526 20 0 EHADMM Cc1cc(NC(=O)c2ccc(CN3CCCCC3)o2)ccc1C(=O)[O-] ZINC000909222195 957009019 /nfs/dbraw/zinc/00/90/19/957009019.db2.gz DCESQCWXPUVSMV-UHFFFAOYSA-N -1 1 342.395 3.524 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)ccc2OC(F)F)C1 ZINC000923471687 957121535 /nfs/dbraw/zinc/12/15/35/957121535.db2.gz YIQYOBJPQYXXCM-MRXNPFEDSA-N -1 1 331.334 3.504 20 0 EHADMM COc1cccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1Cl ZINC001594128469 958650326 /nfs/dbraw/zinc/65/03/26/958650326.db2.gz RMBPWXRRPNRJFJ-QGZVFWFLSA-N -1 1 331.799 3.533 20 0 EHADMM CC(C)CN(Cc1ccc(C(=O)[O-])cc1Br)C1CC1 ZINC000226725271 959897607 /nfs/dbraw/zinc/89/76/07/959897607.db2.gz RBJWNFJOQHHEAO-UHFFFAOYSA-N -1 1 326.234 3.768 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(Br)cc1 ZINC000235526055 960452734 /nfs/dbraw/zinc/45/27/34/960452734.db2.gz MXGCXHRDOWEANN-VIFPVBQESA-N -1 1 338.201 3.900 20 0 EHADMM CC(C)(C)OC(=O)c1ccc(CNCc2ccc(C(=O)[O-])cc2)s1 ZINC001588731324 961088432 /nfs/dbraw/zinc/08/84/32/961088432.db2.gz BXQDTIBNTDCCHZ-UHFFFAOYSA-N -1 1 347.436 3.691 20 0 EHADMM Cc1c([C@H](C)NCc2ccc(-c3ccccc3C(=O)[O-])o2)cnn1C ZINC001332432644 961574105 /nfs/dbraw/zinc/57/41/05/961574105.db2.gz GDPXOBJUUMDSSX-LBPRGKRZSA-N -1 1 339.395 3.538 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Cl)ccc2Br)[C@@H](C(=O)[O-])C1 ZINC000311585137 963494085 /nfs/dbraw/zinc/49/40/85/963494085.db2.gz PLTFLNHWCRKASL-NOZJJQNGSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315832968 963940110 /nfs/dbraw/zinc/94/01/10/963940110.db2.gz BWZKVLHSOSWECA-SDBXPKJASA-N -1 1 339.716 3.879 20 0 EHADMM Cc1c(CN[C@H](C(=O)[O-])c2ccccc2)sc2nc(C)nc(C)c12 ZINC000840996259 969219883 /nfs/dbraw/zinc/21/98/83/969219883.db2.gz RGTSPFBZFXUGER-INIZCTEOSA-N -1 1 341.436 3.532 20 0 EHADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1 ZINC000538008527 1032079698 /nfs/dbraw/zinc/07/96/98/1032079698.db2.gz RSUVWPXMSZIYMI-UHFFFAOYSA-N -1 1 349.456 3.655 20 0 EHADMM O=C([O-])c1csc(CNCc2csc(Br)c2)c1 ZINC000397354863 972993812 /nfs/dbraw/zinc/99/38/12/972993812.db2.gz DRLCEGKYSMPGIR-UHFFFAOYSA-N -1 1 332.244 3.560 20 0 EHADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000460828373 1032083095 /nfs/dbraw/zinc/08/30/95/1032083095.db2.gz KKFJGWRJQVBFSM-UHFFFAOYSA-N -1 1 344.436 3.861 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccccc2OC(F)(F)F)s1 ZINC001606495373 973980414 /nfs/dbraw/zinc/98/04/14/973980414.db2.gz UWQIUGOJNKTKRK-UHFFFAOYSA-N -1 1 331.315 3.635 20 0 EHADMM Cc1cc(Br)c(CN2CC[C@@H](C(=O)[O-])[C@H]2C)cc1Cl ZINC000530166797 974360530 /nfs/dbraw/zinc/36/05/30/974360530.db2.gz VGNXXZJMDVCZTM-MWLCHTKSSA-N -1 1 346.652 3.706 20 0 EHADMM C[C@H](c1ccccc1F)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629367910 975085078 /nfs/dbraw/zinc/08/50/78/975085078.db2.gz SRSYDURBKPKFGM-LLVKDONJSA-N -1 1 334.416 3.921 20 0 EHADMM Cc1ccc(-c2nc(CN3CC[C@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000579711666 1014247885 /nfs/dbraw/zinc/24/78/85/1014247885.db2.gz HMDJYJGLGZKUME-BBRMVZONSA-N -1 1 330.453 3.661 20 0 EHADMM CCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2Cl)ccc1OC ZINC000630464152 975266395 /nfs/dbraw/zinc/26/63/95/975266395.db2.gz UKBMKEBHRNMNFF-KRWDZBQOSA-N -1 1 349.814 3.663 20 0 EHADMM CCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C12CCC2 ZINC000652440889 975533669 /nfs/dbraw/zinc/53/36/69/975533669.db2.gz FHFISHLMQDPDMZ-HOTGVXAUSA-N -1 1 337.847 3.818 20 0 EHADMM O=C([O-])C12CC(C1)CN2Cc1nc(-c2ccccc2Cl)cs1 ZINC000656760962 975689189 /nfs/dbraw/zinc/68/91/89/975689189.db2.gz NKFJCMFYXFISSS-UHFFFAOYSA-N -1 1 334.828 3.513 20 0 EHADMM CCCCc1nc2ccc(NC(=O)c3cc(C(=O)[O-])oc3C)cc2[nH]1 ZINC000659120290 975717493 /nfs/dbraw/zinc/71/74/93/975717493.db2.gz PJKLORUERHZRKB-UHFFFAOYSA-N -1 1 341.367 3.757 20 0 EHADMM CCCOc1cccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683172579 976077892 /nfs/dbraw/zinc/07/78/92/976077892.db2.gz FALGCIODJFQMFF-KRWDZBQOSA-N -1 1 335.350 3.669 20 0 EHADMM C[C@H](CN(C(=O)c1cc(Cl)c2ccccc2c1O)C1CC1)C(=O)[O-] ZINC001592562713 978451245 /nfs/dbraw/zinc/45/12/45/978451245.db2.gz IPMNVSTVSOYSIH-SNVBAGLBSA-N -1 1 347.798 3.524 20 0 EHADMM C[C@H](N[C@@H]1CCC[C@H](CCCC(=O)[O-])C1)c1nc(C(C)(C)C)no1 ZINC000901464340 980298488 /nfs/dbraw/zinc/29/84/88/980298488.db2.gz HLLUIJHZASNMQG-BFHYXJOUSA-N -1 1 337.464 3.831 20 0 EHADMM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cc(F)ccc1OC ZINC001595277436 980306484 /nfs/dbraw/zinc/30/64/84/980306484.db2.gz UKAMVVCMHYPROT-DOTOQJQBSA-N -1 1 335.350 3.840 20 0 EHADMM O=C([O-])[C@@H]1CN(Cc2cnc(C3CCC3)s2)Cc2ccccc21 ZINC000901622572 980410274 /nfs/dbraw/zinc/41/02/74/980410274.db2.gz OUYSTKJJQICAJN-MRXNPFEDSA-N -1 1 328.437 3.595 20 0 EHADMM CCC1(CC)CCCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001595374524 980884311 /nfs/dbraw/zinc/88/43/11/980884311.db2.gz FRZUCZHIIHKBQE-UHFFFAOYSA-N -1 1 332.444 3.534 20 0 EHADMM CCCC[C@@H](C(=O)[O-])N1Cc2ccc(C)c(Br)c2C1 ZINC001595630077 981813236 /nfs/dbraw/zinc/81/32/36/981813236.db2.gz UXFPCAJWSLFZDL-ZDUSSCGKSA-N -1 1 326.234 3.717 20 0 EHADMM CCCCCC[C@@](O)(CN[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001595702608 982264083 /nfs/dbraw/zinc/26/40/83/982264083.db2.gz JPXBPQXWBHYXPY-SJKOYZFVSA-N -1 1 345.842 3.916 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000026547264 1014853645 /nfs/dbraw/zinc/85/36/45/1014853645.db2.gz ZORFLGHGGBHINY-UHFFFAOYSA-N -1 1 346.235 3.941 20 0 EHADMM CCCN(Cc1cncc(C(=O)[O-])c1)[C@H](C)c1ccccc1OC ZINC001595891457 982926478 /nfs/dbraw/zinc/92/64/78/982926478.db2.gz SURDSPRNXGNTBC-CQSZACIVSA-N -1 1 328.412 3.762 20 0 EHADMM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ccc([O-])c(F)c2F)c(C)n1 ZINC000655137360 1015117952 /nfs/dbraw/zinc/11/79/52/1015117952.db2.gz UCXUBPCHOABLTO-SECBINFHSA-N -1 1 349.381 3.772 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@H](C3CCC3)CC2)c(C)c1C(=O)[O-] ZINC001599943600 985488113 /nfs/dbraw/zinc/48/81/13/985488113.db2.gz CKAROLLQOCWNJY-HOCLYGCPSA-N -1 1 346.471 3.803 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC001599960345 985769044 /nfs/dbraw/zinc/76/90/44/985769044.db2.gz JSXGGWTYAFRXNY-KRWDZBQOSA-N -1 1 346.402 3.720 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC001599961651 985793599 /nfs/dbraw/zinc/79/35/99/985793599.db2.gz WHNHLYCHGRZYAD-QGZVFWFLSA-N -1 1 346.402 3.720 20 0 EHADMM Cc1[nH]c2ccccc2c1C1=CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001599965126 985888695 /nfs/dbraw/zinc/88/86/95/985888695.db2.gz BJBIOSGFXRCBJZ-UHFFFAOYSA-N -1 1 335.407 3.792 20 0 EHADMM C[C@H]1COc2ccccc2CN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594607531 986582308 /nfs/dbraw/zinc/58/23/08/986582308.db2.gz LMTCPJPUVBECGH-AWEZNQCLSA-N -1 1 348.402 3.716 20 0 EHADMM CCOc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])c(C)c1)CCO2 ZINC001597142898 986894262 /nfs/dbraw/zinc/89/42/62/986894262.db2.gz OWYHWCFLLUJGHT-SFHVURJKSA-N -1 1 341.407 3.705 20 0 EHADMM CCSc1cccc(CNCc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001597277216 987333998 /nfs/dbraw/zinc/33/39/98/987333998.db2.gz KCIPMSWDHGEOFL-AWEZNQCLSA-N -1 1 345.464 3.940 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000655276225 1015303446 /nfs/dbraw/zinc/30/34/46/1015303446.db2.gz CXZHGTOTIUSQBW-KRWDZBQOSA-N -1 1 325.408 3.719 20 0 EHADMM CCc1ccc(C(C)(C)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1 ZINC001597511996 988095562 /nfs/dbraw/zinc/09/55/62/988095562.db2.gz NUUXSGBTNVJBSO-UHFFFAOYSA-N -1 1 337.423 3.848 20 0 EHADMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001589779930 988145836 /nfs/dbraw/zinc/14/58/36/988145836.db2.gz BSUDKAQXKPNJAF-UHFFFAOYSA-N -1 1 345.395 3.578 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCSC[C@@H]1c1ccccc1 ZINC001597766565 989215869 /nfs/dbraw/zinc/21/58/69/989215869.db2.gz WWVAMDIIUNTMHL-OAHLLOKOSA-N -1 1 331.437 3.830 20 0 EHADMM COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cc1cncc(C(=O)[O-])c1 ZINC001599704560 991272455 /nfs/dbraw/zinc/27/24/55/991272455.db2.gz RJFROFGJTYWSJN-KDOFPFPSSA-N -1 1 340.423 3.762 20 0 EHADMM O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1cncc([O-])c1 ZINC000339822674 1015703658 /nfs/dbraw/zinc/70/36/58/1015703658.db2.gz OQAGEYHTESUIEY-LJQANCHMSA-N -1 1 346.386 3.708 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1cc(C(=O)[O-])oc1C)[C@@H]2C ZINC001599627143 994165328 /nfs/dbraw/zinc/16/53/28/994165328.db2.gz SNTGYRFRFLLECY-NWDGAFQWSA-N -1 1 329.396 3.803 20 0 EHADMM C[C@@H](NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593246266 994449285 /nfs/dbraw/zinc/44/92/85/994449285.db2.gz JKTGGQNXJKIAMT-AMIZOPFISA-N -1 1 344.194 3.669 20 0 EHADMM C[C@@H](NCCOc1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC001593272009 994607781 /nfs/dbraw/zinc/60/77/81/994607781.db2.gz ONNCMADAGTYHBT-GFCCVEGCSA-N -1 1 342.420 3.724 20 0 EHADMM C[C@@H](NCc1ccc(C(F)(F)F)s1)c1cncc(C(=O)[O-])c1 ZINC001593295402 994691136 /nfs/dbraw/zinc/69/11/36/994691136.db2.gz DUHAENVNIJLHBI-MRVPVSSYSA-N -1 1 330.331 3.711 20 0 EHADMM Cc1nc([N-]S(=O)(=O)c2cccc(F)c2C)c(Cl)cc1Cl ZINC000180211544 1015883291 /nfs/dbraw/zinc/88/32/91/1015883291.db2.gz KCIZNIRKRGPWHL-UHFFFAOYSA-N -1 1 349.214 3.945 20 0 EHADMM C[C@@](NCc1ccc(F)cn1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593299909 994726898 /nfs/dbraw/zinc/72/68/98/994726898.db2.gz YDIYEYSKCAGAIE-HNNXBMFYSA-N -1 1 343.185 3.617 20 0 EHADMM COC[C@@H](NCc1csc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001599176095 996845364 /nfs/dbraw/zinc/84/53/64/996845364.db2.gz CKFQZEQYICILSL-CYBMUJFWSA-N -1 1 325.817 3.577 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(Cc1coc3ccccc13)CC2 ZINC001599498326 997059307 /nfs/dbraw/zinc/05/93/07/997059307.db2.gz JFMHANITQUKTMD-UHFFFAOYSA-N -1 1 337.375 3.698 20 0 EHADMM CO[C@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@H](C)C1 ZINC001599122745 997769466 /nfs/dbraw/zinc/76/94/66/997769466.db2.gz FKYWCZVBMDKNMG-WBMJQRKESA-N -1 1 346.452 3.508 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)Cc2ccccc2Cl)c1 ZINC001625849689 1016209777 /nfs/dbraw/zinc/20/97/77/1016209777.db2.gz OJQPQWUURKJNLV-LBPRGKRZSA-N -1 1 331.799 3.528 20 0 EHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ncc(-c2ccccc2F)o1 ZINC001594210991 998821305 /nfs/dbraw/zinc/82/13/05/998821305.db2.gz YGNNFHSOHYPYLB-VXGBXAGGSA-N -1 1 332.375 3.554 20 0 EHADMM COCCn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000182867206 1032145154 /nfs/dbraw/zinc/14/51/54/1032145154.db2.gz RBBXBVXRGSNRGB-UHFFFAOYSA-N -1 1 344.798 3.899 20 0 EHADMM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C(=O)c1ccc(Cl)s1 ZINC000430309520 1016270521 /nfs/dbraw/zinc/27/05/21/1016270521.db2.gz WHCNCOUDFRGDRF-UHFFFAOYSA-N -1 1 349.717 3.947 20 0 EHADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594447958 999642171 /nfs/dbraw/zinc/64/21/71/999642171.db2.gz LLVDHFJVHDDSGI-ADLMAVQZSA-N -1 1 349.390 3.566 20 0 EHADMM Cc1cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c(C)n1C(C)C ZINC000340231907 1016743595 /nfs/dbraw/zinc/74/35/95/1016743595.db2.gz TWGINEIGMMGBJP-UHFFFAOYSA-N -1 1 328.441 3.812 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2o1 ZINC000120419198 1016820873 /nfs/dbraw/zinc/82/08/73/1016820873.db2.gz FQISUSLBYVJSMH-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM CCc1cc(=O)[nH]c(C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)n1 ZINC000120443020 1016825456 /nfs/dbraw/zinc/82/54/56/1016825456.db2.gz LVXXMBFORAUHAP-UHFFFAOYSA-N -1 1 343.471 3.804 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000188086940 1016897255 /nfs/dbraw/zinc/89/72/55/1016897255.db2.gz SZHGOOQAOQURCO-NZWMYCLXSA-N -1 1 346.496 3.598 20 0 EHADMM CN(CCc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180429710 1016905505 /nfs/dbraw/zinc/90/55/05/1016905505.db2.gz VKASMIUNXSTVKI-UHFFFAOYSA-N -1 1 341.304 3.865 20 0 EHADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc([O-])cc1F ZINC000181075571 1016912801 /nfs/dbraw/zinc/91/28/01/1016912801.db2.gz VEOIVQJEGWWVOS-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM COc1ccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1F ZINC000182058301 1017051245 /nfs/dbraw/zinc/05/12/45/1017051245.db2.gz LKPIWJCNEFKDNT-UHFFFAOYSA-N -1 1 343.276 3.835 20 0 EHADMM [O-]c1ccc(Cc2nc(COc3ccc(F)cc3)no2)cc1Cl ZINC000904663333 1032188499 /nfs/dbraw/zinc/18/84/99/1032188499.db2.gz WPRWFJYIVXBRDC-UHFFFAOYSA-N -1 1 334.734 3.738 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1cc2ccccc2o1 ZINC000528499344 1032360568 /nfs/dbraw/zinc/36/05/68/1032360568.db2.gz JKIHVVKLLSBSOK-SFHVURJKSA-N -1 1 342.420 3.648 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1C ZINC000536991374 1032465171 /nfs/dbraw/zinc/46/51/71/1032465171.db2.gz LPOHSZUISREBAT-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM CCn1c(C(C)C)n[n-]c1=N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000460215116 1032681395 /nfs/dbraw/zinc/68/13/95/1032681395.db2.gz QMKGYLOHMKITEJ-WFASDCNBSA-N -1 1 336.867 3.685 20 0 EHADMM CSc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000537414768 1032715016 /nfs/dbraw/zinc/71/50/16/1032715016.db2.gz TWYCWUHBDZAXMT-NSHDSACASA-N -1 1 349.481 3.640 20 0 EHADMM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(Br)o2)c(F)c1 ZINC000340528801 1018223186 /nfs/dbraw/zinc/22/31/86/1018223186.db2.gz AGCCNWCBINGLRP-UHFFFAOYSA-N -1 1 344.111 3.775 20 0 EHADMM COc1ccc(OCc2nc(=O)c3c4ccccc4sc3[n-]2)cc1 ZINC000063580092 1018424727 /nfs/dbraw/zinc/42/47/27/1018424727.db2.gz UAKZZDXSPLZZTL-UHFFFAOYSA-N -1 1 338.388 3.725 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115221428 1018428559 /nfs/dbraw/zinc/42/85/59/1018428559.db2.gz CXZNONXKCAQKGO-UHFFFAOYSA-N -1 1 349.789 3.868 20 0 EHADMM O=C1N[C@@H](c2cc(F)c([O-])c(F)c2)Nc2c3ccccc3sc21 ZINC000175927582 1019003688 /nfs/dbraw/zinc/00/36/88/1019003688.db2.gz YTCFOUUHAPJUBC-HNNXBMFYSA-N -1 1 332.331 3.739 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c1 ZINC000433520194 1019040761 /nfs/dbraw/zinc/04/07/61/1019040761.db2.gz YHLOFOLJVJWKLY-UHFFFAOYSA-N -1 1 335.494 3.955 20 0 EHADMM O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccc([O-])c(F)c1 ZINC000683880890 1019075540 /nfs/dbraw/zinc/07/55/40/1019075540.db2.gz BXYALFKCKYEVPI-UHFFFAOYSA-N -1 1 331.309 3.916 20 0 EHADMM O=C([O-])[C@]1(NCc2ccsc2Cl)CCc2c1cccc2F ZINC000340673412 1019151967 /nfs/dbraw/zinc/15/19/67/1019151967.db2.gz IOOFDPZTDLIFNH-HNNXBMFYSA-N -1 1 325.792 3.557 20 0 EHADMM CC[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000729082676 1019185973 /nfs/dbraw/zinc/18/59/73/1019185973.db2.gz YDVWBSVVIQZTNM-AWEZNQCLSA-N -1 1 347.436 3.751 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000891337310 1020172529 /nfs/dbraw/zinc/17/25/29/1020172529.db2.gz RIQOZXADEKOPDV-SJORKVTESA-N -1 1 339.435 3.824 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1nc(C)cs1 ZINC000340817552 1020202404 /nfs/dbraw/zinc/20/24/04/1020202404.db2.gz METWGCTYNXFVAY-NSHDSACASA-N -1 1 348.852 3.674 20 0 EHADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1nc(C)cs1 ZINC000340817545 1020203644 /nfs/dbraw/zinc/20/36/44/1020203644.db2.gz METWGCTYNXFVAY-LLVKDONJSA-N -1 1 348.852 3.674 20 0 EHADMM COc1ccc2c(c1)CCCN([C@H](C)c1cc(C(=O)[O-])c(C)o1)C2 ZINC000581017855 1020362683 /nfs/dbraw/zinc/36/26/83/1020362683.db2.gz YVIGKGFUYQIHNB-GFCCVEGCSA-N -1 1 329.396 3.804 20 0 EHADMM CC(C)CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058761894 1032927337 /nfs/dbraw/zinc/92/73/37/1032927337.db2.gz LYZLSCIXOQPXGI-UHFFFAOYSA-N -1 1 347.436 3.690 20 0 EHADMM CCc1ccc(C(=O)N2CCCc3c(NC(C)=O)cccc32)c([O-])c1 ZINC000276168783 1020803589 /nfs/dbraw/zinc/80/35/89/1020803589.db2.gz GXKVNWWRKKMNCH-UHFFFAOYSA-N -1 1 338.407 3.506 20 0 EHADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)CC[C@@H]1C(F)(F)F ZINC000581456446 1020929789 /nfs/dbraw/zinc/92/97/89/1020929789.db2.gz GDYTXLYAARNRGK-JTQLQIEISA-N -1 1 337.288 3.721 20 0 EHADMM COc1ccc(OCCCSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000581457791 1020930106 /nfs/dbraw/zinc/93/01/06/1020930106.db2.gz MOBSNCSABCDXRH-UHFFFAOYSA-N -1 1 342.367 3.690 20 0 EHADMM COc1cc(C(=O)Nc2ccc(F)c(C(C)=O)c2)cc(Cl)c1[O-] ZINC000341105032 1020982657 /nfs/dbraw/zinc/98/26/57/1020982657.db2.gz ORICMMDYKJNOHK-UHFFFAOYSA-N -1 1 337.734 3.648 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@H](C)c3cccc(F)c3)[nH][n-]2)s1 ZINC000439143011 1021177757 /nfs/dbraw/zinc/17/77/57/1021177757.db2.gz SOPLZMHOAXQPHB-LLVKDONJSA-N -1 1 329.400 3.750 20 0 EHADMM COc1cc(-c2nc(-c3c(C)nsc3C)no2)cc(Cl)c1[O-] ZINC000436789650 1021232620 /nfs/dbraw/zinc/23/26/20/1021232620.db2.gz FQUVODIQYWYYLN-UHFFFAOYSA-N -1 1 337.788 3.845 20 0 EHADMM CC(C)(C)Oc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)nc1 ZINC000436790876 1021233218 /nfs/dbraw/zinc/23/32/18/1021233218.db2.gz JBHYAKVQIXKKAB-UHFFFAOYSA-N -1 1 329.331 3.821 20 0 EHADMM CCCc1c(NC(=O)c2cc(F)ccc2[O-])cnn1-c1ccccc1 ZINC000436796741 1021242487 /nfs/dbraw/zinc/24/24/87/1021242487.db2.gz KRBTWLMZWMNSED-UHFFFAOYSA-N -1 1 339.370 3.922 20 0 EHADMM Cc1c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])cc2nn1C ZINC000436831498 1021265422 /nfs/dbraw/zinc/26/54/22/1021265422.db2.gz GQHMVQFJDRXCIF-UHFFFAOYSA-N -1 1 349.312 3.858 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])c2ccccc2O1 ZINC000436821445 1021274032 /nfs/dbraw/zinc/27/40/32/1021274032.db2.gz WQGHUEUBQNAVNY-SNVBAGLBSA-N -1 1 337.297 3.839 20 0 EHADMM CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000436838568 1021282681 /nfs/dbraw/zinc/28/26/81/1021282681.db2.gz JJZGVOMEJGTPTB-HZPDHXFCSA-N -1 1 327.424 3.869 20 0 EHADMM CCC(CC)n1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)n1 ZINC000656768070 1021306234 /nfs/dbraw/zinc/30/62/34/1021306234.db2.gz UNWAIVUYCRZGIZ-OKZBNKHCSA-N -1 1 333.476 3.710 20 0 EHADMM CCOc1cc(-c2noc([C@@H](OC)C(C)C)n2)cc(Cl)c1[O-] ZINC000436867196 1021306543 /nfs/dbraw/zinc/30/65/43/1021306543.db2.gz BFUBCVXRCVQUAK-ZDUSSCGKSA-N -1 1 326.780 3.838 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ccc(OC(F)F)cn3)n2)c(Cl)c1 ZINC000436874034 1021317346 /nfs/dbraw/zinc/31/73/46/1021317346.db2.gz RXIJSEBSEIUOFJ-UHFFFAOYSA-N -1 1 339.685 3.759 20 0 EHADMM CN(C)[C@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccc(Cl)c1 ZINC000436880873 1021330113 /nfs/dbraw/zinc/33/01/13/1021330113.db2.gz UDTDKJFSPOCCNX-HNNXBMFYSA-N -1 1 347.777 3.886 20 0 EHADMM [O-]c1ccc(-c2noc(-c3ncsc3C(F)(F)F)n2)cc1F ZINC000436880427 1021332854 /nfs/dbraw/zinc/33/28/54/1021332854.db2.gz QUVQOUQHOMCMDW-UHFFFAOYSA-N -1 1 331.250 3.724 20 0 EHADMM COc1ccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)c([O-])c1 ZINC000436884094 1021336504 /nfs/dbraw/zinc/33/65/04/1021336504.db2.gz JJEULOAGSJBITM-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM COc1ccc(-c2nc(Cc3ccccc3OC(F)F)no2)c([O-])c1 ZINC000436892173 1021342531 /nfs/dbraw/zinc/34/25/31/1021342531.db2.gz IHTLFPUHSHHFKO-UHFFFAOYSA-N -1 1 348.305 3.643 20 0 EHADMM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000436891232 1021342564 /nfs/dbraw/zinc/34/25/64/1021342564.db2.gz 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EHADMM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2ccccc2c1[O-] ZINC000436992062 1021445688 /nfs/dbraw/zinc/44/56/88/1021445688.db2.gz TYEVRWUWSSWHNA-UHFFFAOYSA-N -1 1 343.423 3.739 20 0 EHADMM CC1(C)CC[C@@H]2C[C@@H](NC(=O)C(=O)c3ccc([O-])cc3)c3cccc1c32 ZINC000436995769 1021453396 /nfs/dbraw/zinc/45/33/96/1021453396.db2.gz IUYIZYCGFWGZSE-RDTXWAMCSA-N -1 1 349.430 3.991 20 0 EHADMM COc1ccccc1-c1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436995726 1021454011 /nfs/dbraw/zinc/45/40/11/1021454011.db2.gz BWDGAWQGEIAZOZ-UHFFFAOYSA-N -1 1 347.370 3.889 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894387421 1021653960 /nfs/dbraw/zinc/65/39/60/1021653960.db2.gz YQZQMBPPXVVWSC-XPTSAGLGSA-N -1 1 333.737 3.850 20 0 EHADMM O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cncc([O-])c1 ZINC000519845849 1021720443 /nfs/dbraw/zinc/72/04/43/1021720443.db2.gz UHWQJOWZLVFLIQ-UHFFFAOYSA-N -1 1 332.787 3.872 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccsc2)cc1Cl ZINC000506687846 1021734972 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Cc1ccc(Nc2nc(C[N@@H+]3C[C@@H](C)[C@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000517161650 1022079368 /nfs/dbraw/zinc/07/93/68/1022079368.db2.gz YIBLPBYKHWVZBO-FZKQIMNGSA-N -1 1 345.468 3.738 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C)cc2Cl)c1 ZINC000520411646 1022218208 /nfs/dbraw/zinc/21/82/08/1022218208.db2.gz AGUPMQUQYPCWMZ-QGZVFWFLSA-N -1 1 333.815 3.963 20 0 EHADMM C[C@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000519548959 1022329043 /nfs/dbraw/zinc/32/90/43/1022329043.db2.gz PGYKSVBSDCTBQE-QWHCGFSZSA-N -1 1 330.453 3.986 20 0 EHADMM Cc1ccc(C(=O)NC2CC2)cc1NCc1cccc([O-])c1Cl ZINC000293265741 1022764735 /nfs/dbraw/zinc/76/47/35/1022764735.db2.gz NCCZSRKEZUODLC-UHFFFAOYSA-N -1 1 330.815 3.858 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c1 ZINC000188563145 1022826301 /nfs/dbraw/zinc/82/63/01/1022826301.db2.gz SLNONWSXDMCPLW-UHFFFAOYSA-N -1 1 341.379 3.746 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c1 ZINC000188561553 1022827502 /nfs/dbraw/zinc/82/75/02/1022827502.db2.gz DUWWPFVRQIRIQZ-UHFFFAOYSA-N -1 1 339.363 3.802 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000426673751 1022891822 /nfs/dbraw/zinc/89/18/22/1022891822.db2.gz ZOBZGFZAYOOXQK-INIZCTEOSA-N -1 1 345.443 3.646 20 0 EHADMM Cc1ccsc1-c1nc(=NC(=O)N2CCc3ccccc32)s[n-]1 ZINC000473827093 1022894740 /nfs/dbraw/zinc/89/47/40/1022894740.db2.gz GWHXZUORPXDJAL-UHFFFAOYSA-N -1 1 342.449 3.592 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000438726508 1022957787 /nfs/dbraw/zinc/95/77/87/1022957787.db2.gz QNNWLEMLLIQXOW-UHFFFAOYSA-N -1 1 339.844 3.986 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000438754199 1022978678 /nfs/dbraw/zinc/97/86/78/1022978678.db2.gz CILRRHHQJHOURZ-UHFFFAOYSA-N -1 1 347.415 3.866 20 0 EHADMM Cc1cc(C)cc([C@@H](NCc2cc(Cl)cc3c2OCC3)C(=O)[O-])c1 ZINC000426751001 1023021220 /nfs/dbraw/zinc/02/12/20/1023021220.db2.gz RTCRERDPRVLBOY-QGZVFWFLSA-N -1 1 345.826 3.807 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000438811131 1023023359 /nfs/dbraw/zinc/02/33/59/1023023359.db2.gz LOMZCZFOKNCPQQ-UHFFFAOYSA-N -1 1 337.416 3.860 20 0 EHADMM CSc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000426806094 1023045576 /nfs/dbraw/zinc/04/55/76/1023045576.db2.gz ABYOMORJUNEWLQ-INIZCTEOSA-N -1 1 337.391 3.992 20 0 EHADMM CCCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000426808188 1023045648 /nfs/dbraw/zinc/04/56/48/1023045648.db2.gz QIVVOULZHMNMTM-SFHVURJKSA-N -1 1 347.386 3.539 20 0 EHADMM Cc1ccccc1[C@H](CC(=O)[O-])NCc1nc2c(s1)C[C@H](C)CC2 ZINC000426787762 1023048069 /nfs/dbraw/zinc/04/80/69/1023048069.db2.gz HOGSBWHESOCVNJ-WBMJQRKESA-N -1 1 344.480 3.882 20 0 EHADMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2csc(=NC3CC3)[nH]2)C1 ZINC000426836182 1023083355 /nfs/dbraw/zinc/08/33/55/1023083355.db2.gz KUPIYVHCOZQXMA-MEDUHNTESA-N -1 1 345.443 3.502 20 0 EHADMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000426836182 1023083363 /nfs/dbraw/zinc/08/33/63/1023083363.db2.gz KUPIYVHCOZQXMA-MEDUHNTESA-N -1 1 345.443 3.502 20 0 EHADMM O=C(Nc1ccc(CNc2ccccc2)cc1)C(=O)c1ccc([O-])cc1 ZINC000438919741 1023142125 /nfs/dbraw/zinc/14/21/25/1023142125.db2.gz OBIXXSUYEKZFGC-UHFFFAOYSA-N -1 1 346.386 3.826 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc3c(cc(C)cc3C)[nH]2)o1 ZINC000426776080 1023158166 /nfs/dbraw/zinc/15/81/66/1023158166.db2.gz FIDZEROZBQEYJU-KRWDZBQOSA-N -1 1 326.396 3.992 20 0 EHADMM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1ncccc1[O-] ZINC000427141815 1023237114 /nfs/dbraw/zinc/23/71/14/1023237114.db2.gz APGRUPOFIRTXSA-SECBINFHSA-N -1 1 337.206 3.854 20 0 EHADMM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000439055763 1023244407 /nfs/dbraw/zinc/24/44/07/1023244407.db2.gz IKXWGLIKOLHHLE-DYVFJYSZSA-N -1 1 345.826 3.943 20 0 EHADMM CCOc1cc(-c2nc(CCC(F)(F)F)no2)cc(Cl)c1[O-] ZINC000276912693 1023344295 /nfs/dbraw/zinc/34/42/95/1023344295.db2.gz LDAFWVWUVNNPLH-UHFFFAOYSA-N -1 1 336.697 3.989 20 0 EHADMM Cc1nc(CNCc2ccc(SC(F)F)cc2)ccc1C(=O)[O-] ZINC000277123211 1023803301 /nfs/dbraw/zinc/80/33/01/1023803301.db2.gz BBTMVKNSLBOOEC-UHFFFAOYSA-N -1 1 338.379 3.693 20 0 EHADMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CCC(F)(F)CC1 ZINC000897775465 1033163020 /nfs/dbraw/zinc/16/30/20/1033163020.db2.gz PZXBQWKVCYLARK-UHFFFAOYSA-N -1 1 335.350 3.901 20 0 EHADMM C[C@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1(F)F ZINC000657158714 1023822662 /nfs/dbraw/zinc/82/26/62/1023822662.db2.gz HVFSKEYMQIKWRQ-NSHDSACASA-N -1 1 344.210 3.707 20 0 EHADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)c(C)s1)C(F)(F)F ZINC000443946048 1024143457 /nfs/dbraw/zinc/14/34/57/1024143457.db2.gz XMODBULTFGNSAU-HQJQHLMTSA-N -1 1 329.409 3.620 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(F)ccc1[O-] ZINC000094130392 1024217531 /nfs/dbraw/zinc/21/75/31/1024217531.db2.gz YCOHQZXTBBSWPQ-DIFFPNOSSA-N -1 1 349.789 3.787 20 0 EHADMM Cc1csc(Sc2ccc(NC(=O)c3cncc([O-])c3)cc2)n1 ZINC000346214240 1024505636 /nfs/dbraw/zinc/50/56/36/1024505636.db2.gz FOLFLYGGLVCDRJ-UHFFFAOYSA-N -1 1 343.433 3.956 20 0 EHADMM CCn1nc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c2ccccc21 ZINC000277303394 1024526928 /nfs/dbraw/zinc/52/69/28/1024526928.db2.gz MYYOXRKHJGOHRR-AUUYWEPGSA-N -1 1 337.423 3.608 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c(C)s1 ZINC000434969610 1024532459 /nfs/dbraw/zinc/53/24/59/1024532459.db2.gz ZPPWQOLSVDHKSL-UHFFFAOYSA-N -1 1 333.438 3.556 20 0 EHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccc(N2CCCC2)c1 ZINC000281073719 1024629717 /nfs/dbraw/zinc/62/97/17/1024629717.db2.gz TXVNBVSHHOZCIA-LBPRGKRZSA-N -1 1 346.377 3.762 20 0 EHADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1sc(C)cc1C)C(F)(F)F ZINC000431573010 1033235288 /nfs/dbraw/zinc/23/52/88/1033235288.db2.gz ZMXWJVZXLQOFKH-GMSGAONNSA-N -1 1 329.409 3.620 20 0 EHADMM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1cccc2ccccc21 ZINC000328128291 1024841478 /nfs/dbraw/zinc/84/14/78/1024841478.db2.gz ZBVDRECPAIUDKM-UHFFFAOYSA-N -1 1 349.415 3.826 20 0 EHADMM CCC1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000435433909 1024904750 /nfs/dbraw/zinc/90/47/50/1024904750.db2.gz VEPATFNNUJJYIS-UHFFFAOYSA-N -1 1 326.220 3.601 20 0 EHADMM COc1ccc([C@H](C)CC(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000428027709 1024948542 /nfs/dbraw/zinc/94/85/42/1024948542.db2.gz OQTYEXGKTYEMRL-GFCCVEGCSA-N -1 1 341.436 3.701 20 0 EHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1 ZINC000071965827 1024972904 /nfs/dbraw/zinc/97/29/04/1024972904.db2.gz PFSNDOLXSFGECR-GFCCVEGCSA-N -1 1 329.425 3.877 20 0 EHADMM CCOc1cc(-c2noc(-c3cncnc3CC)n2)cc(Cl)c1[O-] ZINC000896203841 1025235411 /nfs/dbraw/zinc/23/54/11/1025235411.db2.gz IHXGFUKVZGGXCB-UHFFFAOYSA-N -1 1 346.774 3.514 20 0 EHADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000435981624 1025269068 /nfs/dbraw/zinc/26/90/68/1025269068.db2.gz VFWITVFFTCXCMF-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM CCNc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505765482 1025434104 /nfs/dbraw/zinc/43/41/04/1025434104.db2.gz JPOSQNMUIUSJPM-UHFFFAOYSA-N -1 1 348.786 3.516 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)cc1 ZINC000014256640 1025459403 /nfs/dbraw/zinc/45/94/03/1025459403.db2.gz DHRZZCZCLKYTQL-ZDUSSCGKSA-N -1 1 347.436 3.788 20 0 EHADMM CC[C@@H](CC(F)(F)F)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442802193 1025493864 /nfs/dbraw/zinc/49/38/64/1025493864.db2.gz PBSRCCYIRNFQGR-QMMMGPOBSA-N -1 1 325.714 3.515 20 0 EHADMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2O1 ZINC000442845124 1025517118 /nfs/dbraw/zinc/51/71/18/1025517118.db2.gz MRDRDJQCFCCJCX-MRXNPFEDSA-N -1 1 337.372 3.524 20 0 EHADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3C)cc2O1 ZINC000442845958 1025518957 /nfs/dbraw/zinc/51/89/57/1025518957.db2.gz ITVSGQCQQJVUKR-KRWDZBQOSA-N -1 1 333.409 3.693 20 0 EHADMM COc1cccc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000442868226 1025540108 /nfs/dbraw/zinc/54/01/08/1025540108.db2.gz NHWALGKEFGRVII-JTQLQIEISA-N -1 1 335.787 3.554 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c1 ZINC000042007173 1025559252 /nfs/dbraw/zinc/55/92/52/1025559252.db2.gz UXHQRGCYRVUMMY-UHFFFAOYSA-N -1 1 345.342 3.737 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1sccc1Cl ZINC000451148061 1025602605 /nfs/dbraw/zinc/60/26/05/1025602605.db2.gz ORIOIJLKXDYWDF-GFCCVEGCSA-N -1 1 343.857 3.594 20 0 EHADMM COc1cc(C(=O)N2CCC(c3ccco3)CC2)cc(Cl)c1[O-] ZINC000617380079 1025736732 /nfs/dbraw/zinc/73/67/32/1025736732.db2.gz WDLQYWIPODQJJI-UHFFFAOYSA-N -1 1 335.787 3.667 20 0 EHADMM COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000443122103 1025739260 /nfs/dbraw/zinc/73/92/60/1025739260.db2.gz FSTWPPRGNMAPRT-MRVPVSSYSA-N -1 1 341.741 3.823 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2ccc(Cl)cc2)c1 ZINC000436507582 1025798483 /nfs/dbraw/zinc/79/84/83/1025798483.db2.gz WYOSPWMYJKJULM-LLVKDONJSA-N -1 1 347.798 3.650 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)c2ccc(F)cc2F)c1 ZINC000436511489 1025805953 /nfs/dbraw/zinc/80/59/53/1025805953.db2.gz WRZCIQVLFASZSQ-SNVBAGLBSA-N -1 1 349.333 3.589 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc3ccsc32)c1 ZINC000436516843 1025813877 /nfs/dbraw/zinc/81/38/77/1025813877.db2.gz XDYBYAKTJDRGOY-UHFFFAOYSA-N -1 1 327.361 3.646 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)Cc2cccc(F)c2)c1 ZINC000436515766 1025814820 /nfs/dbraw/zinc/81/48/20/1025814820.db2.gz SWOWUXHXKSDJLU-GFCCVEGCSA-N -1 1 345.370 3.525 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000436516723 1025815243 /nfs/dbraw/zinc/81/52/43/1025815243.db2.gz VJFKIJGLCPGLII-ZDUSSCGKSA-N -1 1 349.789 3.868 20 0 EHADMM CS[C@H](C)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451345120 1025817754 /nfs/dbraw/zinc/81/77/54/1025817754.db2.gz KSGUXGJVAXPSKS-MRVPVSSYSA-N -1 1 335.903 3.585 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(C(F)F)cc1 ZINC000342489114 1025835878 /nfs/dbraw/zinc/83/58/78/1025835878.db2.gz IZVUJJACGPRCOP-UHFFFAOYSA-N -1 1 349.362 3.815 20 0 EHADMM CCSCC[C@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436536376 1025845537 /nfs/dbraw/zinc/84/55/37/1025845537.db2.gz UYRZSKAOTZXDLY-JTQLQIEISA-N -1 1 331.865 3.658 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)c2ccccc2C)c1 ZINC000436516158 1025846997 /nfs/dbraw/zinc/84/69/97/1025846997.db2.gz UTHWUOUYDQZGGZ-CYBMUJFWSA-N -1 1 327.380 3.620 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)CCCc2cc(C)sc2C)c1 ZINC000436517428 1025848160 /nfs/dbraw/zinc/84/81/60/1025848160.db2.gz ZQYGHPAQHOTJBX-UHFFFAOYSA-N -1 1 347.436 3.819 20 0 EHADMM COc1cc(C(=O)N[C@H](C)COc2cccc(C)c2)cc(Cl)c1[O-] ZINC000443310396 1025897954 /nfs/dbraw/zinc/89/79/54/1025897954.db2.gz JBVXRBQDMJWFRU-GFCCVEGCSA-N -1 1 349.814 3.560 20 0 EHADMM O=C(NCc1ncoc1-c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000436591889 1025907889 /nfs/dbraw/zinc/90/78/89/1025907889.db2.gz YMDWOVDGUGGPDY-UHFFFAOYSA-N -1 1 328.755 3.631 20 0 EHADMM O=C(NCc1ccn(C2CCCC2)n1)c1cc2ccccc2cc1[O-] ZINC000436596598 1025913209 /nfs/dbraw/zinc/91/32/09/1025913209.db2.gz RCUBLGQYFONARO-UHFFFAOYSA-N -1 1 335.407 3.787 20 0 EHADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3ccccc3c2[O-])C12CCC2 ZINC000436596706 1025914410 /nfs/dbraw/zinc/91/44/10/1025914410.db2.gz NHDVBABZAXZVPU-QZTJIDSGSA-N -1 1 339.435 3.965 20 0 EHADMM Cc1cnc(C(C)(C)NC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000436587143 1025927017 /nfs/dbraw/zinc/92/70/17/1025927017.db2.gz VRCLYEXSKODUOG-UHFFFAOYSA-N -1 1 326.421 3.975 20 0 EHADMM CCc1nc(C)c(NC(=O)c2cc(Br)ccc2[O-])s1 ZINC000436641810 1025988261 /nfs/dbraw/zinc/98/82/61/1025988261.db2.gz OZXDYKUGYKHQKC-UHFFFAOYSA-N -1 1 341.230 3.734 20 0 EHADMM C[C@@H]1CCCc2cc(-c3noc(-c4ccc([O-])cc4F)n3)c(=O)[nH]c21 ZINC000896769232 1025988924 /nfs/dbraw/zinc/98/89/24/1025988924.db2.gz HKXMYHIVVWEULO-SECBINFHSA-N -1 1 341.342 3.789 20 0 EHADMM CO[C@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1(C)C ZINC000516091254 1025991766 /nfs/dbraw/zinc/99/17/66/1025991766.db2.gz HEEIQUHDOJMMQV-JSGCOSHPSA-N -1 1 346.254 3.866 20 0 EHADMM O=C(NC1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1[O-] ZINC000436668594 1026007966 /nfs/dbraw/zinc/00/79/66/1026007966.db2.gz CYQQAUHXSRTTTM-UHFFFAOYSA-N -1 1 346.430 3.944 20 0 EHADMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436689525 1026045985 /nfs/dbraw/zinc/04/59/85/1026045985.db2.gz FAPDRVCKUXFOEV-SECBINFHSA-N -1 1 341.741 3.521 20 0 EHADMM CC[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)CC[C@@H]1c1ccccc1 ZINC000436701429 1026062394 /nfs/dbraw/zinc/06/23/94/1026062394.db2.gz DKWSYBTZROAGRP-BEFAXECRSA-N -1 1 337.419 3.617 20 0 EHADMM O=C(Nc1ccc(N2CCCC2)nc1)c1ccc2ccccc2c1[O-] ZINC000436743538 1026114830 /nfs/dbraw/zinc/11/48/30/1026114830.db2.gz YNRDLWSXCXHBSM-UHFFFAOYSA-N -1 1 333.391 3.793 20 0 EHADMM C[C@H]1CCSCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000516187409 1026123421 /nfs/dbraw/zinc/12/34/21/1026123421.db2.gz DCEFRCHCRBPYDG-LBPRGKRZSA-N -1 1 348.493 3.836 20 0 EHADMM COC(=O)c1ccc(CN(C)C(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000030210579 1026153027 /nfs/dbraw/zinc/15/30/27/1026153027.db2.gz KYVIUBDTQQTHFM-UHFFFAOYSA-N -1 1 349.386 3.604 20 0 EHADMM O=C(NCCc1ccccc1F)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869948 1026242811 /nfs/dbraw/zinc/24/28/11/1026242811.db2.gz BQXFRDOBJGHKCM-UHFFFAOYSA-N -1 1 327.277 3.523 20 0 EHADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871587 1026261682 /nfs/dbraw/zinc/26/16/82/1026261682.db2.gz MZYJPAGAVISVKV-NHYWBVRUSA-N -1 1 345.361 3.736 20 0 EHADMM O=C(NCCc1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877817 1026300214 /nfs/dbraw/zinc/30/02/14/1026300214.db2.gz YJZJBTIHBNULNM-UHFFFAOYSA-N -1 1 348.324 3.865 20 0 EHADMM O=S(=O)([N-]CCc1cc2ccccc2o1)c1cc2ccccc2o1 ZINC000531248850 1026731672 /nfs/dbraw/zinc/73/16/72/1026731672.db2.gz MBBRJSNHBWQTDF-UHFFFAOYSA-N -1 1 341.388 3.700 20 0 EHADMM Cc1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1C ZINC000301328256 1026763473 /nfs/dbraw/zinc/76/34/73/1026763473.db2.gz CIGAIKWPWJQAIG-UHFFFAOYSA-N -1 1 332.363 3.930 20 0 EHADMM CC[C@@]1(C)CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000122814730 1026780587 /nfs/dbraw/zinc/78/05/87/1026780587.db2.gz HAPCLRZAZYLCSD-HNNXBMFYSA-N -1 1 326.234 3.807 20 0 EHADMM Cc1nc(-c2ccc(N3CCCc4ccccc4C3)nc2)[n-]c(=O)c1C ZINC000301403926 1026793062 /nfs/dbraw/zinc/79/30/62/1026793062.db2.gz SIFQCVZWIFKOAT-UHFFFAOYSA-N -1 1 346.434 3.814 20 0 EHADMM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1cc2ccccc2o1 ZINC000531486233 1026979779 /nfs/dbraw/zinc/97/97/79/1026979779.db2.gz BDVBHOKOXNUWNS-QGZVFWFLSA-N -1 1 341.432 3.732 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@H](C)c1ccccc1 ZINC000531487528 1026983069 /nfs/dbraw/zinc/98/30/69/1026983069.db2.gz XZQQFKOWBJJXDY-UONOGXRCSA-N -1 1 329.421 3.903 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1 ZINC000685003134 1027023584 /nfs/dbraw/zinc/02/35/84/1027023584.db2.gz YKYIPQCLUHHIJG-UHFFFAOYSA-N -1 1 335.400 3.650 20 0 EHADMM O=c1nc(-c2ccon2)[n-]c2sc3c(c21)CC[C@H](c1ccccc1)C3 ZINC000074797430 1027077493 /nfs/dbraw/zinc/07/74/93/1027077493.db2.gz JCKAUNGMYUJDJT-LBPRGKRZSA-N -1 1 349.415 3.912 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(C(F)(F)F)CCCC1 ZINC000419865014 1027221260 /nfs/dbraw/zinc/22/12/60/1027221260.db2.gz PBKFJXOALZWVMR-UHFFFAOYSA-N -1 1 339.317 3.844 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)c([O-])c1 ZINC000076945086 1027367567 /nfs/dbraw/zinc/36/75/67/1027367567.db2.gz QXJJZPOJZGHPAN-UHFFFAOYSA-N -1 1 336.395 3.563 20 0 EHADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000501836263 1027604848 /nfs/dbraw/zinc/60/48/48/1027604848.db2.gz VSBUUMIAXURHKI-UHFFFAOYSA-N -1 1 347.436 3.788 20 0 EHADMM O=C([N-]c1nncs1)c1csc(-c2ccc(Cl)s2)n1 ZINC000048977150 1027751022 /nfs/dbraw/zinc/75/10/22/1027751022.db2.gz SZPKOSQCFRHISG-UHFFFAOYSA-N -1 1 328.831 3.629 20 0 EHADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nc(C)cs1 ZINC000131624121 1027801882 /nfs/dbraw/zinc/80/18/82/1027801882.db2.gz FHHVIZNBLPJLPW-LLVKDONJSA-N -1 1 348.852 3.674 20 0 EHADMM Cc1cc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)sc1Br ZINC000422633164 1027831086 /nfs/dbraw/zinc/83/10/86/1027831086.db2.gz ILDNKDIFAUPYEK-UWVGGRQHSA-N -1 1 332.263 3.504 20 0 EHADMM CCc1nc(SCc2cn3cc(Cl)ccc3n2)[n-]c(=O)c1C ZINC000582856399 1028019670 /nfs/dbraw/zinc/01/96/70/1028019670.db2.gz ADNZJQYPDSKMKL-UHFFFAOYSA-N -1 1 334.832 3.646 20 0 EHADMM CCc1nc(C)c(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)s1 ZINC000444787041 1028284599 /nfs/dbraw/zinc/28/45/99/1028284599.db2.gz PZNQFBSUFRSTDJ-UHFFFAOYSA-N -1 1 344.415 3.526 20 0 EHADMM CC(C)CSCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000533695292 1028418880 /nfs/dbraw/zinc/41/88/80/1028418880.db2.gz MNDBWTKPUOEJTA-UHFFFAOYSA-N -1 1 348.342 3.722 20 0 EHADMM COc1cc(C(=O)Nc2cc(C)ccc2NC(C)=O)cc(Cl)c1[O-] ZINC000153746198 1028688523 /nfs/dbraw/zinc/68/85/23/1028688523.db2.gz PIRGJBCJOGPUFZ-UHFFFAOYSA-N -1 1 348.786 3.573 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2COC)c1 ZINC000424082982 1028789472 /nfs/dbraw/zinc/78/94/72/1028789472.db2.gz MLVPJUWJSDHCIX-UHFFFAOYSA-N -1 1 339.844 3.850 20 0 EHADMM COC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445446202 1028806863 /nfs/dbraw/zinc/80/68/63/1028806863.db2.gz CXFBCZSQUBNMMG-UHFFFAOYSA-N -1 1 330.727 3.549 20 0 EHADMM COc1ccc(C(F)(F)c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457513 1028825764 /nfs/dbraw/zinc/82/57/64/1028825764.db2.gz NOYLBYFGHQQGDO-UHFFFAOYSA-N -1 1 336.269 3.730 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3csc(-c4ccoc4)n3)n2)c(F)c1 ZINC000445458503 1028826386 /nfs/dbraw/zinc/82/63/86/1028826386.db2.gz YKMHCWWJDNMQDW-UHFFFAOYSA-N -1 1 343.339 3.889 20 0 EHADMM COc1cc(C2(c3nc(-c4ccc([O-])cc4F)no3)CC2)ccc1C ZINC000445457838 1028827315 /nfs/dbraw/zinc/82/73/15/1028827315.db2.gz UDCPNOSHTKBWEX-UHFFFAOYSA-N -1 1 340.354 3.978 20 0 EHADMM CC(C)(C)n1ccnc1SCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479700 1028836266 /nfs/dbraw/zinc/83/62/66/1028836266.db2.gz WYGSPTSGLFGUAN-UHFFFAOYSA-N -1 1 348.403 3.825 20 0 EHADMM CC(=O)c1cccc(O[C@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445479331 1028836425 /nfs/dbraw/zinc/83/64/25/1028836425.db2.gz BKFRMCIDSMADIS-LLVKDONJSA-N -1 1 342.326 3.924 20 0 EHADMM COc1ccccc1SCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445480648 1028840507 /nfs/dbraw/zinc/84/05/07/1028840507.db2.gz MIJDJEPHTPHEIJ-UHFFFAOYSA-N -1 1 332.356 3.882 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc4c(c(Cl)c3)OCO4)n2)cc1F ZINC000445483090 1028843576 /nfs/dbraw/zinc/84/35/76/1028843576.db2.gz VFEGKITZTHEJBD-UHFFFAOYSA-N -1 1 334.690 3.630 20 0 EHADMM COc1cccc([C@H](C)Cc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445482236 1028843782 /nfs/dbraw/zinc/84/37/82/1028843782.db2.gz RSYPTFBMHHOTID-LLVKDONJSA-N -1 1 328.343 3.936 20 0 EHADMM COCCCOc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445488510 1028848133 /nfs/dbraw/zinc/84/81/33/1028848133.db2.gz WNFCKNHLWCZELY-UHFFFAOYSA-N -1 1 344.342 3.664 20 0 EHADMM COc1cc(C(=O)NC2(c3cccc(F)c3)CC2)cc(Cl)c1[O-] ZINC000153870448 1028849363 /nfs/dbraw/zinc/84/93/63/1028849363.db2.gz LLQMLIPYWIWJHZ-UHFFFAOYSA-N -1 1 335.762 3.612 20 0 EHADMM CC(C)n1c2ccccc2nc1[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000176771136 1029258551 /nfs/dbraw/zinc/25/85/51/1029258551.db2.gz PVNOCTFQRHSFRR-SECBINFHSA-N -1 1 331.313 3.695 20 0 EHADMM O=S(=O)([N-]CC(C1CC1)C1CC1)c1cc(Cl)sc1Cl ZINC000525188018 1029733688 /nfs/dbraw/zinc/73/36/88/1029733688.db2.gz RHLIVGYBLIWKCS-UHFFFAOYSA-N -1 1 340.297 3.769 20 0 EHADMM COC(=O)[C@@H]1CCC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000278250622 1029808509 /nfs/dbraw/zinc/80/85/09/1029808509.db2.gz TXFBSVRFVNMDIY-VHSXEESVSA-N -1 1 336.775 3.542 20 0 EHADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000162642001 1029825931 /nfs/dbraw/zinc/82/59/31/1029825931.db2.gz RLYCFKSWDIUCLP-AWEZNQCLSA-N -1 1 349.228 3.773 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc(F)ccc1F ZINC000536042798 1029888942 /nfs/dbraw/zinc/88/89/42/1029888942.db2.gz ZYXVUBGNYBRUEU-UHFFFAOYSA-N -1 1 339.754 3.744 20 0 EHADMM C[C@H]1Sc2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2NC1=O ZINC000128678562 1030463536 /nfs/dbraw/zinc/46/35/36/1030463536.db2.gz SSCXPDSJMGJUCG-MRVPVSSYSA-N -1 1 348.811 3.731 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447789649 1030489645 /nfs/dbraw/zinc/48/96/45/1030489645.db2.gz SODYPFMQENAQNP-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM CS[C@@H]1CCCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000123127560 1030930701 /nfs/dbraw/zinc/93/07/01/1030930701.db2.gz KPVMQGUBTGIEQB-LLVKDONJSA-N -1 1 344.274 3.512 20 0 EHADMM O=C(Nc1cccc(Cl)c1OCC(F)F)c1ccc(O)cc1[O-] ZINC000685232633 1031133132 /nfs/dbraw/zinc/13/31/32/1031133132.db2.gz SWFUALMQCZCSRP-UHFFFAOYSA-N -1 1 343.713 3.647 20 0 EHADMM C[C@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCc2ccccc2C1 ZINC000477131370 1031279889 /nfs/dbraw/zinc/27/98/89/1031279889.db2.gz GFEOWSXIBZVNEZ-NRFANRHFSA-N -1 1 347.418 3.916 20 0 EHADMM Cc1coc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000903996153 1031596671 /nfs/dbraw/zinc/59/66/71/1031596671.db2.gz BMNRLUKIILDTDB-CQSZACIVSA-N -1 1 338.201 3.656 20 0 EHADMM CN(C(=O)c1ccc(Br)c([O-])c1)[C@H]1CCc2ccccc21 ZINC000179145252 1031755750 /nfs/dbraw/zinc/75/57/50/1031755750.db2.gz MODQARIJXQIENY-HNNXBMFYSA-N -1 1 346.224 3.914 20 0 EHADMM 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O=C(c1ccc([O-])cc1)C1CCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000612383535 1034869946 /nfs/dbraw/zinc/86/99/46/1034869946.db2.gz XYIRVHCRHVPOFJ-UHFFFAOYSA-N -1 1 341.451 3.784 20 0 EHADMM COCCC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000530165401 1035014140 /nfs/dbraw/zinc/01/41/40/1035014140.db2.gz YJJJZGYQVBBLAG-OAHLLOKOSA-N -1 1 346.254 3.868 20 0 EHADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613365352 1035666945 /nfs/dbraw/zinc/66/69/45/1035666945.db2.gz XDSLVQCSIZSLHZ-ZYHUDNBSSA-N -1 1 338.329 3.743 20 0 EHADMM O=S(=O)([N-]Cc1ccccc1Cl)c1c(F)cccc1Cl ZINC000463748374 1035806660 /nfs/dbraw/zinc/80/66/60/1035806660.db2.gz SBKLFSYHVTYLID-UHFFFAOYSA-N -1 1 334.199 3.611 20 0 EHADMM CCOC(=O)c1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1Cl ZINC000613448462 1035905626 /nfs/dbraw/zinc/90/56/26/1035905626.db2.gz JSKALFZOGNCJET-UHFFFAOYSA-N -1 1 337.734 3.614 20 0 EHADMM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613481551 1036043374 /nfs/dbraw/zinc/04/33/74/1036043374.db2.gz OLTJPOVCVJBDJG-DYVFJYSZSA-N -1 1 333.391 3.559 20 0 EHADMM COc1c(Cl)cc(Cl)cc1CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263113593 1036087566 /nfs/dbraw/zinc/08/75/66/1036087566.db2.gz ZCNGVBCYBGWIHG-ONGXEEELSA-N -1 1 332.227 3.545 20 0 EHADMM CCc1nc(S[C@@H](C)C(=O)Nc2cccc(C)c2C)[n-]c(=O)c1C ZINC000572498603 1036119271 /nfs/dbraw/zinc/11/92/71/1036119271.db2.gz XUDRSMLYKHINLG-ZDUSSCGKSA-N -1 1 345.468 3.789 20 0 EHADMM COC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000190978732 1036313534 /nfs/dbraw/zinc/31/35/34/1036313534.db2.gz YTLWLRWILPPHAD-UHFFFAOYSA-N -1 1 338.722 3.615 20 0 EHADMM CC[C@H](CC(F)F)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000457681592 1036389261 /nfs/dbraw/zinc/38/92/61/1036389261.db2.gz WNORHOZNFWYLAN-SSDOTTSWSA-N -1 1 333.791 3.833 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000064475609 1036534471 /nfs/dbraw/zinc/53/44/71/1036534471.db2.gz GTNLHWBTFSIMSW-UHFFFAOYSA-N -1 1 345.449 3.599 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H](C)C1(F)F ZINC000628399565 1036668887 /nfs/dbraw/zinc/66/88/87/1036668887.db2.gz MVHMFBYENWMCAO-DTORHVGOSA-N -1 1 337.288 3.774 20 0 EHADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C)cc(F)c3)cc2)o1 ZINC000176682637 1036674507 /nfs/dbraw/zinc/67/45/07/1036674507.db2.gz ZCRGCNUCQVDYNT-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1nnc(-c2cccc(-c3nc(-c4ccc([O-])cc4F)no3)c2)o1 ZINC000350812275 1037110230 /nfs/dbraw/zinc/11/02/30/1037110230.db2.gz JZEYWESBGFWFKN-UHFFFAOYSA-N -1 1 338.298 3.607 20 0 EHADMM CCOc1cc(C(=O)NC2(C)Cc3ccccc3C2)cc(Cl)c1[O-] ZINC000186983323 1037150907 /nfs/dbraw/zinc/15/09/07/1037150907.db2.gz FPQVRVBFZDYLAD-UHFFFAOYSA-N -1 1 345.826 3.732 20 0 EHADMM Cc1cccc(C)c1NC(=O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000006993368 1037378756 /nfs/dbraw/zinc/37/87/56/1037378756.db2.gz CQNFGWJVGGRNDD-UHFFFAOYSA-N -1 1 348.402 3.531 20 0 EHADMM Cc1ccc([C@H](C)N(C)C(=O)c2csc(=NC3CC3)[n-]2)c(C)c1 ZINC000493520559 1037421212 /nfs/dbraw/zinc/42/12/12/1037421212.db2.gz FWMLAIUUGVBMQE-ZDUSSCGKSA-N -1 1 329.469 3.589 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1COCC[C@@H]1c1ccccc1 ZINC000888196122 1037457924 /nfs/dbraw/zinc/45/79/24/1037457924.db2.gz BFLSWMSBRWSWQD-MRXNPFEDSA-N -1 1 331.799 3.536 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1COCC[C@H]1c1ccccc1 ZINC000888196121 1037458479 /nfs/dbraw/zinc/45/84/79/1037458479.db2.gz BFLSWMSBRWSWQD-INIZCTEOSA-N -1 1 331.799 3.536 20 0 EHADMM COc1ccc(C[C@H](C)CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000760858005 1037544258 /nfs/dbraw/zinc/54/42/58/1037544258.db2.gz VBQPYKVBXQADLI-LBPRGKRZSA-N -1 1 333.815 3.663 20 0 EHADMM Cc1ccc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)cc1C ZINC000760880283 1037549197 /nfs/dbraw/zinc/54/91/97/1037549197.db2.gz SDBZSXYLKWILBG-UHFFFAOYSA-N -1 1 344.842 3.625 20 0 EHADMM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cc2c(cccc2F)s1 ZINC000030063613 1037605219 /nfs/dbraw/zinc/60/52/19/1037605219.db2.gz QBOWEOYEPHCURI-UHFFFAOYSA-N -1 1 348.786 3.769 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-]c1[nH]nc(-c2ccccc2)c1C ZINC000540208648 1037709376 /nfs/dbraw/zinc/70/93/76/1037709376.db2.gz HGCGIZHGKAGRRD-UHFFFAOYSA-N -1 1 333.438 3.556 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccccc2F)c1 ZINC000182923802 1037922010 /nfs/dbraw/zinc/92/20/10/1037922010.db2.gz QKFPCIFHBUJJIV-UHFFFAOYSA-N -1 1 338.176 3.783 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)ccc1F ZINC000540455820 1037976792 /nfs/dbraw/zinc/97/67/92/1037976792.db2.gz CSCKLWFBKZQCFQ-UHFFFAOYSA-N -1 1 330.384 3.930 20 0 EHADMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000540498104 1038018575 /nfs/dbraw/zinc/01/85/75/1038018575.db2.gz OOTNWXOHYAREHM-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM COC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000592562840 1038037059 /nfs/dbraw/zinc/03/70/59/1038037059.db2.gz BWPHZLGXSOZAKF-UHFFFAOYSA-N -1 1 327.361 3.646 20 0 EHADMM Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c(C)c1 ZINC000538516509 1038354526 /nfs/dbraw/zinc/35/45/26/1038354526.db2.gz 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SSMRIDOWOAGCBE-UHFFFAOYSA-N -1 1 336.505 3.637 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)c(F)c3Cl)no2)[nH]n1 ZINC001212429105 1128578753 /nfs/dbraw/zinc/57/87/53/1128578753.db2.gz AHFOKDFJUJFSJV-UHFFFAOYSA-N -1 1 341.129 3.775 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)c(F)c3Cl)no2)n[n-]1 ZINC001212429105 1128578757 /nfs/dbraw/zinc/57/87/57/1128578757.db2.gz AHFOKDFJUJFSJV-UHFFFAOYSA-N -1 1 341.129 3.775 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)c(F)c3Cl)no2)[n-]n1 ZINC001212429105 1128578759 /nfs/dbraw/zinc/57/87/59/1128578759.db2.gz AHFOKDFJUJFSJV-UHFFFAOYSA-N -1 1 341.129 3.775 20 0 EHADMM CCOc1cc(-c2noc([C@H]3C[C@H]3C)n2)cc(Br)c1[O-] ZINC000109508045 1128735899 /nfs/dbraw/zinc/73/58/99/1128735899.db2.gz YXFODHYVDLRDBW-APPZFPTMSA-N -1 1 339.189 3.727 20 0 EHADMM CCc1cc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)ccc1F ZINC000672112672 1128754615 /nfs/dbraw/zinc/75/46/15/1128754615.db2.gz WCKFXFUCZYIDFG-UHFFFAOYSA-N -1 1 337.354 3.595 20 0 EHADMM COc1cc(C(=O)N(C)Cc2sccc2C)cc(Cl)c1[O-] ZINC000338757701 1128880260 /nfs/dbraw/zinc/88/02/60/1128880260.db2.gz OCBUTWGMLNSQQR-UHFFFAOYSA-N -1 1 325.817 3.696 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2ncoc2-c2ccccc2)s1 ZINC000112007487 1128900019 /nfs/dbraw/zinc/90/00/19/1128900019.db2.gz LOHNYOVKWKTANH-UHFFFAOYSA-N -1 1 328.397 3.743 20 0 EHADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ncoc1-c1ccccc1 ZINC000112006580 1128900090 /nfs/dbraw/zinc/90/00/90/1128900090.db2.gz JRPYSDIJICMYAY-UHFFFAOYSA-N -1 1 349.375 3.507 20 0 EHADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])C[C@H]1C ZINC000251739498 1120328977 /nfs/dbraw/zinc/32/89/77/1120328977.db2.gz JGZJFOMPDLDUSM-FOGDFJRCSA-N -1 1 326.234 3.709 20 0 EHADMM CC[C@@H](NCc1ccc2cc(OC)ccc2c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064781 1120351029 /nfs/dbraw/zinc/35/10/29/1120351029.db2.gz MOVZPROZOZCAKJ-MRXNPFEDSA-N -1 1 339.395 3.511 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1c[nH]c2cccc(F)c21 ZINC000185166626 1120402612 /nfs/dbraw/zinc/40/26/12/1120402612.db2.gz LMJPJDOHASPBKP-UHFFFAOYSA-N -1 1 342.754 3.900 20 0 EHADMM Cc1ccnc(-n2nccc2NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192275457 1120729437 /nfs/dbraw/zinc/72/94/37/1120729437.db2.gz CQLVFOOJHDDFAG-UHFFFAOYSA-N -1 1 343.774 3.579 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000648732191 1120895162 /nfs/dbraw/zinc/89/51/62/1120895162.db2.gz MEXIHMRACQCBFE-CVEARBPZSA-N -1 1 325.412 3.937 20 0 EHADMM CCC1(C)CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000231329282 1121028860 /nfs/dbraw/zinc/02/88/60/1121028860.db2.gz DYDIUVFSXMIHHE-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM CC(C)(C)CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000232510182 1121123302 /nfs/dbraw/zinc/12/33/02/1121123302.db2.gz MZDYYSLPZHMWRM-UHFFFAOYSA-N -1 1 325.352 3.589 20 0 EHADMM CC(C)c1nnc([N-]c2cc(F)cc(C(=O)N3CCCCC3)c2)o1 ZINC001212202217 1121152617 /nfs/dbraw/zinc/15/26/17/1121152617.db2.gz VSPQWRRCTIUPON-UHFFFAOYSA-N -1 1 332.379 3.702 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1Cl ZINC000074842711 1121713215 /nfs/dbraw/zinc/71/32/15/1121713215.db2.gz KJJGGUIUSNJCKR-UHFFFAOYSA-N -1 1 336.800 3.631 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccn1Cc1cccs1 ZINC000763195755 1121836982 /nfs/dbraw/zinc/83/69/82/1121836982.db2.gz OXFUBWVETRDEMY-UHFFFAOYSA-N -1 1 333.800 3.604 20 0 EHADMM CCN(CC)C(=O)c1ccc(Nc2ccnc(Cl)c2[O-])c(OC)c1 ZINC001212463741 1129012896 /nfs/dbraw/zinc/01/28/96/1129012896.db2.gz BSGQZIADBKBHMS-UHFFFAOYSA-N -1 1 349.818 3.675 20 0 EHADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000055652268 1121850918 /nfs/dbraw/zinc/85/09/18/1121850918.db2.gz LCMCBZQXAHWJNB-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1Cl ZINC000916729756 1122337043 /nfs/dbraw/zinc/33/70/43/1122337043.db2.gz HFTHULKDMNJGET-UHFFFAOYSA-N -1 1 345.251 3.860 20 0 EHADMM Cc1nc(SCc2nnc(-c3ccccc3)s2)[n-]c(=O)c1C ZINC000126638506 1122416691 /nfs/dbraw/zinc/41/66/91/1122416691.db2.gz CRPALKXTYHSPRZ-UHFFFAOYSA-N -1 1 330.438 3.610 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c(C)n1 ZINC000128695445 1122650067 /nfs/dbraw/zinc/65/00/67/1122650067.db2.gz HCFZTTHYDQJRCG-UHFFFAOYSA-N -1 1 344.358 3.826 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2coc(-c3ccccc3)n2)s1 ZINC000078032268 1129092360 /nfs/dbraw/zinc/09/23/60/1129092360.db2.gz ASWJJOIAGICBDI-UHFFFAOYSA-N -1 1 328.397 3.788 20 0 EHADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000508890177 1123465722 /nfs/dbraw/zinc/46/57/22/1123465722.db2.gz JVFTYWABTBSFEX-ZDUSSCGKSA-N -1 1 325.836 3.742 20 0 EHADMM O=C(NCCc1ccc(-c2ccccc2)cc1)C(=O)c1ccc([O-])cc1 ZINC000673011088 1129143120 /nfs/dbraw/zinc/14/31/20/1129143120.db2.gz YNOUXIYOJWUQNT-UHFFFAOYSA-N -1 1 345.398 3.601 20 0 EHADMM COCCOCc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000615750384 1123868869 /nfs/dbraw/zinc/86/88/69/1123868869.db2.gz JGODYPAONDACKF-UHFFFAOYSA-N -1 1 343.423 3.931 20 0 EHADMM CC(C)c1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)on1 ZINC000114499506 1129152380 /nfs/dbraw/zinc/15/23/80/1129152380.db2.gz RKSCUEXHZQISIM-UHFFFAOYSA-N -1 1 349.239 3.583 20 0 EHADMM CCN(C(C)=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000617541884 1124638157 /nfs/dbraw/zinc/63/81/57/1124638157.db2.gz GDFXSTIWGKACAB-UHFFFAOYSA-N -1 1 341.411 3.536 20 0 EHADMM CCCCOc1cc(OCCC)ccc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615222748 1124723282 /nfs/dbraw/zinc/72/32/82/1124723282.db2.gz VGAFTAXTGIJRFV-UHFFFAOYSA-N -1 1 347.415 3.644 20 0 EHADMM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1F ZINC000618393245 1125066745 /nfs/dbraw/zinc/06/67/45/1125066745.db2.gz SIXCJXSUPGWLCY-OAHLLOKOSA-N -1 1 333.334 3.656 20 0 EHADMM CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000618792501 1125202278 /nfs/dbraw/zinc/20/22/78/1125202278.db2.gz GXQBMALALGLICB-KRWDZBQOSA-N -1 1 347.361 3.663 20 0 EHADMM Cn1cc(-c2ncccc2NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000682440055 1129215907 /nfs/dbraw/zinc/21/59/07/1129215907.db2.gz CYBNGLOVQVXDNL-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cncc([O-])c1 ZINC000117421980 1129440924 /nfs/dbraw/zinc/44/09/24/1129440924.db2.gz 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CC[C@H](Nc1ccccc1)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000745017522 1132180843 /nfs/dbraw/zinc/18/08/43/1132180843.db2.gz RRZZOBPBOGEBEV-SFHVURJKSA-N -1 1 341.407 3.571 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000745058429 1132189025 /nfs/dbraw/zinc/18/90/25/1132189025.db2.gz YAJHVFQFETVFME-MRXNPFEDSA-N -1 1 342.416 3.570 20 0 EHADMM CS(=O)(=O)c1ccccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001173991851 1132197839 /nfs/dbraw/zinc/19/78/39/1132197839.db2.gz XGNKCHZQSGAHMV-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM CS(=O)(=O)c1cccc(Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC001174028395 1132218667 /nfs/dbraw/zinc/21/86/67/1132218667.db2.gz UTHPBLVTDQBSSH-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM O=C(NCc1ccco1)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001174155650 1132257874 /nfs/dbraw/zinc/25/78/74/1132257874.db2.gz PDPZUKWEFJLNPF-UHFFFAOYSA-N -1 1 343.770 3.707 20 0 EHADMM CCc1cc2c(COC(=O)CC(C)(C)CC)cc(=O)oc2cc1[O-] ZINC000745776922 1132314407 /nfs/dbraw/zinc/31/44/07/1132314407.db2.gz AQVKNESNBBKDNN-UHFFFAOYSA-N -1 1 332.396 3.931 20 0 EHADMM [O-]C(c1ccc(Nc2cncnc2)cc1)(C(F)(F)F)C(F)(F)F ZINC001174384146 1132345519 /nfs/dbraw/zinc/34/55/19/1132345519.db2.gz HHLXKNQHIDVRCE-UHFFFAOYSA-N -1 1 337.223 3.532 20 0 EHADMM CC[C@H](CO)N(Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC001174698233 1132443867 /nfs/dbraw/zinc/44/38/67/1132443867.db2.gz BLURCFHAKABEOL-LJQANCHMSA-N -1 1 349.430 3.959 20 0 EHADMM CSc1nc(Nc2ccc(Oc3cccnc3)cc2)cc(=O)[n-]1 ZINC001174848083 1132486729 /nfs/dbraw/zinc/48/67/29/1132486729.db2.gz XYRNZNBJLHZMGZ-UHFFFAOYSA-N -1 1 326.381 3.835 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc3scnc3c2)c1 ZINC001175911977 1132795354 /nfs/dbraw/zinc/79/53/54/1132795354.db2.gz AVVDWTWWQOMSLD-UHFFFAOYSA-N -1 1 334.422 3.539 20 0 EHADMM CC(C)(C)c1nsc([N-]c2cc(C(=O)N3CCCC3)ccc2F)n1 ZINC001176207329 1132873999 /nfs/dbraw/zinc/87/39/99/1132873999.db2.gz KVNYWJDQSGAUEU-UHFFFAOYSA-N -1 1 348.447 3.954 20 0 EHADMM COc1ccc(-c2cc(COC(=O)c3ccc([O-])cc3F)on2)cc1 ZINC000773569183 1132921776 /nfs/dbraw/zinc/92/17/76/1132921776.db2.gz JODLIQHNQMVOBK-UHFFFAOYSA-N -1 1 343.310 3.552 20 0 EHADMM CCCCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000767085857 1132946600 /nfs/dbraw/zinc/94/66/00/1132946600.db2.gz YYOHTLWBUHOSEA-VIFPVBQESA-N -1 1 325.261 3.636 20 0 EHADMM COc1ccc(Cn2nccc2Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176663533 1132979047 /nfs/dbraw/zinc/97/90/47/1132979047.db2.gz INMVOPFOSQFVBB-UHFFFAOYSA-N -1 1 349.312 3.807 20 0 EHADMM COC(=O)Cc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1C ZINC001176672920 1132979732 /nfs/dbraw/zinc/97/97/32/1132979732.db2.gz BCOOLLPITVQOFF-UHFFFAOYSA-N -1 1 325.286 3.577 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(-c2cccs2)on1 ZINC001176989162 1133017832 /nfs/dbraw/zinc/01/78/32/1133017832.db2.gz ZFGPHNZGBRZMLH-UHFFFAOYSA-N -1 1 334.784 3.692 20 0 EHADMM CCC=C(C(=O)N1CC=CC1)c1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC001177417016 1133063106 /nfs/dbraw/zinc/06/31/06/1133063106.db2.gz HAWCHADTROPGIG-WQLSENKSSA-N -1 1 349.456 3.682 20 0 EHADMM Cc1[nH]c(=S)sc1CC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001177600885 1133085883 /nfs/dbraw/zinc/08/58/83/1133085883.db2.gz ZASUGNVQJSYSFW-UHFFFAOYSA-N -1 1 348.371 3.646 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000768273648 1133120262 /nfs/dbraw/zinc/12/02/62/1133120262.db2.gz VYYURVSTIUPBNN-RHSMWYFYSA-N -1 1 347.386 3.633 20 0 EHADMM CCCN(CCc1cccs1)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000768530926 1133151445 /nfs/dbraw/zinc/15/14/45/1133151445.db2.gz PLUFEMHBXNQPMS-UHFFFAOYSA-N -1 1 347.484 3.770 20 0 EHADMM O=C(Nc1cc2n[nH]cc2c(C(F)(F)F)c1)c1ccc(F)c([O-])c1 ZINC001178338302 1133156651 /nfs/dbraw/zinc/15/66/51/1133156651.db2.gz DVMZTUUCNZCVOF-UHFFFAOYSA-N -1 1 339.248 3.679 20 0 EHADMM C[C@]1(NC(=O)c2ccc3ccccc3c2[O-])CCOc2ccccc21 ZINC001178745934 1133194707 /nfs/dbraw/zinc/19/47/07/1133194707.db2.gz ZGIPQCWXEQGCMO-NRFANRHFSA-N -1 1 333.387 3.973 20 0 EHADMM C[C@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCOc2ccccc21 ZINC001179660437 1133268530 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[O-]c1ccc(-c2noc(C[C@H](O)c3ccc(Cl)cc3)n2)cc1F ZINC000771222231 1133529617 /nfs/dbraw/zinc/52/96/17/1133529617.db2.gz GAZVIOGKNWWMBC-AWEZNQCLSA-N -1 1 334.734 3.511 20 0 EHADMM Cc1c2c(sc1NC(=O)c1ccc3n[n-]c(=S)n3c1)CCCC2 ZINC000773992426 1133586287 /nfs/dbraw/zinc/58/62/87/1133586287.db2.gz KZINNECVHDVOGU-UHFFFAOYSA-N -1 1 344.465 3.519 20 0 EHADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nc(-c3ccccc3)no2)n1 ZINC001182540509 1133698557 /nfs/dbraw/zinc/69/85/57/1133698557.db2.gz FEQDLKZHNFORAA-UHFFFAOYSA-N -1 1 343.774 3.556 20 0 EHADMM [O-]c1cc(Br)cnc1CN1CCC(C2CCC2)CC1 ZINC001182806092 1133728709 /nfs/dbraw/zinc/72/87/09/1133728709.db2.gz QJULGDWGCMIXFB-UHFFFAOYSA-N -1 1 325.250 3.562 20 0 EHADMM O=C(Nc1c[n-][nH]c1=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001183561503 1133824212 /nfs/dbraw/zinc/82/42/12/1133824212.db2.gz DCJHMILNFANQRY-OAHLLOKOSA-N -1 1 343.383 3.727 20 0 EHADMM [O-]c1ccc(-c2nc(-c3ccc(F)c(C(F)(F)F)c3)no2)nn1 ZINC001205294114 1133924095 /nfs/dbraw/zinc/92/40/95/1133924095.db2.gz OAHZUZNRWMLXRE-UHFFFAOYSA-N -1 1 326.209 3.618 20 0 EHADMM COC(=O)c1cc(NCc2ccc([O-])c(F)c2F)ccc1Cl ZINC001184439915 1133937726 /nfs/dbraw/zinc/93/77/26/1133937726.db2.gz QLNWYTNVUNRQQN-UHFFFAOYSA-N -1 1 327.714 3.723 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)Cc3cc(F)cc(F)c3)ccc2c1 ZINC001185083686 1134033795 /nfs/dbraw/zinc/03/37/95/1134033795.db2.gz CKHXCOASPSZSJG-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185226741 1134052866 /nfs/dbraw/zinc/05/28/66/1134052866.db2.gz DIPGETQPHOGKGV-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc(F)c1F ZINC001185532797 1134104501 /nfs/dbraw/zinc/10/45/01/1134104501.db2.gz SCLZLZOAMUKYNP-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM Nc1cc(F)c(C(F)(F)F)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186225855 1134183012 /nfs/dbraw/zinc/18/30/12/1134183012.db2.gz GKEMUIIACRGCCQ-UHFFFAOYSA-N -1 1 332.228 3.524 20 0 EHADMM COC(=O)c1sc2c(c1NC(=O)c1ccc([O-])c(F)c1)CCCC2 ZINC001186209587 1134188307 /nfs/dbraw/zinc/18/83/07/1134188307.db2.gz YRNMQMXTOSGBNM-UHFFFAOYSA-N -1 1 349.383 3.511 20 0 EHADMM O=S(=O)([N-]C12CCC(CC1)C2)c1ccc(Cl)c(F)c1Cl ZINC000788905091 1134191623 /nfs/dbraw/zinc/19/16/23/1134191623.db2.gz GRBHPCXXZNCJRP-UHFFFAOYSA-N -1 1 338.231 3.744 20 0 EHADMM O=C(NCCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001186282134 1134192639 /nfs/dbraw/zinc/19/26/39/1134192639.db2.gz AUPRSUPPHAJBQD-UHFFFAOYSA-N -1 1 342.292 3.914 20 0 EHADMM C[C@@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CCCCC1 ZINC001186347324 1134206032 /nfs/dbraw/zinc/20/60/32/1134206032.db2.gz BMPTWDZUACRIMZ-CYBMUJFWSA-N -1 1 328.416 3.668 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2)CCC(F)(F)CC1)c1ccco1 ZINC001186883976 1134266857 /nfs/dbraw/zinc/26/68/57/1134266857.db2.gz NGMSKBILSTYQEC-UHFFFAOYSA-N -1 1 341.379 3.663 20 0 EHADMM C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1c([O-])cccc1Cl ZINC000789870824 1134338848 /nfs/dbraw/zinc/33/88/48/1134338848.db2.gz VLALNPRKYUFILL-GFCCVEGCSA-N -1 1 348.805 3.536 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(Oc2nccs2)c1 ZINC000790050481 1134365113 /nfs/dbraw/zinc/36/51/13/1134365113.db2.gz BULYPPJEOGOWBP-UHFFFAOYSA-N -1 1 347.783 3.942 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(C(F)(F)F)c1F ZINC000790052355 1134365853 /nfs/dbraw/zinc/36/58/53/1134365853.db2.gz VIZLUKWYCDLUNV-UHFFFAOYSA-N -1 1 334.656 3.851 20 0 EHADMM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nc(Cl)ccc1[O-] ZINC000790057054 1134366940 /nfs/dbraw/zinc/36/69/40/1134366940.db2.gz UDWGQTPHSIGZAE-UHFFFAOYSA-N -1 1 346.692 3.520 20 0 EHADMM O=C(Nc1ncnc2sccc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188561848 1134476556 /nfs/dbraw/zinc/47/65/56/1134476556.db2.gz CVWUKUGXLHXNGZ-UHFFFAOYSA-N -1 1 339.298 3.668 20 0 EHADMM O=S(=O)([N-]c1cc(OCc2ccccc2)ccc1F)c1ccoc1 ZINC001188614138 1134482156 /nfs/dbraw/zinc/48/21/56/1134482156.db2.gz JLAWLXMSYUKCFA-UHFFFAOYSA-N -1 1 347.367 3.799 20 0 EHADMM COc1cccc(Cl)c1CNC(=O)c1c([O-])cccc1Cl ZINC000791008504 1134492366 /nfs/dbraw/zinc/49/23/66/1134492366.db2.gz LBBMQNPIWMRQQI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/56/87/04/1134568704.db2.gz IOAXUHKREAHFGS-UHFFFAOYSA-N -1 1 341.379 3.614 20 0 EHADMM CCCOc1ccccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189315804 1134570187 /nfs/dbraw/zinc/57/01/87/1134570187.db2.gz DNNXEGQBERSFMY-UHFFFAOYSA-N -1 1 341.379 3.696 20 0 EHADMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC001189320959 1134570857 /nfs/dbraw/zinc/57/08/57/1134570857.db2.gz KTGJSDSFXQJDNW-BXUZGUMPSA-N -1 1 325.405 3.819 20 0 EHADMM O=S(=O)([N-]c1ccc2ncoc2c1)c1ccc(F)c2ccccc21 ZINC001189347950 1134574545 /nfs/dbraw/zinc/57/45/45/1134574545.db2.gz NWEIIJHUEFMDGB-UHFFFAOYSA-N -1 1 342.351 3.921 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)ccc1F ZINC001189389578 1134579100 /nfs/dbraw/zinc/57/91/00/1134579100.db2.gz MOOKDIHAPKPIMD-UHFFFAOYSA-N -1 1 349.358 3.927 20 0 EHADMM O=C([N-]c1noc2cccnc21)c1ncc(C(F)(F)F)cc1Cl ZINC001190638030 1134729830 /nfs/dbraw/zinc/72/98/30/1134729830.db2.gz UUVDERCRVAFVSA-UHFFFAOYSA-N -1 1 342.664 3.542 20 0 EHADMM COc1cc(C(=O)NCCCc2ccc(C)s2)cc(Cl)c1[O-] ZINC001191148886 1134801119 /nfs/dbraw/zinc/80/11/19/1134801119.db2.gz TWBVSABFLKXASV-UHFFFAOYSA-N -1 1 339.844 3.787 20 0 EHADMM COc1cc(C(=O)N2CC[C@H](C)C(F)(F)CC2)cc(Cl)c1[O-] ZINC001191138244 1134808907 /nfs/dbraw/zinc/80/89/07/1134808907.db2.gz ATVZPBSOUXEXRP-VIFPVBQESA-N -1 1 333.762 3.562 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2nnccc2C(F)(F)F)c([O-])c1 ZINC001192314420 1134997730 /nfs/dbraw/zinc/99/77/30/1134997730.db2.gz PAIDYXIRQJCLJO-UHFFFAOYSA-N -1 1 339.317 3.751 20 0 EHADMM Cc1onc(-c2ccccc2C)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000793941611 1135010298 /nfs/dbraw/zinc/01/02/98/1135010298.db2.gz NFWMNHODLORHHH-UHFFFAOYSA-N -1 1 343.770 3.965 20 0 EHADMM O=C([N-]c1noc2cccnc21)c1ccc(Cl)nc1C(F)(F)F ZINC001192466236 1135016809 /nfs/dbraw/zinc/01/68/09/1135016809.db2.gz USWOJVQXMBOMCA-UHFFFAOYSA-N -1 1 342.664 3.542 20 0 EHADMM C[C@@H](NC(=O)c1cc([O-])cc(F)c1F)c1cccc(Cl)c1F ZINC001192670920 1135043610 /nfs/dbraw/zinc/04/36/10/1135043610.db2.gz QIXXTNZYJOXVNQ-SSDOTTSWSA-N -1 1 329.705 3.954 20 0 EHADMM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000804477421 1135080675 /nfs/dbraw/zinc/08/06/75/1135080675.db2.gz CHDJRIOZALGAPI-VBKZILBWSA-N -1 1 335.403 3.706 20 0 EHADMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)OCC ZINC001192998141 1135082651 /nfs/dbraw/zinc/08/26/51/1135082651.db2.gz DXTKOGGBDDGOOA-MRVPVSSYSA-N -1 1 346.301 3.538 20 0 EHADMM CC(=O)c1ccsc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193735142 1135174196 /nfs/dbraw/zinc/17/41/96/1135174196.db2.gz KRURPXKUWGQAOD-UHFFFAOYSA-N -1 1 329.299 3.927 20 0 EHADMM COc1csc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)c1 ZINC001129870163 1135179724 /nfs/dbraw/zinc/17/97/24/1135179724.db2.gz XIQVTWNMIPRCRT-UHFFFAOYSA-N -1 1 349.412 3.590 20 0 EHADMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cncc(N(C)C)c1 ZINC001193802145 1135186558 /nfs/dbraw/zinc/18/65/58/1135186558.db2.gz WXBYFIKBBASJCI-UHFFFAOYSA-N -1 1 348.497 3.547 20 0 EHADMM O=C(Nc1c([O-])cccc1F)Oc1ccc(Br)cc1 ZINC001194599179 1135290413 /nfs/dbraw/zinc/29/04/13/1135290413.db2.gz PFRFLALHXGRDTJ-UHFFFAOYSA-N -1 1 326.121 3.905 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)c2cccnc12 ZINC001194633608 1135294285 /nfs/dbraw/zinc/29/42/85/1135294285.db2.gz BBFFHTDXTKTGTR-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)C2CC2)cc1 ZINC001194641952 1135295815 /nfs/dbraw/zinc/29/58/15/1135295815.db2.gz CZWLMNRVMRDNOK-UHFFFAOYSA-N -1 1 329.421 3.697 20 0 EHADMM CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194987123 1135350216 /nfs/dbraw/zinc/35/02/16/1135350216.db2.gz BBXDQOONBWBFPB-UHFFFAOYSA-N -1 1 345.399 3.693 20 0 EHADMM COc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195156919 1135383805 /nfs/dbraw/zinc/38/38/05/1135383805.db2.gz WFHOUYWQPRLVRL-UHFFFAOYSA-N -1 1 341.379 3.898 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2cc(-c3ccccc3)nn2C2CCC2)n1 ZINC001195321543 1135405235 /nfs/dbraw/zinc/40/52/35/1135405235.db2.gz FKPNXWAQYCIHHM-UHFFFAOYSA-N -1 1 348.406 3.936 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cnc2ccccc2c1C(F)(F)F ZINC001195458408 1135426243 /nfs/dbraw/zinc/42/62/43/1135426243.db2.gz UGACDMMQYAJEER-UHFFFAOYSA-N -1 1 343.330 3.697 20 0 EHADMM Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(O)cc3)cn2)cc1 ZINC001195766810 1135462688 /nfs/dbraw/zinc/46/26/88/1135462688.db2.gz VDJPREVUMRPBCF-UHFFFAOYSA-N -1 1 340.404 3.563 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCC=CCCC1)c1c(Cl)ccnc1Cl ZINC001195857790 1135476063 /nfs/dbraw/zinc/47/60/63/1135476063.db2.gz MQGWZPQRQOVLHR-NSHDSACASA-N -1 1 349.283 3.803 20 0 EHADMM CC1(C)CN(CCC[N-]C(=O)C(F)(F)F)c2ccc(Cl)cc21 ZINC001196773378 1135613458 /nfs/dbraw/zinc/61/34/58/1135613458.db2.gz OXCKSQFCKNKVFG-UHFFFAOYSA-N -1 1 334.769 3.506 20 0 EHADMM CC1=C(C(=O)Nc2c([O-])cc(Br)cc2Cl)CCCO1 ZINC000808113127 1135618923 /nfs/dbraw/zinc/61/89/23/1135618923.db2.gz YMCXXQIBINCCPZ-UHFFFAOYSA-N -1 1 346.608 3.831 20 0 EHADMM O=c1[n-]cnc(NC2=CC[C@@H](C(F)(F)F)CC2)c1Br ZINC001196889247 1135622158 /nfs/dbraw/zinc/62/21/58/1135622158.db2.gz LFGJCBHAIHXTFD-ZCFIWIBFSA-N -1 1 338.127 3.603 20 0 EHADMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc3nccnc3c2)c1 ZINC001198104910 1135776235 /nfs/dbraw/zinc/77/62/35/1135776235.db2.gz AYRXXAZCUGCVSQ-UHFFFAOYSA-N -1 1 327.409 3.554 20 0 EHADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198105839 1135776719 /nfs/dbraw/zinc/77/67/19/1135776719.db2.gz OVROXDLJGVNUJY-UHFFFAOYSA-N -1 1 327.409 3.554 20 0 EHADMM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153568 1135780022 /nfs/dbraw/zinc/78/00/22/1135780022.db2.gz PQMMIFCFVZCVLX-UHFFFAOYSA-N -1 1 347.827 3.646 20 0 EHADMM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1ccc(Cl)o1 ZINC001131992963 1135908730 /nfs/dbraw/zinc/90/87/30/1135908730.db2.gz XHHZUAQPGXFFMB-UHFFFAOYSA-N -1 1 347.652 3.691 20 0 EHADMM Cc1cc(Cl)cc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1O ZINC000747615824 1135983680 /nfs/dbraw/zinc/98/36/80/1135983680.db2.gz CXBXEMBIBZRACK-SREVYHEPSA-N -1 1 341.791 3.906 20 0 EHADMM CN(C)C(=O)c1ccccc1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810609736 1135984614 /nfs/dbraw/zinc/98/46/14/1135984614.db2.gz LKFJJQALZYMNHA-UHFFFAOYSA-N -1 1 348.811 3.804 20 0 EHADMM Cc1cc(C)cc(NC(=S)Nc2cccc(C(=O)N(C)C)c2[O-])c1 ZINC001201207910 1135996414 /nfs/dbraw/zinc/99/64/14/1135996414.db2.gz CSEGNKNMSJVPBD-UHFFFAOYSA-N -1 1 343.452 3.520 20 0 EHADMM O=S(=O)([N-]Cc1cccs1)c1cc(Cl)c(Cl)cc1F ZINC001201244734 1135998697 /nfs/dbraw/zinc/99/86/97/1135998697.db2.gz XMHZSVPFFATYNI-UHFFFAOYSA-N -1 1 340.228 3.673 20 0 EHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(OC(F)(F)F)c1 ZINC000776166286 1136019211 /nfs/dbraw/zinc/01/92/11/1136019211.db2.gz GGRQUHGQQSANDJ-SECBINFHSA-N -1 1 343.276 3.921 20 0 EHADMM S=c1[n-]nc(Cc2cccs2)n1CN1Cc2ccccc2C1 ZINC000106062990 1136038270 /nfs/dbraw/zinc/03/82/70/1136038270.db2.gz AOKQUBCTBQXDRY-UHFFFAOYSA-N -1 1 328.466 3.566 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2O)c(C)c1C ZINC001201799505 1136064031 /nfs/dbraw/zinc/06/40/31/1136064031.db2.gz JXZLJUBJTKZWQM-UHFFFAOYSA-N -1 1 337.416 3.874 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ncsc2C(C)C)c1 ZINC000811264860 1136065799 /nfs/dbraw/zinc/06/57/99/1136065799.db2.gz GIPZSCHNZQYHGE-UHFFFAOYSA-N -1 1 333.409 3.574 20 0 EHADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000811838636 1136143501 /nfs/dbraw/zinc/14/35/01/1136143501.db2.gz QMRLMPMMWWDMQR-UHFFFAOYSA-N -1 1 346.836 3.787 20 0 EHADMM CSc1cc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c(C)o1 ZINC000850230244 1136224628 /nfs/dbraw/zinc/22/46/28/1136224628.db2.gz NCLPEJDKMXIHGE-UHFFFAOYSA-N -1 1 334.393 3.618 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000813446199 1136333348 /nfs/dbraw/zinc/33/33/48/1136333348.db2.gz VCIBAYKBVUTFJV-UHFFFAOYSA-N -1 1 344.396 3.583 20 0 EHADMM CC1(c2cc([N-]C(=O)c3ncoc3[C@H]3CCCO3)no2)CCCC1 ZINC001135372615 1136671374 /nfs/dbraw/zinc/67/13/74/1136671374.db2.gz BCTGHTCRPBSFAP-LLVKDONJSA-N -1 1 331.372 3.598 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C)c(=O)[n-]1 ZINC000816225043 1136690130 /nfs/dbraw/zinc/69/01/30/1136690130.db2.gz NPLRQRYESYGRAT-COPLHBTASA-N -1 1 338.473 3.513 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000816740932 1136751153 /nfs/dbraw/zinc/75/11/53/1136751153.db2.gz RISAJEYKUWNHSI-UHFFFAOYSA-N -1 1 335.454 3.545 20 0 EHADMM CC[C@@H](C)CO[N-]C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC000816976053 1136769166 /nfs/dbraw/zinc/76/91/66/1136769166.db2.gz VGFNHFKMJIMSJX-SSDOTTSWSA-N -1 1 342.408 3.700 20 0 EHADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc([O-])c1F ZINC001136099256 1136856958 /nfs/dbraw/zinc/85/69/58/1136856958.db2.gz WLKURPPDAKDBEY-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM CCN(Cc1ccc(OC)cc1)C(=O)c1ncc2ccccc2c1[O-] ZINC001136296810 1136974732 /nfs/dbraw/zinc/97/47/32/1136974732.db2.gz WFVNTELPANUCGX-UHFFFAOYSA-N -1 1 336.391 3.611 20 0 EHADMM CCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)c(OCCC)c1 ZINC000821012000 1137015687 /nfs/dbraw/zinc/01/56/87/1137015687.db2.gz AQQAFKFFEVNQHE-VQHVLOKHSA-N -1 1 344.411 3.939 20 0 EHADMM COC1(C(=O)Nc2cccc([O-])c2Br)CCCCCC1 ZINC000821375536 1137023489 /nfs/dbraw/zinc/02/34/89/1137023489.db2.gz WFELMHQHXYIGLK-UHFFFAOYSA-N -1 1 342.233 3.833 20 0 EHADMM CC(C)(CCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000859793519 1137030839 /nfs/dbraw/zinc/03/08/39/1137030839.db2.gz NOIGFHOZLCSTJO-CQSZACIVSA-N -1 1 345.361 3.580 20 0 EHADMM CC[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3cc(F)cc(F)c3[O-])cc2C1 ZINC000822977143 1137081708 /nfs/dbraw/zinc/08/17/08/1137081708.db2.gz LRHQQKRIDMCANO-VIFPVBQESA-N -1 1 348.349 3.538 20 0 EHADMM Cc1ccccc1[C@H](NC(=O)c1cnncc1[O-])[C@H]1CCC[C@H](C)C1 ZINC001136731809 1137104087 /nfs/dbraw/zinc/10/40/87/1137104087.db2.gz HRQIQPUBASKSBW-ZUEVXXBESA-N -1 1 339.439 3.788 20 0 EHADMM CC[C@H](CCc1ccccc1)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000862691132 1137154021 /nfs/dbraw/zinc/15/40/21/1137154021.db2.gz PNQHDVYKDAIYPC-MRXNPFEDSA-N -1 1 341.455 3.755 20 0 EHADMM CC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1OC ZINC000864851705 1137249200 /nfs/dbraw/zinc/24/92/00/1137249200.db2.gz WPNZULHYEHDCMQ-HNNXBMFYSA-N -1 1 333.815 3.864 20 0 EHADMM Cn1c(Cl)cnc1C[N-]c1nc([C@H]2CCCc3ccccc32)no1 ZINC000865294482 1137275347 /nfs/dbraw/zinc/27/53/47/1137275347.db2.gz KWWSCRBIUJJVPI-ZDUSSCGKSA-N -1 1 343.818 3.537 20 0 EHADMM [O-]c1cc(F)c(CN2CCC[C@@H](Sc3ccncc3)C2)c(F)c1 ZINC001144555107 1137308820 /nfs/dbraw/zinc/30/88/20/1137308820.db2.gz VRXJCYCGKUQIDM-CQSZACIVSA-N -1 1 336.407 3.822 20 0 EHADMM [O-]c1cc(F)c(CN2CC[C@H](Oc3cc(F)ccc3F)C2)cc1F ZINC001144666713 1137324843 /nfs/dbraw/zinc/32/48/43/1137324843.db2.gz MYHLRQWZEULOLH-LBPRGKRZSA-N -1 1 341.304 3.602 20 0 EHADMM Cn1ncc2c1nc(Sc1nc(C3CCCCC3)cs1)[n-]c2=O ZINC000866296385 1137343429 /nfs/dbraw/zinc/34/34/29/1137343429.db2.gz LAXDGEORWPWTAX-UHFFFAOYSA-N -1 1 347.469 3.724 20 0 EHADMM Cc1ccccc1[C@@H]1CN(Cc2ccccc2CC(=O)[O-])[C@@H](C)CO1 ZINC000846249890 1137343906 /nfs/dbraw/zinc/34/39/06/1137343906.db2.gz TVHHXMQKMJLQTF-JXFKEZNVSA-N -1 1 339.435 3.584 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC23CCCC3)c([O-])c1 ZINC000846302904 1137346300 /nfs/dbraw/zinc/34/63/00/1137346300.db2.gz LYZQYQPWOKCHIU-UHFFFAOYSA-N -1 1 346.427 3.898 20 0 EHADMM O=C(Nc1cccc(Oc2cccnn2)c1)c1c(F)ccc([O-])c1F ZINC001146577026 1137391928 /nfs/dbraw/zinc/39/19/28/1137391928.db2.gz VISOTCUYYMIBOF-UHFFFAOYSA-N -1 1 343.289 3.505 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)CC2=CCCCC2)c1 ZINC001146738871 1137393072 /nfs/dbraw/zinc/39/30/72/1137393072.db2.gz XBGJDPYANXVGLL-UHFFFAOYSA-N -1 1 340.217 3.992 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccccc3C3CC3)cc2)[n-]1 ZINC001148336651 1137422736 /nfs/dbraw/zinc/42/27/36/1137422736.db2.gz QLGHWIOISFGWGJ-UHFFFAOYSA-N -1 1 347.418 3.607 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc4cc(C)[nH]c4c3)cc2)[n-]1 ZINC001148338202 1137422794 /nfs/dbraw/zinc/42/27/94/1137422794.db2.gz UNDDXFFKXAHGSS-UHFFFAOYSA-N -1 1 346.390 3.841 20 0 EHADMM COCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001148449534 1137425126 /nfs/dbraw/zinc/42/51/26/1137425126.db2.gz OPANQSAJYNSREE-UHFFFAOYSA-N -1 1 325.286 3.810 20 0 EHADMM O=S(=O)([N-]c1cccc(C2SCCS2)c1)c1ccccc1 ZINC000017319993 1137433420 /nfs/dbraw/zinc/43/34/20/1137433420.db2.gz DQHIHCYWUKWHNF-UHFFFAOYSA-N -1 1 337.491 3.966 20 0 EHADMM Cc1nc2ccccn2c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790983 1137433774 /nfs/dbraw/zinc/43/37/74/1137433774.db2.gz YUJBJBLMIQXYJJ-UHFFFAOYSA-N -1 1 335.285 3.619 20 0 EHADMM O=C(Nc1nnc(-c2ccco2)o1)c1cccc(-c2ccccc2)c1[O-] ZINC001148860914 1137436454 /nfs/dbraw/zinc/43/64/54/1137436454.db2.gz BDXMHVZDVZGEGD-UHFFFAOYSA-N -1 1 347.330 3.955 20 0 EHADMM CC(=O)Nc1cc(NC(=O)c2cccc(-c3ccccc3)c2[O-])ccn1 ZINC001148861012 1137436570 /nfs/dbraw/zinc/43/65/70/1137436570.db2.gz GRIPERFLCFPADA-UHFFFAOYSA-N -1 1 347.374 3.665 20 0 EHADMM CCO[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCOC1 ZINC000869376160 1137448938 /nfs/dbraw/zinc/44/89/38/1137448938.db2.gz QGWVZGCAZIAPNZ-DIFFPNOSSA-N -1 1 349.814 3.579 20 0 EHADMM CCO[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCOC1 ZINC000869376161 1137448978 /nfs/dbraw/zinc/44/89/78/1137448978.db2.gz QGWVZGCAZIAPNZ-GTNSWQLSSA-N -1 1 349.814 3.579 20 0 EHADMM Cc1ccc(Cl)cc1-c1noc(-c2n[n-]nc2C(F)(F)F)n1 ZINC001212653089 1137548905 /nfs/dbraw/zinc/54/89/05/1137548905.db2.gz XECBSAOERQUPDS-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM CC(C)(C)n1cc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)cn1 ZINC000871883340 1137562432 /nfs/dbraw/zinc/56/24/32/1137562432.db2.gz KJGVGHYHJNEMSW-HNNXBMFYSA-N -1 1 335.835 3.597 20 0 EHADMM Cc1ccc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)cc1C(=O)[O-] ZINC000872156500 1137574224 /nfs/dbraw/zinc/57/42/24/1137574224.db2.gz AHHNHOSXTYQEBG-HNAYVOBHSA-N -1 1 325.408 3.655 20 0 EHADMM CCc1nc([C@H](C)NC(=O)NCc2ccc([O-])c(Cl)c2)cs1 ZINC000872888896 1137586051 /nfs/dbraw/zinc/58/60/51/1137586051.db2.gz SIBOCSNALRABLZ-VIFPVBQESA-N -1 1 339.848 3.625 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)NC[C@@H]1CCCCC1(F)F ZINC000873024770 1137588455 /nfs/dbraw/zinc/58/84/55/1137588455.db2.gz AUMYBDBNBRPEAE-NSHDSACASA-N -1 1 332.778 3.670 20 0 EHADMM Cc1nc(C(=O)[N-]c2nc(C(C)C)ns2)c(-c2ccccc2)o1 ZINC000874696483 1137621502 /nfs/dbraw/zinc/62/15/02/1137621502.db2.gz YSEPAJQGPSSWSH-UHFFFAOYSA-N -1 1 328.397 3.877 20 0 EHADMM CCOc1cc(C(=O)Nc2nc(C(C)C)ns2)cc(Cl)c1[O-] ZINC000874697626 1137621546 /nfs/dbraw/zinc/62/15/46/1137621546.db2.gz BORDUQKSUJQKML-UHFFFAOYSA-N -1 1 341.820 3.672 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000876398579 1137650884 /nfs/dbraw/zinc/65/08/84/1137650884.db2.gz GZFGYGYAFOOKRY-ZYHUDNBSSA-N -1 1 348.752 3.742 20 0 EHADMM O=S(=O)([N-]CC[C@H]1CCCC1(F)F)c1cc2ccccc2o1 ZINC000882595699 1137829995 /nfs/dbraw/zinc/82/99/95/1137829995.db2.gz ZIKPRGOPTAJLPW-GFCCVEGCSA-N -1 1 329.368 3.537 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)c3cc(F)ccc3O)cc2[nH]1 ZINC001626122895 1137870708 /nfs/dbraw/zinc/87/07/08/1137870708.db2.gz NGLYZDNVMLDBPO-UHFFFAOYSA-N -1 1 327.359 3.957 20 0 EHADMM CC(C)(C)c1nc2cc(NC(=O)c3cc(F)ccc3[O-])ccc2[nH]1 ZINC001626122895 1137870709 /nfs/dbraw/zinc/87/07/09/1137870709.db2.gz NGLYZDNVMLDBPO-UHFFFAOYSA-N -1 1 327.359 3.957 20 0 EHADMM C[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000332249354 1137937190 /nfs/dbraw/zinc/93/71/90/1137937190.db2.gz BXLBWBZJKGPWCA-SNVBAGLBSA-N -1 1 349.228 3.575 20 0 EHADMM Cc1cnc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000332395062 1137942696 /nfs/dbraw/zinc/94/26/96/1137942696.db2.gz OKCFYFAYZQOPMP-UHFFFAOYSA-N -1 1 348.805 3.850 20 0 EHADMM O=c1[n-]nc([C@@H]2CCCN(CCc3cccc(Cl)c3Cl)C2)o1 ZINC000332410759 1137943094 /nfs/dbraw/zinc/94/30/94/1137943094.db2.gz JTGJZQKARCPTME-LLVKDONJSA-N -1 1 342.226 3.504 20 0 EHADMM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ncc2ccccc2c1[O-] ZINC001137211965 1137963788 /nfs/dbraw/zinc/96/37/88/1137963788.db2.gz GGRZFTIDCAJUHP-HNNXBMFYSA-N -1 1 338.329 3.791 20 0 EHADMM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC000885676020 1138017746 /nfs/dbraw/zinc/01/77/46/1138017746.db2.gz GYZSQQFMRGSTAB-ZETCQYMHSA-N -1 1 344.795 3.991 20 0 EHADMM CSCCCCCCC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886269739 1138063379 /nfs/dbraw/zinc/06/33/79/1138063379.db2.gz FIYHDATYJDORGJ-UHFFFAOYSA-N -1 1 331.428 3.643 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCC2(C)C)c1 ZINC000077448429 1138139780 /nfs/dbraw/zinc/13/97/80/1138139780.db2.gz ZCQCKDRZNFTKKS-UHFFFAOYSA-N -1 1 344.484 3.707 20 0 EHADMM CC(C)n1c(CNC(=O)Nc2cccc(Cl)c2F)n[n-]c1=S ZINC000085550844 1138184506 /nfs/dbraw/zinc/18/45/06/1138184506.db2.gz RBYWCJVKDUVJSV-UHFFFAOYSA-N -1 1 343.815 3.636 20 0 EHADMM COc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])c(Cl)c2)cc1C ZINC000887318233 1138264116 /nfs/dbraw/zinc/26/41/16/1138264116.db2.gz HDAJXBLILYZTRW-GFCCVEGCSA-N -1 1 333.815 3.783 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1 ZINC000337149324 1138480145 /nfs/dbraw/zinc/48/01/45/1138480145.db2.gz HUFGHUQPMWXOSC-UHFFFAOYSA-N -1 1 333.384 3.707 20 0 EHADMM Cc1ccc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)o1 ZINC000338338731 1138840290 /nfs/dbraw/zinc/84/02/90/1138840290.db2.gz ZBOFZLGSIMFVPH-UHFFFAOYSA-N -1 1 330.771 3.767 20 0 EHADMM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc([O-])cc1F ZINC000181910238 1139939631 /nfs/dbraw/zinc/93/96/31/1139939631.db2.gz PWJVCZNZFGCHRB-AWEZNQCLSA-N -1 1 345.370 3.732 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(N3CCCCC3)nc2)no1 ZINC000184851284 1140122902 /nfs/dbraw/zinc/12/29/02/1140122902.db2.gz HTNWBFYXTHLBFS-UHFFFAOYSA-N -1 1 340.358 3.634 20 0 EHADMM CCc1cccc(C)c1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188143293 1140284764 /nfs/dbraw/zinc/28/47/64/1140284764.db2.gz XZYSVGYNEYGASZ-UHFFFAOYSA-N -1 1 343.452 3.661 20 0 EHADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccccc1Cl ZINC000188150667 1140285562 /nfs/dbraw/zinc/28/55/62/1140285562.db2.gz BNUULZONPLQIQC-VIFPVBQESA-N -1 1 349.843 3.832 20 0 EHADMM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000191189933 1140442730 /nfs/dbraw/zinc/44/27/30/1140442730.db2.gz ADCHFUXLXUPGII-TZMCWYRMSA-N -1 1 347.798 3.805 20 0 EHADMM COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000271240390 1141331989 /nfs/dbraw/zinc/33/19/89/1141331989.db2.gz YGIUSCKLCZUQTR-UHFFFAOYSA-N -1 1 342.395 3.735 20 0 EHADMM CC(C)c1ccc([C@@H](C)CC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000283243917 1141577874 /nfs/dbraw/zinc/57/78/74/1141577874.db2.gz QJQLHOVWSLDBOX-OLIJMITPSA-N -1 1 336.439 3.598 20 0 EHADMM CCc1ccc([C@H](C)Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736687248 598954745 /nfs/dbraw/zinc/95/47/45/598954745.db2.gz RYWWTYNEKQRETJ-LBPRGKRZSA-N -1 1 345.410 3.545 20 0 EHADMM CCc1ccc([C@H](C)Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736687248 598954746 /nfs/dbraw/zinc/95/47/46/598954746.db2.gz RYWWTYNEKQRETJ-LBPRGKRZSA-N -1 1 345.410 3.545 20 0 EHADMM O=C([O-])CCCCN1CCC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000262157512 597795603 /nfs/dbraw/zinc/79/56/03/597795603.db2.gz ARMYOFGEYYQAJP-INIZCTEOSA-N -1 1 331.391 3.608 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1nc2ccc(Cl)cc2n1C ZINC000820142197 598170943 /nfs/dbraw/zinc/17/09/43/598170943.db2.gz PKQSFOVEBTVBNT-NSHDSACASA-N -1 1 343.814 3.776 20 0 EHADMM CCCC[C@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736441371 598500787 /nfs/dbraw/zinc/50/07/87/598500787.db2.gz QKDIJKMFEMUAJO-IUCAKERBSA-N -1 1 326.857 3.747 20 0 EHADMM CCCC[C@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736441371 598500788 /nfs/dbraw/zinc/50/07/88/598500788.db2.gz QKDIJKMFEMUAJO-IUCAKERBSA-N -1 1 326.857 3.747 20 0 EHADMM Clc1ccc(NCc2csc3ccccc23)nc1-c1nnn[n-]1 ZINC000737576163 598575761 /nfs/dbraw/zinc/57/57/61/598575761.db2.gz WSYYANPZSGFNKE-UHFFFAOYSA-N -1 1 342.815 3.742 20 0 EHADMM Clc1ccc(NCc2csc3ccccc23)nc1-c1nn[n-]n1 ZINC000737576163 598575763 /nfs/dbraw/zinc/57/57/63/598575763.db2.gz WSYYANPZSGFNKE-UHFFFAOYSA-N -1 1 342.815 3.742 20 0 EHADMM CCC[C@@H]1CCCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736437624 598612883 /nfs/dbraw/zinc/61/28/83/598612883.db2.gz VWXZSAOBIFKCKY-RKDXNWHRSA-N -1 1 326.857 3.747 20 0 EHADMM CCC[C@@H]1CCCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736437624 598612885 /nfs/dbraw/zinc/61/28/85/598612885.db2.gz VWXZSAOBIFKCKY-RKDXNWHRSA-N -1 1 326.857 3.747 20 0 EHADMM COc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000821777402 599503329 /nfs/dbraw/zinc/50/33/29/599503329.db2.gz FAZMEHLYPWWILP-GFCCVEGCSA-N -1 1 346.394 3.597 20 0 EHADMM COc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000821777402 599503331 /nfs/dbraw/zinc/50/33/31/599503331.db2.gz FAZMEHLYPWWILP-GFCCVEGCSA-N -1 1 346.394 3.597 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1C(F)(F)F)c1cc(F)ccc1F ZINC000739504494 599788922 /nfs/dbraw/zinc/78/89/22/599788922.db2.gz KCMBUYHHDIAHEH-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@H](c2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738235246 600118084 /nfs/dbraw/zinc/11/80/84/600118084.db2.gz HMWSSMZXVOGDMJ-PBHICJAKSA-N -1 1 342.439 3.888 20 0 EHADMM COc1cccc(-c2nc(CN(CCC(=O)[O-])C(C)C)cs2)c1 ZINC000652478538 600221006 /nfs/dbraw/zinc/22/10/06/600221006.db2.gz IZBVSYSRMRFUSK-UHFFFAOYSA-N -1 1 334.441 3.504 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000738761769 600418497 /nfs/dbraw/zinc/41/84/97/600418497.db2.gz URIZSOJVQMUNLQ-JSGCOSHPSA-N -1 1 347.846 3.687 20 0 EHADMM CC(C)COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426783616 600741601 /nfs/dbraw/zinc/74/16/01/600741601.db2.gz JVNUECUDQDXVCP-SFHVURJKSA-N -1 1 331.387 3.776 20 0 EHADMM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC(CC(=O)[O-])CC1 ZINC000652465932 600793961 /nfs/dbraw/zinc/79/39/61/600793961.db2.gz VWTLUTFNMKCVJB-NSHDSACASA-N -1 1 349.818 3.638 20 0 EHADMM Cc1ccccc1[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000263577508 600833009 /nfs/dbraw/zinc/83/30/09/600833009.db2.gz RNFQBWMNMNOWME-KXBFYZLASA-N -1 1 325.408 3.655 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000738546625 601092765 /nfs/dbraw/zinc/09/27/65/601092765.db2.gz HTSLWTPIKBOVDB-UHFFFAOYSA-N -1 1 349.862 3.719 20 0 EHADMM CSCc1cc(F)ccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000832770875 601496738 /nfs/dbraw/zinc/49/67/38/601496738.db2.gz KVTVVGANXDMZER-MRXNPFEDSA-N -1 1 337.391 3.743 20 0 EHADMM COc1ccc(OC)c([C@H](C)NCc2cc(C(=O)[O-])sc2C)c1 ZINC000832431988 601615458 /nfs/dbraw/zinc/61/54/58/601615458.db2.gz WZWDHHIEHAQZFW-JTQLQIEISA-N -1 1 335.425 3.623 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000826052544 601656399 /nfs/dbraw/zinc/65/63/99/601656399.db2.gz GSFZLYNJZJKEHJ-BLLLJJGKSA-N -1 1 332.469 3.992 20 0 EHADMM CC(C)N(CCC(=O)[O-])Cc1csc(CCc2ccccc2)n1 ZINC000652477724 601839593 /nfs/dbraw/zinc/83/95/93/601839593.db2.gz JENQVTWPYJVOAY-UHFFFAOYSA-N -1 1 332.469 3.613 20 0 EHADMM CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000662218664 601840874 /nfs/dbraw/zinc/84/08/74/601840874.db2.gz QWHIMOXITVLELJ-HNNXBMFYSA-N -1 1 346.471 3.714 20 0 EHADMM Cc1ccccc1-c1noc([C@H](C)N2CCC(CCC(=O)[O-])CC2)n1 ZINC000565099802 601841004 /nfs/dbraw/zinc/84/10/04/601841004.db2.gz XYRKZJYGHCDYSD-AWEZNQCLSA-N -1 1 343.427 3.683 20 0 EHADMM O=C([O-])CCC1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000315374153 601841328 /nfs/dbraw/zinc/84/13/28/601841328.db2.gz CVRDDFNERZWGDV-UHFFFAOYSA-N -1 1 346.254 3.949 20 0 EHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000832933927 601973246 /nfs/dbraw/zinc/97/32/46/601973246.db2.gz LCFXIMXEZFRVBT-CQSZACIVSA-N -1 1 325.195 3.612 20 0 EHADMM C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(CCNC(=O)[O-])cc2)o1 ZINC000739090006 602003155 /nfs/dbraw/zinc/00/31/55/602003155.db2.gz MXDCMGBFNUAHCD-GUYCJALGSA-N -1 1 328.412 3.503 20 0 EHADMM CC(C)N(CCCNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000738848719 602650316 /nfs/dbraw/zinc/65/03/16/602650316.db2.gz RMLPLWVGZNAQML-UHFFFAOYSA-N -1 1 339.486 3.740 20 0 EHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739064684 603066745 /nfs/dbraw/zinc/06/67/45/603066745.db2.gz REOCLSWALSLSFZ-CQSZACIVSA-N -1 1 343.427 3.724 20 0 EHADMM C[C@H](C(=O)Nc1cccc(Cl)c1O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823711934 603612805 /nfs/dbraw/zinc/61/28/05/603612805.db2.gz GPZGBZBXZHOKEM-IINYFYTJSA-N -1 1 348.786 3.629 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000825272598 604188001 /nfs/dbraw/zinc/18/80/01/604188001.db2.gz MMTFPXFXWJITOF-HIFRSBDPSA-N -1 1 345.468 3.678 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)co2)cc1 ZINC000830155021 604199641 /nfs/dbraw/zinc/19/96/41/604199641.db2.gz LUZOFQGYLYVQMV-ZBFHGGJFSA-N -1 1 343.427 3.518 20 0 EHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2coc(-c3cccs3)n2)C1 ZINC000322198270 604928325 /nfs/dbraw/zinc/92/83/25/604928325.db2.gz SCKYEDGVELDKBO-LBPRGKRZSA-N -1 1 334.441 3.726 20 0 EHADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc2c(c1)OCCO2 ZINC000833643645 605096915 /nfs/dbraw/zinc/09/69/15/605096915.db2.gz CXLCDBFPWXSWAK-INIZCTEOSA-N -1 1 345.370 3.536 20 0 EHADMM COc1ccccc1[C@H](C)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829592021 605119859 /nfs/dbraw/zinc/11/98/59/605119859.db2.gz KOORJLXSNBNZIQ-KBPBESRZSA-N -1 1 328.412 3.875 20 0 EHADMM CC(C)[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000820028226 606442955 /nfs/dbraw/zinc/44/29/55/606442955.db2.gz XARHQDKUPAWNFY-AWEZNQCLSA-N -1 1 328.807 3.724 20 0 EHADMM CC(C)[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000820028226 606442956 /nfs/dbraw/zinc/44/29/56/606442956.db2.gz XARHQDKUPAWNFY-AWEZNQCLSA-N -1 1 328.807 3.724 20 0 EHADMM c1ccc2c(c1)cccc2[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826514674 607897697 /nfs/dbraw/zinc/89/76/97/607897697.db2.gz ZCYUSBISJVXZGR-SFHVURJKSA-N -1 1 342.406 3.756 20 0 EHADMM c1ccc2c(c1)cccc2[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826514674 607897698 /nfs/dbraw/zinc/89/76/98/607897698.db2.gz ZCYUSBISJVXZGR-SFHVURJKSA-N -1 1 342.406 3.756 20 0 EHADMM Clc1nsc(SCCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826354605 608184492 /nfs/dbraw/zinc/18/44/92/608184492.db2.gz MQZMGFFPIWRPCD-UHFFFAOYSA-N -1 1 337.861 3.702 20 0 EHADMM Clc1nsc(SCCCc2ccccc2)c1-c1nnn[n-]1 ZINC000826354605 608184491 /nfs/dbraw/zinc/18/44/91/608184491.db2.gz MQZMGFFPIWRPCD-UHFFFAOYSA-N -1 1 337.861 3.702 20 0 EHADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1C(F)(F)F ZINC000826271344 608872288 /nfs/dbraw/zinc/87/22/88/608872288.db2.gz NTAZVAMYPLXUPN-UHFFFAOYSA-N -1 1 339.346 3.868 20 0 EHADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825052422 609600916 /nfs/dbraw/zinc/60/09/16/609600916.db2.gz WFHPAYUYRHBPOJ-VHSXEESVSA-N -1 1 335.477 3.846 20 0 EHADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825052422 609600918 /nfs/dbraw/zinc/60/09/18/609600918.db2.gz WFHPAYUYRHBPOJ-VHSXEESVSA-N -1 1 335.477 3.846 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000324585574 971136216 /nfs/dbraw/zinc/13/62/16/971136216.db2.gz HJQPIGJHSBOIJN-CYBMUJFWSA-N -1 1 332.375 3.558 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccsc2Br)C1 ZINC000388729861 951338036 /nfs/dbraw/zinc/33/80/36/951338036.db2.gz CZCCKKGNCSUEKM-JTQLQIEISA-N -1 1 332.263 3.587 20 0 EHADMM O=C([O-])c1cccc(CN(Cc2ccccc2)Cc2ccccc2)n1 ZINC000381723950 971773667 /nfs/dbraw/zinc/77/36/67/971773667.db2.gz GTDDANXLEKLEAI-UHFFFAOYSA-N -1 1 332.403 3.982 20 0 EHADMM CN(CCC(=O)[O-])Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629361956 953822601 /nfs/dbraw/zinc/82/26/01/953822601.db2.gz OAEALOLYNUECKT-UHFFFAOYSA-N -1 1 329.183 3.555 20 0 EHADMM C[C@@H](CC(F)(F)F)NCc1ccc(C(=O)[O-])cc1Br ZINC000235177382 960394374 /nfs/dbraw/zinc/39/43/74/960394374.db2.gz ZNDBYZMYIHGRLC-ZETCQYMHSA-N -1 1 340.139 3.578 20 0 EHADMM CCCCc1nc2ccc(NC(=O)c3ccc(C(=O)[O-])s3)cc2[nH]1 ZINC000236945345 960806106 /nfs/dbraw/zinc/80/61/06/960806106.db2.gz XZDSFXYONKBIHK-UHFFFAOYSA-N -1 1 343.408 3.918 20 0 EHADMM Cc1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001574359524 961017831 /nfs/dbraw/zinc/01/78/31/961017831.db2.gz LSVFZCVBXZUAJU-WBVHZDCISA-N -1 1 342.439 3.740 20 0 EHADMM O=C([O-])c1cccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000263481057 962666996 /nfs/dbraw/zinc/66/69/96/962666996.db2.gz GHDJFDJCYSWOJR-UHFFFAOYSA-N -1 1 345.830 3.510 20 0 EHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2Br)C1 ZINC000263153007 967855623 /nfs/dbraw/zinc/85/56/23/967855623.db2.gz FMUAQSXKFHXBRO-GXSJLCMTSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000302485785 967915585 /nfs/dbraw/zinc/91/55/85/967915585.db2.gz IDDAYFBXBDAAJA-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@@H]1CN(Cc2ccc(Cl)c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000302485785 967915598 /nfs/dbraw/zinc/91/55/98/967915598.db2.gz IDDAYFBXBDAAJA-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1)C1CC1 ZINC000584290891 1032077993 /nfs/dbraw/zinc/07/79/93/1032077993.db2.gz NLMAMZUKYVVLAZ-CQSZACIVSA-N -1 1 336.363 3.932 20 0 EHADMM O=C([O-])CC[C@H](NCc1ccc(Br)o1)c1ccccc1 ZINC000417598602 973963863 /nfs/dbraw/zinc/96/38/63/973963863.db2.gz GHNZVHMOIXSIJR-ZDUSSCGKSA-N -1 1 338.201 3.738 20 0 EHADMM O=C([O-])[C@H](NCc1cc(F)cc(F)c1)c1ccc(Cl)c(F)c1 ZINC000426762864 974047349 /nfs/dbraw/zinc/04/73/49/974047349.db2.gz OBZSXSTZOZAWFR-CQSZACIVSA-N -1 1 329.705 3.673 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1csc(Cc2ccccc2)n1 ZINC000530175202 974363634 /nfs/dbraw/zinc/36/36/34/974363634.db2.gz OJNMTCUSIDEVII-MIFYACCESA-N -1 1 344.480 3.808 20 0 EHADMM Cc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1Br ZINC000577011784 974827323 /nfs/dbraw/zinc/82/73/23/974827323.db2.gz XQGVWYPKHITWQD-HNNXBMFYSA-N -1 1 334.213 3.673 20 0 EHADMM C[C@@H](CN(C)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C(=O)[O-] ZINC000629359240 975082136 /nfs/dbraw/zinc/08/21/36/975082136.db2.gz QVUPHUWBOPJNCT-VIFPVBQESA-N -1 1 343.210 3.801 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434836 975531056 /nfs/dbraw/zinc/53/10/56/975531056.db2.gz FZMRGIBOVVHPLB-CYBMUJFWSA-N -1 1 335.787 3.593 20 0 EHADMM COc1cc(CN2CCc3cccc(C(=O)[O-])c3C2)ccc1SC ZINC000652487488 975554570 /nfs/dbraw/zinc/55/45/70/975554570.db2.gz HIVLOMYQYFFOAL-UHFFFAOYSA-N -1 1 343.448 3.674 20 0 EHADMM COc1cc(Cl)ccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656763276 975692310 /nfs/dbraw/zinc/69/23/10/975692310.db2.gz ATJLLDLIZBIKRU-HRCADAONSA-N -1 1 337.847 3.814 20 0 EHADMM O=C([O-])c1ccc(-c2nc(CN3CCC[C@@H](CCF)C3)co2)cc1 ZINC000656763924 975694384 /nfs/dbraw/zinc/69/43/84/975694384.db2.gz UBFYLTNPWSSXSU-ZDUSSCGKSA-N -1 1 332.375 3.611 20 0 EHADMM CC(C)Oc1ccccc1[C@@H](C)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001591795880 976003193 /nfs/dbraw/zinc/00/31/93/976003193.db2.gz RKUNITWSTRGUIR-HIFRSBDPSA-N -1 1 343.427 3.554 20 0 EHADMM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000683176658 976078969 /nfs/dbraw/zinc/07/89/69/976078969.db2.gz NCQCYOYSWGXWSS-UHFFFAOYSA-N -1 1 334.213 3.746 20 0 EHADMM Cc1cc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc2cccnc12 ZINC000683174114 976079536 /nfs/dbraw/zinc/07/95/36/976079536.db2.gz PYICWRBNEYTLII-SFHVURJKSA-N -1 1 342.345 3.737 20 0 EHADMM CC[C@H](NCC(=O)c1cc(C(=O)[O-])[nH]c1C)c1ccc(Cl)cc1 ZINC001595285964 980359991 /nfs/dbraw/zinc/35/99/91/980359991.db2.gz ARWUGUCDBCQINE-AWEZNQCLSA-N -1 1 334.803 3.598 20 0 EHADMM CC[C@@H](NCC(=O)c1cc(C(=O)[O-])[nH]c1C)c1cc(C)ccc1C ZINC001595287198 980368065 /nfs/dbraw/zinc/36/80/65/980368065.db2.gz OUPUNGHNFNVWMS-MRXNPFEDSA-N -1 1 328.412 3.562 20 0 EHADMM CC(C)O[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000901908900 980621372 /nfs/dbraw/zinc/62/13/72/980621372.db2.gz XRNITSICIJIJJD-GXTWGEPZSA-N -1 1 334.441 3.658 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000902115580 980741791 /nfs/dbraw/zinc/74/17/91/980741791.db2.gz CHHMJJDCPXUEER-VIFPVBQESA-N -1 1 325.311 3.738 20 0 EHADMM COc1cc([C@@H](C)NCc2ccoc2C(=O)[O-])ccc1OC(C)C ZINC000902117562 980742530 /nfs/dbraw/zinc/74/25/30/980742530.db2.gz APIJRDXGHUNKLN-GFCCVEGCSA-N -1 1 333.384 3.624 20 0 EHADMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1cccc(OC(F)(F)F)c1 ZINC000902342987 980841819 /nfs/dbraw/zinc/84/18/19/980841819.db2.gz LTCHIOCCVOSGMK-SECBINFHSA-N -1 1 329.274 3.727 20 0 EHADMM CCc1oc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1C(=O)[O-] ZINC000902351625 980845906 /nfs/dbraw/zinc/84/59/06/980845906.db2.gz UAUJWNHXLFMKRD-RDTXWAMCSA-N -1 1 343.423 3.798 20 0 EHADMM O=C([O-])COc1ccc(CNCc2csc(C(F)(F)F)c2)cc1 ZINC000902446229 980890878 /nfs/dbraw/zinc/89/08/78/980890878.db2.gz SVIAWCCMNVBUFM-UHFFFAOYSA-N -1 1 345.342 3.520 20 0 EHADMM CC[C@H](C)CN(C)Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC000903892259 981024261 /nfs/dbraw/zinc/02/42/61/981024261.db2.gz ZKWBZRWXSLKGIW-JTQLQIEISA-N -1 1 344.249 3.634 20 0 EHADMM Cc1cc(CNCc2cccc(C(=O)[O-])c2)c(OC(F)F)cc1C ZINC000683170644 1014717187 /nfs/dbraw/zinc/71/71/87/1014717187.db2.gz WDLIPGIHQRBNQI-UHFFFAOYSA-N -1 1 335.350 3.893 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC001599942731 985475283 /nfs/dbraw/zinc/47/52/83/985475283.db2.gz BSFBEQHFTVUPNK-ACJLOTCBSA-N -1 1 340.423 3.642 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC[C@H](C(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599943360 985483653 /nfs/dbraw/zinc/48/36/53/985483653.db2.gz BRELKVJDYUKXHU-CABCVRRESA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@@H](CC(C)C)C2)c(C)c1C(=O)[O-] ZINC001599946024 985528961 /nfs/dbraw/zinc/52/89/61/985528961.db2.gz RQKWRBZZFKSPJI-GJZGRUSLSA-N -1 1 334.460 3.659 20 0 EHADMM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(F)cc1[O-] ZINC000533376777 1015157223 /nfs/dbraw/zinc/15/72/23/1015157223.db2.gz QUSBRRMLZDGQDC-UHFFFAOYSA-N -1 1 329.249 3.611 20 0 EHADMM CCOCc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001596951112 986116369 /nfs/dbraw/zinc/11/63/69/986116369.db2.gz UZZDVPBVLOAKSQ-KRWDZBQOSA-N -1 1 333.815 3.792 20 0 EHADMM CCOc1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])c(C)c1)CCO2 ZINC001597142897 986894416 /nfs/dbraw/zinc/89/44/16/986894416.db2.gz OWYHWCFLLUJGHT-GOSISDBHSA-N -1 1 341.407 3.705 20 0 EHADMM CCOc1cccc([C@@H](C)N[C@@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001597148517 986912471 /nfs/dbraw/zinc/91/24/71/986912471.db2.gz CKESYJSLYKFDOD-CABCVRRESA-N -1 1 343.423 3.961 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC000655276226 1015302964 /nfs/dbraw/zinc/30/29/64/1015302964.db2.gz CXZHGTOTIUSQBW-QGZVFWFLSA-N -1 1 325.408 3.719 20 0 EHADMM CCc1nc(C(C)C)ccc1CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001597652848 988700084 /nfs/dbraw/zinc/70/00/84/988700084.db2.gz SOAFOOKIBNAJQZ-HXUWFJFHSA-N -1 1 341.455 3.642 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC001597767806 989226070 /nfs/dbraw/zinc/22/60/70/989226070.db2.gz WKAXIUMGGDXRSY-NSHDSACASA-N -1 1 333.432 3.651 20 0 EHADMM COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1cncc(C(=O)[O-])c1 ZINC001599704561 991272673 /nfs/dbraw/zinc/27/26/73/991272673.db2.gz RJFROFGJTYWSJN-KSSFIOAISA-N -1 1 340.423 3.762 20 0 EHADMM COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1ccc(C(=O)[O-])cn1 ZINC001599704556 991272965 /nfs/dbraw/zinc/27/29/65/991272965.db2.gz RFBVZNRYESSMFI-KSSFIOAISA-N -1 1 340.423 3.762 20 0 EHADMM CC(C)C1(C)CCN(Cc2oc(Br)cc2C(=O)[O-])CC1 ZINC001591061360 991499390 /nfs/dbraw/zinc/49/93/90/991499390.db2.gz HUZDRTDGNRPWMZ-UHFFFAOYSA-N -1 1 344.249 3.998 20 0 EHADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1OCc1ccccc1 ZINC000339818995 1015693999 /nfs/dbraw/zinc/69/39/99/1015693999.db2.gz WVCWTUJRLYGTHH-OAHLLOKOSA-N -1 1 348.402 3.857 20 0 EHADMM CC(C)COc1cccc(CN2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001591401541 992473911 /nfs/dbraw/zinc/47/39/11/992473911.db2.gz JWAUVZKWOQIOJH-UHFFFAOYSA-N -1 1 339.435 3.978 20 0 EHADMM CN(Cc1csc(C(=O)[O-])c1)Cc1cccc(OC(F)(F)F)c1 ZINC001598527045 992732616 /nfs/dbraw/zinc/73/26/16/992732616.db2.gz PIQLXGBXRMGHRB-UHFFFAOYSA-N -1 1 345.342 3.977 20 0 EHADMM COc1ccsc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000339850356 1015751081 /nfs/dbraw/zinc/75/10/81/1015751081.db2.gz QTGFJUAAFOOCFW-UHFFFAOYSA-N -1 1 339.829 3.536 20 0 EHADMM COc1ccc2c(c1)C[C@@H](C)N(Cc1cc(C(=O)[O-])c(C)o1)[C@@H]2C ZINC001599625363 994139909 /nfs/dbraw/zinc/13/99/09/994139909.db2.gz BYOUCGVKBNKITD-VXGBXAGGSA-N -1 1 329.396 3.803 20 0 EHADMM C[C@H](N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC001593197445 994163925 /nfs/dbraw/zinc/16/39/25/994163925.db2.gz KDGQQLVIRNWXKP-DZKIICNBSA-N -1 1 344.455 3.955 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1cc(C(=O)[O-])c(C)n1C)[C@H]2C ZINC001599627356 994168342 /nfs/dbraw/zinc/16/83/42/994168342.db2.gz WDAZUQIABOQZHF-JSGCOSHPSA-N -1 1 342.439 3.548 20 0 EHADMM C[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC001593198540 994173082 /nfs/dbraw/zinc/17/30/82/994173082.db2.gz SIOAMCQRSVAKSD-WDEREUQCSA-N -1 1 336.338 3.793 20 0 EHADMM C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccc1OCC(=O)[O-] ZINC001593232271 994383334 /nfs/dbraw/zinc/38/33/34/994383334.db2.gz NETRIMFINGXGPU-YVEFUNNKSA-N -1 1 329.371 3.627 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)c1cncs1 ZINC001593295578 994692515 /nfs/dbraw/zinc/69/25/15/994692515.db2.gz GNMMMRXDJFYQGQ-QMMMGPOBSA-N -1 1 330.331 3.711 20 0 EHADMM COc1cccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1Cl ZINC001599674800 994879537 /nfs/dbraw/zinc/87/95/37/994879537.db2.gz ZNJINJPIFRXNQZ-QGZVFWFLSA-N -1 1 333.815 3.881 20 0 EHADMM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cncc([O-])c1 ZINC000339914931 1015908335 /nfs/dbraw/zinc/90/83/35/1015908335.db2.gz YHCLKBLPRKEUID-VIFPVBQESA-N -1 1 337.206 3.854 20 0 EHADMM C[C@@H](N[C@H]1C[C@H](Sc2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC001593359550 995018667 /nfs/dbraw/zinc/01/86/67/995018667.db2.gz IIRTZSQXHOAZIN-NQBHXWOUSA-N -1 1 334.466 3.815 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1F ZINC000180516460 1015969626 /nfs/dbraw/zinc/96/96/26/1015969626.db2.gz MBVYTOCOSPZMFN-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM C[C@H](Oc1ccccc1CN(C)Cc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC001593646473 995985180 /nfs/dbraw/zinc/98/51/80/995985180.db2.gz XUSNOSYDZZGNAB-AWEZNQCLSA-N -1 1 338.407 3.652 20 0 EHADMM C[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1C(=O)[O-])C1CC1 ZINC001593711244 996211347 /nfs/dbraw/zinc/21/13/47/996211347.db2.gz RVEDWYSOYLXVDZ-AWEZNQCLSA-N -1 1 338.407 3.549 20 0 EHADMM COCc1csc(CNCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599299843 997211878 /nfs/dbraw/zinc/21/18/78/997211878.db2.gz ITKAVCVGLXJMLQ-UHFFFAOYSA-N -1 1 325.817 3.536 20 0 EHADMM COc1cc(Cl)ccc1[C@@H](C)NCc1cccc(OCC(=O)[O-])c1 ZINC001599421548 997603514 /nfs/dbraw/zinc/60/35/14/997603514.db2.gz WYJWZYUUFWCRAL-GFCCVEGCSA-N -1 1 349.814 3.663 20 0 EHADMM COc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c([O-])c1 ZINC000536691836 1032142326 /nfs/dbraw/zinc/14/23/26/1032142326.db2.gz ZNUXSYHAXMKUIL-GFCCVEGCSA-N -1 1 329.421 3.932 20 0 EHADMM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC001594288684 999115882 /nfs/dbraw/zinc/11/58/82/999115882.db2.gz DGRPWAPRQVZVMI-UHFFFAOYSA-N -1 1 347.733 3.614 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc3cnncc32)cc(Cl)c1[O-] ZINC000683363252 1016357457 /nfs/dbraw/zinc/35/74/57/1016357457.db2.gz YUPFNYAZMJXCMM-UHFFFAOYSA-N -1 1 343.770 3.640 20 0 EHADMM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000016594688 1016572771 /nfs/dbraw/zinc/57/27/71/1016572771.db2.gz UQOVWTKXQWAMCS-UHFFFAOYSA-N -1 1 348.402 3.565 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c1 ZINC000182912266 1032150004 /nfs/dbraw/zinc/15/00/04/1032150004.db2.gz SJFBVDOUXPSGNY-UWVGGRQHSA-N -1 1 342.233 3.605 20 0 EHADMM CC1CCC(N(C)C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000179246624 1016861829 /nfs/dbraw/zinc/86/18/29/1016861829.db2.gz SRFAIHBNXRTSPY-UHFFFAOYSA-N -1 1 326.234 3.805 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000112333341 1016885413 /nfs/dbraw/zinc/88/54/13/1016885413.db2.gz CSKZPMWMBOAFLK-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM O=C(NCCSc1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000181061761 1016914422 /nfs/dbraw/zinc/91/44/22/1016914422.db2.gz LNQIXSQXVXGEKP-UHFFFAOYSA-N -1 1 325.792 3.707 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(N2CCCCCC2)nc1 ZINC000340331371 1016956690 /nfs/dbraw/zinc/95/66/90/1016956690.db2.gz VYPGNIMCEYVYLN-UHFFFAOYSA-N -1 1 329.375 3.559 20 0 EHADMM O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccc(F)cc1[O-] ZINC000340331510 1016956832 /nfs/dbraw/zinc/95/68/32/1016956832.db2.gz QFLCUYCKUJXOQC-UHFFFAOYSA-N -1 1 330.290 3.507 20 0 EHADMM Cc1ccc(Cl)cc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188133053 1017061083 /nfs/dbraw/zinc/06/10/83/1017061083.db2.gz IPEBUWWFAKVGGG-UHFFFAOYSA-N -1 1 349.843 3.752 20 0 EHADMM CSc1ccc([O-])c(-c2nc(COc3ccc(F)cc3)no2)c1 ZINC000904662154 1032186326 /nfs/dbraw/zinc/18/63/26/1032186326.db2.gz HVFLZNPKKWNIID-UHFFFAOYSA-N -1 1 332.356 3.882 20 0 EHADMM CCCc1nnc([N-]C(=O)c2cc(-c3ccccc3F)on2)s1 ZINC000030039243 1032318965 /nfs/dbraw/zinc/31/89/65/1032318965.db2.gz CKQMNDCUXNKESF-UHFFFAOYSA-N -1 1 332.360 3.537 20 0 EHADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)ccc12 ZINC000461329588 1032401479 /nfs/dbraw/zinc/40/14/79/1032401479.db2.gz CYNHPOIZOBCLMZ-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000324587731 1017222403 /nfs/dbraw/zinc/22/24/03/1017222403.db2.gz HWQLFJXCULABCF-ZDUSSCGKSA-N -1 1 332.375 3.558 20 0 EHADMM O=c1cc(C2CC2)nc(S[C@H]2CCCc3ccccc3C2=O)[n-]1 ZINC000683454227 1017223648 /nfs/dbraw/zinc/22/36/48/1017223648.db2.gz FPWLLTXIJZVTMU-HNNXBMFYSA-N -1 1 326.421 3.740 20 0 EHADMM CCCc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1Cl ZINC000472784544 1017921249 /nfs/dbraw/zinc/92/12/49/1017921249.db2.gz HYQUWDRCXFEKLJ-UHFFFAOYSA-N -1 1 332.713 3.682 20 0 EHADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377535432 1017954877 /nfs/dbraw/zinc/95/48/77/1017954877.db2.gz HGZKTDJAHOJTOS-VIFPVBQESA-N -1 1 341.242 3.758 20 0 EHADMM CC[C@@H](C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119254 1018058678 /nfs/dbraw/zinc/05/86/78/1018058678.db2.gz SUAYVGCQQLURIL-CYBMUJFWSA-N -1 1 346.452 3.780 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 ZINC000028791165 1018820990 /nfs/dbraw/zinc/82/09/90/1018820990.db2.gz FVTRJPFGJMZPMB-UHFFFAOYSA-N -1 1 345.420 3.919 20 0 EHADMM O=S(=O)(CCC1CC1)[N-]c1cc(F)ccc1SCC(F)F ZINC000092276464 1032789362 /nfs/dbraw/zinc/78/93/62/1032789362.db2.gz CEYMYNVDKKVOLU-UHFFFAOYSA-N -1 1 339.404 3.725 20 0 EHADMM Cc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc(C)c1C ZINC001167935891 1019208778 /nfs/dbraw/zinc/20/87/78/1019208778.db2.gz UDQGMAQGCVYACS-UHFFFAOYSA-N -1 1 331.352 3.697 20 0 EHADMM COc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)c(Cl)c1 ZINC000340679891 1019209015 /nfs/dbraw/zinc/20/90/15/1019209015.db2.gz JPDCYZDQSXXRSD-SFHVURJKSA-N -1 1 349.789 3.504 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CCC(Oc2ccccc2F)CC1 ZINC000634696371 1019280445 /nfs/dbraw/zinc/28/04/45/1019280445.db2.gz VGNGXZPAUPIDFO-UHFFFAOYSA-N -1 1 347.361 3.706 20 0 EHADMM O=S(=O)([N-]c1ccc2nccn2c1)c1ccccc1-c1ccccc1 ZINC000606751664 1032829326 /nfs/dbraw/zinc/82/93/26/1032829326.db2.gz BWCLSJWTJLCCOF-UHFFFAOYSA-N -1 1 349.415 3.802 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1OC(F)F ZINC000513389145 1019597871 /nfs/dbraw/zinc/59/78/71/1019597871.db2.gz HUTBQWBEERGKCF-UHFFFAOYSA-N -1 1 349.305 3.675 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCCc2sccc21 ZINC000433979048 1019839349 /nfs/dbraw/zinc/83/93/49/1019839349.db2.gz APAVNXWOLFWIGF-LLVKDONJSA-N -1 1 329.450 3.680 20 0 EHADMM COC(=O)c1nc(C(=O)[N-]c2cc(Cl)ccc2SC)cs1 ZINC001125475105 1020037558 /nfs/dbraw/zinc/03/75/58/1020037558.db2.gz NMSGQNIBSUSFBQ-UHFFFAOYSA-N -1 1 342.829 3.557 20 0 EHADMM Cc1nc(-c2ccc(N3Cc4ccccc4[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000340805925 1020054911 /nfs/dbraw/zinc/05/49/11/1020054911.db2.gz VHBCJSKGADEKNQ-AWEZNQCLSA-N -1 1 332.407 3.942 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000048230767 1020382604 /nfs/dbraw/zinc/38/26/04/1020382604.db2.gz NMHDRTVTKBPUCL-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1Br ZINC000006315891 1020433026 /nfs/dbraw/zinc/43/30/26/1020433026.db2.gz FEMFDGNDNYQPBL-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000341035795 1020894861 /nfs/dbraw/zinc/89/48/61/1020894861.db2.gz FGBTZKXLLCKWIC-ARJAWSKDSA-N -1 1 348.399 3.618 20 0 EHADMM CCc1cccc2c(CCNC(=O)c3c(F)ccc([O-])c3F)c[nH]c21 ZINC000581575086 1021100157 /nfs/dbraw/zinc/10/01/57/1021100157.db2.gz AYOLYFRVHSTCNM-UHFFFAOYSA-N -1 1 344.361 3.687 20 0 EHADMM COc1cc(C)c(NC(=O)c2cc(NC(C)=O)ccc2[O-])c(C)c1C ZINC000436776801 1021204536 /nfs/dbraw/zinc/20/45/36/1021204536.db2.gz AIIVCVFNZVRYRB-UHFFFAOYSA-N -1 1 342.395 3.537 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2ccccc2cc1O ZINC000436779894 1021209141 /nfs/dbraw/zinc/20/91/41/1021209141.db2.gz XSWWFHLHZVQVHC-UHFFFAOYSA-N -1 1 345.358 3.893 20 0 EHADMM COc1ccc(C(=O)N(C)c2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC000436772122 1021219134 /nfs/dbraw/zinc/21/91/34/1021219134.db2.gz MUGRLSSACFMBKH-UHFFFAOYSA-N -1 1 341.285 3.576 20 0 EHADMM O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1ccc([O-])cc1F ZINC000436784787 1021225008 /nfs/dbraw/zinc/22/50/08/1021225008.db2.gz RCRVLXHEFBSTOK-UHFFFAOYSA-N -1 1 337.753 4.000 20 0 EHADMM Cc1cc(F)ccc1C1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000436790448 1021234922 /nfs/dbraw/zinc/23/49/22/1021234922.db2.gz HQNUJUBDNWQLNA-UHFFFAOYSA-N -1 1 331.362 3.999 20 0 EHADMM O=C(NCc1cccc2cc[nH]c21)c1cc(Br)ccc1[O-] ZINC000436837724 1021271996 /nfs/dbraw/zinc/27/19/96/1021271996.db2.gz HEVOAVQAHWFRCJ-UHFFFAOYSA-N -1 1 345.196 3.566 20 0 EHADMM C[C@@H](Oc1ccccc1NC(=O)c1ccc(O)cc1[O-])C(F)(F)F ZINC000436855104 1021280861 /nfs/dbraw/zinc/28/08/61/1021280861.db2.gz PEGKPGWWYJDIQU-SECBINFHSA-N -1 1 341.285 3.680 20 0 EHADMM CCc1ccc(C(=O)Nc2ncc(-c3ccccn3)s2)c([O-])c1 ZINC000436839409 1021283915 /nfs/dbraw/zinc/28/39/15/1021283915.db2.gz MDBLXVRDQNWRHP-UHFFFAOYSA-N -1 1 325.393 3.725 20 0 EHADMM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436846522 1021291875 /nfs/dbraw/zinc/29/18/75/1021291875.db2.gz HHRYGLLDHGDVQF-LLVKDONJSA-N -1 1 343.814 3.906 20 0 EHADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4cc[nH]c4c3)cc2s1 ZINC000427303418 1021298520 /nfs/dbraw/zinc/29/85/20/1021298520.db2.gz ZYEYVDMLXDUPFC-UHFFFAOYSA-N -1 1 343.433 3.887 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1Cl ZINC000607030430 1032966556 /nfs/dbraw/zinc/96/65/56/1032966556.db2.gz KTAHWIAZFCZWRV-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM O=c1[nH]c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)ccc2o1 ZINC000436868582 1021308827 /nfs/dbraw/zinc/30/88/27/1021308827.db2.gz AFIYQMTWQHYRNX-UHFFFAOYSA-N -1 1 329.699 3.609 20 0 EHADMM [O-]c1ccc(-c2noc(-c3n[nH]nc3-c3ccccc3)n2)c(Cl)c1 ZINC000436872631 1021315494 /nfs/dbraw/zinc/31/54/94/1021315494.db2.gz NDBHHJPBJSDMNK-UHFFFAOYSA-N -1 1 339.742 3.548 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H]3CCCN3c3ccccc3)n2)c(F)c1 ZINC000436875208 1021316924 /nfs/dbraw/zinc/31/69/24/1021316924.db2.gz SYQJBMADCYUSSZ-INIZCTEOSA-N -1 1 325.343 3.923 20 0 EHADMM CC[C@@H](C)Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436875239 1021317242 /nfs/dbraw/zinc/31/72/42/1021317242.db2.gz UDIPLTCJILBVDK-MRVPVSSYSA-N -1 1 341.205 3.802 20 0 EHADMM CCCN(C(=O)c1ccc([O-])cc1F)[C@H]1CCc2ccccc2C1 ZINC000436877543 1021327239 /nfs/dbraw/zinc/32/72/39/1021327239.db2.gz ACLYMPJBQONDSV-INIZCTEOSA-N -1 1 327.399 3.941 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1Cl ZINC000106701865 1032973937 /nfs/dbraw/zinc/97/39/37/1032973937.db2.gz QMPUPMGJNWNVFT-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM CC1(C)[C@H](NC(=O)c2ccc([O-])cc2F)C[C@H]1OCc1ccccc1 ZINC000436916453 1021375285 /nfs/dbraw/zinc/37/52/85/1021375285.db2.gz WKLCVQXBMYEXHN-QZTJIDSGSA-N -1 1 343.398 3.645 20 0 EHADMM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1c([O-])cccc1F ZINC000436918783 1021376364 /nfs/dbraw/zinc/37/63/64/1021376364.db2.gz KCAWUHHSKIZHTL-ZDUSSCGKSA-N -1 1 349.230 3.843 20 0 EHADMM CCSCC[C@@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000436922706 1021379405 /nfs/dbraw/zinc/37/94/05/1021379405.db2.gz ZRTYRCWEDMVSBC-SNVBAGLBSA-N -1 1 346.290 3.758 20 0 EHADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436922396 1021382492 /nfs/dbraw/zinc/38/24/92/1021382492.db2.gz NDHSYPHXUSIXNM-GHMZBOCLSA-N -1 1 326.234 3.805 20 0 EHADMM COc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)c2ccccc2n1 ZINC000436941905 1021403762 /nfs/dbraw/zinc/40/37/62/1021403762.db2.gz GTHQSJRLZLLYOY-UHFFFAOYSA-N -1 1 337.310 3.805 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCCc3ccsc3)no2)c1 ZINC000436947352 1021407800 /nfs/dbraw/zinc/40/78/00/1021407800.db2.gz LVZWUFGGMFCNQR-UHFFFAOYSA-N -1 1 343.408 3.637 20 0 EHADMM CC[C@@H](CC(F)(F)F)NC(=O)c1cc(Br)ccc1[O-] ZINC000436977919 1021434506 /nfs/dbraw/zinc/43/45/06/1021434506.db2.gz FXWQDVNDKPAGRZ-QMMMGPOBSA-N -1 1 340.139 3.616 20 0 EHADMM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccccc1[O-] ZINC000436987731 1021443097 /nfs/dbraw/zinc/44/30/97/1021443097.db2.gz VRDGAAYUYMTLDL-UHFFFAOYSA-N -1 1 328.265 3.758 20 0 EHADMM O=C(Nc1ccc(COc2ccccc2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436989907 1021444504 /nfs/dbraw/zinc/44/45/04/1021444504.db2.gz NLSREQGCSZUZQF-UHFFFAOYSA-N -1 1 347.370 3.793 20 0 EHADMM COc1ccc(NC(=O)c2ccc([O-])cc2F)c(C(F)(F)F)c1 ZINC000436985766 1021457483 /nfs/dbraw/zinc/45/74/83/1021457483.db2.gz PCPIFJGKZBZSAB-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM COCCNc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000437003388 1021458901 /nfs/dbraw/zinc/45/89/01/1021458901.db2.gz VDZUKJQLCSHHJX-UHFFFAOYSA-N -1 1 336.391 3.856 20 0 EHADMM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ncccc1[O-] ZINC000426452469 1021621488 /nfs/dbraw/zinc/62/14/88/1021621488.db2.gz WFGJEVIFXQISNX-SECBINFHSA-N -1 1 325.195 3.927 20 0 EHADMM CCc1ccc(-c2nc(CN3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000516970105 1021904142 /nfs/dbraw/zinc/90/41/42/1021904142.db2.gz XXWJKLCAOHXQDG-DYVFJYSZSA-N -1 1 344.480 3.915 20 0 EHADMM Cc1cc(CN2CCC(Oc3ccc(C)c(C)c3)CC2)oc1C(=O)[O-] ZINC000517035502 1021962046 /nfs/dbraw/zinc/96/20/46/1021962046.db2.gz LINZEAZXNSOJLH-UHFFFAOYSA-N -1 1 343.423 3.946 20 0 EHADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000290506175 1022037794 /nfs/dbraw/zinc/03/77/94/1022037794.db2.gz IAJRQQPTFGSSRW-UHFFFAOYSA-N -1 1 339.844 3.904 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCCS2)c1 ZINC000341559044 1022331008 /nfs/dbraw/zinc/33/10/08/1022331008.db2.gz ICPRIOLPCQIGRP-LLVKDONJSA-N -1 1 330.247 3.687 20 0 EHADMM COCCn1c2ccccc2nc1-c1ccc([O-])c(Br)c1 ZINC000048880403 1022407919 /nfs/dbraw/zinc/40/79/19/1022407919.db2.gz UXBWUZKZDVCMPN-UHFFFAOYSA-N -1 1 347.212 3.818 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000895049233 1022591131 /nfs/dbraw/zinc/59/11/31/1022591131.db2.gz HWKXLXAMUMMDSB-SOUVJXGZSA-N -1 1 331.460 3.703 20 0 EHADMM CC1(C)CCCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000438508198 1022747328 /nfs/dbraw/zinc/74/73/28/1022747328.db2.gz VSORHGOBKZWQPD-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM Cc1ccc([C@@H](NCc2ccc(C)cc2Br)C(=O)[O-])cc1 ZINC000426710096 1022994215 /nfs/dbraw/zinc/99/42/15/1022994215.db2.gz HPVDMDLKSWMUTL-MRXNPFEDSA-N -1 1 348.240 3.981 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1Cl ZINC000438796283 1023002348 /nfs/dbraw/zinc/00/23/48/1023002348.db2.gz MGYXYWDWRKZMHV-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)cc2F)c1 ZINC000426768974 1023032081 /nfs/dbraw/zinc/03/20/81/1023032081.db2.gz DWGMLOUXYALENB-MRXNPFEDSA-N -1 1 337.778 3.793 20 0 EHADMM O=C([O-])[C@H](NCc1cc(Cl)cc2cccnc21)c1ccccc1F ZINC000426781303 1023040924 /nfs/dbraw/zinc/04/09/24/1023040924.db2.gz BCGJOJMTYMKLNL-QGZVFWFLSA-N -1 1 344.773 3.943 20 0 EHADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1Cl)c1ccc(O)cc1 ZINC000426783072 1023042786 /nfs/dbraw/zinc/04/27/86/1023042786.db2.gz JEKXYMAAXALMAP-CQSZACIVSA-N -1 1 326.179 3.615 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Br)s2)o1 ZINC000426806375 1023046427 /nfs/dbraw/zinc/04/64/27/1023046427.db2.gz BTZBALADRNJBHV-JTQLQIEISA-N -1 1 344.230 3.718 20 0 EHADMM COc1ccc(C)cc1CN[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426809804 1023059729 /nfs/dbraw/zinc/05/97/29/1023059729.db2.gz WMGJVKJRMIWEKZ-MRXNPFEDSA-N -1 1 333.815 3.963 20 0 EHADMM CCC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(F)cc1F ZINC000438873565 1023103723 /nfs/dbraw/zinc/10/37/23/1023103723.db2.gz AAFRWVZXLVWOPW-MRXNPFEDSA-N -1 1 333.334 3.511 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000427099356 1023214588 /nfs/dbraw/zinc/21/45/88/1023214588.db2.gz GIXXREYMSDVJAN-UHFFFAOYSA-N -1 1 348.449 3.552 20 0 EHADMM CCCc1nc(C(=O)Nc2cc(C)cc(Br)c2[O-])co1 ZINC000546126791 1023265112 /nfs/dbraw/zinc/26/51/12/1023265112.db2.gz HPVOAUUKMOCTFS-UHFFFAOYSA-N -1 1 339.189 3.656 20 0 EHADMM CCc1noc(-c2ccc(C)c(NC(=O)c3cc(F)ccc3[O-])c2)n1 ZINC000092423732 1023413350 /nfs/dbraw/zinc/41/33/50/1023413350.db2.gz UZAUGLGLLJUJNJ-UHFFFAOYSA-N -1 1 341.342 3.704 20 0 EHADMM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000133478532 1023490555 /nfs/dbraw/zinc/49/05/55/1023490555.db2.gz ROQMSFMVFDPCGP-WDEREUQCSA-N -1 1 344.274 3.559 20 0 EHADMM O=C([O-])C[C@H](NCc1sccc1Br)c1ccsc1 ZINC000276979019 1023530645 /nfs/dbraw/zinc/53/06/45/1023530645.db2.gz IBWPPRCSIVRZBE-JTQLQIEISA-N -1 1 346.271 3.878 20 0 EHADMM COc1ccc2c(c1)CCCN2C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000843782739 1024030546 /nfs/dbraw/zinc/03/05/46/1024030546.db2.gz SLDWGHNDCRDJTH-UHFFFAOYSA-N -1 1 347.798 3.656 20 0 EHADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000443943720 1024142016 /nfs/dbraw/zinc/14/20/16/1024142016.db2.gz LWVBLZBBADQOSN-KWQFWETISA-N -1 1 329.771 3.595 20 0 EHADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)s1)C(F)(F)F ZINC000443946049 1024144956 /nfs/dbraw/zinc/14/49/56/1024144956.db2.gz XMODBULTFGNSAU-RDDDGLTNSA-N -1 1 329.409 3.620 20 0 EHADMM CN(Cc1ccccc1Cl)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000007266182 1024146454 /nfs/dbraw/zinc/14/64/54/1024146454.db2.gz AVKOIIIRLLBEHM-UHFFFAOYSA-N -1 1 329.783 3.784 20 0 EHADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000434633392 1024214187 /nfs/dbraw/zinc/21/41/87/1024214187.db2.gz HGBQQLHXXKPIDH-UHFFFAOYSA-N -1 1 345.342 3.530 20 0 EHADMM O=C(N[C@H](c1ccccc1)C1CCCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000520737423 1024574597 /nfs/dbraw/zinc/57/45/97/1024574597.db2.gz PRYGNVMYMJNQRV-GOSISDBHSA-N -1 1 347.418 3.584 20 0 EHADMM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000425277442 1024609282 /nfs/dbraw/zinc/60/92/82/1024609282.db2.gz FEJBXKWICMYRNW-KRWDZBQOSA-N -1 1 329.371 3.570 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1OC(F)F ZINC000114674317 1024731343 /nfs/dbraw/zinc/73/13/43/1024731343.db2.gz YCIMPQFRNWOJJZ-UHFFFAOYSA-N -1 1 331.315 3.536 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@]2(CCSC2)C1 ZINC000897932504 1033232429 /nfs/dbraw/zinc/23/24/29/1033232429.db2.gz JWLIGZWFPBUOOS-LJQANCHMSA-N -1 1 343.448 3.610 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cn1 ZINC000431320729 1024798959 /nfs/dbraw/zinc/79/89/59/1024798959.db2.gz NROMTNAWYQATMI-UHFFFAOYSA-N -1 1 334.441 3.616 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000346490699 1024800502 /nfs/dbraw/zinc/80/05/02/1024800502.db2.gz TZDQKWAIMGTVAY-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000507981356 1024805678 /nfs/dbraw/zinc/80/56/78/1024805678.db2.gz YGCKGFFTLARUED-UHFFFAOYSA-N -1 1 325.455 3.974 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c1 ZINC000611910893 1033246045 /nfs/dbraw/zinc/24/60/45/1033246045.db2.gz MOZBFNKMIJVYDM-GFCCVEGCSA-N -1 1 329.421 3.850 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C ZINC000435720640 1025105054 /nfs/dbraw/zinc/10/50/54/1025105054.db2.gz CJINYWWAQZGYEE-UHFFFAOYSA-N -1 1 348.449 3.723 20 0 EHADMM CCSc1ccccc1CN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934268486 1025183148 /nfs/dbraw/zinc/18/31/48/1025183148.db2.gz CCYUVEVDRBLHRV-AWEZNQCLSA-N -1 1 345.468 3.640 20 0 EHADMM CCCO[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000896267578 1025302366 /nfs/dbraw/zinc/30/23/66/1025302366.db2.gz LNHKNUMFKDEUIV-MRXNPFEDSA-N -1 1 343.423 3.672 20 0 EHADMM Cc1cnc(SCC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)[n-]c1=O ZINC000629179871 1025320408 /nfs/dbraw/zinc/32/04/08/1025320408.db2.gz IFZSEBLAAKPPDJ-NXEZZACHSA-N -1 1 334.363 3.521 20 0 EHADMM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cc2ccccc2s1 ZINC000022902783 1025324396 /nfs/dbraw/zinc/32/43/96/1025324396.db2.gz QHJNWTALVNXHDF-UHFFFAOYSA-N -1 1 330.796 3.630 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(C)cc(C)c2)c1OC ZINC000277488625 1025363413 /nfs/dbraw/zinc/36/34/13/1025363413.db2.gz WXPVTGSVVHFLMT-QGZVFWFLSA-N -1 1 343.423 3.626 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CCC1 ZINC000684763487 1025367809 /nfs/dbraw/zinc/36/78/09/1025367809.db2.gz QAGMIOFSVICWAB-SSDOTTSWSA-N -1 1 326.220 3.599 20 0 EHADMM C[C@H]1[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCN1c1ccccc1 ZINC000474733326 1025400367 /nfs/dbraw/zinc/40/03/67/1025400367.db2.gz DYRZKYXRRIZOLQ-SWLSCSKDSA-N -1 1 330.815 3.899 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)c1 ZINC000451074538 1025500961 /nfs/dbraw/zinc/50/09/61/1025500961.db2.gz QGIBJHSUUDXUEZ-UHFFFAOYSA-N -1 1 329.421 3.623 20 0 EHADMM COc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1OC ZINC000277510158 1025541739 /nfs/dbraw/zinc/54/17/39/1025541739.db2.gz YDWRVKKWSWAOBW-HNNXBMFYSA-N -1 1 349.814 3.663 20 0 EHADMM COc1ccc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000442868912 1025542269 /nfs/dbraw/zinc/54/22/69/1025542269.db2.gz OQMQIBOCUPLTJP-JTQLQIEISA-N -1 1 335.787 3.554 20 0 EHADMM COc1cc(C(=O)Nc2cnc3c(c2)CCCC3)cc(Cl)c1[O-] ZINC000443135016 1025753618 /nfs/dbraw/zinc/75/36/18/1025753618.db2.gz QGLADWSHXSFEQN-UHFFFAOYSA-N -1 1 332.787 3.580 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2oc3ccc(F)cc3c2C)c1 ZINC000436504956 1025794357 /nfs/dbraw/zinc/79/43/57/1025794357.db2.gz MNSLMAZINJMEJQ-UHFFFAOYSA-N -1 1 343.310 3.625 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2cccc(Cl)c2)c1 ZINC000436504462 1025795890 /nfs/dbraw/zinc/79/58/90/1025795890.db2.gz KQOYHMHNFFEBNY-UHFFFAOYSA-N -1 1 347.798 3.749 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2csc3cc(C)ccc23)c1 ZINC000436506447 1025798795 /nfs/dbraw/zinc/79/87/95/1025798795.db2.gz TUPRBXWNPHRDQR-UHFFFAOYSA-N -1 1 341.388 3.954 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2cc3ccccc3o2)c1 ZINC000436510806 1025804957 /nfs/dbraw/zinc/80/49/57/1025804957.db2.gz UQFUODRDUATUGN-LLVKDONJSA-N -1 1 339.347 3.667 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000436555722 1025860354 /nfs/dbraw/zinc/86/03/54/1025860354.db2.gz NLYFNCILBKRESM-SUMDDJOVSA-N -1 1 325.383 3.940 20 0 EHADMM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436545486 1025877693 /nfs/dbraw/zinc/87/76/93/1025877693.db2.gz HAOJTJGKSMLVJB-UHFFFAOYSA-N -1 1 336.750 3.786 20 0 EHADMM O=C(NCCCCNc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000436566086 1025897143 /nfs/dbraw/zinc/89/71/43/1025897143.db2.gz UWILDGSLBKWJAK-UHFFFAOYSA-N -1 1 335.407 3.563 20 0 EHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](COC)Cc1ccccc1 ZINC000436571220 1025902750 /nfs/dbraw/zinc/90/27/50/1025902750.db2.gz CDLYDMNUIZEBFC-INIZCTEOSA-N -1 1 347.842 3.765 20 0 EHADMM COCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000436595020 1025911044 /nfs/dbraw/zinc/91/10/44/1025911044.db2.gz KTFIILLTUZJBBQ-DGCLKSJQSA-N -1 1 345.361 3.688 20 0 EHADMM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc(F)ccc1[O-] ZINC000436592242 1025911510 /nfs/dbraw/zinc/91/15/10/1025911510.db2.gz ZZNZAJOVOQVTBQ-UHFFFAOYSA-N -1 1 330.340 3.613 20 0 EHADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc3ccccc3c2[O-])C12CCC2 ZINC000436596711 1025913728 /nfs/dbraw/zinc/91/37/28/1025913728.db2.gz NHDVBABZAXZVPU-ZWKOTPCHSA-N -1 1 339.435 3.965 20 0 EHADMM CCOc1cc(Br)ccc1NC(=O)c1ccccc1[O-] ZINC000436599005 1025917397 /nfs/dbraw/zinc/91/73/97/1025917397.db2.gz WDIBKTBLGNYFQC-UHFFFAOYSA-N -1 1 336.185 3.806 20 0 EHADMM C[C@@H](O)C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000436581356 1025920909 /nfs/dbraw/zinc/92/09/09/1025920909.db2.gz FLQCYXDMQAOHDL-BEFAXECRSA-N -1 1 349.430 3.830 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000436585701 1025924734 /nfs/dbraw/zinc/92/47/34/1025924734.db2.gz UATQFANUYISQHJ-UHFFFAOYSA-N -1 1 325.343 3.849 20 0 EHADMM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1ccc2ccccc2c1[O-] ZINC000436589963 1025927474 /nfs/dbraw/zinc/92/74/74/1025927474.db2.gz XGFSAKHMFHPYIQ-QZTJIDSGSA-N -1 1 335.407 3.656 20 0 EHADMM CC(C)(C)c1nnc(CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436589175 1025930535 /nfs/dbraw/zinc/93/05/35/1025930535.db2.gz OWRQPIFUCBPQMJ-UHFFFAOYSA-N -1 1 341.436 3.624 20 0 EHADMM CNC(=O)Nc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])ccc1F ZINC000436605761 1025937943 /nfs/dbraw/zinc/93/79/43/1025937943.db2.gz LOFRBWRYWPOGQB-UHFFFAOYSA-N -1 1 345.374 3.658 20 0 EHADMM O=C(Nc1cnn(-c2ccccc2)c1)c1ccc2ccccc2c1[O-] ZINC000436613635 1025946110 /nfs/dbraw/zinc/94/61/10/1025946110.db2.gz WNKFKHCWXKOBJV-UHFFFAOYSA-N -1 1 329.359 3.983 20 0 EHADMM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)C(=O)c1ccc([O-])cc1 ZINC000436688460 1026043641 /nfs/dbraw/zinc/04/36/41/1026043641.db2.gz OHQPKVIHNVPECA-QGZVFWFLSA-N -1 1 343.810 3.886 20 0 EHADMM O=C(Nc1ccc(OC2CCCC2)c(F)c1)C(=O)c1ccc([O-])cc1 ZINC000436694886 1026051724 /nfs/dbraw/zinc/05/17/24/1026051724.db2.gz BXUWMLZUCCODBG-UHFFFAOYSA-N -1 1 343.354 3.674 20 0 EHADMM Cc1csc(-c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)n1 ZINC000436712555 1026080981 /nfs/dbraw/zinc/08/09/81/1026080981.db2.gz OFOPWGRQTRQGAF-UHFFFAOYSA-N -1 1 326.377 3.782 20 0 EHADMM Cc1cc(F)cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000608350009 1026087724 /nfs/dbraw/zinc/08/77/24/1026087724.db2.gz SXKIIJVIMIVSKQ-UHFFFAOYSA-N -1 1 341.382 3.575 20 0 EHADMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436739320 1026108100 /nfs/dbraw/zinc/10/81/00/1026108100.db2.gz NSOSGNWALDOBIW-DLBZAZTESA-N -1 1 329.371 3.507 20 0 EHADMM O=C(NCc1cccc(-n2ccnc2)c1)c1ccc2ccccc2c1[O-] ZINC000436741762 1026109532 /nfs/dbraw/zinc/10/95/32/1026109532.db2.gz VWNJIVWEPLUUSM-UHFFFAOYSA-N -1 1 343.386 3.661 20 0 EHADMM C[C@@H](CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000436742513 1026112857 /nfs/dbraw/zinc/11/28/57/1026112857.db2.gz XPMDYRBLSOYVAC-KBPBESRZSA-N -1 1 347.842 3.672 20 0 EHADMM O=C(Nc1ccc(Oc2ccccc2F)nc1)c1ccc(O)cc1[O-] ZINC000436730394 1026118718 /nfs/dbraw/zinc/11/87/18/1026118718.db2.gz WNOSBLKMXUDFCD-UHFFFAOYSA-N -1 1 340.310 3.677 20 0 EHADMM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2ccccc2c1[O-] ZINC000436758320 1026127420 /nfs/dbraw/zinc/12/74/20/1026127420.db2.gz YIXRCZBKFMLQBF-UHFFFAOYSA-N -1 1 346.386 3.925 20 0 EHADMM CC(F)(F)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000451608526 1026140659 /nfs/dbraw/zinc/14/06/59/1026140659.db2.gz NFKYJJOWOUJKRQ-UHFFFAOYSA-N -1 1 332.199 3.707 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1ccc(Cl)s1 ZINC000451638219 1026194837 /nfs/dbraw/zinc/19/48/37/1026194837.db2.gz CPZNBEVJGDGAJJ-MRVPVSSYSA-N -1 1 329.821 3.505 20 0 EHADMM c1nn(C2CCC2)cc1[N-]c1nn2cc(-c3cccnc3)nc2s1 ZINC000897106647 1026368122 /nfs/dbraw/zinc/36/81/22/1026368122.db2.gz OJIXMRBLASPFAH-UHFFFAOYSA-N -1 1 337.412 3.518 20 0 EHADMM [O-]c1ccc(Cc2nc([C@H]3CCOC4(CCC4)C3)no2)cc1Cl ZINC000897117928 1026371415 /nfs/dbraw/zinc/37/14/15/1026371415.db2.gz NVJKYWKJTGUZGZ-LBPRGKRZSA-N -1 1 334.803 3.836 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2oc3ccc(Cl)cc3c2C)n1 ZINC000339174179 1026399325 /nfs/dbraw/zinc/39/93/25/1026399325.db2.gz QXSWQZDCLSDASO-UHFFFAOYSA-N -1 1 347.758 3.547 20 0 EHADMM O=C(NCc1csc(Br)c1)c1cc(Cl)ccc1[O-] ZINC000031422026 1026608027 /nfs/dbraw/zinc/60/80/27/1026608027.db2.gz JWWPXWFECWQOJL-UHFFFAOYSA-N -1 1 346.633 3.800 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)ccc1OC(C)C ZINC000614736841 1026871047 /nfs/dbraw/zinc/87/10/47/1026871047.db2.gz KMCQKRDHOBBPBI-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000179070439 1027492398 /nfs/dbraw/zinc/49/23/98/1027492398.db2.gz PGQKAXJLLQRDHO-VOTSOKGWSA-N -1 1 330.697 3.519 20 0 EHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273565434 1027496936 /nfs/dbraw/zinc/49/69/36/1027496936.db2.gz JJRKOQVLRGZVGL-YJBOKZPZSA-N -1 1 347.361 3.663 20 0 EHADMM COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)sc2C)c1C ZINC000031722616 1027909573 /nfs/dbraw/zinc/90/95/73/1027909573.db2.gz GVNMWALNENOMIS-UHFFFAOYSA-N -1 1 325.455 3.791 20 0 EHADMM Cc1cccnc1[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(C)C ZINC000631316674 1028073584 /nfs/dbraw/zinc/07/35/84/1028073584.db2.gz IQTCLDLKXBMRMB-QGZVFWFLSA-N -1 1 332.831 3.805 20 0 EHADMM O=c1cc(C(F)F)nc(SCc2cc3c(c(Cl)c2)OCO3)[n-]1 ZINC000582874369 1028100077 /nfs/dbraw/zinc/10/00/77/1028100077.db2.gz LIMGGPPIIKGMBA-UHFFFAOYSA-N -1 1 346.742 3.794 20 0 EHADMM CCOc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421164133 1028144559 /nfs/dbraw/zinc/14/45/59/1028144559.db2.gz JKWLXPVQALHNQH-ZDUSSCGKSA-N -1 1 349.880 3.542 20 0 EHADMM CN1CCN(c2ccc(Nc3cc(Cl)cc(C(=O)[O-])c3)cc2)CC1 ZINC001211965068 1028271025 /nfs/dbraw/zinc/27/10/25/1028271025.db2.gz MGLYJYGQKFHKBK-UHFFFAOYSA-N -1 1 345.830 3.534 20 0 EHADMM CCOc1cc(-c2noc([C@@H]3CCO[C@@H](C)C3)n2)cc(Cl)c1[O-] ZINC000278056959 1028713966 /nfs/dbraw/zinc/71/39/66/1028713966.db2.gz LRZFJSXXKBMHLE-VHSXEESVSA-N -1 1 338.791 3.777 20 0 EHADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3C(F)F)ccc2O1 ZINC000424069573 1028773506 /nfs/dbraw/zinc/77/35/06/1028773506.db2.gz PXNSDAPSYALPBE-SNVBAGLBSA-N -1 1 339.363 3.748 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cc(C)ccc3F)no2)c1 ZINC000445441269 1028799070 /nfs/dbraw/zinc/79/90/70/1028799070.db2.gz FPCYXAMHGOVEQR-UHFFFAOYSA-N -1 1 327.315 3.515 20 0 EHADMM COc1ccccc1C(C)(C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445455449 1028823140 /nfs/dbraw/zinc/82/31/40/1028823140.db2.gz KKNBVDVSXLYOMJ-UHFFFAOYSA-N -1 1 328.343 3.916 20 0 EHADMM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)cnn1CCC(C)C ZINC000445455197 1028823961 /nfs/dbraw/zinc/82/39/61/1028823961.db2.gz CGWPYGGVLIJHAL-UHFFFAOYSA-N -1 1 330.363 3.799 20 0 EHADMM COc1ccc(CCCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445455937 1028824216 /nfs/dbraw/zinc/82/42/16/1028824216.db2.gz MEBOSZXJFGCAHU-UHFFFAOYSA-N -1 1 328.343 3.765 20 0 EHADMM COc1ccc(O[C@@H](C)c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445458448 1028825906 /nfs/dbraw/zinc/82/59/06/1028825906.db2.gz XNGGNNLHEJKUDP-JTQLQIEISA-N -1 1 330.315 3.730 20 0 EHADMM COc1ccc(SCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445459881 1028828444 /nfs/dbraw/zinc/82/84/44/1028828444.db2.gz IYPPAAGVEIYZMQ-UHFFFAOYSA-N -1 1 332.356 3.882 20 0 EHADMM COc1cccc([C@@H]2C[C@@H]2c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445458174 1028829531 /nfs/dbraw/zinc/82/95/31/1028829531.db2.gz WECAZMZSQGXBDK-GJZGRUSLSA-N -1 1 326.327 3.861 20 0 EHADMM CC(=O)c1cccc(O[C@H](C)c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445459389 1028830162 /nfs/dbraw/zinc/83/01/62/1028830162.db2.gz AGMNACVOJOYOKL-LLVKDONJSA-N -1 1 342.326 3.924 20 0 EHADMM COc1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)c(OC)c1 ZINC000445478642 1028837548 /nfs/dbraw/zinc/83/75/48/1028837548.db2.gz FGEODKFLXCHYLU-VMPITWQZSA-N -1 1 342.326 3.769 20 0 EHADMM CSc1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)c2ccccn21 ZINC000445480701 1028841044 /nfs/dbraw/zinc/84/10/44/1028841044.db2.gz MUFCWYTZHNSUBG-UHFFFAOYSA-N -1 1 342.355 3.618 20 0 EHADMM CC(C)Oc1ccccc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476543 1028857936 /nfs/dbraw/zinc/85/79/36/1028857936.db2.gz DSWNSUGAAMQXEM-UHFFFAOYSA-N -1 1 328.343 3.959 20 0 EHADMM COc1cc(C(=O)Nc2c(C)cc(N(C)C)cc2C)cc(Cl)c1[O-] ZINC000154019713 1028977851 /nfs/dbraw/zinc/97/78/51/1028977851.db2.gz SBBLRNZDHNMHLC-UHFFFAOYSA-N -1 1 348.830 3.989 20 0 EHADMM CCC[C@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3n2CC)C1 ZINC000583149468 1029002843 /nfs/dbraw/zinc/00/28/43/1029002843.db2.gz QZYOPLMCGVHNLZ-AWEZNQCLSA-N -1 1 329.444 3.767 20 0 EHADMM C[C@@H]1CCCN(Cc2ccc(-c3cccc(F)c3F)o2)[C@H]1C(=O)[O-] ZINC000424411751 1029056574 /nfs/dbraw/zinc/05/65/74/1029056574.db2.gz BOWWLAWTMHFSBX-PIGZYNQJSA-N -1 1 335.350 3.910 20 0 EHADMM O=S(=O)([N-]c1cccc2c1CCCC2)c1ccc2ncccc2c1 ZINC000524613906 1029368174 /nfs/dbraw/zinc/36/81/74/1029368174.db2.gz MUSCWDFIKHRVRV-UHFFFAOYSA-N -1 1 338.432 3.914 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3C[C@@H]3Cc3ccccc3)nc2)[n-]c(=O)c1C ZINC000524688784 1029445862 /nfs/dbraw/zinc/44/58/62/1029445862.db2.gz QPRPLYAJGCDQII-ZWKOTPCHSA-N -1 1 346.434 3.904 20 0 EHADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000583290190 1029573828 /nfs/dbraw/zinc/57/38/28/1029573828.db2.gz LXDCAADBKLTVNI-TZMCWYRMSA-N -1 1 331.362 3.764 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1c1cccnc1 ZINC000343168708 1029599876 /nfs/dbraw/zinc/59/98/76/1029599876.db2.gz KITKRZDHZJPBAO-AWEZNQCLSA-N -1 1 347.212 3.527 20 0 EHADMM CCSCc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000525007499 1029647269 /nfs/dbraw/zinc/64/72/69/1029647269.db2.gz JAKGZTIZLQVZDU-UHFFFAOYSA-N -1 1 325.430 3.880 20 0 EHADMM O=C(Nc1ccc(OC2CCCC2)cc1)c1csc(=NC2CC2)[n-]1 ZINC000525374287 1029822824 /nfs/dbraw/zinc/82/28/24/1029822824.db2.gz ZCIMSCZEDGOHHR-UHFFFAOYSA-N -1 1 343.452 3.713 20 0 EHADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c(F)cccc1F ZINC000343229018 1029831936 /nfs/dbraw/zinc/83/19/36/1029831936.db2.gz GOXKOWXBCZYZBE-SNVBAGLBSA-N -1 1 343.333 3.803 20 0 EHADMM CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058149582 1029925938 /nfs/dbraw/zinc/92/59/38/1029925938.db2.gz JJHVUKKHYSMYDU-UHFFFAOYSA-N -1 1 332.425 3.534 20 0 EHADMM C[C@H](NC(=O)CC1CCCCC1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278318868 1030147901 /nfs/dbraw/zinc/14/79/01/1030147901.db2.gz YTRCABZHKGTTIQ-NSHDSACASA-N -1 1 347.390 3.729 20 0 EHADMM C[C@@H]1Cc2ccccc2CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000583570490 1030172628 /nfs/dbraw/zinc/17/26/28/1030172628.db2.gz UAEVUSUGWUJDHD-CYBMUJFWSA-N -1 1 345.826 3.864 20 0 EHADMM C[C@@H](c1ccccc1)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000121083327 1030178977 /nfs/dbraw/zinc/17/89/77/1030178977.db2.gz ANROAKXJEQYWCE-NSHDSACASA-N -1 1 334.213 3.988 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c(C)c1 ZINC000121264241 1030228153 /nfs/dbraw/zinc/22/81/53/1030228153.db2.gz RPOIDHWSAMYBLY-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)ccc1Br ZINC000532012243 1030273148 /nfs/dbraw/zinc/27/31/48/1030273148.db2.gz ATPXSINVVSCWRJ-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM CCCCC[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000042351117 1030286209 /nfs/dbraw/zinc/28/62/09/1030286209.db2.gz GJOUVPHORJIEKC-SECBINFHSA-N -1 1 340.308 3.758 20 0 EHADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000533952484 1030288086 /nfs/dbraw/zinc/28/80/86/1030288086.db2.gz YEYFFJTYXILROW-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000343345630 1030415240 /nfs/dbraw/zinc/41/52/40/1030415240.db2.gz DSLSTTBKEZXVGW-UHFFFAOYSA-N -1 1 337.206 3.899 20 0 EHADMM COc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000121985403 1030460735 /nfs/dbraw/zinc/46/07/35/1030460735.db2.gz WZFLSKJKSPNEID-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000447793084 1030492379 /nfs/dbraw/zinc/49/23/79/1030492379.db2.gz DAXBZINZCPLDCQ-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM CCc1nc(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)[n-]c(=O)c1C ZINC000583704390 1030494809 /nfs/dbraw/zinc/49/48/09/1030494809.db2.gz FFHHNWADTRGTNA-NSHDSACASA-N -1 1 349.431 3.620 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1C ZINC000527198660 1030722559 /nfs/dbraw/zinc/72/25/59/1030722559.db2.gz LOFUQMIUUNDZKQ-UHFFFAOYSA-N -1 1 344.436 3.686 20 0 EHADMM CO[C@H](C)c1nc(=NCCCCc2ccc(Cl)s2)s[n-]1 ZINC000583803688 1030787451 /nfs/dbraw/zinc/78/74/51/1030787451.db2.gz KPAVYEWSNNNTRA-SECBINFHSA-N -1 1 331.894 3.817 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000551171218 1031073938 /nfs/dbraw/zinc/07/39/38/1031073938.db2.gz FQQZEGDWBDQMKP-VIFPVBQESA-N -1 1 347.362 3.743 20 0 EHADMM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477103675 1031238775 /nfs/dbraw/zinc/23/87/75/1031238775.db2.gz WXJYMCXPFDUGPD-MRXNPFEDSA-N -1 1 336.395 3.612 20 0 EHADMM O=C([O-])C[C@H](NCc1cccc2c1CCOC2)c1ccccc1Cl ZINC000904034074 1031641266 /nfs/dbraw/zinc/64/12/66/1031641266.db2.gz YMSQJGATGQGQMU-SFHVURJKSA-N -1 1 345.826 3.718 20 0 EHADMM O=C([O-])C[C@H](NCc1cnc(C2CCC2)s1)c1ccccc1F ZINC000904045127 1031664632 /nfs/dbraw/zinc/66/46/32/1031664632.db2.gz HICQCVSSRPTUKA-HNNXBMFYSA-N -1 1 334.416 3.855 20 0 EHADMM COCc1c(C)cc(C)c(CN[C@@H](C)c2nc(C(=O)[O-])cs2)c1C ZINC000904024694 1031667326 /nfs/dbraw/zinc/66/73/26/1031667326.db2.gz VGFMROCXUFGPCY-ZDUSSCGKSA-N -1 1 348.468 3.764 20 0 EHADMM CCc1cc(=O)[n-]c(SCCOc2ccccc2C(F)(F)F)n1 ZINC000195063729 1031996462 /nfs/dbraw/zinc/99/64/62/1031996462.db2.gz CPXIKNCWTMSOBN-UHFFFAOYSA-N -1 1 344.358 3.522 20 0 EHADMM O=C(NC[C@@H]1OCCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000603131930 1033376389 /nfs/dbraw/zinc/37/63/89/1033376389.db2.gz RQLPESGEBCWBDJ-IBGZPJMESA-N -1 1 333.387 3.589 20 0 EHADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001142542700 1033412055 /nfs/dbraw/zinc/41/20/55/1033412055.db2.gz UCIQAXZMDNHWST-ZANVPECISA-N -1 1 346.333 3.517 20 0 EHADMM CSc1cccnc1[N-]C(=O)c1csc(N2CCCCC2)n1 ZINC000898280086 1033427763 /nfs/dbraw/zinc/42/77/63/1033427763.db2.gz UKNQKKDZLQRZHG-UHFFFAOYSA-N -1 1 334.470 3.503 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCC)cc2C)[n-]c1=O ZINC000594695460 1033512327 /nfs/dbraw/zinc/51/23/27/1033512327.db2.gz HRXQLTXEFIYIJR-UKTHLTGXSA-N -1 1 342.395 3.627 20 0 EHADMM O=S(=O)([N-]CCC1CCCC1)c1cc(Cl)sc1Cl ZINC000106051393 1033533052 /nfs/dbraw/zinc/53/30/52/1033533052.db2.gz OQXVKZXVMOIRQU-UHFFFAOYSA-N -1 1 328.286 3.914 20 0 EHADMM COc1ccc(-c2ncc(C(=O)Nc3c([O-])cccc3F)s2)cc1 ZINC000608365372 1033639836 /nfs/dbraw/zinc/63/98/36/1033639836.db2.gz DWNVCOQDDWUJBM-UHFFFAOYSA-N -1 1 344.367 3.916 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000608366751 1033640881 /nfs/dbraw/zinc/64/08/81/1033640881.db2.gz XOUCFBFFTHHRNQ-UHFFFAOYSA-N -1 1 336.269 3.866 20 0 EHADMM CC(=O)N(C)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000174107501 1033754895 /nfs/dbraw/zinc/75/48/95/1033754895.db2.gz XDLAAYIDFHDNPH-UHFFFAOYSA-N -1 1 334.375 3.780 20 0 EHADMM O=S(=O)([N-]c1ncccc1F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000537593222 1033855170 /nfs/dbraw/zinc/85/51/70/1033855170.db2.gz SVMRPOCYTOXWQU-UHFFFAOYSA-N -1 1 340.379 3.593 20 0 EHADMM CN1CCc2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc21 ZINC000445448341 1034056080 /nfs/dbraw/zinc/05/60/80/1034056080.db2.gz KVCGOZHITBHXDZ-UHFFFAOYSA-N -1 1 327.771 3.755 20 0 EHADMM COc1ccccc1-c1nc(CN2CCC(C)(C(=O)[O-])CC2)cs1 ZINC000647376467 1034078337 /nfs/dbraw/zinc/07/83/37/1034078337.db2.gz SUALPVWVDLRNOO-UHFFFAOYSA-N -1 1 346.452 3.505 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2C)n[nH]c1-c1ccccc1 ZINC000534065155 1034096596 /nfs/dbraw/zinc/09/65/96/1034096596.db2.gz XXIDCLVARUQIHK-UHFFFAOYSA-N -1 1 341.436 3.803 20 0 EHADMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000460455750 1034159534 /nfs/dbraw/zinc/15/95/34/1034159534.db2.gz PVWLOQABNWEPKX-UHFFFAOYSA-N -1 1 347.436 3.788 20 0 EHADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000534248216 1034296728 /nfs/dbraw/zinc/29/67/28/1034296728.db2.gz RXZWXZDMAQZIMO-QGZVFWFLSA-N -1 1 343.427 3.849 20 0 EHADMM COc1cc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000456305776 1034308270 /nfs/dbraw/zinc/30/82/70/1034308270.db2.gz XHENEQMCFHQBGD-SWLSCSKDSA-N -1 1 325.836 3.807 20 0 EHADMM CC[C@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000171484610 1034409715 /nfs/dbraw/zinc/40/97/15/1034409715.db2.gz JZXJMZWNHRULJG-ZDUSSCGKSA-N -1 1 332.473 3.563 20 0 EHADMM CC[C@H](C)[C@H](C)NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000171744007 1034613824 /nfs/dbraw/zinc/61/38/24/1034613824.db2.gz PPUPUCUVCABTJS-KBPBESRZSA-N -1 1 346.500 3.857 20 0 EHADMM Cc1n[nH]cc1C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000375823611 1034642542 /nfs/dbraw/zinc/64/25/42/1034642542.db2.gz JUNNRKUFFIYZAX-UHFFFAOYSA-N -1 1 335.407 3.597 20 0 EHADMM COc1ccc2c(c1)CCCN(C(=O)c1c([O-])cccc1Cl)C2 ZINC000728609562 1034661307 /nfs/dbraw/zinc/66/13/07/1034661307.db2.gz JRMHEAVLFHMBHH-UHFFFAOYSA-N -1 1 331.799 3.643 20 0 EHADMM Cc1nc2cc(F)cc(C(=O)Nc3ccc([O-])c(Cl)c3)c2nc1C ZINC000171881397 1034680454 /nfs/dbraw/zinc/68/04/54/1034680454.db2.gz VMSNRJSOCDLSSF-UHFFFAOYSA-N -1 1 345.761 3.997 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)c([O-])c1 ZINC000529938071 1034796632 /nfs/dbraw/zinc/79/66/32/1034796632.db2.gz FRUROKMSIVFQFG-UHFFFAOYSA-N -1 1 327.380 3.547 20 0 EHADMM CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)CC(F)(F)F ZINC001212184211 1034801835 /nfs/dbraw/zinc/80/18/35/1034801835.db2.gz BCWWJXHVVCLNGC-QMMMGPOBSA-N -1 1 349.827 3.967 20 0 EHADMM CSC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000601963686 1034851170 /nfs/dbraw/zinc/85/11/70/1034851170.db2.gz LHEKXXDJJAFHCN-CYBMUJFWSA-N -1 1 334.268 3.947 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c1C ZINC000450954428 1034981578 /nfs/dbraw/zinc/98/15/78/1034981578.db2.gz CDUTWQDAQJPNSF-UHFFFAOYSA-N -1 1 346.452 3.699 20 0 EHADMM CC1(C)[C@@H](c2cccc(F)c2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC000530172322 1035043740 /nfs/dbraw/zinc/04/37/40/1035043740.db2.gz GXIKHZPQRZKKCB-CYBMUJFWSA-N -1 1 334.416 3.749 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC000530179585 1035050734 /nfs/dbraw/zinc/05/07/34/1035050734.db2.gz MRNJMZQKDUARRW-QWRGUYRKSA-N -1 1 334.441 3.785 20 0 EHADMM O=S(=O)([N-]CC1CC(c2ccccc2)C1)c1cc2ccccc2o1 ZINC000548985343 1035392393 /nfs/dbraw/zinc/39/23/93/1035392393.db2.gz ZFCDOJSUVZYLTI-UHFFFAOYSA-N -1 1 341.432 3.905 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1 ZINC000185922446 1035542026 /nfs/dbraw/zinc/54/20/26/1035542026.db2.gz ASJPODXJUFRYJB-UHFFFAOYSA-N -1 1 348.443 3.659 20 0 EHADMM CC[C@H](c1nnc([N-]C(=O)c2coc(C)n2)s1)c1ccccc1 ZINC000669949931 1035792921 /nfs/dbraw/zinc/79/29/21/1035792921.db2.gz RXAXUSAZFXMZSY-LBPRGKRZSA-N -1 1 328.397 3.629 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000588174913 1035802233 /nfs/dbraw/zinc/80/22/33/1035802233.db2.gz QRYZEDDXXCGSLM-UHFFFAOYSA-N -1 1 342.247 3.961 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1O ZINC000174257695 1035861472 /nfs/dbraw/zinc/86/14/72/1035861472.db2.gz GIUGICLCWJAQFM-UHFFFAOYSA-N -1 1 331.315 3.520 20 0 EHADMM CCC1(CNC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)CC1 ZINC000178159006 1035946534 /nfs/dbraw/zinc/94/65/34/1035946534.db2.gz BLRIVGMJHOZGEH-UHFFFAOYSA-N -1 1 344.484 3.613 20 0 EHADMM O=C([O-])C[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccncc1 ZINC000572136009 1036014454 /nfs/dbraw/zinc/01/44/54/1036014454.db2.gz TUNWOWLWKFEVCK-CQSZACIVSA-N -1 1 342.292 3.545 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000174678700 1036053732 /nfs/dbraw/zinc/05/37/32/1036053732.db2.gz 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/nfs/dbraw/zinc/71/31/33/1042713133.db2.gz NAKVSHFNWKAWCA-AWEZNQCLSA-N -1 1 343.851 3.625 20 0 EHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068076280 1042788072 /nfs/dbraw/zinc/78/80/72/1042788072.db2.gz QWRANOOZRBITIO-ZDUSSCGKSA-N -1 1 347.436 3.695 20 0 EHADMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000057564404 1042942050 /nfs/dbraw/zinc/94/20/50/1042942050.db2.gz DUXULZVHCMQJCO-UHFFFAOYSA-N -1 1 339.666 3.548 20 0 EHADMM CC(=O)c1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C ZINC000647746275 1042988350 /nfs/dbraw/zinc/98/83/50/1042988350.db2.gz SEWGCUCOUTWCBW-UHFFFAOYSA-N -1 1 341.411 3.551 20 0 EHADMM CC(C)n1c(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)n[n-]c1=S ZINC000068447287 1043104988 /nfs/dbraw/zinc/10/49/88/1043104988.db2.gz DJYJSPANLZAYGG-AWEZNQCLSA-N -1 1 334.489 3.584 20 0 EHADMM CC(C)(C)n1cnc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)n1 ZINC000344041720 1043145145 /nfs/dbraw/zinc/14/51/45/1043145145.db2.gz AQLIJYDPJIOTQJ-UHFFFAOYSA-N -1 1 345.790 3.594 20 0 EHADMM CC(C)(C)n1cnc([N-]C(=O)c2ncoc2-c2ccccc2Cl)n1 ZINC000344054238 1043180570 /nfs/dbraw/zinc/18/05/70/1043180570.db2.gz WACGCFSWXDIYDR-UHFFFAOYSA-N -1 1 345.790 3.594 20 0 EHADMM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544720415 1044165283 /nfs/dbraw/zinc/16/52/83/1044165283.db2.gz PEHGWIILZQGZAQ-VIFPVBQESA-N -1 1 338.267 3.535 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC)c2)cc1 ZINC000432647086 1044583982 /nfs/dbraw/zinc/58/39/82/1044583982.db2.gz DYWGAUKWQIHXEF-UHFFFAOYSA-N -1 1 325.817 3.712 20 0 EHADMM COc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1C(F)(F)F ZINC000622606193 1126728977 /nfs/dbraw/zinc/72/89/77/1126728977.db2.gz SXDDGEDETPWGCK-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM O=C(NC1CCC(C(F)F)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000622696647 1126743887 /nfs/dbraw/zinc/74/38/87/1126743887.db2.gz USDLLGKVUYTKDS-UHFFFAOYSA-N -1 1 337.288 3.965 20 0 EHADMM CCOc1cc(C(=O)N2CC(C)(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000623034472 1126860914 /nfs/dbraw/zinc/86/09/14/1126860914.db2.gz UMLNZMCJAWFQQH-UHFFFAOYSA-N -1 1 345.826 3.858 20 0 EHADMM [O-]c1ccc(Br)c(CN2Cc3ccc(F)cc3C2)c1F ZINC001238308851 1126973404 /nfs/dbraw/zinc/97/34/04/1126973404.db2.gz KQNJLJYSLBEBIM-UHFFFAOYSA-N -1 1 340.167 3.949 20 0 EHADMM COc1cc(F)cc(C[C@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC001299247941 1127093818 /nfs/dbraw/zinc/09/38/18/1127093818.db2.gz VQUYWXSJHHKQNY-JTQLQIEISA-N -1 1 337.778 3.554 20 0 EHADMM Cc1noc([N-]C(=O)c2sc3cccc(Cl)c3c2Cl)n1 ZINC000615711862 1127766085 /nfs/dbraw/zinc/76/60/85/1127766085.db2.gz OYSFJTLGBWAHIV-UHFFFAOYSA-N -1 1 328.180 3.574 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c(C)c1 ZINC000057120247 1128037899 /nfs/dbraw/zinc/03/78/99/1128037899.db2.gz WTRQPRYOSVWIHP-UHFFFAOYSA-N -1 1 345.449 3.623 20 0 EHADMM Cc1conc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC001128032512 1128432599 /nfs/dbraw/zinc/43/25/99/1128432599.db2.gz CUXSPUYGWFQODF-UHFFFAOYSA-N -1 1 326.337 3.500 20 0 EHADMM CCOc1cc(C(=O)NNc2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000186446379 1128641884 /nfs/dbraw/zinc/64/18/84/1128641884.db2.gz ONOOZUUCIIRUAN-UHFFFAOYSA-N -1 1 341.194 3.855 20 0 EHADMM Cc1ccccc1Sc1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001648816402 1120047575 /nfs/dbraw/zinc/04/75/75/1120047575.db2.gz SPMXQRNMBCQFLR-UHFFFAOYSA-N -1 1 325.393 3.827 20 0 EHADMM COc1cccc(C(=O)CCCC(=O)Nc2cccc(F)c2[O-])c1 ZINC001648850318 1120053636 /nfs/dbraw/zinc/05/36/36/1120053636.db2.gz GNJMCYGPUQWUQY-UHFFFAOYSA-N -1 1 331.343 3.532 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1c(Cl)ccnc1Br ZINC001648850627 1120054708 /nfs/dbraw/zinc/05/47/08/1120054708.db2.gz JUEGDSWOUYPJTD-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM O=C(NCc1c(Cl)cccc1OC(F)F)c1cc(F)ccc1[O-] ZINC001648884960 1120060755 /nfs/dbraw/zinc/06/07/55/1120060755.db2.gz RTYVXZXEELUXEQ-UHFFFAOYSA-N -1 1 345.704 3.716 20 0 EHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000263006208 1120313036 /nfs/dbraw/zinc/31/30/36/1120313036.db2.gz AQPZSSLFHNVVLS-GXSJLCMTSA-N -1 1 335.753 3.901 20 0 EHADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC000218880008 1120406221 /nfs/dbraw/zinc/40/62/21/1120406221.db2.gz CRUNFLCVWJSARH-OAHLLOKOSA-N -1 1 346.224 3.914 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000187049726 1120484666 /nfs/dbraw/zinc/48/46/66/1120484666.db2.gz RHXNCTCXLGODAK-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1noc(C)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494657742 1120714322 /nfs/dbraw/zinc/71/43/22/1120714322.db2.gz BQGBEQCLKSTTMY-UHFFFAOYSA-N -1 1 347.371 3.596 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2ccn(-c3ccc(F)cc3)n2)[n-]1 ZINC000470438023 1120819633 /nfs/dbraw/zinc/81/96/33/1120819633.db2.gz ZOJHCOQUWBNFSR-UHFFFAOYSA-N -1 1 342.399 3.677 20 0 EHADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c([O-])c1 ZINC000495023842 1120932039 /nfs/dbraw/zinc/93/20/39/1120932039.db2.gz HYXZPANPVBXYRP-NSHDSACASA-N -1 1 327.409 3.539 20 0 EHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1nnc(-c2ccc(F)cc2)o1 ZINC000784516545 1120975545 /nfs/dbraw/zinc/97/55/45/1120975545.db2.gz JPQALJDJKQWTFR-VIFPVBQESA-N -1 1 346.289 3.638 20 0 EHADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)[C@@H]1C ZINC000231324006 1121027944 /nfs/dbraw/zinc/02/79/44/1121027944.db2.gz SRGDXTUBADWMSD-GIPNMCIBSA-N -1 1 326.234 3.709 20 0 EHADMM Cc1cccc(CN(C)C(=O)c2ccc(Br)c([O-])c2)c1 ZINC000231326284 1121028910 /nfs/dbraw/zinc/02/89/10/1121028910.db2.gz CQTNCTHJZSGYRJ-UHFFFAOYSA-N -1 1 334.213 3.735 20 0 EHADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)[C@@H](C)C1 ZINC000231346513 1121029610 /nfs/dbraw/zinc/02/96/10/1121029610.db2.gz DUNOTZLVLFRREA-NRUUGDAUSA-N -1 1 326.234 3.709 20 0 EHADMM CC[C@@H](C)CN(CC)C(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000176612443 1121349398 /nfs/dbraw/zinc/34/93/98/1121349398.db2.gz UBYFLDQSRXLQSO-CYBMUJFWSA-N -1 1 346.500 3.811 20 0 EHADMM CCOc1cc(C(=O)N(CC)CCc2ccccn2)cc(Cl)c1[O-] ZINC000762584957 1121369681 /nfs/dbraw/zinc/36/96/81/1121369681.db2.gz QDJVPAGJDMDKCG-UHFFFAOYSA-N -1 1 348.830 3.544 20 0 EHADMM CCOc1cc(C(=O)N2CCc3c(C)cccc3C2)cc(Cl)c1[O-] ZINC000762597308 1121374791 /nfs/dbraw/zinc/37/47/91/1121374791.db2.gz BZHODUMTXQGGAW-UHFFFAOYSA-N -1 1 345.826 3.951 20 0 EHADMM C[C@@H]1CC/C(=C/C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000762788952 1121442295 /nfs/dbraw/zinc/44/22/95/1121442295.db2.gz SQZSQLLBHGHJBK-JNINTMOKSA-N -1 1 327.424 3.560 20 0 EHADMM CC(C)c1ccc(O[C@H](C)CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000672470732 1128985520 /nfs/dbraw/zinc/98/55/20/1128985520.db2.gz ZAMHBELISOIMCT-CYBMUJFWSA-N -1 1 331.387 3.852 20 0 EHADMM CCc1nc(COC(=O)c2ccc(Br)c([O-])c2)cs1 ZINC000750550384 1121515830 /nfs/dbraw/zinc/51/58/30/1121515830.db2.gz GHJQHWCGYPXINF-UHFFFAOYSA-N -1 1 342.214 3.531 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1Cl ZINC000170033873 1121723012 /nfs/dbraw/zinc/72/30/12/1121723012.db2.gz FRKPAJUEXLRPCN-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000094068936 1122075728 /nfs/dbraw/zinc/07/57/28/1122075728.db2.gz XAXUVHWYLPVUAD-OAHLLOKOSA-N -1 1 345.826 3.902 20 0 EHADMM CCCCCc1nnc([N-]C(=O)c2cc(F)c(F)cc2F)s1 ZINC000124604510 1122289765 /nfs/dbraw/zinc/28/97/65/1122289765.db2.gz WLUQGHFCPJOXIO-UHFFFAOYSA-N -1 1 329.347 3.940 20 0 EHADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c1 ZINC000410334295 1122339248 /nfs/dbraw/zinc/33/92/48/1122339248.db2.gz DFHNANRCHBNCJU-UHFFFAOYSA-N -1 1 344.358 3.659 20 0 EHADMM COc1ccc2c(c1)nc(SCc1nn[n-]n1)cc2-c1ccccc1 ZINC000497159291 1122355265 /nfs/dbraw/zinc/35/52/65/1122355265.db2.gz FUEGTVRTAFPDDW-UHFFFAOYSA-N -1 1 349.419 3.716 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(SC)cc2)c1 ZINC000126126998 1122386636 /nfs/dbraw/zinc/38/66/36/1122386636.db2.gz RXCQPDCUCDIQIU-UHFFFAOYSA-N -1 1 335.450 3.802 20 0 EHADMM O=C(c1ncccc1[O-])N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000127317345 1122476748 /nfs/dbraw/zinc/47/67/48/1122476748.db2.gz LUVPGXMZVUNGSX-UHFFFAOYSA-N -1 1 330.815 3.536 20 0 EHADMM COc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c(C)c1 ZINC000670416284 1122694976 /nfs/dbraw/zinc/69/49/76/1122694976.db2.gz RSABGBOQRWLNMU-UHFFFAOYSA-N -1 1 325.286 3.980 20 0 EHADMM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3nc(C(C)(C)C)no3)[nH]n2)o1 ZINC000919328572 1123022700 /nfs/dbraw/zinc/02/27/00/1123022700.db2.gz GXHCYSYBBLFERR-JTQLQIEISA-N -1 1 344.371 3.577 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1 ZINC000132725832 1123292365 /nfs/dbraw/zinc/29/23/65/1123292365.db2.gz VUFOJYCJPYKMMC-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM CC[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000920125875 1123301149 /nfs/dbraw/zinc/30/11/49/1123301149.db2.gz JDGMMGBMHGCXOO-AWEZNQCLSA-N -1 1 347.436 3.751 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000132799437 1123302612 /nfs/dbraw/zinc/30/26/12/1123302612.db2.gz SDUORDHVFOEYMO-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc2ccccc2c1[O-] ZINC000132938363 1123320361 /nfs/dbraw/zinc/32/03/61/1123320361.db2.gz DOAMECNGOIITRJ-UHFFFAOYSA-N -1 1 348.358 3.754 20 0 EHADMM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000132940909 1123321061 /nfs/dbraw/zinc/32/10/61/1123321061.db2.gz ZYWDFCYPPWODAK-WMLDXEAASA-N -1 1 331.799 3.696 20 0 EHADMM O=C(NCCOc1cccc(Cl)c1)c1c([O-])cccc1Cl ZINC000920452872 1123370749 /nfs/dbraw/zinc/37/07/49/1123370749.db2.gz WSSPJIQPBIIVBK-UHFFFAOYSA-N -1 1 326.179 3.508 20 0 EHADMM CN(c1ccccc1)C1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000920454948 1123370875 /nfs/dbraw/zinc/37/08/75/1123370875.db2.gz OXZYBZVBBVXCRN-UHFFFAOYSA-N -1 1 344.842 3.787 20 0 EHADMM CN(CCc1cccs1)C(=O)c1ccc(Br)cc1[O-] ZINC000075201032 1123381390 /nfs/dbraw/zinc/38/13/90/1123381390.db2.gz QVINQIAKYIEDKI-UHFFFAOYSA-N -1 1 340.242 3.531 20 0 EHADMM CCCc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000920685552 1123404477 /nfs/dbraw/zinc/40/44/77/1123404477.db2.gz KWHJIFFBABVLSF-UHFFFAOYSA-N -1 1 338.359 3.808 20 0 EHADMM CCOc1cc(C(=O)Nc2c(C)noc2C2CC2)cc(Cl)c1[O-] ZINC000135587995 1123629584 /nfs/dbraw/zinc/62/95/84/1123629584.db2.gz KDEQFPIWVHLLEF-UHFFFAOYSA-N -1 1 336.775 3.870 20 0 EHADMM Cc1nn(CCC(=O)[O-])c(C)c1CN(Cc1ccco1)C1CCCC1 ZINC000901417740 1123728450 /nfs/dbraw/zinc/72/84/50/1123728450.db2.gz NGBOVIGHQVYULK-UHFFFAOYSA-N -1 1 345.443 3.512 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000080053873 1123736158 /nfs/dbraw/zinc/73/61/58/1123736158.db2.gz RQJCCPQSBWEVDL-UHFFFAOYSA-N -1 1 345.342 3.653 20 0 EHADMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000499650682 1129157039 /nfs/dbraw/zinc/15/70/39/1129157039.db2.gz UQCQDROVBJOOLK-WRWORJQWSA-N -1 1 326.220 3.599 20 0 EHADMM COc1ccc(C(=O)[N-]C(=O)CS[C@@H](C)c2ccc(F)cc2)cc1 ZINC000068729711 1124016035 /nfs/dbraw/zinc/01/60/35/1124016035.db2.gz PSQSDAVWUIXNSH-LBPRGKRZSA-N -1 1 347.411 3.585 20 0 EHADMM COc1cc(C(=O)Nc2cncc3c2CCCC3)cc(Cl)c1[O-] ZINC000617103377 1124093554 /nfs/dbraw/zinc/09/35/54/1124093554.db2.gz FZDFCNKQJCFSIA-UHFFFAOYSA-N -1 1 332.787 3.580 20 0 EHADMM CSc1ccc(Cl)c(NC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000617361658 1124498616 /nfs/dbraw/zinc/49/86/16/1124498616.db2.gz ZSADVQFALNYEIK-UHFFFAOYSA-N -1 1 339.873 3.767 20 0 EHADMM Cc1ccc(OCCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1C ZINC000617365684 1124499828 /nfs/dbraw/zinc/49/98/28/1124499828.db2.gz FKZFJLATJAZZGR-UHFFFAOYSA-N -1 1 341.436 3.585 20 0 EHADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)o1 ZINC000617365414 1124500278 /nfs/dbraw/zinc/50/02/78/1124500278.db2.gz NPDDZSNZGJUEPR-DGCLKSJQSA-N -1 1 341.436 3.848 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)COC2CCCCC2)c1 ZINC000182932525 1125398044 /nfs/dbraw/zinc/39/80/44/1125398044.db2.gz GECMSAWXEUGFOW-UHFFFAOYSA-N -1 1 342.233 3.751 20 0 EHADMM CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OC)C(F)(F)F ZINC001128427853 1129228805 /nfs/dbraw/zinc/22/88/05/1129228805.db2.gz VEENQUUURVOFLA-BXKDBHETSA-N -1 1 339.304 3.880 20 0 EHADMM CSCCc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000067899610 1129319564 /nfs/dbraw/zinc/31/95/64/1129319564.db2.gz SMTUPSDOLNJIIM-UHFFFAOYSA-N -1 1 325.430 3.532 20 0 EHADMM C[C@@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1nccs1 ZINC000338867846 1129604855 /nfs/dbraw/zinc/60/48/55/1129604855.db2.gz GFIULTKBLNNRHM-VIFPVBQESA-N -1 1 347.827 3.584 20 0 EHADMM CCc1ccc([C@@H](C)CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000156892422 1129742985 /nfs/dbraw/zinc/74/29/85/1129742985.db2.gz RQJKICSEXUGWRC-VIFPVBQESA-N -1 1 326.322 3.518 20 0 EHADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc(C2CC2)on1 ZINC000178566741 1131403988 /nfs/dbraw/zinc/40/39/88/1131403988.db2.gz NFYYGXWHZYTKNE-UHFFFAOYSA-N -1 1 346.799 3.976 20 0 EHADMM Cc1ccc2c(c1)[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)CC2 ZINC000673837245 1129881532 /nfs/dbraw/zinc/88/15/32/1129881532.db2.gz GSDDJRDAPNYXHP-OAHLLOKOSA-N -1 1 339.439 3.514 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)c1 ZINC000509238606 1130251851 /nfs/dbraw/zinc/25/18/51/1130251851.db2.gz XBYIOTVZGOLCTM-UHFFFAOYSA-N -1 1 339.486 3.521 20 0 EHADMM CCC[C@H](NC(=O)c1sc2cccc(C)c2c1Cl)c1nn[n-]n1 ZINC000675145191 1130266548 /nfs/dbraw/zinc/26/65/48/1130266548.db2.gz JHMNKHPJASPOCR-VIFPVBQESA-N -1 1 349.847 3.647 20 0 EHADMM O=C(OCc1nccn1C(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360845 1130703308 /nfs/dbraw/zinc/70/33/08/1130703308.db2.gz QCNVCDLAKMAXFG-UHFFFAOYSA-N -1 1 337.109 3.648 20 0 EHADMM O=C(OCc1ncc(-c2cccs2)o1)c1c([O-])cc(F)cc1F ZINC000731516638 1130808868 /nfs/dbraw/zinc/80/88/68/1130808868.db2.gz DPJZGNOEJCPGEY-UHFFFAOYSA-N -1 1 337.303 3.744 20 0 EHADMM Cc1csc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000740922085 1131558498 /nfs/dbraw/zinc/55/84/98/1131558498.db2.gz QDMRWVDKSGWDOM-UHFFFAOYSA-N -1 1 349.412 3.756 20 0 EHADMM C[C@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000742410373 1131720682 /nfs/dbraw/zinc/72/06/82/1131720682.db2.gz WLEAQIQSUZZLGC-MRVPVSSYSA-N -1 1 345.695 3.515 20 0 EHADMM Fc1cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)ccc1Cl ZINC001212689359 1131899071 /nfs/dbraw/zinc/89/90/71/1131899071.db2.gz AHWHMMBXBDDJNW-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Fc1cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)ccc1Cl ZINC001212689359 1131899078 /nfs/dbraw/zinc/89/90/78/1131899078.db2.gz AHWHMMBXBDDJNW-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Fc1c(Cl)cccc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212689714 1131901107 /nfs/dbraw/zinc/90/11/07/1131901107.db2.gz NQNVFOGTOSNILK-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Fc1c(Cl)cccc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212689714 1131901114 /nfs/dbraw/zinc/90/11/14/1131901114.db2.gz NQNVFOGTOSNILK-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3ccc(C)cc3[nH]2)c1 ZINC000744452517 1132103147 /nfs/dbraw/zinc/10/31/47/1132103147.db2.gz CXRNZAHVMHZRSK-UHFFFAOYSA-N -1 1 337.375 3.784 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccc(SC)cc1)c1ccccc1N ZINC001173813932 1132143840 /nfs/dbraw/zinc/14/38/40/1132143840.db2.gz MXMNJEIUZQHCSM-UHFFFAOYSA-N -1 1 347.465 3.770 20 0 EHADMM COc1cc(Cl)ccc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744873267 1132160337 /nfs/dbraw/zinc/16/03/37/1132160337.db2.gz QKOXPENQLMOQQI-UHFFFAOYSA-N -1 1 348.782 3.656 20 0 EHADMM CCOc1cc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])ccc1C ZINC000745025486 1132182601 /nfs/dbraw/zinc/18/26/01/1132182601.db2.gz ALHGHMUGSALQSL-UHFFFAOYSA-N -1 1 342.391 3.701 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3cc(F)ccc3o2)c1 ZINC000745056781 1132188959 /nfs/dbraw/zinc/18/89/59/1132188959.db2.gz NNSJWZLAUROSHE-UHFFFAOYSA-N -1 1 342.322 3.880 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3cccc(F)c3o2)c1 ZINC000745285088 1132223200 /nfs/dbraw/zinc/22/32/00/1132223200.db2.gz KNEDZJWXIXGZIO-UHFFFAOYSA-N -1 1 342.322 3.880 20 0 EHADMM O=C(NCc1ccco1)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174198837 1132280739 /nfs/dbraw/zinc/28/07/39/1132280739.db2.gz ACUFOSAUOMSBPV-UHFFFAOYSA-N -1 1 344.317 3.937 20 0 EHADMM CC(C)S(=O)(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174271500 1132307706 /nfs/dbraw/zinc/30/77/06/1132307706.db2.gz VYURZYBSMQTXQV-UHFFFAOYSA-N -1 1 327.352 3.596 20 0 EHADMM O=C(COC(=O)c1ccc([O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000773563734 1132895105 /nfs/dbraw/zinc/89/51/05/1132895105.db2.gz DJVLNVGOIXFOGG-UHFFFAOYSA-N -1 1 342.244 3.590 20 0 EHADMM Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc([O-])cc1F ZINC000773576628 1132932708 /nfs/dbraw/zinc/93/27/08/1132932708.db2.gz BOJLQOKIXUGYLM-UHFFFAOYSA-N -1 1 327.311 3.852 20 0 EHADMM COc1cccc(-n2nccc2Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176663930 1132978360 /nfs/dbraw/zinc/97/83/60/1132978360.db2.gz PVPXZRAFIBPCMI-UHFFFAOYSA-N -1 1 335.285 3.747 20 0 EHADMM Cc1cnn(Cc2ccncc2)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176664134 1132978699 /nfs/dbraw/zinc/97/86/99/1132978699.db2.gz UBHURAFTMWHIHV-UHFFFAOYSA-N -1 1 334.301 3.501 20 0 EHADMM COc1ccc(Br)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000767931511 1133071635 /nfs/dbraw/zinc/07/16/35/1133071635.db2.gz MRZFOQCFAFTQFT-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000768241864 1133112133 /nfs/dbraw/zinc/11/21/33/1133112133.db2.gz LENFXLPTRQCKCQ-GOSISDBHSA-N -1 1 349.377 3.502 20 0 EHADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001179422994 1133252641 /nfs/dbraw/zinc/25/26/41/1133252641.db2.gz MUXAOFXEWQSUOJ-HXUWFJFHSA-N -1 1 339.366 3.612 20 0 EHADMM COc1ccc2c(c1)OCC(C(=O)Nc1cc(F)c([O-])cc1Cl)=C2 ZINC001179656633 1133267356 /nfs/dbraw/zinc/26/73/56/1133267356.db2.gz WGSCPMGYYYBWPT-UHFFFAOYSA-N -1 1 349.745 3.608 20 0 EHADMM CC(C)(C)[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000773831788 1133287765 /nfs/dbraw/zinc/28/77/65/1133287765.db2.gz XDQPXFBQSZHSRK-HNNXBMFYSA-N -1 1 340.452 3.535 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769647659 1133326181 /nfs/dbraw/zinc/32/61/81/1133326181.db2.gz KPPWXXXBZYBFHZ-SNVBAGLBSA-N -1 1 337.753 3.954 20 0 EHADMM COc1ncc(Br)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249958552 1133342964 /nfs/dbraw/zinc/34/29/64/1133342964.db2.gz NTSBKWXCFXZONL-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM CN(C(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(C(C)(C)C)cc1 ZINC000773857249 1133367860 /nfs/dbraw/zinc/36/78/60/1133367860.db2.gz YVDSLQPKYPYVMS-UHFFFAOYSA-N -1 1 340.452 3.592 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H](O)c1cccc(F)c1 ZINC000770037781 1133380750 /nfs/dbraw/zinc/38/07/50/1133380750.db2.gz CJSBFMRLCVIXNM-SGTLLEGYSA-N -1 1 339.366 3.536 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000770037780 1133380944 /nfs/dbraw/zinc/38/09/44/1133380944.db2.gz CJSBFMRLCVIXNM-KZULUSFZSA-N -1 1 339.366 3.536 20 0 EHADMM COc1ccc2nc(C)c(C(=O)Nc3c([O-])cccc3F)cc2c1 ZINC000770862279 1133473407 /nfs/dbraw/zinc/47/34/07/1133473407.db2.gz MGBBCSCWGZIJMX-UHFFFAOYSA-N -1 1 326.327 3.649 20 0 EHADMM CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001181386446 1133482306 /nfs/dbraw/zinc/48/23/06/1133482306.db2.gz LAONIPSQWPBFLC-CYBMUJFWSA-N -1 1 345.418 3.503 20 0 EHADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cc(F)ccc1N(C)C ZINC001181680811 1133513177 /nfs/dbraw/zinc/51/31/77/1133513177.db2.gz UEDAAKHWDJAWEB-JTQLQIEISA-N -1 1 336.794 3.742 20 0 EHADMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000771384594 1133550803 /nfs/dbraw/zinc/55/08/03/1133550803.db2.gz OEHZAECVNUMUQA-QFYYESIMSA-N -1 1 337.778 3.691 20 0 EHADMM Cc1[nH]nc(NC(=O)c2cc(F)ccc2[O-])c1-c1cccc(F)c1 ZINC001181941398 1133554211 /nfs/dbraw/zinc/55/42/11/1133554211.db2.gz KFTQULBVIXGZJA-UHFFFAOYSA-N -1 1 329.306 3.621 20 0 EHADMM CC(C)[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1 ZINC001183577709 1133829791 /nfs/dbraw/zinc/82/97/91/1133829791.db2.gz HFZUQXRFNAAUID-IBGZPJMESA-N -1 1 335.407 3.956 20 0 EHADMM O=C([N-]CCCSCCOc1cccc(Cl)c1)C(F)(F)F ZINC000774680996 1133855882 /nfs/dbraw/zinc/85/58/82/1133855882.db2.gz ZMHKZNSOIXABFO-UHFFFAOYSA-N -1 1 341.782 3.521 20 0 EHADMM O=C(N[C@H]1C=CCC1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC001183942582 1133874961 /nfs/dbraw/zinc/87/49/61/1133874961.db2.gz GNQOAFOQMWZMMU-AWEZNQCLSA-N -1 1 346.386 3.769 20 0 EHADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185185547 1134045695 /nfs/dbraw/zinc/04/56/95/1134045695.db2.gz NMISNTFOYNDZLN-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC001185232415 1134055123 /nfs/dbraw/zinc/05/51/23/1134055123.db2.gz LYMDMBHDJPJLIB-SNVBAGLBSA-N -1 1 338.267 3.537 20 0 EHADMM Cc1cn2cc([N-]S(=O)(=O)c3cc4ccccc4s3)ccc2n1 ZINC001185429789 1134084010 /nfs/dbraw/zinc/08/40/10/1134084010.db2.gz TZTPUMFTAGOMFB-UHFFFAOYSA-N -1 1 343.433 3.658 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(ccn3C)c2)ccc1Cl ZINC001185524510 1134103359 /nfs/dbraw/zinc/10/33/59/1134103359.db2.gz GZTSELLUSGPMMU-UHFFFAOYSA-N -1 1 334.828 3.941 20 0 EHADMM Nc1ccc(Br)nc1Nc1c(F)ccc([O-])c1Cl ZINC001250229426 1134169368 /nfs/dbraw/zinc/16/93/68/1134169368.db2.gz HDKWLEYDLSPQIN-UHFFFAOYSA-N -1 1 332.560 3.668 20 0 EHADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)nc(C)c1Br ZINC001186202433 1134181051 /nfs/dbraw/zinc/18/10/51/1134181051.db2.gz QUCSNUNYHQYZHO-UHFFFAOYSA-N -1 1 339.164 3.558 20 0 EHADMM COc1ccc(CNC(=O)c2ccc([O-])c(F)c2)c2ccccc12 ZINC001186233326 1134183944 /nfs/dbraw/zinc/18/39/44/1134183944.db2.gz ICUSUPDWAIBWMW-UHFFFAOYSA-N -1 1 325.339 3.623 20 0 EHADMM CCCC[C@@H](CC)COCCCNC(=O)c1ccc([O-])c(F)c1 ZINC001186236247 1134184067 /nfs/dbraw/zinc/18/40/67/1134184067.db2.gz DBJQAEHQZSDZMC-CQSZACIVSA-N -1 1 325.424 3.884 20 0 EHADMM Nc1ccc2c(c1)Cc1cc(NC(=O)c3ccc([O-])cc3F)ccc1-2 ZINC001186328808 1134195665 /nfs/dbraw/zinc/19/56/65/1134195665.db2.gz KNVGOMORFREEKL-UHFFFAOYSA-N -1 1 334.350 3.937 20 0 EHADMM C[C@@H](NC(=O)Nc1cc2ccc([O-])cc2oc1=O)C1CCCCC1 ZINC001186314161 1134198971 /nfs/dbraw/zinc/19/89/71/1134198971.db2.gz HAEADIMKAJAWNH-LLVKDONJSA-N -1 1 330.384 3.589 20 0 EHADMM O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccc([O-])cc1F ZINC001186329564 1134203036 /nfs/dbraw/zinc/20/30/36/1134203036.db2.gz SBRIISRGSYLTCR-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC001186624556 1134237849 /nfs/dbraw/zinc/23/78/49/1134237849.db2.gz JUILLBAPHLIQJP-UHFFFAOYSA-N -1 1 343.395 3.782 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCc2ccccc21)c1cc2cc(F)ccc2o1 ZINC001186951390 1134276345 /nfs/dbraw/zinc/27/63/45/1134276345.db2.gz FLDUMBCGJRDCDH-ZDUSSCGKSA-N -1 1 345.395 3.580 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC001187044486 1134287264 /nfs/dbraw/zinc/28/72/64/1134287264.db2.gz QRDGKTUDWGFRTQ-UHFFFAOYSA-N -1 1 345.251 3.947 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cc2cc(F)ccc2o1 ZINC001187120592 1134300649 /nfs/dbraw/zinc/30/06/49/1134300649.db2.gz UIMVNXJNDJBHJR-UHFFFAOYSA-N -1 1 349.358 3.679 20 0 EHADMM O=C(Nc1cnc2ccc(O)cc2c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572008 1134478007 /nfs/dbraw/zinc/47/80/07/1134478007.db2.gz IJWYBWDPMWOLTQ-UHFFFAOYSA-N -1 1 348.280 3.917 20 0 EHADMM Cn1cnc2ccc(NC(=O)c3ccc([O-])c(C(F)(F)F)c3)cc21 ZINC001188587931 1134485792 /nfs/dbraw/zinc/48/57/92/1134485792.db2.gz YFWRHWYMOKOWPH-UHFFFAOYSA-N -1 1 335.285 3.550 20 0 EHADMM COc1ccc(C)cc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189064423 1134539723 /nfs/dbraw/zinc/53/97/23/1134539723.db2.gz VMYCBBFTXCKKRD-UHFFFAOYSA-N -1 1 339.844 3.641 20 0 EHADMM Cc1cnc(SC[C@H](O)c2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC001189399271 1134582538 /nfs/dbraw/zinc/58/25/38/1134582538.db2.gz JHKBGXGDBJIISS-NSHDSACASA-N -1 1 331.224 3.623 20 0 EHADMM Cc1ccsc1-c1nsc([N-]C(=O)c2ccnc(F)c2F)n1 ZINC000791714276 1134593876 /nfs/dbraw/zinc/59/38/76/1134593876.db2.gz MEZHCKNWCZLPIJ-UHFFFAOYSA-N -1 1 338.364 3.501 20 0 EHADMM C[C@H](SCC(=O)Nc1cccc(F)c1[O-])c1nc2ccccc2[nH]1 ZINC001151773075 1134599523 /nfs/dbraw/zinc/59/95/23/1134599523.db2.gz XVPSZQXWLMOOLB-JTQLQIEISA-N -1 1 345.399 3.841 20 0 EHADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc2c(s1)CCCC2 ZINC001189789434 1134627556 /nfs/dbraw/zinc/62/75/56/1134627556.db2.gz SSXPDFSVVFXUOL-UHFFFAOYSA-N -1 1 343.420 3.847 20 0 EHADMM CN(C(=O)c1cnc(-c2ccccc2)[n-]c1=O)[C@@H]1CCc2ccccc21 ZINC001190270430 1134675533 /nfs/dbraw/zinc/67/55/33/1134675533.db2.gz MKVJKSUYKCMSPY-GOSISDBHSA-N -1 1 345.402 3.609 20 0 EHADMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190347198 1134686280 /nfs/dbraw/zinc/68/62/80/1134686280.db2.gz BDTSGVSTJHFSJF-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190511335 1134708652 /nfs/dbraw/zinc/70/86/52/1134708652.db2.gz DGGQORQMRVTPOC-UHFFFAOYSA-N -1 1 329.421 3.876 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2cnn3C)cc1 ZINC001191248532 1134836841 /nfs/dbraw/zinc/83/68/41/1134836841.db2.gz FMQYASDKRZZUCE-UHFFFAOYSA-N -1 1 343.452 3.717 20 0 EHADMM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1cc([O-])cc(F)c1F ZINC001192661465 1135046509 /nfs/dbraw/zinc/04/65/09/1135046509.db2.gz YGGANNAFZOLULB-UHFFFAOYSA-N -1 1 343.333 3.725 20 0 EHADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc2c(c1)oc1ccccc12 ZINC001193265160 1135120148 /nfs/dbraw/zinc/12/01/48/1135120148.db2.gz QWBFZBINCXFIPB-CYBMUJFWSA-N -1 1 331.393 3.507 20 0 EHADMM O=C(CC1CC(c2ccccc2)C1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129639774 1135125759 /nfs/dbraw/zinc/12/57/59/1135125759.db2.gz SGEOYZUYBTZCOT-UHFFFAOYSA-N -1 1 337.423 3.583 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1)c1cc(F)cc(Br)c1 ZINC001193757682 1135183049 /nfs/dbraw/zinc/18/30/49/1135183049.db2.gz ZUPZBLUQSQQVPY-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM COc1ncccc1S(=O)(=O)[N-]c1cc(C)cc(Cl)c1Cl ZINC001194727354 1135313078 /nfs/dbraw/zinc/31/30/78/1135313078.db2.gz VUUVZVYZDAWSBZ-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1cccc(-c2ccccc2)n1 ZINC001195041805 1135357896 /nfs/dbraw/zinc/35/78/96/1135357896.db2.gz MNIOQHYXEQGSRE-UHFFFAOYSA-N -1 1 334.517 3.829 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)Nc1ccc(Cl)c(Cl)c1[O-] ZINC001195073613 1135363677 /nfs/dbraw/zinc/36/36/77/1135363677.db2.gz HXDXGAKEDUXXEG-UHFFFAOYSA-N -1 1 342.320 3.779 20 0 EHADMM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1sccc1C(F)(F)F ZINC001195215976 1135395327 /nfs/dbraw/zinc/39/53/27/1135395327.db2.gz ZRBOXOBYFLQJDP-UHFFFAOYSA-N -1 1 327.287 3.601 20 0 EHADMM O=C(Nc1ncccc1-c1ccccc1)c1cc([O-])cnc1Cl ZINC001195297545 1135409181 /nfs/dbraw/zinc/40/91/81/1135409181.db2.gz CUJMMGALDHEZNK-UHFFFAOYSA-N -1 1 325.755 3.755 20 0 EHADMM CNc1ccc(C(F)(F)F)cc1NC(=O)c1cc([O-])cnc1Cl ZINC001195308906 1135411281 /nfs/dbraw/zinc/41/12/81/1135411281.db2.gz LUMZVODGCXQCEU-UHFFFAOYSA-N -1 1 345.708 3.753 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(SC)c(Br)c1 ZINC001195492628 1135433064 /nfs/dbraw/zinc/43/30/64/1135433064.db2.gz MUIFAOZCKMWQBZ-UHFFFAOYSA-N -1 1 349.275 3.614 20 0 EHADMM Cc1nc(NC(=O)C(=O)c2ccc([O-])cc2)sc1-c1ccccc1 ZINC000806435733 1135439791 /nfs/dbraw/zinc/43/97/91/1135439791.db2.gz JSENNYCMINKNNZ-UHFFFAOYSA-N -1 1 338.388 3.646 20 0 EHADMM [O-]c1c(F)cc(NC(=S)NCc2cccc(Cl)c2)cc1F ZINC001195978890 1135496195 /nfs/dbraw/zinc/49/61/95/1135496195.db2.gz BIAPJDVAYABGBE-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM [O-]c1cc(NC(=S)NCc2cccc(Cl)c2)c(F)cc1F ZINC001195980269 1135496231 /nfs/dbraw/zinc/49/62/31/1135496231.db2.gz UTIVBDWTXVNGGF-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM Cc1ccc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)s1 ZINC000747368396 1135514083 /nfs/dbraw/zinc/51/40/83/1135514083.db2.gz 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/nfs/dbraw/zinc/85/72/21/1135857221.db2.gz QDAWDNGAEXZDDS-SECBINFHSA-N -1 1 325.742 3.685 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1F ZINC001198859275 1135862254 /nfs/dbraw/zinc/86/22/54/1135862254.db2.gz UJCIBDYVBYUKGA-UHFFFAOYSA-N -1 1 333.340 3.575 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C(C)C)c(C)c1 ZINC001198914572 1135866798 /nfs/dbraw/zinc/86/67/98/1135866798.db2.gz MQMSLJZLEWUYLA-UHFFFAOYSA-N -1 1 334.441 3.631 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccc2)c(C)c1 ZINC001198942118 1135868091 /nfs/dbraw/zinc/86/80/91/1135868091.db2.gz WSKVMDPGVUNFCW-UHFFFAOYSA-N -1 1 342.420 3.595 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cnoc1C(F)(F)F ZINC001199055763 1135876188 /nfs/dbraw/zinc/87/61/88/1135876188.db2.gz VGSAFHOMNYQQPV-UHFFFAOYSA-N -1 1 340.179 3.670 20 0 EHADMM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2c([O-])cccc2Cl)c1 ZINC000776016663 1135921528 /nfs/dbraw/zinc/92/15/28/1135921528.db2.gz QYGIAYXZWQTGLH-DZGCQCFKSA-N -1 1 331.799 3.730 20 0 EHADMM CSc1nc(NC(=O)Nc2c(Cl)cccc2Cl)cc(=O)[n-]1 ZINC001202093913 1136093830 /nfs/dbraw/zinc/09/38/30/1136093830.db2.gz IGINOQPVQCFUDG-UHFFFAOYSA-N -1 1 345.211 3.855 20 0 EHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811608699 1136112551 /nfs/dbraw/zinc/11/25/51/1136112551.db2.gz ZSHKSFIZAJFUHD-IBGZPJMESA-N -1 1 343.810 3.656 20 0 EHADMM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1F ZINC000338909114 1136145561 /nfs/dbraw/zinc/14/55/61/1136145561.db2.gz XLLOKGLPCGCZSD-WRWORJQWSA-N -1 1 349.811 3.514 20 0 EHADMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc(C)c(Cl)cc2C)[n-]1 ZINC001133688504 1136313620 /nfs/dbraw/zinc/31/36/20/1136313620.db2.gz OFVYTAJGWHWMBR-UHFFFAOYSA-N -1 1 348.786 3.526 20 0 EHADMM CCCCn1nc(C)c(CN2CCC(CCC(=O)[O-])CC2)c1Cl ZINC000854241561 1136600810 /nfs/dbraw/zinc/60/08/10/1136600810.db2.gz PEFZCTDNGLNJBK-UHFFFAOYSA-N -1 1 341.883 3.722 20 0 EHADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676948 1136605903 /nfs/dbraw/zinc/60/59/03/1136605903.db2.gz XQWURRWOEHMQTP-SSDOTTSWSA-N -1 1 325.771 3.657 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ncc(Cc2ccccc2)o1 ZINC001138014829 1136616893 /nfs/dbraw/zinc/61/68/93/1136616893.db2.gz DLGXJEXRWURWPT-UHFFFAOYSA-N -1 1 328.755 3.877 20 0 EHADMM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(C2(C)CCCC2)on1 ZINC001135198477 1136636865 /nfs/dbraw/zinc/63/68/65/1136636865.db2.gz NINFWOBHJSJPBD-UHFFFAOYSA-N -1 1 325.315 3.993 20 0 EHADMM COc1cccc([C@]2(C)CCN(C(=O)c3c([O-])cccc3Cl)C2)c1 ZINC000855838479 1136733611 /nfs/dbraw/zinc/73/36/11/1136733611.db2.gz OULIGYAMZMIDRI-LJQANCHMSA-N -1 1 345.826 3.858 20 0 EHADMM Cc1nc(SCc2cccc(SC(=O)N(C)C)c2)[n-]c(=O)c1C ZINC000776870351 1136749960 /nfs/dbraw/zinc/74/99/60/1136749960.db2.gz WNVJUOWRWHIFGU-UHFFFAOYSA-N -1 1 349.481 3.865 20 0 EHADMM C[C@H](NC(=O)c1ccc([O-])cn1)C(c1ccccc1)c1ccccc1 ZINC001135794271 1136771191 /nfs/dbraw/zinc/77/11/91/1136771191.db2.gz GRYKJSWPTKTTAO-HNNXBMFYSA-N -1 1 332.403 3.738 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc2c(s1)CCC2(C)C ZINC000817631200 1136828410 /nfs/dbraw/zinc/82/84/10/1136828410.db2.gz YRLQEYHQSDPLAD-UHFFFAOYSA-N -1 1 346.456 3.547 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2CC(C)(C)C2)c([O-])c1 ZINC000857490422 1136877005 /nfs/dbraw/zinc/87/70/05/1136877005.db2.gz GHZWCMWNPORNCB-UHFFFAOYSA-N -1 1 348.443 3.905 20 0 EHADMM O=C([N-]Cc1ccnc(C(F)(F)F)c1)C(F)(F)c1ccc(F)cc1 ZINC000857521960 1136879889 /nfs/dbraw/zinc/87/98/89/1136879889.db2.gz WHURONFYOGUUAP-UHFFFAOYSA-N -1 1 348.246 3.648 20 0 EHADMM Cc1cc(C)c(CNC(=O)c2c([O-])cnc3c(F)cccc32)c(C)c1 ZINC001136181104 1136905750 /nfs/dbraw/zinc/90/57/50/1136905750.db2.gz BJXBFNSSDSJRMR-UHFFFAOYSA-N -1 1 338.382 3.935 20 0 EHADMM O=C(NCc1cccnc1OC1CCCC1)c1cc(Cl)ccc1[O-] ZINC001136217143 1136935244 /nfs/dbraw/zinc/93/52/44/1136935244.db2.gz NGUOQPLJJDIVAB-UHFFFAOYSA-N -1 1 346.814 3.692 20 0 EHADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001136266513 1136959896 /nfs/dbraw/zinc/95/98/96/1136959896.db2.gz UBNMRUYALINQQP-FZKQIMNGSA-N -1 1 343.423 3.576 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)[C@@H]2CCCCO2)c1 ZINC000858423573 1136966578 /nfs/dbraw/zinc/96/65/78/1136966578.db2.gz LLPAPBPNCXIEBC-DOMZBBRYSA-N -1 1 344.377 3.543 20 0 EHADMM O=C(C[C@H]1CCCC1(F)F)Nc1cccc([O-])c1Br ZINC000821374439 1137023527 /nfs/dbraw/zinc/02/35/27/1137023527.db2.gz GYODNDOHQPBWPG-MRVPVSSYSA-N -1 1 334.160 3.919 20 0 EHADMM COc1ccc(Cl)cc1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001136484745 1137035707 /nfs/dbraw/zinc/03/57/07/1137035707.db2.gz KDBHAOAISIQEJQ-UHFFFAOYSA-N -1 1 340.206 3.567 20 0 EHADMM O=C(c1ccccc1)C1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144542207 1137307137 /nfs/dbraw/zinc/30/71/37/1137307137.db2.gz SSQDNYXEFTYZDP-UHFFFAOYSA-N -1 1 331.362 3.765 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(n3ncc4ccccc43)CC2)c(F)c1 ZINC001144559179 1137309811 /nfs/dbraw/zinc/30/98/11/1137309811.db2.gz KSCGOAWEAACKLC-UHFFFAOYSA-N -1 1 343.377 3.857 20 0 EHADMM CCOC(=O)CCN(Cc1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144647221 1137322312 /nfs/dbraw/zinc/32/23/12/1137322312.db2.gz DASCIRQJSNLGKG-UHFFFAOYSA-N -1 1 349.377 3.626 20 0 EHADMM [O-]c1cc(F)c(CN2Cc3ccc(Br)cc3C2)cc1F ZINC001144647011 1137322421 /nfs/dbraw/zinc/32/24/21/1137322421.db2.gz UZJZEEHHKIQKSP-UHFFFAOYSA-N -1 1 340.167 3.949 20 0 EHADMM Cc1cccc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)c1C ZINC001144657670 1137323769 /nfs/dbraw/zinc/32/37/69/1137323769.db2.gz COWWOSJHDAXMSQ-UHFFFAOYSA-N -1 1 332.394 3.609 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@](C)(O)c1ccccc1 ZINC001144682939 1137329100 /nfs/dbraw/zinc/32/91/00/1137329100.db2.gz LCTMLQIBJIYHDB-LHSJRXKWSA-N -1 1 335.403 3.571 20 0 EHADMM O=C([O-])[C@@H](c1ccc(Br)cc1F)N1CCCCCCC1 ZINC000846229227 1137342505 /nfs/dbraw/zinc/34/25/05/1137342505.db2.gz ZFIAEGKWRHCSNF-CQSZACIVSA-N -1 1 344.224 3.980 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1csc(-c2ccccc2)n1 ZINC001144887616 1137360253 /nfs/dbraw/zinc/36/02/53/1137360253.db2.gz IKGSLXRPQNNBGH-UHFFFAOYSA-N -1 1 326.377 3.777 20 0 EHADMM CC[C@H](OCCNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC001144957118 1137372802 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Cc1cc(C[C@@H](C)NC(=O)c2cccc(-c3ccccc3)c2[O-])on1 ZINC001148861760 1137436349 /nfs/dbraw/zinc/43/63/49/1137436349.db2.gz XBLYISLPTGSAGQ-CYBMUJFWSA-N -1 1 336.391 3.717 20 0 EHADMM CC(C)(C)c1nnc(NC(=O)c2cccc(-c3ccccc3)c2[O-])o1 ZINC001148861000 1137436514 /nfs/dbraw/zinc/43/65/14/1137436514.db2.gz GGCOYTFNCPRSGX-UHFFFAOYSA-N -1 1 337.379 3.992 20 0 EHADMM C[C@@]1(F)CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])C[C@@H]1F ZINC001148866662 1137436637 /nfs/dbraw/zinc/43/66/37/1137436637.db2.gz DEWGYVUMXZMCMW-QFBILLFUSA-N -1 1 331.362 3.971 20 0 EHADMM CC(C)(C)OC1CCC(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000870490880 1137495198 /nfs/dbraw/zinc/49/51/98/1137495198.db2.gz FNFRPNITVYSJRV-UHFFFAOYSA-N -1 1 325.836 3.902 20 0 EHADMM COc1ccc(CCC(=O)[N-]O[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000871797859 1137558582 /nfs/dbraw/zinc/55/85/82/1137558582.db2.gz GMIFLTIYHJQUHM-ZDUSSCGKSA-N -1 1 346.427 3.722 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(CCSC1CCCCC1)CC2 ZINC000872167945 1137574894 /nfs/dbraw/zinc/57/48/94/1137574894.db2.gz PEMUWUQQEFTJFW-UHFFFAOYSA-N -1 1 349.496 3.817 20 0 EHADMM COc1cc(Cl)c(F)c(C(=O)[N-]c2nc(C(C)C)ns2)c1 ZINC000874691374 1137621256 /nfs/dbraw/zinc/62/12/56/1137621256.db2.gz CRGLNZKPSVUNTF-UHFFFAOYSA-N -1 1 329.784 3.715 20 0 EHADMM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2F)C12CCCCC2 ZINC001137083254 1137625905 /nfs/dbraw/zinc/62/59/05/1137625905.db2.gz GJLDXZIWNBENAP-HOTGVXAUSA-N -1 1 335.419 3.731 20 0 EHADMM CCC[C@@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc(Cl)c1 ZINC000875633144 1137636262 /nfs/dbraw/zinc/63/62/62/1137636262.db2.gz LBKAXRJXOWZCMD-CQSZACIVSA-N -1 1 342.830 3.518 20 0 EHADMM CN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CCC(F)(F)CC1 ZINC000876396681 1137650828 /nfs/dbraw/zinc/65/08/28/1137650828.db2.gz MIZYAROGVYTJBW-UHFFFAOYSA-N -1 1 332.778 3.765 20 0 EHADMM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395902 1137650857 /nfs/dbraw/zinc/65/08/57/1137650857.db2.gz RRRUOROJVFOTSJ-LBPRGKRZSA-N -1 1 348.830 3.524 20 0 EHADMM CCCO[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000108236299 1137889081 /nfs/dbraw/zinc/88/90/81/1137889081.db2.gz JSMVLOHXUDQKRD-QGZVFWFLSA-N -1 1 327.424 3.967 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1F)[N-]c1cc(Cl)c(Cl)cn1 ZINC000800039086 1137895255 /nfs/dbraw/zinc/89/52/55/1137895255.db2.gz NUATXNDHMBJWLD-WAYWQWQTSA-N -1 1 347.198 3.940 20 0 EHADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000121384076 1137957335 /nfs/dbraw/zinc/95/73/35/1137957335.db2.gz VVZSFZBIIWARCO-AAEUAGOBSA-N -1 1 343.427 3.502 20 0 EHADMM O=C(Cc1csc(C2CC2)n1)Nc1cc(F)c([O-])cc1Cl ZINC000885680799 1138018342 /nfs/dbraw/zinc/01/83/42/1138018342.db2.gz ZJMNEVAERRRYET-UHFFFAOYSA-N -1 1 326.780 3.700 20 0 EHADMM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccnc(Cl)c1F ZINC000136914292 1138043981 /nfs/dbraw/zinc/04/39/81/1138043981.db2.gz DQCFTXXLUNOICX-UHFFFAOYSA-N -1 1 334.763 3.645 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)cc1 ZINC000055592184 1138055583 /nfs/dbraw/zinc/05/55/83/1138055583.db2.gz VFRRDYFYJIOZJM-UHFFFAOYSA-N -1 1 346.452 3.699 20 0 EHADMM COc1ccccc1[C@H](C)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886264769 1138062594 /nfs/dbraw/zinc/06/25/94/1138062594.db2.gz KZGMMVGZQYJRQM-GFCCVEGCSA-N -1 1 349.377 3.532 20 0 EHADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(C)cc(Cl)cc1C ZINC000886399380 1138073295 /nfs/dbraw/zinc/07/32/95/1138073295.db2.gz SQKPJODAJWJHRN-UHFFFAOYSA-N -1 1 349.790 3.727 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCCCCC(C)C ZINC000081544824 1138169710 /nfs/dbraw/zinc/16/97/10/1138169710.db2.gz WYNJUHQGIZXDOK-UHFFFAOYSA-N -1 1 325.478 3.549 20 0 EHADMM CC(C)n1c(CNC(=O)c2c(Cl)cccc2Cl)n[n-]c1=S ZINC000081712258 1138171169 /nfs/dbraw/zinc/17/11/69/1138171169.db2.gz MOOGVFNLTQUYCZ-UHFFFAOYSA-N -1 1 345.255 3.758 20 0 EHADMM Cc1ccc(Cl)cc1NC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000085548514 1138184664 /nfs/dbraw/zinc/18/46/64/1138184664.db2.gz YAWAWGBWMDPJRD-UHFFFAOYSA-N -1 1 339.852 3.805 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000092428002 1138228216 /nfs/dbraw/zinc/22/82/16/1138228216.db2.gz HPSPACAHLGJAJC-AEFFLSMTSA-N -1 1 337.419 3.909 20 0 EHADMM CCCOc1cc(C)ccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121897043 1138251979 /nfs/dbraw/zinc/25/19/79/1138251979.db2.gz INTQOXXYGSCCJG-UHFFFAOYSA-N -1 1 342.395 3.700 20 0 EHADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000826558699 1138255595 /nfs/dbraw/zinc/25/55/95/1138255595.db2.gz YQQKWZFBGJOJBA-LQDVMPOASA-N -1 1 339.391 3.868 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1 ZINC000337757588 1138660653 /nfs/dbraw/zinc/66/06/53/1138660653.db2.gz MUAQYRASPDOLBA-UHFFFAOYSA-N -1 1 345.449 3.599 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000887788891 1138899407 /nfs/dbraw/zinc/89/94/07/1138899407.db2.gz YHBSWPJUFIBOTG-HXUWFJFHSA-N -1 1 339.366 3.612 20 0 EHADMM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1cccnc1 ZINC000150998302 1138999367 /nfs/dbraw/zinc/99/93/67/1138999367.db2.gz FRPBSZXVMZKELO-HNNXBMFYSA-N -1 1 345.468 3.570 20 0 EHADMM CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc(Cl)ccc1[O-] ZINC000174991700 1139455784 /nfs/dbraw/zinc/45/57/84/1139455784.db2.gz CJIUEJHHKXYWME-UHFFFAOYSA-N -1 1 336.844 3.653 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)cc(Cl)c1[O-] ZINC000183457034 1140039944 /nfs/dbraw/zinc/03/99/44/1140039944.db2.gz ULUCQNWIJMYLAT-ZDUSSCGKSA-N -1 1 341.835 3.520 20 0 EHADMM Cc1nc(C(=O)[N-]c2nnc(CC(C)C)s2)c(-c2ccccc2)o1 ZINC000183709695 1140054229 /nfs/dbraw/zinc/05/42/29/1140054229.db2.gz GWJQOIVJMQDDIA-UHFFFAOYSA-N -1 1 342.424 3.952 20 0 EHADMM COc1cccc(C2CCN(C(=O)c3ccc([O-])cc3F)CC2)c1 ZINC000185357810 1140146446 /nfs/dbraw/zinc/14/64/46/1140146446.db2.gz BVDNWHUZMFNGMH-UHFFFAOYSA-N -1 1 329.371 3.560 20 0 EHADMM Cc1coc2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc12 ZINC000185793148 1140170169 /nfs/dbraw/zinc/17/01/69/1140170169.db2.gz YCRNYDWUMSWBNK-UHFFFAOYSA-N -1 1 339.395 3.683 20 0 EHADMM Cc1cccc(Cl)c1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195085558 1140630159 /nfs/dbraw/zinc/63/01/59/1140630159.db2.gz CXEHUNCOTXBUSI-UHFFFAOYSA-N -1 1 349.843 3.752 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000274282894 1141493353 /nfs/dbraw/zinc/49/33/53/1141493353.db2.gz KJJGYIQVGXJMQE-LBPRGKRZSA-N -1 1 349.500 3.645 20 0 EHADMM O=[S@](C=C([O-])c1ccc[nH]1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000339152323 1141511685 /nfs/dbraw/zinc/51/16/85/1141511685.db2.gz GZUUOKUWGDKGHA-NTKDMRAZSA-N -1 1 341.407 3.875 20 0 EHADMM O=C(Nc1ccc(OCC(F)F)cc1)c1c(F)ccc([O-])c1F ZINC000348847600 1141595355 /nfs/dbraw/zinc/59/53/55/1141595355.db2.gz KFPJEBUIBRGFBM-UHFFFAOYSA-N -1 1 329.249 3.567 20 0 EHADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000005120828 210393395 /nfs/dbraw/zinc/39/33/95/210393395.db2.gz MQOXRHJMQGRISW-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N(C)CCC(=O)[O-] ZINC000818075885 597068488 /nfs/dbraw/zinc/06/84/88/597068488.db2.gz UGWPOYCOUQDLQD-QMMMGPOBSA-N -1 1 344.198 3.511 20 0 EHADMM c1cc(-c2nn[n-]n2)sc1CNc1cccc(N2CCCCC2)c1 ZINC000823757344 607310237 /nfs/dbraw/zinc/31/02/37/607310237.db2.gz PJJPYHHQISKSCF-UHFFFAOYSA-N -1 1 340.456 3.531 20 0 EHADMM CCSCc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821460949 607318530 /nfs/dbraw/zinc/31/85/30/607318530.db2.gz HIIZFLZNVMQZEW-UHFFFAOYSA-N -1 1 331.470 3.793 20 0 EHADMM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1cccc(-c2nnn[n-]2)n1 ZINC000736055750 599423876 /nfs/dbraw/zinc/42/38/76/599423876.db2.gz IVDNEZKMXPHZEP-SECBINFHSA-N -1 1 349.225 3.612 20 0 EHADMM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1cccc(-c2nn[n-]n2)n1 ZINC000736055750 599423877 /nfs/dbraw/zinc/42/38/77/599423877.db2.gz IVDNEZKMXPHZEP-SECBINFHSA-N -1 1 349.225 3.612 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1F)c1ccc(Br)cc1 ZINC000426807583 599791175 /nfs/dbraw/zinc/79/11/75/599791175.db2.gz OPNFWSHFFWEEBN-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM Cc1cc(CN2CCC(OC3CCC(C)CC3)CC2)oc1C(=O)[O-] ZINC000519553347 599866551 /nfs/dbraw/zinc/86/65/51/599866551.db2.gz VLEGHYVANOEBFM-UHFFFAOYSA-N -1 1 335.444 3.846 20 0 EHADMM Cc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1 ZINC000389916933 600051039 /nfs/dbraw/zinc/05/10/39/600051039.db2.gz DFPMECRIGNLJKG-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM CC(C)c1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)c(C(=O)[O-])c1 ZINC000736514833 600073665 /nfs/dbraw/zinc/07/36/65/600073665.db2.gz CORQLHJKMPVOIQ-UHFFFAOYSA-N -1 1 341.342 3.776 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@@H](C)c2cc(C)cc(C)c2)c(C)c1C(=O)[O-] ZINC000738363115 600139650 /nfs/dbraw/zinc/13/96/50/600139650.db2.gz CEFZZCVNSZFSAN-ZFWWWQNUSA-N -1 1 342.439 3.869 20 0 EHADMM Cc1ccc([C@H]2CSCC[N@H+]2Cc2cccc(C(=O)[O-])c2)cc1 ZINC000738584354 600218730 /nfs/dbraw/zinc/21/87/30/600218730.db2.gz YFTPDCZKJDTRJU-GOSISDBHSA-N -1 1 327.449 3.983 20 0 EHADMM Cc1ccc([C@H]2CSCCN2Cc2cccc(C(=O)[O-])c2)cc1 ZINC000738584354 600218731 /nfs/dbraw/zinc/21/87/31/600218731.db2.gz YFTPDCZKJDTRJU-GOSISDBHSA-N -1 1 327.449 3.983 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000578076616 600262002 /nfs/dbraw/zinc/26/20/02/600262002.db2.gz RVFGKDZGFPDYOQ-UHFFFAOYSA-N -1 1 329.396 3.638 20 0 EHADMM CC(C)N(CCC(=O)[O-])Cc1ccc(Cl)cc1Br ZINC000126804984 600331104 /nfs/dbraw/zinc/33/11/04/600331104.db2.gz GEIDANWHJMKZFI-UHFFFAOYSA-N -1 1 334.641 3.788 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2cc(Cl)ccc2O)cc1Cl ZINC000048807048 600478387 /nfs/dbraw/zinc/47/83/87/600478387.db2.gz DJQYRGMXOXCPMU-UHFFFAOYSA-N -1 1 326.135 3.650 20 0 EHADMM CC[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829043919 600848473 /nfs/dbraw/zinc/84/84/73/600848473.db2.gz IKHSIYWRWQIEPC-LIRRHRJNSA-N -1 1 332.444 3.532 20 0 EHADMM O=C([O-])Nc1cc(NC(=O)c2cn[nH]c2-c2ccccc2)ccc1F ZINC000833282073 600874834 /nfs/dbraw/zinc/87/48/34/600874834.db2.gz BPWIXCBNNSYFFL-UHFFFAOYSA-N -1 1 340.314 3.558 20 0 EHADMM O=C([O-])c1ccc(OCCN2CCC[C@@H]2c2ccccn2)c(Cl)c1 ZINC000833321483 601319677 /nfs/dbraw/zinc/31/96/77/601319677.db2.gz UWHJVVIDMNMOHT-MRXNPFEDSA-N -1 1 346.814 3.649 20 0 EHADMM O=C([O-])c1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1F ZINC000833315445 601616559 /nfs/dbraw/zinc/61/65/59/601616559.db2.gz VKDFBAFCLCMPMU-UHFFFAOYSA-N -1 1 327.355 3.519 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN1CCC(CCC(=O)[O-])CC1 ZINC000321027422 601840745 /nfs/dbraw/zinc/84/07/45/601840745.db2.gz PNNBTKNZCGDFEA-UHFFFAOYSA-N -1 1 334.441 3.788 20 0 EHADMM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000739029598 603066161 /nfs/dbraw/zinc/06/61/61/603066161.db2.gz VTDXWNNPDJEJFS-KGLIPLIRSA-N -1 1 343.427 3.771 20 0 EHADMM CN(C)c1cccc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000830643387 604770430 /nfs/dbraw/zinc/77/04/30/604770430.db2.gz GCBXPYSNTNROCU-MOPGFXCFSA-N -1 1 342.414 3.855 20 0 EHADMM Cc1ccc2nc(CN(CCCC(=O)[O-])Cc3ccccc3)cn2c1 ZINC000584535288 604800183 /nfs/dbraw/zinc/80/01/83/604800183.db2.gz AJGHNLGJGYWECU-UHFFFAOYSA-N -1 1 337.423 3.510 20 0 EHADMM CC(C)c1ccsc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833511248 604868645 /nfs/dbraw/zinc/86/86/45/604868645.db2.gz HRORXJKMJRBKCI-UHFFFAOYSA-N -1 1 329.381 3.698 20 0 EHADMM COc1ccc([C@@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccccc2)cc1 ZINC000832244185 604973345 /nfs/dbraw/zinc/97/33/45/604973345.db2.gz AEGRQMWRONYESQ-VQTJNVASSA-N -1 1 348.402 3.595 20 0 EHADMM c1cc2cccc(Nc3c4ccccc4nnc3-c3nnn[n-]3)c2s1 ZINC000826516847 607737811 /nfs/dbraw/zinc/73/78/11/607737811.db2.gz DVEVJJKASNSHHS-UHFFFAOYSA-N -1 1 345.391 3.768 20 0 EHADMM c1cc2cccc(Nc3c4ccccc4nnc3-c3nn[n-]n3)c2s1 ZINC000826516847 607737812 /nfs/dbraw/zinc/73/78/12/607737812.db2.gz DVEVJJKASNSHHS-UHFFFAOYSA-N -1 1 345.391 3.768 20 0 EHADMM CC(C)Oc1cc(CN(Cc2ccc(C(=O)[O-])cc2)C2CC2)ccn1 ZINC000833505978 605178957 /nfs/dbraw/zinc/17/89/57/605178957.db2.gz ZEDJERDJDKDTOQ-UHFFFAOYSA-N -1 1 340.423 3.732 20 0 EHADMM CN(Cc1cc(F)c(F)c(F)c1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833693951 605245252 /nfs/dbraw/zinc/24/52/52/605245252.db2.gz BYMPDWGKSBJVFA-OAHLLOKOSA-N -1 1 327.277 3.501 20 0 EHADMM CC(C)CCN1Cc2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2C1 ZINC000076393134 605259322 /nfs/dbraw/zinc/25/93/22/605259322.db2.gz OFDJVDUPSBEMGV-UHFFFAOYSA-N -1 1 346.471 3.878 20 0 EHADMM O=C([O-])Nc1cccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000834263549 605542735 /nfs/dbraw/zinc/54/27/35/605542735.db2.gz BOQZCPXTQQCHPT-UHFFFAOYSA-N -1 1 346.293 3.843 20 0 EHADMM O=C([O-])Nc1cccc(CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000834269964 605576416 /nfs/dbraw/zinc/57/64/16/605576416.db2.gz ZFPCQTNYAWLQPX-UHFFFAOYSA-N -1 1 326.381 3.854 20 0 EHADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000833812568 605596762 /nfs/dbraw/zinc/59/67/62/605596762.db2.gz KEMHSLIKTVLFOR-JSGCOSHPSA-N -1 1 337.489 3.669 20 0 EHADMM O=C([O-])N(CC1CC1)C1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000834062389 605612767 /nfs/dbraw/zinc/61/27/67/605612767.db2.gz IGHIERSCTYGWOB-UHFFFAOYSA-N -1 1 339.439 3.589 20 0 EHADMM O=C([O-])N[C@H]1C[C@@H](NCc2ccccc2OC(F)F)c2ccccc21 ZINC000834158160 605789398 /nfs/dbraw/zinc/78/93/98/605789398.db2.gz NEONANVAPHQVAE-CABCVRRESA-N -1 1 348.349 3.831 20 0 EHADMM O=C([O-])N[C@@H]1C[C@H](NC2(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000834156643 605806826 /nfs/dbraw/zinc/80/68/26/605806826.db2.gz CCSRJFFUDMOARM-SJORKVTESA-N -1 1 326.371 3.858 20 0 EHADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1cnc(-c2cccs2)s1 ZINC000834094868 606061872 /nfs/dbraw/zinc/06/18/72/606061872.db2.gz HHFQDTXXTDIOPH-NEPJUHHUSA-N -1 1 349.481 3.588 20 0 EHADMM CC(C)OCc1cccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000820146699 606460143 /nfs/dbraw/zinc/46/01/43/606460143.db2.gz RRSLWJDVXLOUIQ-UHFFFAOYSA-N -1 1 344.806 3.584 20 0 EHADMM CC(C)OCc1cccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000820146699 606460144 /nfs/dbraw/zinc/46/01/44/606460144.db2.gz RRSLWJDVXLOUIQ-UHFFFAOYSA-N -1 1 344.806 3.584 20 0 EHADMM Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822288504 606487360 /nfs/dbraw/zinc/48/73/60/606487360.db2.gz AABMUZSJMJOMOK-UHFFFAOYSA-N -1 1 327.413 3.612 20 0 EHADMM Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822288504 606487361 /nfs/dbraw/zinc/48/73/61/606487361.db2.gz AABMUZSJMJOMOK-UHFFFAOYSA-N -1 1 327.413 3.612 20 0 EHADMM O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823298980 606488026 /nfs/dbraw/zinc/48/80/26/606488026.db2.gz BCGQARQAKDMCFR-UHFFFAOYSA-N -1 1 347.403 3.848 20 0 EHADMM O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823298980 606488027 /nfs/dbraw/zinc/48/80/27/606488027.db2.gz BCGQARQAKDMCFR-UHFFFAOYSA-N -1 1 347.403 3.848 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@@H]2CC23CCCC3)c(-c2nnn[n-]2)s1 ZINC000824129611 608346229 /nfs/dbraw/zinc/34/62/29/608346229.db2.gz AMQLRSXMZFNHLY-JTQLQIEISA-N -1 1 345.472 3.745 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@@H]2CC23CCCC3)c(-c2nn[n-]n2)s1 ZINC000824129611 608346230 /nfs/dbraw/zinc/34/62/30/608346230.db2.gz AMQLRSXMZFNHLY-JTQLQIEISA-N -1 1 345.472 3.745 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000323627585 971023381 /nfs/dbraw/zinc/02/33/81/971023381.db2.gz VJECMIIJPPLLTP-DGCLKSJQSA-N -1 1 334.803 3.680 20 0 EHADMM O=C([O-])c1ccc(CNCc2sccc2Br)s1 ZINC000236471950 949916738 /nfs/dbraw/zinc/91/67/38/949916738.db2.gz ROZUBUDLDUIVFS-UHFFFAOYSA-N -1 1 332.244 3.560 20 0 EHADMM CCCOc1ccc2c(c1)CCN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC001589683927 950055967 /nfs/dbraw/zinc/05/59/67/950055967.db2.gz IGVPAJJVTFUSAD-UHFFFAOYSA-N -1 1 325.408 3.732 20 0 EHADMM C[C@H]1CCN(Cc2cc(Cl)ccc2Br)C[C@@H]1C(=O)[O-] ZINC000516867029 953542995 /nfs/dbraw/zinc/54/29/95/953542995.db2.gz FQMSUXRASPGCNP-CABZTGNLSA-N -1 1 346.652 3.645 20 0 EHADMM Cn1nc(C(=O)[O-])cc1CN1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000635302865 953876227 /nfs/dbraw/zinc/87/62/27/953876227.db2.gz DUYJCLVEZKKAID-WFTPILKQSA-N -1 1 339.439 3.576 20 0 EHADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000226465132 959878924 /nfs/dbraw/zinc/87/89/24/959878924.db2.gz NUNWGZRHFGOUEU-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)c(OC(F)F)cc1C ZINC000262720832 961824635 /nfs/dbraw/zinc/82/46/35/961824635.db2.gz VGXBRRKHRSVURS-UHFFFAOYSA-N -1 1 335.350 3.893 20 0 EHADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC000263420278 962592212 /nfs/dbraw/zinc/59/22/12/962592212.db2.gz KYKFOJWRSBKXNG-KRWDZBQOSA-N -1 1 349.390 3.547 20 0 EHADMM O=C([O-])C[C@H]1CCCN1Cc1ccc(Br)c(Cl)c1 ZINC000300520772 963014354 /nfs/dbraw/zinc/01/43/54/963014354.db2.gz ZPHOCRVOPLWGSZ-SNVBAGLBSA-N -1 1 332.625 3.542 20 0 EHADMM COc1cc(Cl)c(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263308485 967869214 /nfs/dbraw/zinc/86/92/14/967869214.db2.gz HQQADHQFVNOMIJ-ZJUUUORDSA-N -1 1 332.227 3.687 20 0 EHADMM C[C@@H](C(=O)[O-])N(Cc1ccc(Cl)cc1Br)C1CC1 ZINC000263368897 967880279 /nfs/dbraw/zinc/88/02/79/967880279.db2.gz XFMBZXSWSDFXKQ-QMMMGPOBSA-N -1 1 332.625 3.540 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Br)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000583499281 968481161 /nfs/dbraw/zinc/48/11/61/968481161.db2.gz ADSLRWFGHAFFCE-SKDRFNHKSA-N -1 1 346.652 3.645 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000518783032 974325140 /nfs/dbraw/zinc/32/51/40/974325140.db2.gz WOTHCHQRQOBTDP-AFBRZQFHSA-N -1 1 347.455 3.710 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)cc1OC ZINC000565101777 974567999 /nfs/dbraw/zinc/56/79/99/974567999.db2.gz WXZHSPRXOZRKPQ-HNNXBMFYSA-N -1 1 345.395 3.641 20 0 EHADMM O=C([O-])c1cc(CN2CCC(C(=O)c3ccccc3)CC2)cs1 ZINC000568281256 974663768 /nfs/dbraw/zinc/66/37/68/974663768.db2.gz DQDPYKCEEDVDDQ-UHFFFAOYSA-N -1 1 329.421 3.541 20 0 EHADMM O=C([O-])c1cc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cs1 ZINC000580085639 974889068 /nfs/dbraw/zinc/88/90/68/974889068.db2.gz WQXHCNOUOLBBFN-CQSZACIVSA-N -1 1 347.411 3.680 20 0 EHADMM C[C@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1C ZINC000583269095 974938565 /nfs/dbraw/zinc/93/85/65/974938565.db2.gz XFRGKDNATBSFAC-QWHCGFSZSA-N -1 1 330.453 3.986 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2csc(C3CCCC3)n2)[C@H]2CCC[C@H]21 ZINC000629373690 975088484 /nfs/dbraw/zinc/08/84/84/975088484.db2.gz KXEVSYLDPSHKER-XHSDSOJGSA-N -1 1 334.485 3.876 20 0 EHADMM O=C([O-])c1sccc1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652435208 975531986 /nfs/dbraw/zinc/53/19/86/975531986.db2.gz UJJNEYULHBUJDG-LBPRGKRZSA-N -1 1 337.828 3.753 20 0 EHADMM O=C([O-])CN(Cc1cc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000652482781 975552985 /nfs/dbraw/zinc/55/29/85/975552985.db2.gz VAEWIMVRVGRPJY-UHFFFAOYSA-N -1 1 332.375 3.700 20 0 EHADMM CC(C)Oc1cccc(CN[C@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001591796387 976007989 /nfs/dbraw/zinc/00/79/89/976007989.db2.gz HUUQUQIDRMMZSE-OAHLLOKOSA-N -1 1 343.423 3.788 20 0 EHADMM COc1cc(Cl)c(CNCc2cccc(C(=O)[O-])c2)cc1Cl ZINC000683176949 976081400 /nfs/dbraw/zinc/08/14/00/976081400.db2.gz YXOJYXPZJUIYLT-UHFFFAOYSA-N -1 1 340.206 3.990 20 0 EHADMM CC(C)c1[nH]c(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1C(=O)[O-] ZINC001591912327 976342432 /nfs/dbraw/zinc/34/24/32/976342432.db2.gz KGRWMAHGACJZCC-QWRGUYRKSA-N -1 1 332.366 3.999 20 0 EHADMM CC(C)c1[nH]c(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1C(=O)[O-] ZINC001591912325 976342832 /nfs/dbraw/zinc/34/28/32/976342832.db2.gz KGRWMAHGACJZCC-GHMZBOCLSA-N -1 1 332.366 3.999 20 0 EHADMM CC1(C)Cc2cc(CN[C@@H](C(=O)[O-])c3cc(F)ccc3F)ccc2O1 ZINC000756358769 978699064 /nfs/dbraw/zinc/69/90/64/978699064.db2.gz CRZZTNKPJQQWAV-QGZVFWFLSA-N -1 1 347.361 3.594 20 0 EHADMM CCc1ncc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000901549713 980375074 /nfs/dbraw/zinc/37/50/74/980375074.db2.gz KYFALLYACHHKHL-CYBMUJFWSA-N -1 1 344.358 3.640 20 0 EHADMM CC[C@@H](NCc1cccnc1OC(C)C)c1ccc(C(=O)[O-])cc1 ZINC001595305164 980442612 /nfs/dbraw/zinc/44/26/12/980442612.db2.gz MBUICAHATLUFPR-QGZVFWFLSA-N -1 1 328.412 3.808 20 0 EHADMM Cc1cc(CN2CCC[C@@](C)(C(=O)[O-])C2)c(Br)cc1F ZINC000901697440 980453749 /nfs/dbraw/zinc/45/37/49/980453749.db2.gz FATMBQZUOIYMKH-OAHLLOKOSA-N -1 1 344.224 3.583 20 0 EHADMM COc1ccccc1[C@H](CNCc1cc(C(=O)[O-])c(C)o1)OC(C)C ZINC000902367460 980856566 /nfs/dbraw/zinc/85/65/66/980856566.db2.gz IUKQRLYHPOSSRG-SFHVURJKSA-N -1 1 347.411 3.551 20 0 EHADMM COc1ccccc1[C@H](CC(C)C)NCc1cccc(C(=O)[O-])n1 ZINC000902388644 980866633 /nfs/dbraw/zinc/86/66/33/980866633.db2.gz WTXOSQNHQOCMGT-KRWDZBQOSA-N -1 1 328.412 3.665 20 0 EHADMM CC(C)CO[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902403458 980872210 /nfs/dbraw/zinc/87/22/10/980872210.db2.gz DKGDWFQIPKIROS-CQSZACIVSA-N -1 1 345.361 3.651 20 0 EHADMM CC(C)C[C@@H]1COCCN1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902516913 980917454 /nfs/dbraw/zinc/91/74/54/980917454.db2.gz NXGCWXKZDLAHSM-QGZVFWFLSA-N -1 1 343.423 3.892 20 0 EHADMM CC[C@@H]1CN([C@H](C)c2nc(C(=O)[O-])co2)CC[C@@H]1c1ccccc1 ZINC001595484519 981222492 /nfs/dbraw/zinc/22/24/92/981222492.db2.gz RQTLMAWZJRJDLE-FMKPAKJESA-N -1 1 328.412 3.950 20 0 EHADMM CC[C@H]1CN(Cc2ncc(C(=O)[O-])s2)CC[C@H]1c1ccccc1 ZINC001595491048 981245319 /nfs/dbraw/zinc/24/53/19/981245319.db2.gz LELQHHHSDLKXKJ-DZGCQCFKSA-N -1 1 330.453 3.857 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(F)c1)c1ccccc1Br ZINC000683173203 1014728730 /nfs/dbraw/zinc/72/87/30/1014728730.db2.gz GXLZUVWYANDLMZ-CQSZACIVSA-N -1 1 338.176 3.504 20 0 EHADMM CC[C@](C)(C(=O)[O-])N(Cc1ncc(-c2cccs2)o1)CC1CC1 ZINC001594791605 981852251 /nfs/dbraw/zinc/85/22/51/981852251.db2.gz NMLSHIDOOKCHBM-QGZVFWFLSA-N -1 1 334.441 3.868 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC[C@H](CC(C)C)C2)c(C)c1C(=O)[O-] ZINC001599946025 985528659 /nfs/dbraw/zinc/52/86/59/985528659.db2.gz RQKWRBZZFKSPJI-HUUCEWRRSA-N -1 1 334.460 3.659 20 0 EHADMM CCOC[C@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(C)C ZINC001596890258 985809226 /nfs/dbraw/zinc/80/92/26/985809226.db2.gz XOBHUYYNMOTUSU-INIZCTEOSA-N -1 1 348.468 3.659 20 0 EHADMM Cc1[nH]c(SCc2cccc(C(=O)[O-])n2)nc1Cc1ccccc1 ZINC001599966140 985908446 /nfs/dbraw/zinc/90/84/46/985908446.db2.gz RQHXOGOGWGXPCK-UHFFFAOYSA-N -1 1 339.420 3.694 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC2(CC2)Oc2ccccc21 ZINC000890615982 1015282484 /nfs/dbraw/zinc/28/24/84/1015282484.db2.gz BYEAWEIRXJMCMY-UHFFFAOYSA-N -1 1 329.783 3.546 20 0 EHADMM CCc1[nH]c(CNCc2ccsc2C(F)(F)F)cc1C(=O)[O-] ZINC001597394626 987641923 /nfs/dbraw/zinc/64/19/23/987641923.db2.gz BQKDXDAZHUXTCD-UHFFFAOYSA-N -1 1 332.347 3.645 20 0 EHADMM CSC[C@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001599794084 988063908 /nfs/dbraw/zinc/06/39/08/988063908.db2.gz HCUHZHSOWXAQGH-ZDUSSCGKSA-N -1 1 346.452 3.615 20 0 EHADMM CCc1ccc2c(c1)CN(Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)CC2 ZINC001597569163 988331561 /nfs/dbraw/zinc/33/15/61/988331561.db2.gz RJPPYUPTOHSBIG-HNNXBMFYSA-N -1 1 339.435 3.659 20 0 EHADMM O=C(NC[C@@H]1CCC2(CCCC2)O1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000655366974 1015429601 /nfs/dbraw/zinc/42/96/01/1015429601.db2.gz WKTJXBGIUUPJDH-LBPRGKRZSA-N -1 1 343.345 3.633 20 0 EHADMM CCc1nnc(SCc2c(C(=O)[O-])sc3cccc(F)c32)[nH]1 ZINC001597736387 989087384 /nfs/dbraw/zinc/08/73/84/989087384.db2.gz UPRHTMFVGMQELH-UHFFFAOYSA-N -1 1 337.401 3.711 20 0 EHADMM CCc1n[nH]c(SCc2c(C(=O)[O-])sc3cccc(F)c32)n1 ZINC001597736387 989087393 /nfs/dbraw/zinc/08/73/93/989087393.db2.gz UPRHTMFVGMQELH-UHFFFAOYSA-N -1 1 337.401 3.711 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1Cc2ccccc2OC2(CCC2)C1 ZINC001597767308 989218732 /nfs/dbraw/zinc/21/87/32/989218732.db2.gz JFUIYDLMIMSKRK-UHFFFAOYSA-N -1 1 341.407 3.858 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2noc(-c3ccccc3C)n2)n1 ZINC000471196901 1015533116 /nfs/dbraw/zinc/53/31/16/1015533116.db2.gz XPTSSMZJZPADRM-UHFFFAOYSA-N -1 1 342.424 3.785 20 0 EHADMM CC(C)(C)c1ccncc1CNCc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001590515401 990125909 /nfs/dbraw/zinc/12/59/09/990125909.db2.gz JFTMDBYCRKLUGA-UHFFFAOYSA-N -1 1 327.428 3.573 20 0 EHADMM COc1ccccc1[C@@H](NC1CCC(C(=O)[O-])CC1)c1ccco1 ZINC001599699944 991202785 /nfs/dbraw/zinc/20/27/85/991202785.db2.gz JJDRERQWRBBLFN-WTNGLUPJSA-N -1 1 329.396 3.611 20 0 EHADMM COc1ccccc1C[C@@H]1CCCN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599709779 991351130 /nfs/dbraw/zinc/35/11/30/991351130.db2.gz CARQKELRBBNWKX-OCCSQVGLSA-N -1 1 346.452 3.618 20 0 EHADMM CN(CCOc1ccccc1C(C)(C)C)Cc1cc(C(=O)[O-])co1 ZINC001598499749 992417468 /nfs/dbraw/zinc/41/74/68/992417468.db2.gz ICBUVXMEUJUYTE-UHFFFAOYSA-N -1 1 331.412 3.786 20 0 EHADMM CN(Cc1cc(C(=O)[O-])cs1)Cc1cccc(OC(F)(F)F)c1 ZINC001598526609 992727951 /nfs/dbraw/zinc/72/79/51/992727951.db2.gz LAFKBJLUDNFEIS-UHFFFAOYSA-N -1 1 345.342 3.977 20 0 EHADMM C[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1cncc(C(=O)[O-])c1 ZINC001593232047 994380893 /nfs/dbraw/zinc/38/08/93/994380893.db2.gz LRZSPQNDXPPDDT-MEBBXXQBSA-N -1 1 332.400 3.807 20 0 EHADMM C[C@H](NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(C(=O)[O-])co1 ZINC001593246860 994459317 /nfs/dbraw/zinc/45/93/17/994459317.db2.gz OOTNENFHAMDGFN-QPUJVOFHSA-N -1 1 344.194 3.669 20 0 EHADMM C[C@](NCc1cccc(F)c1OC(F)F)(C(=O)[O-])c1ccccc1 ZINC001593303386 994735126 /nfs/dbraw/zinc/73/51/26/994735126.db2.gz CCCWWYNVUFASFY-QGZVFWFLSA-N -1 1 339.313 3.517 20 0 EHADMM C[C@@H](NCc1cccc(C(F)(F)F)n1)c1cc(C(=O)[O-])cs1 ZINC001593303691 994737062 /nfs/dbraw/zinc/73/70/62/994737062.db2.gz DQYPZCBSLAXZLH-MRVPVSSYSA-N -1 1 330.331 3.711 20 0 EHADMM O=S(=O)([N-]c1ncccc1F)c1ccc(-c2ccccc2)cc1 ZINC000180267079 1015890212 /nfs/dbraw/zinc/89/02/12/1015890212.db2.gz OACCQXNOLAUQNV-UHFFFAOYSA-N -1 1 328.368 3.689 20 0 EHADMM COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000536687725 1032131789 /nfs/dbraw/zinc/13/17/89/1032131789.db2.gz HKLKYMXFCGMWLF-HNNXBMFYSA-N -1 1 345.826 3.902 20 0 EHADMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001593694305 996149911 /nfs/dbraw/zinc/14/99/11/996149911.db2.gz WLUMDKDNPCFCRY-VHRDEZTHSA-N -1 1 338.181 3.952 20 0 EHADMM CC1(C)CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)Cc2ccccc2O1 ZINC001593942413 996968818 /nfs/dbraw/zinc/96/88/18/996968818.db2.gz JLUVOJJKYMFQAS-UHFFFAOYSA-N -1 1 340.423 3.764 20 0 EHADMM CC1(C)CN(Cc2cc(C(=O)[O-])c3n2CCCC3)Cc2ccccc21 ZINC001593942656 996969786 /nfs/dbraw/zinc/96/97/86/996969786.db2.gz OOZUHDHEWVKZDO-UHFFFAOYSA-N -1 1 338.451 3.816 20 0 EHADMM CC1(C)CN(Cc2c3ccccc3[nH]c2C(=O)[O-])[C@@H]1c1ccncc1 ZINC001593942834 996973440 /nfs/dbraw/zinc/97/34/40/996973440.db2.gz QMYSZBHTTNASQZ-GOSISDBHSA-N -1 1 335.407 3.844 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN(Cc1ccccc1C)C1CC1 ZINC001599498774 997071226 /nfs/dbraw/zinc/07/12/26/997071226.db2.gz HBDMFZXWLNRTLD-UHFFFAOYSA-N -1 1 325.408 3.866 20 0 EHADMM COCCCC[C@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001599224087 997724271 /nfs/dbraw/zinc/72/42/71/997724271.db2.gz OLNSCMWGXWEMOL-SFHVURJKSA-N -1 1 331.412 3.934 20 0 EHADMM C[C@@]12CCN(Cc3ccc(C(=O)[O-])c(F)c3)C[C@@H]1C2(Cl)Cl ZINC001594087202 998012557 /nfs/dbraw/zinc/01/25/57/998012557.db2.gz BSFVOOSIYMRGST-GXTWGEPZSA-N -1 1 332.202 3.540 20 0 EHADMM CCN(CCNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1C ZINC001625849132 1016206208 /nfs/dbraw/zinc/20/62/08/1016206208.db2.gz HKXDZFFZCYSGJO-UHFFFAOYSA-N -1 1 332.831 3.610 20 0 EHADMM COCCC1(C(=O)Nc2cc(C)cc(Br)c2[O-])CCC1 ZINC000182902563 1032149577 /nfs/dbraw/zinc/14/95/77/1032149577.db2.gz XSXWGYPNOVOPSI-UHFFFAOYSA-N -1 1 342.233 3.608 20 0 EHADMM Cc1cc(Br)c(CNC(=O)c2c([O-])cccc2F)s1 ZINC001167232284 1016686398 /nfs/dbraw/zinc/68/63/98/1016686398.db2.gz YFVDHMKAONYKDT-UHFFFAOYSA-N -1 1 344.205 3.594 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c1 ZINC000613577752 1016711166 /nfs/dbraw/zinc/71/11/66/1016711166.db2.gz WJERUIOWHKNXIT-LLVKDONJSA-N -1 1 329.421 3.974 20 0 EHADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000179463248 1016872286 /nfs/dbraw/zinc/87/22/86/1016872286.db2.gz MTJVXHQSUNOOSV-PWSUYJOCSA-N -1 1 326.234 3.805 20 0 EHADMM Cc1cc(-c2noc(CSc3nc(C)c(C)c(=O)[n-]3)n2)ccc1F ZINC000538518063 1032408382 /nfs/dbraw/zinc/40/83/82/1032408382.db2.gz JCWXKBMATVHMRE-UHFFFAOYSA-N -1 1 346.387 3.589 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1C ZINC000536993884 1032465765 /nfs/dbraw/zinc/46/57/65/1032465765.db2.gz OHUJVSJVLVOYGL-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM CO[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1(C)C ZINC000584422372 1032500679 /nfs/dbraw/zinc/50/06/79/1032500679.db2.gz UWYLCJJVCRXCNJ-KBPBESRZSA-N -1 1 346.254 3.866 20 0 EHADMM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(C3CCC3)s2)cc1 ZINC000669470418 1032663582 /nfs/dbraw/zinc/66/35/82/1032663582.db2.gz DMTRRZSCBRDPRC-INIZCTEOSA-N -1 1 346.452 3.725 20 0 EHADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1nccs1 ZINC000683541365 1017286191 /nfs/dbraw/zinc/28/61/91/1017286191.db2.gz YCKSPENVLAXKCB-UHFFFAOYSA-N -1 1 340.480 3.601 20 0 EHADMM O=C(OC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc2nc(C(F)F)[nH]c21 ZINC000924085849 1017457903 /nfs/dbraw/zinc/45/79/03/1017457903.db2.gz VEJPICJPSAZDED-KWBADKCTSA-N -1 1 336.338 3.615 20 0 EHADMM CC1(C)Nc2ccccc2[C@@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000892815331 1017502560 /nfs/dbraw/zinc/50/25/60/1017502560.db2.gz YBQBMCUKIJLPLZ-INIZCTEOSA-N -1 1 345.830 3.790 20 0 EHADMM CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)cc1OC ZINC000574147435 1032712114 /nfs/dbraw/zinc/71/21/14/1032712114.db2.gz WPMUTDWABMYKDX-ZIAGYGMSSA-N -1 1 345.443 3.700 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(Br)cc1 ZINC000051361536 1017673567 /nfs/dbraw/zinc/67/35/67/1017673567.db2.gz KYWSWPMCBFLTJP-UHFFFAOYSA-N -1 1 338.201 3.681 20 0 EHADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000221098600 1017697336 /nfs/dbraw/zinc/69/73/36/1017697336.db2.gz AXVODSGGOZWBRY-GWCFXTLKSA-N -1 1 326.234 3.805 20 0 EHADMM Cc1ccc2[nH]c(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cc2c1 ZINC000613668040 1017697318 /nfs/dbraw/zinc/69/73/18/1017697318.db2.gz PMWSHUVQSJDJRW-UHFFFAOYSA-N -1 1 332.363 3.824 20 0 EHADMM CCOc1ccc(F)c([N-]C(=O)c2cc(-c3cccnc3)on2)c1F ZINC000340431911 1017772469 /nfs/dbraw/zinc/77/24/69/1017772469.db2.gz VWEPVVGZYQDJGC-UHFFFAOYSA-N -1 1 345.305 3.666 20 0 EHADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)[nH]n1 ZINC000533689305 1017796877 /nfs/dbraw/zinc/79/68/77/1017796877.db2.gz FVDNZSODILJAOS-UHFFFAOYSA-N -1 1 345.827 3.592 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000683664092 1017928760 /nfs/dbraw/zinc/92/87/60/1017928760.db2.gz JZLSKIXMWNVOAH-UHFFFAOYSA-N -1 1 344.773 3.795 20 0 EHADMM CC(C)CCc1cc([N-]S(=O)(=O)Cc2ccccc2Cl)n[nH]1 ZINC000683714347 1018139837 /nfs/dbraw/zinc/13/98/37/1018139837.db2.gz TXAYFRFJOCXBDL-UHFFFAOYSA-N -1 1 341.864 3.594 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)c1 ZINC000683731193 1018231259 /nfs/dbraw/zinc/23/12/59/1018231259.db2.gz BYYRKJHMBPYIDM-UHFFFAOYSA-N -1 1 335.425 3.592 20 0 EHADMM O=C(c1nc[n-]c1-c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1)c1ccccc1 ZINC000656046665 1018352430 /nfs/dbraw/zinc/35/24/30/1018352430.db2.gz ATGGLWJOLJFKAZ-BFHYXJOUSA-N -1 1 334.379 3.594 20 0 EHADMM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000610359953 1018482701 /nfs/dbraw/zinc/48/27/01/1018482701.db2.gz BHQMOWNEUKVYCJ-UHFFFAOYSA-N -1 1 327.380 3.529 20 0 EHADMM Cc1cccc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)c1 ZINC000580123871 1018677782 /nfs/dbraw/zinc/67/77/82/1018677782.db2.gz IHTRBEPBBYIZME-UHFFFAOYSA-N -1 1 330.347 3.666 20 0 EHADMM CCc1nc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)[n-]c(=O)c1C ZINC000576360726 1018876265 /nfs/dbraw/zinc/87/62/65/1018876265.db2.gz NCBJWEZPBSQWFA-ZDUSSCGKSA-N -1 1 345.468 3.789 20 0 EHADMM Cc1cccc(C)c1CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000606719212 1032819190 /nfs/dbraw/zinc/81/91/90/1032819190.db2.gz APVTXURVUUMEKF-UHFFFAOYSA-N -1 1 347.484 3.518 20 0 EHADMM COc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)cc(Cl)c1[O-] ZINC000428707275 1032819285 /nfs/dbraw/zinc/81/92/85/1032819285.db2.gz KKGKZDFJCQKVFZ-LBPRGKRZSA-N -1 1 349.789 3.823 20 0 EHADMM COC(=O)c1[n-]c(=N[C@H](C)c2ccccc2C(F)(F)F)sc1C ZINC000433765856 1019593472 /nfs/dbraw/zinc/59/34/72/1019593472.db2.gz MOKMPCVPPXHWJQ-MRVPVSSYSA-N -1 1 344.358 3.852 20 0 EHADMM O=S(=O)([N-]c1cccnc1Cl)c1ccccc1C(F)(F)F ZINC000058704365 1032843874 /nfs/dbraw/zinc/84/38/74/1032843874.db2.gz SMQRFZKMJLYMRF-UHFFFAOYSA-N -1 1 336.722 3.555 20 0 EHADMM Cc1c([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[nH]c1C1CC1 ZINC000760319990 1032851285 /nfs/dbraw/zinc/85/12/85/1032851285.db2.gz LKZOJAGYABAYEQ-CMDGGOBGSA-N -1 1 337.832 3.662 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(F)cc(Cl)c1 ZINC000340816534 1020187042 /nfs/dbraw/zinc/18/70/42/1020187042.db2.gz FZYHPVYRAHHTEP-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ncc(C(C)(C)C)s2)[n-]c1=O ZINC000280445133 1020385983 /nfs/dbraw/zinc/38/59/83/1020385983.db2.gz KHTXDJYMEPMCQY-JXMROGBWSA-N -1 1 347.440 3.673 20 0 EHADMM CCc1nc(SCc2cncn2Cc2ccccc2)[n-]c(=O)c1C ZINC000581381000 1020765664 /nfs/dbraw/zinc/76/56/64/1020765664.db2.gz MKRPATRGCMJEKY-UHFFFAOYSA-N -1 1 340.452 3.590 20 0 EHADMM O=C([O-])C[C@@H](NCc1cc(F)ccc1OC(F)F)c1cccs1 ZINC000656574017 1020936830 /nfs/dbraw/zinc/93/68/30/1020936830.db2.gz SORYOLXWXGHZEW-LLVKDONJSA-N -1 1 345.342 3.794 20 0 EHADMM CO[C@H](CS(=O)(=O)[N-]c1cccc2cnccc21)C1CCCCC1 ZINC000656735067 1021228177 /nfs/dbraw/zinc/22/81/77/1021228177.db2.gz QUPMNEMZDNEOMT-GOSISDBHSA-N -1 1 348.468 3.572 20 0 EHADMM Cc1csc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000436807496 1021253603 /nfs/dbraw/zinc/25/36/03/1021253603.db2.gz LJMVNADMIQCKHC-UHFFFAOYSA-N -1 1 344.358 3.841 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c([O-])c1 ZINC000436812507 1021258268 /nfs/dbraw/zinc/25/82/68/1021258268.db2.gz DYBRXDKRGDCVNJ-UHFFFAOYSA-N -1 1 336.391 3.620 20 0 EHADMM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436833925 1021267259 /nfs/dbraw/zinc/26/72/59/1021267259.db2.gz KMJQSHXMLJKFEO-OAHLLOKOSA-N -1 1 337.778 3.644 20 0 EHADMM O=C(NCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1[O-] ZINC000436838979 1021282042 /nfs/dbraw/zinc/28/20/42/1021282042.db2.gz KPOBVURPUYGQGJ-UHFFFAOYSA-N -1 1 327.714 3.577 20 0 EHADMM O=C([O-])CCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000656760739 1021292676 /nfs/dbraw/zinc/29/26/76/1021292676.db2.gz YYDLWGBNGLOCCT-UHFFFAOYSA-N -1 1 345.270 3.760 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2ccccc2OC2CC2)[C@H]2CCCC[C@H]12 ZINC000656768722 1021306458 /nfs/dbraw/zinc/30/64/58/1021306458.db2.gz WLOHHSGTWPCYMK-KURKYZTESA-N -1 1 329.440 3.693 20 0 EHADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)c1OC ZINC000436874071 1021316544 /nfs/dbraw/zinc/31/65/44/1021316544.db2.gz PESXFXBAZRIJGO-UHFFFAOYSA-N -1 1 330.315 3.574 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C/c3ccccc3-n3cccn3)n2)c(F)c1 ZINC000436874772 1021319463 /nfs/dbraw/zinc/31/94/63/1021319463.db2.gz RKGBKWHPHIUPJX-RMKNXTFCSA-N -1 1 348.337 3.937 20 0 EHADMM CCOc1cc(-c2noc(C3(SC)CC3)n2)cc(Cl)c1[O-] ZINC000436875480 1021321186 /nfs/dbraw/zinc/32/11/86/1021321186.db2.gz DKWALWOTCULISJ-UHFFFAOYSA-N -1 1 326.805 3.846 20 0 EHADMM CCCOc1cccnc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436875543 1021321657 /nfs/dbraw/zinc/32/16/57/1021321657.db2.gz YBRIJKXDQRRICS-UHFFFAOYSA-N -1 1 331.759 3.946 20 0 EHADMM O=C(CSc1nc2ccc(Cl)cc2o1)c1ccc([O-])c(O)c1 ZINC000058806572 1032971353 /nfs/dbraw/zinc/97/13/53/1032971353.db2.gz BKNICMAZVZBOQZ-UHFFFAOYSA-N -1 1 335.768 3.867 20 0 EHADMM CC1(C)[C@H](NC(=O)c2ccc([O-])cc2F)C[C@@H]1OCc1ccccc1 ZINC000436916452 1021372716 /nfs/dbraw/zinc/37/27/16/1021372716.db2.gz WKLCVQXBMYEXHN-MSOLQXFVSA-N -1 1 343.398 3.645 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCc2occc2C1 ZINC000436923450 1021384682 /nfs/dbraw/zinc/38/46/82/1021384682.db2.gz CKRCRVQSNNMJHH-UHFFFAOYSA-N -1 1 325.286 3.593 20 0 EHADMM COc1ccc(-c2nc(Cc3c[nH]c4cccc(C)c34)no2)c([O-])c1 ZINC000436934928 1021395589 /nfs/dbraw/zinc/39/55/89/1021395589.db2.gz USOCNLPGYHELFL-UHFFFAOYSA-N -1 1 335.363 3.831 20 0 EHADMM Cc1cccc([C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C(C)(C)C)c1 ZINC000436938571 1021401764 /nfs/dbraw/zinc/40/17/64/1021401764.db2.gz JRNWRPVVRJOPEC-GOSISDBHSA-N -1 1 325.408 3.787 20 0 EHADMM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(Cl)ccc1[O-] ZINC000436941230 1021402315 /nfs/dbraw/zinc/40/23/15/1021402315.db2.gz PDJIGAMCEPTSDH-WMLDXEAASA-N -1 1 349.789 3.835 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(C[C@@H](C)c3ccccc3)no2)c1 ZINC000436944500 1021405429 /nfs/dbraw/zinc/40/54/29/1021405429.db2.gz KHDAKCDJAPLIIH-GFCCVEGCSA-N -1 1 337.379 3.747 20 0 EHADMM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1c([O-])cccc1F ZINC000436944637 1021406089 /nfs/dbraw/zinc/40/60/89/1021406089.db2.gz NHWFCRFMTBYEAE-ZWNOBZJWSA-N -1 1 339.288 3.836 20 0 EHADMM CO[C@H](c1noc(-c2cc(F)ccc2[O-])n1)c1ccccc1Cl ZINC000436953500 1021419198 /nfs/dbraw/zinc/41/91/98/1021419198.db2.gz QAQYTSFUILBXAN-AWEZNQCLSA-N -1 1 334.734 3.971 20 0 EHADMM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cc(F)ccc1[O-] ZINC000436976129 1021430529 /nfs/dbraw/zinc/43/05/29/1021430529.db2.gz AVCCZOWQJMNSDA-UHFFFAOYSA-N -1 1 337.310 3.691 20 0 EHADMM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436990001 1021444866 /nfs/dbraw/zinc/44/48/66/1021444866.db2.gz OQRKQDDAACSLKT-UHFFFAOYSA-N -1 1 347.346 3.750 20 0 EHADMM O=C(NCc1cccc(OC(F)F)c1)c1ccc(Cl)cc1[O-] ZINC000436986200 1021458970 /nfs/dbraw/zinc/45/89/70/1021458970.db2.gz QLYDWURGTFONIA-UHFFFAOYSA-N -1 1 327.714 3.577 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])nn1-c1ccc(Cl)cc1 ZINC000437007576 1021464489 /nfs/dbraw/zinc/46/44/89/1021464489.db2.gz VQCLVAYHRNGMBF-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000650454998 1021570127 /nfs/dbraw/zinc/57/01/27/1021570127.db2.gz FZFMUVZUARYACB-UHFFFAOYSA-N -1 1 339.848 3.663 20 0 EHADMM Cc1nc(-c2ccc(NC3CCC(F)(F)CC3)nc2)[n-]c(=O)c1C ZINC000341388701 1021661496 /nfs/dbraw/zinc/66/14/96/1021661496.db2.gz IJCQVWPVMLCZGL-UHFFFAOYSA-N -1 1 334.370 3.851 20 0 EHADMM CCc1nc(SCCCOc2ccc(OC)cc2)[n-]c(=O)c1C ZINC000581835460 1021857033 /nfs/dbraw/zinc/85/70/33/1021857033.db2.gz AOTHSAHDAGMMKG-UHFFFAOYSA-N -1 1 334.441 3.623 20 0 EHADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440920392 1021869742 /nfs/dbraw/zinc/86/97/42/1021869742.db2.gz UGCUJVCVVNHZKS-NQCMUKECSA-N -1 1 349.858 3.855 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1cc2ccccc2o1 ZINC000516951787 1021883889 /nfs/dbraw/zinc/88/38/89/1021883889.db2.gz FSAJQGOJTJEZRD-LBPRGKRZSA-N -1 1 329.368 3.537 20 0 EHADMM Cc1ccc(Nc2nc(CN3CC[C@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000517030274 1021957313 /nfs/dbraw/zinc/95/73/13/1021957313.db2.gz QKXDRZXYZRWLRY-BBRMVZONSA-N -1 1 345.468 3.738 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cc(F)ccc1F ZINC000607163454 1033021251 /nfs/dbraw/zinc/02/12/51/1033021251.db2.gz XULHAZQNJVVTAB-AWEZNQCLSA-N -1 1 347.333 3.673 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1OC(C)C ZINC000546181028 1022293708 /nfs/dbraw/zinc/29/37/08/1022293708.db2.gz QMDRXYOOUVRNDT-UHFFFAOYSA-N -1 1 349.452 3.900 20 0 EHADMM Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(Cl)cc1F ZINC000506203955 1022552149 /nfs/dbraw/zinc/55/21/49/1022552149.db2.gz NVWUOXNXBFXPDS-UHFFFAOYSA-N -1 1 335.688 3.914 20 0 EHADMM Cc1sc(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)c(C)c1C ZINC000330669843 1022631285 /nfs/dbraw/zinc/63/12/85/1022631285.db2.gz DAOAJCGDVHKVKF-UHFFFAOYSA-N -1 1 337.470 3.517 20 0 EHADMM COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)c([O-])c1 ZINC000111687763 1022704926 /nfs/dbraw/zinc/70/49/26/1022704926.db2.gz MZVJITNAKCNOKH-UHFFFAOYSA-N -1 1 347.168 3.880 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)c([O-])c1 ZINC000112183114 1022810454 /nfs/dbraw/zinc/81/04/54/1022810454.db2.gz MBLFSMYPZVPOTI-UHFFFAOYSA-N -1 1 336.347 3.840 20 0 EHADMM CCc1oc2ccccc2c1CNCc1ccc(C(=O)[O-])c(CC)n1 ZINC000426672219 1022891388 /nfs/dbraw/zinc/89/13/88/1022891388.db2.gz ZZQWFWMCEUTYSM-UHFFFAOYSA-N -1 1 338.407 3.941 20 0 EHADMM Cc1cccc([C@@H](NCc2cnc(-c3ccccc3)[nH]2)C(=O)[O-])c1C ZINC000426730880 1022999810 /nfs/dbraw/zinc/99/98/10/1022999810.db2.gz MVHWCIUFYOOAMM-GOSISDBHSA-N -1 1 335.407 3.609 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000426777979 1023038233 /nfs/dbraw/zinc/03/82/33/1023038233.db2.gz SIPWVUXAUZDMCP-AWEZNQCLSA-N -1 1 327.277 3.760 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000089926573 1023046503 /nfs/dbraw/zinc/04/65/03/1023046503.db2.gz UEACBDCKXKGXNK-UHFFFAOYSA-N -1 1 326.783 3.725 20 0 EHADMM CCCOc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc1OC ZINC000426793636 1023052424 /nfs/dbraw/zinc/05/24/24/1023052424.db2.gz OMKDEJCVTZXCQM-OAHLLOKOSA-N -1 1 347.411 3.691 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(-c2cccnc2)c1)c1ccccc1F ZINC000426799495 1023056548 /nfs/dbraw/zinc/05/65/48/1023056548.db2.gz LESYRYDLTOLJKR-LJQANCHMSA-N -1 1 336.366 3.803 20 0 EHADMM CCOc1cccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000426810462 1023062217 /nfs/dbraw/zinc/06/22/17/1023062217.db2.gz ZRZOMMVGAQMVKB-GOSISDBHSA-N -1 1 342.439 3.909 20 0 EHADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(Cl)c(F)c2)no1 ZINC000430976375 1023065006 /nfs/dbraw/zinc/06/50/06/1023065006.db2.gz BCFKJVPDTQDOFK-UHFFFAOYSA-N -1 1 346.811 3.707 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3c(c2)CCCC3)[n-]c1=O ZINC000426909582 1023109935 /nfs/dbraw/zinc/10/99/35/1023109935.db2.gz PAHGPCVLRFWMDP-RAXLEYEMSA-N -1 1 338.407 3.798 20 0 EHADMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426963415 1023139420 /nfs/dbraw/zinc/13/94/20/1023139420.db2.gz HIBOYRJJTZNVNM-XJKCOSOUSA-N -1 1 341.480 3.546 20 0 EHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c(C)c1 ZINC000518228698 1023140544 /nfs/dbraw/zinc/14/05/44/1023140544.db2.gz WJOIDBAPGGUUAQ-UHFFFAOYSA-N -1 1 344.358 3.826 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1ccccc1F)C1CCCCC1 ZINC000427094119 1023209195 /nfs/dbraw/zinc/20/91/95/1023209195.db2.gz PLCLRUCFDKMKCF-UHFFFAOYSA-N -1 1 328.387 3.901 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cc(Cl)c1[O-] ZINC000424978536 1023277172 /nfs/dbraw/zinc/27/71/72/1023277172.db2.gz XADICTSGJCCNJY-QAPCUYQASA-N -1 1 349.789 3.811 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000471928261 1023278953 /nfs/dbraw/zinc/27/89/53/1023278953.db2.gz HCGJQRDJPCPPLX-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM C[C@H](CS(=O)(=O)[N-]c1cc(F)cc(F)c1F)c1ccccc1 ZINC000431143494 1023328900 /nfs/dbraw/zinc/32/89/00/1023328900.db2.gz KKPYGTCIORZXCN-SNVBAGLBSA-N -1 1 329.343 3.649 20 0 EHADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2sc(C)cc2C)c1 ZINC000431178462 1023384921 /nfs/dbraw/zinc/38/49/21/1023384921.db2.gz ACOATLOQLPGNIE-UHFFFAOYSA-N -1 1 331.846 3.828 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(NC(N)=O)cc1 ZINC000093964922 1024124892 /nfs/dbraw/zinc/12/48/92/1024124892.db2.gz UTLOCTBCATVJIX-LBPRGKRZSA-N -1 1 349.390 3.527 20 0 EHADMM CCC(CC)(CNC(=O)c1ccc(Br)c([O-])c1)SC ZINC000231349046 1033190405 /nfs/dbraw/zinc/19/04/05/1033190405.db2.gz JKWDZOXUJMRTOQ-UHFFFAOYSA-N -1 1 346.290 3.806 20 0 EHADMM O=S(=O)([N-]c1c(O)cccc1F)c1ccc(Cl)cc1Cl ZINC000684653272 1024291091 /nfs/dbraw/zinc/29/10/91/1024291091.db2.gz PVKQOLQCYDCXDX-UHFFFAOYSA-N -1 1 336.171 3.639 20 0 EHADMM C[C@H](N=c1ccc(N(Cc2cccnc2)C2CC2)n[n-]1)c1ccccc1 ZINC000425215854 1024454348 /nfs/dbraw/zinc/45/43/48/1024454348.db2.gz OYECHZGNYBBLRR-INIZCTEOSA-N -1 1 345.450 3.636 20 0 EHADMM C[C@@H](N=c1ccc(N2CCC(C(F)F)CC2)n[n-]1)c1ccccc1 ZINC000425238154 1024498034 /nfs/dbraw/zinc/49/80/34/1024498034.db2.gz MJFJORQMNXHGFN-CYBMUJFWSA-N -1 1 332.398 3.553 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c1 ZINC000607616868 1033216558 /nfs/dbraw/zinc/21/65/58/1033216558.db2.gz ZWWJBIGEDQNLKD-UHFFFAOYSA-N -1 1 335.425 3.592 20 0 EHADMM Cc1ccc2nc([N-]S(=O)(=O)c3csc4ccccc43)[nH]c2c1 ZINC000427629334 1024523320 /nfs/dbraw/zinc/52/33/20/1024523320.db2.gz IKADFWMXGJZKIO-UHFFFAOYSA-N -1 1 343.433 3.887 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)c(C)s1 ZINC000434972952 1024534674 /nfs/dbraw/zinc/53/46/74/1024534674.db2.gz KCTPKFFRGILATE-UHFFFAOYSA-N -1 1 347.465 3.864 20 0 EHADMM CN(Cc1ccccc1)c1ccccc1NC(=O)c1cncc([O-])c1 ZINC000346277278 1024566484 /nfs/dbraw/zinc/56/64/84/1024566484.db2.gz HFGDYSWZMZIQNA-UHFFFAOYSA-N -1 1 333.391 3.676 20 0 EHADMM Cc1n[n-]c(=NCc2ccc(-c3cccc(F)c3)s2)n1C1CC1 ZINC000340709117 1024608504 /nfs/dbraw/zinc/60/85/04/1024608504.db2.gz LDFVIUQRICEYGE-UHFFFAOYSA-N -1 1 328.416 3.823 20 0 EHADMM Cc1[nH]c2ccccc2c1CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000342262100 1024609775 /nfs/dbraw/zinc/60/97/75/1024609775.db2.gz CGDZEVJEBJEPSU-UHFFFAOYSA-N -1 1 336.420 3.531 20 0 EHADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)sc1C ZINC000435220661 1024703118 /nfs/dbraw/zinc/70/31/18/1024703118.db2.gz QVKGPXMQPDNGBE-MRVPVSSYSA-N -1 1 348.852 3.592 20 0 EHADMM O=C(C[C@@H]1CCc2sccc2C1=O)Nc1ccc([O-])c(F)c1F ZINC000897931330 1033231098 /nfs/dbraw/zinc/23/10/98/1033231098.db2.gz QAVOEQOZLVEPAX-QMMMGPOBSA-N -1 1 337.347 3.506 20 0 EHADMM O=S(=O)([N-]c1ccccc1Cl)c1cnccc1C(F)(F)F ZINC000442839952 1024781655 /nfs/dbraw/zinc/78/16/55/1024781655.db2.gz VKXVYNSZICUJKE-UHFFFAOYSA-N -1 1 336.722 3.555 20 0 EHADMM CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc21 ZINC000780992372 1024836739 /nfs/dbraw/zinc/83/67/39/1024836739.db2.gz RGNOMDPSNQRMTI-UHFFFAOYSA-N -1 1 330.771 3.528 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000474413334 1024924178 /nfs/dbraw/zinc/92/41/78/1024924178.db2.gz MWZOXNKQHMHMAI-UHFFFAOYSA-N -1 1 339.848 3.830 20 0 EHADMM CC(C)c1ccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cn1 ZINC000435462972 1024937710 /nfs/dbraw/zinc/93/77/10/1024937710.db2.gz JMUSNHWFHLXJCU-UHFFFAOYSA-N -1 1 342.349 3.548 20 0 EHADMM C[C@@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)C(F)(F)F ZINC000582064759 1025138003 /nfs/dbraw/zinc/13/80/03/1025138003.db2.gz PWRSIHUEHKSKCP-BYPYZUCNSA-N -1 1 346.530 3.945 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)o1 ZINC000443994837 1025159121 /nfs/dbraw/zinc/15/91/21/1025159121.db2.gz UCDLAFTWMUCNIH-ZDUSSCGKSA-N -1 1 347.358 3.868 20 0 EHADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cccnc2C(F)(F)F)c1 ZINC000515327239 1025166550 /nfs/dbraw/zinc/16/65/50/1025166550.db2.gz KDSQGFQOBJIHDK-UHFFFAOYSA-N -1 1 344.358 3.659 20 0 EHADMM COC(=O)[C@H](CC(C)C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000285038141 1025232851 /nfs/dbraw/zinc/23/28/51/1025232851.db2.gz FDMPJGNZNMECOF-AWEZNQCLSA-N -1 1 346.452 3.837 20 0 EHADMM CCOc1cc(-c2noc([C@](C)(O)C3CCC3)n2)cc(Cl)c1[O-] ZINC000896205554 1025236722 /nfs/dbraw/zinc/23/67/22/1025236722.db2.gz RXKLXJHDFVWEGD-MRXNPFEDSA-N -1 1 338.791 3.502 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1ccn(C)n1 ZINC000843605650 1025372193 /nfs/dbraw/zinc/37/21/93/1025372193.db2.gz PMPDBKOXPMHHFC-QMMMGPOBSA-N -1 1 348.180 3.696 20 0 EHADMM CCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H](CC)c1ccccc1 ZINC000519888229 1025405394 /nfs/dbraw/zinc/40/53/94/1025405394.db2.gz IFPHKVBDAHCPKH-SFHVURJKSA-N -1 1 349.434 3.927 20 0 EHADMM Cc1ccc(NC(=O)c2ccccc2[O-])c(OC[C@@H]2CCCO2)c1 ZINC000098106763 1025422505 /nfs/dbraw/zinc/42/25/05/1025422505.db2.gz PPDLMZMIGJSVRL-AWEZNQCLSA-N -1 1 327.380 3.511 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc1 ZINC000451060954 1025484865 /nfs/dbraw/zinc/48/48/65/1025484865.db2.gz KMSARVYPVXQSEW-CQSZACIVSA-N -1 1 349.477 3.713 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(C)c1C ZINC000442843430 1025515863 /nfs/dbraw/zinc/51/58/63/1025515863.db2.gz DHFMSSXFSJSTOE-UHFFFAOYSA-N -1 1 331.393 3.859 20 0 EHADMM COc1cc(C(=O)N2CC3(CC3)c3ccccc32)cc(Cl)c1[O-] ZINC000442984242 1025646555 /nfs/dbraw/zinc/64/65/55/1025646555.db2.gz RXJHUBCKQXULFL-UHFFFAOYSA-N -1 1 329.783 3.746 20 0 EHADMM Cc1nsc([N-]C(=O)c2cnc(-c3c(F)cccc3F)s2)n1 ZINC001126565108 1025774711 /nfs/dbraw/zinc/77/47/11/1025774711.db2.gz ICCCRMAYPXFNTO-UHFFFAOYSA-N -1 1 338.364 3.501 20 0 EHADMM COCc1cc(CNC(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000436486631 1025789961 /nfs/dbraw/zinc/78/99/61/1025789961.db2.gz JOFLXIWXXIZAOE-UHFFFAOYSA-N -1 1 339.366 3.761 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000436503030 1025796476 /nfs/dbraw/zinc/79/64/76/1025796476.db2.gz FIIQNWQKOHJIQC-UHFFFAOYSA-N -1 1 344.754 3.566 20 0 EHADMM C[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@@H](C)C1 ZINC000436513790 1025811127 /nfs/dbraw/zinc/81/11/27/1025811127.db2.gz NBRNBBNQXJRINA-MNOVXSKESA-N -1 1 326.234 3.663 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 ZINC000436517173 1025847430 /nfs/dbraw/zinc/84/74/30/1025847430.db2.gz YKBGMHWGLQXKIG-GFCCVEGCSA-N -1 1 345.420 3.607 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCSC[C@H]1c1ccccc1 ZINC000436551021 1025857416 /nfs/dbraw/zinc/85/74/16/1025857416.db2.gz WBBBKDZWTROQER-HNNXBMFYSA-N -1 1 333.840 3.976 20 0 EHADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1OCC1CCOCC1 ZINC000436562335 1025889293 /nfs/dbraw/zinc/88/92/93/1025889293.db2.gz 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CC(C)n1ncc2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc21 ZINC000685436054 1033323373 /nfs/dbraw/zinc/32/33/73/1033323373.db2.gz GZDXUPVEPGMKBE-UHFFFAOYSA-N -1 1 331.322 3.853 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)[nH]n1 ZINC000033893884 1033331119 /nfs/dbraw/zinc/33/11/19/1033331119.db2.gz YQMPSFXBUWVMAM-UHFFFAOYSA-N -1 1 348.255 3.815 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC000607880540 1033348220 /nfs/dbraw/zinc/34/82/20/1033348220.db2.gz QHPFTBNWQNWXJK-UHFFFAOYSA-N -1 1 347.436 3.772 20 0 EHADMM O=C(Nc1ccn(-c2ccccc2)n1)c1cc2ccccc2cc1[O-] ZINC000105713589 1033491603 /nfs/dbraw/zinc/49/16/03/1033491603.db2.gz JPCDZEASPGCELH-UHFFFAOYSA-N -1 1 329.359 3.983 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]2CCCC[C@@H]21 ZINC000044490792 1033497001 /nfs/dbraw/zinc/49/70/01/1033497001.db2.gz JYTJRYWSPSMDCG-RISCZKNCSA-N -1 1 338.245 3.950 20 0 EHADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000044491247 1033498980 /nfs/dbraw/zinc/49/89/80/1033498980.db2.gz 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ZINC001127215999 1033939252 /nfs/dbraw/zinc/93/92/52/1033939252.db2.gz QWGFWQVQKOZBME-UHFFFAOYSA-N -1 1 345.267 3.521 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(Sc2ccc(C)cc2)CCCC1 ZINC000615223000 1034364750 /nfs/dbraw/zinc/36/47/50/1034364750.db2.gz WGRLKQAJDMWOKD-UHFFFAOYSA-N -1 1 331.441 3.776 20 0 EHADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000278787506 1034626459 /nfs/dbraw/zinc/62/64/59/1034626459.db2.gz XVXBXHMZZNLKAO-CQSZACIVSA-N -1 1 337.763 3.575 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000278787506 1034626481 /nfs/dbraw/zinc/62/64/81/1034626481.db2.gz XVXBXHMZZNLKAO-CQSZACIVSA-N -1 1 337.763 3.575 20 0 EHADMM Cc1cccc2nc(Cc3cccc(Br)c3[O-])[nH]c(=O)c12 ZINC000443056948 1034678383 /nfs/dbraw/zinc/67/83/83/1034678383.db2.gz IISGLNUAHQTIFT-UHFFFAOYSA-N -1 1 345.196 3.703 20 0 EHADMM O=C(CCCOc1ccc2c(c1)CCC2)Nc1ccc([O-])c(F)c1F ZINC000456791171 1034733248 /nfs/dbraw/zinc/73/32/48/1034733248.db2.gz XJXSCYOVAAIPTP-UHFFFAOYSA-N -1 1 347.361 3.957 20 0 EHADMM Cc1c(C(=O)Nc2c([O-])cccc2F)cnn1-c1cccc(Cl)c1 ZINC000605435226 1034734106 /nfs/dbraw/zinc/73/41/06/1034734106.db2.gz NCUFMUGOVDIMCZ-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c1 ZINC000450959979 1034988228 /nfs/dbraw/zinc/98/82/28/1034988228.db2.gz NYFYBCAOMCCLRJ-UHFFFAOYSA-N -1 1 346.452 3.699 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c1 ZINC000530144786 1035004457 /nfs/dbraw/zinc/00/44/57/1035004457.db2.gz MAFVDLXCWCCVSR-UHFFFAOYSA-N -1 1 345.464 3.944 20 0 EHADMM Cc1cccc(C)c1OCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530167597 1035016561 /nfs/dbraw/zinc/01/65/61/1035016561.db2.gz DMRKHUSLWRHFIV-UHFFFAOYSA-N -1 1 343.398 3.578 20 0 EHADMM C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1(C)C ZINC000570456803 1035272512 /nfs/dbraw/zinc/27/25/12/1035272512.db2.gz MTMBNROFTDBBEE-CYBMUJFWSA-N -1 1 328.412 3.908 20 0 EHADMM C[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1(C)C ZINC000570456803 1035272517 /nfs/dbraw/zinc/27/25/17/1035272517.db2.gz MTMBNROFTDBBEE-CYBMUJFWSA-N -1 1 328.412 3.908 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000685864544 1035477866 /nfs/dbraw/zinc/47/78/66/1035477866.db2.gz RIPUZHNDHKNBMQ-CQSZACIVSA-N -1 1 345.374 3.549 20 0 EHADMM CCc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2OC)c1 ZINC000571526629 1035545297 /nfs/dbraw/zinc/54/52/97/1035545297.db2.gz JDNYYNIGMPIYDF-KRWDZBQOSA-N -1 1 343.423 3.572 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000540709883 1035614754 /nfs/dbraw/zinc/61/47/54/1035614754.db2.gz GMIJUNKYCQJNSC-CQSZACIVSA-N -1 1 336.313 3.783 20 0 EHADMM CCOc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)cc(Cl)c1[O-] ZINC000186700923 1035691871 /nfs/dbraw/zinc/69/18/71/1035691871.db2.gz YTTHBANHADOBKK-UHFFFAOYSA-N -1 1 349.818 3.784 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)c1ccc(OC(C)C)cc1 ZINC000760678069 1035719776 /nfs/dbraw/zinc/71/97/76/1035719776.db2.gz MXBYIYLENNUEIY-UHFFFAOYSA-N -1 1 343.427 3.678 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)s1 ZINC000540865614 1035746487 /nfs/dbraw/zinc/74/64/87/1035746487.db2.gz GXNMZAZVTNQTLS-VIFPVBQESA-N -1 1 329.409 3.702 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)c1 ZINC000187079366 1035751905 /nfs/dbraw/zinc/75/19/05/1035751905.db2.gz DKQGJZYVHWFGSJ-UHFFFAOYSA-N -1 1 331.393 3.688 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc3ncccc23)cc(C)c1F ZINC000534942325 1035818781 /nfs/dbraw/zinc/81/87/81/1035818781.db2.gz ZDUSCVFPHNXYET-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3ncccc23)cc1C ZINC000170047559 1035872534 /nfs/dbraw/zinc/87/25/34/1035872534.db2.gz BGSVCGZVSUGJKW-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM O=c1cc(C(F)F)nc(SCCCc2nc3ccccc3[nH]2)[n-]1 ZINC000572488404 1036114581 /nfs/dbraw/zinc/11/45/81/1036114581.db2.gz GTJMGHPPEYVSEE-UHFFFAOYSA-N -1 1 336.367 3.721 20 0 EHADMM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613511417 1036241871 /nfs/dbraw/zinc/24/18/71/1036241871.db2.gz WVTHHYZKERLBQP-UHFFFAOYSA-N -1 1 345.370 3.668 20 0 EHADMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000464362229 1036374679 /nfs/dbraw/zinc/37/46/79/1036374679.db2.gz BZFZWPCFASNDHS-LURJTMIESA-N -1 1 336.162 3.613 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c(C)c1 ZINC000685902372 1036521051 /nfs/dbraw/zinc/52/10/51/1036521051.db2.gz PPUQTYCHTVTPAQ-UHFFFAOYSA-N -1 1 344.358 3.826 20 0 EHADMM CC(C)[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cccc(Cl)c1 ZINC000176124960 1036567121 /nfs/dbraw/zinc/56/71/21/1036567121.db2.gz FBQNKOQCJKOZCS-JTQLQIEISA-N -1 1 346.740 3.855 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](Nc2ccccc2)C1 ZINC000102898653 1036786637 /nfs/dbraw/zinc/78/66/37/1036786637.db2.gz UTCOFOMOAZRXPV-QGZVFWFLSA-N -1 1 332.403 3.872 20 0 EHADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2)n[nH]1 ZINC000177500572 1036858611 /nfs/dbraw/zinc/85/86/11/1036858611.db2.gz QHFCQPFRFUQHMD-UHFFFAOYSA-N -1 1 343.408 3.620 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2C)cc1 ZINC000006368604 1037243848 /nfs/dbraw/zinc/24/38/48/1037243848.db2.gz IGWMAPCVEDQUNV-UHFFFAOYSA-N -1 1 347.436 3.535 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1F ZINC000614825537 1037362087 /nfs/dbraw/zinc/36/20/87/1037362087.db2.gz CRIJZGKNAHTPCF-UHFFFAOYSA-N -1 1 337.416 3.834 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)ccc1F ZINC000591797475 1037605610 /nfs/dbraw/zinc/60/56/10/1037605610.db2.gz WTMWVDWSWPGXPC-UHFFFAOYSA-N -1 1 337.416 3.860 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCN(c2ccccc2F)C1 ZINC000378004979 1037643334 /nfs/dbraw/zinc/64/33/34/1037643334.db2.gz SRLLPHNVHSUUOE-NSHDSACASA-N -1 1 334.778 3.650 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1 ZINC000172901582 1037734107 /nfs/dbraw/zinc/73/41/07/1037734107.db2.gz SIPHONNFCJDAEJ-UHFFFAOYSA-N -1 1 345.342 3.601 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000573808126 1037755383 /nfs/dbraw/zinc/75/53/83/1037755383.db2.gz GIICINPWUNWFQD-OAHLLOKOSA-N -1 1 345.395 3.641 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC000180271303 1038111952 /nfs/dbraw/zinc/11/19/52/1038111952.db2.gz JIXSMMSYIZDKSW-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM CC[C@H](c1nnc([N-]C(=O)c2cc(C)on2)s1)c1ccccc1 ZINC000106720211 1038193056 /nfs/dbraw/zinc/19/30/56/1038193056.db2.gz CZQJUOIXPVKOEG-LBPRGKRZSA-N -1 1 328.397 3.629 20 0 EHADMM CSc1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000538516388 1038354631 /nfs/dbraw/zinc/35/46/31/1038354631.db2.gz YDXCBYSIVCDKCG-LLVKDONJSA-N -1 1 349.481 3.640 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCCc2ccccc21 ZINC000339138688 1038431560 /nfs/dbraw/zinc/43/15/60/1038431560.db2.gz YXJZIJOVOOMDEB-QGZVFWFLSA-N -1 1 333.391 3.841 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(OC2CCC2)CC1 ZINC000416259157 1038441147 /nfs/dbraw/zinc/44/11/47/1038441147.db2.gz OJBKJYKOGFQIRH-UHFFFAOYSA-N -1 1 325.408 3.719 20 0 EHADMM CC[C@H](C)[C@H](C)C(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000183456699 1038711612 /nfs/dbraw/zinc/71/16/12/1038711612.db2.gz JPDVAUSEJONMDU-RYUDHWBXSA-N -1 1 345.468 3.562 20 0 EHADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1 ZINC000485397474 1039007577 /nfs/dbraw/zinc/00/75/77/1039007577.db2.gz WQLOVMXWXGNIJX-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccc(Br)cc2)n1 ZINC000488286901 1039045476 /nfs/dbraw/zinc/04/54/76/1039045476.db2.gz BDPDEYOHGGSEQM-MRVPVSSYSA-N -1 1 341.230 3.812 20 0 EHADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000552197828 1039051651 /nfs/dbraw/zinc/05/16/51/1039051651.db2.gz WLOWYYVJVTUBDC-NQYJQULFSA-N -1 1 348.624 3.560 20 0 EHADMM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000488371152 1039126866 /nfs/dbraw/zinc/12/68/66/1039126866.db2.gz XHTGBTZCHDCOAF-ZJUUUORDSA-N -1 1 338.333 3.752 20 0 EHADMM O=c1cc(/C=C/c2ccc(-c3ccc(Cl)cc3)o2)nc2nc[n-]n21 ZINC000554391867 1039300223 /nfs/dbraw/zinc/30/02/23/1039300223.db2.gz UQSSJNIRAHDLHQ-AATRIKPKSA-N -1 1 338.754 3.501 20 0 EHADMM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000509753171 1039319246 /nfs/dbraw/zinc/31/92/46/1039319246.db2.gz XFOHTJXTRHUKMG-UHFFFAOYSA-N -1 1 339.407 3.529 20 0 EHADMM Cc1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@@H](C)C3)cs2)cc1 ZINC000323594747 1039359657 /nfs/dbraw/zinc/35/96/57/1039359657.db2.gz ADNOIBFSXWIMNO-BBRMVZONSA-N -1 1 330.453 3.661 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 ZINC000668559589 1039628706 /nfs/dbraw/zinc/62/87/06/1039628706.db2.gz KISHXMAODGSGDQ-CYBMUJFWSA-N -1 1 340.448 3.743 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)c1 ZINC000478696707 1039655416 /nfs/dbraw/zinc/65/54/16/1039655416.db2.gz WCJRPQPRALVYBX-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM CC[C@H](CC(=O)[N-]OCc1cccc(C)n1)c1ccc(OC)cc1 ZINC000898934487 1039740240 /nfs/dbraw/zinc/74/02/40/1039740240.db2.gz OXJUYZPDPSNJQH-OAHLLOKOSA-N -1 1 328.412 3.530 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCCN(c2ccccc2Cl)CC1 ZINC000554867649 1039855152 /nfs/dbraw/zinc/85/51/52/1039855152.db2.gz 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ZINC000479563800 1040388758 /nfs/dbraw/zinc/38/87/58/1040388758.db2.gz DFBVQHGEDYCTAS-UHFFFAOYSA-N -1 1 337.416 3.933 20 0 EHADMM CCCCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@H]1CCC[C@@H](C)C1 ZINC000908442281 1040456403 /nfs/dbraw/zinc/45/64/03/1040456403.db2.gz YYXOJZRXVOAUSU-HIFRSBDPSA-N -1 1 331.460 3.881 20 0 EHADMM Cc1ncc(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)s1 ZINC000041835349 1040476342 /nfs/dbraw/zinc/47/63/42/1040476342.db2.gz AGLYUTBAXYOQHT-AWEZNQCLSA-N -1 1 345.251 3.848 20 0 EHADMM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000553911876 1040584354 /nfs/dbraw/zinc/58/43/54/1040584354.db2.gz SOLFKWAEQWJOND-UHFFFAOYSA-N -1 1 348.173 3.613 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC2(F)CCC2)c1Cl ZINC000553913121 1040584544 /nfs/dbraw/zinc/58/45/44/1040584544.db2.gz ADZSPYHEAGALGD-UHFFFAOYSA-N -1 1 340.247 3.862 20 0 EHADMM COc1c(F)cc(F)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000486960072 1040604076 /nfs/dbraw/zinc/60/40/76/1040604076.db2.gz UDDMPRIBVCDKPS-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM Cc1nc(C2CC2)oc1C(=O)Nc1cccc([O-])c1Br ZINC000908709960 1040605826 /nfs/dbraw/zinc/60/58/26/1040605826.db2.gz OKFZFFOOXUAGHF-UHFFFAOYSA-N -1 1 337.173 3.581 20 0 EHADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc([O-])c1Br ZINC000908712155 1040606870 /nfs/dbraw/zinc/60/68/70/1040606870.db2.gz AMGWOCDBDTUMKY-GXFFZTMASA-N -1 1 342.233 3.689 20 0 EHADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908713400 1040607257 /nfs/dbraw/zinc/60/72/57/1040607257.db2.gz RUFRAKYCHLSODM-WDEREUQCSA-N -1 1 342.233 3.689 20 0 EHADMM C[C@@H]1CCN(Cc2ccc(Cl)cc2Br)C[C@@H]1C(=O)[O-] ZINC000576039625 1040793854 /nfs/dbraw/zinc/79/38/54/1040793854.db2.gz FSYJYKMMFGSLPR-SKDRFNHKSA-N -1 1 346.652 3.645 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(OC2CCCC2)nc1 ZINC000909985206 1041094957 /nfs/dbraw/zinc/09/49/57/1041094957.db2.gz GGCYKSCDCYQOCQ-UHFFFAOYSA-N -1 1 334.322 3.639 20 0 EHADMM CCc1nocc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000668806565 1041154162 /nfs/dbraw/zinc/15/41/62/1041154162.db2.gz HWSNZHMBAGABDQ-UHFFFAOYSA-N -1 1 328.397 3.625 20 0 EHADMM COC(=O)c1cc([C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)oc1C ZINC000292344486 1041591598 /nfs/dbraw/zinc/59/15/98/1041591598.db2.gz DPPIYCWNEGCVCU-SSDOTTSWSA-N -1 1 344.339 3.661 20 0 EHADMM CCOc1cc(C(=O)[N-]c2nc(/C=C/c3ccccc3)cs2)on1 ZINC001126040513 1041975247 /nfs/dbraw/zinc/97/52/47/1041975247.db2.gz BOWPJMDFNOUTFW-CMDGGOBGSA-N -1 1 341.392 3.953 20 0 EHADMM C[C@H](CN(C)C(=O)c1ccc2ccccc2c1[O-])c1nccs1 ZINC000184975223 1042622835 /nfs/dbraw/zinc/62/28/35/1042622835.db2.gz KNTMQKFLYWKPGQ-GFCCVEGCSA-N -1 1 326.421 3.878 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCc2c1cccc2C(F)(F)F ZINC000185043658 1042624369 /nfs/dbraw/zinc/62/43/69/1042624369.db2.gz FTSRBDBLZYDJLC-UHFFFAOYSA-N -1 1 325.261 3.753 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000185571825 1042636071 /nfs/dbraw/zinc/63/60/71/1042636071.db2.gz YDYWWXDVPUGYIP-INIZCTEOSA-N -1 1 345.826 3.519 20 0 EHADMM CCCC(O)(CCC)CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186825149 1042711920 /nfs/dbraw/zinc/71/19/20/1042711920.db2.gz WTDCSRWUZCJREK-UHFFFAOYSA-N -1 1 343.851 3.505 20 0 EHADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccsc1 ZINC000235228715 1043700327 /nfs/dbraw/zinc/70/03/27/1043700327.db2.gz XQXIRDVAWHUILT-MRVPVSSYSA-N -1 1 326.215 3.707 20 0 EHADMM Cc1ccc(F)cc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000187080721 1043784117 /nfs/dbraw/zinc/78/41/17/1043784117.db2.gz NSIWZKOIKLETRL-UHFFFAOYSA-N -1 1 334.416 3.804 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c(C)n1 ZINC000337786303 1044451496 /nfs/dbraw/zinc/45/14/96/1044451496.db2.gz XIYFBNMXZYVFLH-UHFFFAOYSA-N -1 1 344.358 3.826 20 0 EHADMM COC(=O)c1cnc(S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)[n-]1 ZINC000432674782 1044731616 /nfs/dbraw/zinc/73/16/16/1044731616.db2.gz DVNSEVKFHKBKRI-NSHDSACASA-N -1 1 332.425 3.683 20 0 EHADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)n1 ZINC000432674782 1044731635 /nfs/dbraw/zinc/73/16/35/1044731635.db2.gz DVNSEVKFHKBKRI-NSHDSACASA-N -1 1 332.425 3.683 20 0 EHADMM CCS[C@@H]1CCCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153811887 1125663413 /nfs/dbraw/zinc/66/34/13/1125663413.db2.gz NHXXFZDKALWFOF-GFCCVEGCSA-N -1 1 343.876 3.802 20 0 EHADMM CCc1ccc(-c2csc([N-]C(=O)c3cc(OC)no3)n2)cc1 ZINC000154424859 1125718590 /nfs/dbraw/zinc/71/85/90/1125718590.db2.gz DHMHZJHDWHDAFI-UHFFFAOYSA-N -1 1 329.381 3.621 20 0 EHADMM CC[C@@H](CNC(=O)c1ccc([O-])cc1F)Oc1ccccc1Cl ZINC000154966049 1125770237 /nfs/dbraw/zinc/77/02/37/1125770237.db2.gz VWCGUKRTCPRJOU-LBPRGKRZSA-N -1 1 337.778 3.772 20 0 EHADMM C[C@H](NCc1cscn1)c1cc(Br)cc(F)c1[O-] ZINC000185246567 1126836547 /nfs/dbraw/zinc/83/65/47/1126836547.db2.gz CQHPTLFLCOXREZ-ZETCQYMHSA-N -1 1 331.210 3.601 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1F ZINC000180017896 1127110854 /nfs/dbraw/zinc/11/08/54/1127110854.db2.gz UFUSEWZROYRKIB-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1Cl ZINC000181201321 1127269666 /nfs/dbraw/zinc/26/96/66/1127269666.db2.gz PKQYECHDXNOBNN-UHFFFAOYSA-N -1 1 337.828 3.960 20 0 EHADMM Cc1ccc(-c2nnc([N-]C(=O)c3cc(C4CC4)on3)s2)c(C)c1 ZINC000065122750 1128185630 /nfs/dbraw/zinc/18/56/30/1128185630.db2.gz VQZYIXUESSUCSF-UHFFFAOYSA-N -1 1 340.408 3.940 20 0 EHADMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000065738149 1128200143 /nfs/dbraw/zinc/20/01/43/1128200143.db2.gz FAPDRVCKUXFOEV-VIFPVBQESA-N -1 1 341.741 3.521 20 0 EHADMM COCCOc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1F ZINC000065753511 1128200606 /nfs/dbraw/zinc/20/06/06/1128200606.db2.gz DFAFUGAPSUYPLZ-UHFFFAOYSA-N -1 1 347.386 3.932 20 0 EHADMM C[C@@H]1CCN(C(=O)c2nnc3ccccc3c2O)CC12CCCCC2 ZINC000765787119 1128367055 /nfs/dbraw/zinc/36/70/55/1128367055.db2.gz VXEUFQFTPPWYHY-CQSZACIVSA-N -1 1 339.439 3.768 20 0 EHADMM CC(C)(C)CCOc1cnccc1CNCc1ccc(C(=O)[O-])s1 ZINC000903687875 1128573133 /nfs/dbraw/zinc/57/31/33/1128573133.db2.gz MPWGTBVAWQOHFF-UHFFFAOYSA-N -1 1 348.468 3.946 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(-n2cnc3ccccc32)nc1 ZINC001648850775 1120054382 /nfs/dbraw/zinc/05/43/82/1120054382.db2.gz LLHHXSMCXSQUGZ-UHFFFAOYSA-N -1 1 348.337 3.518 20 0 EHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC(Cc2ccco2)C1 ZINC001648919774 1120184574 /nfs/dbraw/zinc/18/45/74/1120184574.db2.gz YBIZQISNWQBABM-UHFFFAOYSA-N -1 1 342.782 3.502 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3csc(C(C)C)n3)[nH][n-]2)s1 ZINC000338762453 1128897729 /nfs/dbraw/zinc/89/77/29/1128897729.db2.gz NKCGREZRYQKVMR-UHFFFAOYSA-N -1 1 332.454 3.701 20 0 EHADMM C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[O-])C[C@@H](C)C1 ZINC000251709983 1120328872 /nfs/dbraw/zinc/32/88/72/1120328872.db2.gz BOSYINHFRGUHNR-IAZYJMLFSA-N -1 1 326.234 3.709 20 0 EHADMM CCOc1cc(C(=O)NC2(Cc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000186261338 1120451593 /nfs/dbraw/zinc/45/15/93/1120451593.db2.gz UFJISBILFUOWBS-UHFFFAOYSA-N -1 1 345.826 3.949 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(CC(F)(F)F)cc1 ZINC000189224609 1120563845 /nfs/dbraw/zinc/56/38/45/1120563845.db2.gz LOWATBDJNZSNNT-UHFFFAOYSA-N -1 1 333.306 3.731 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000195448914 1120784882 /nfs/dbraw/zinc/78/48/82/1120784882.db2.gz LPHGYHHNBOVYPY-UHFFFAOYSA-N -1 1 329.425 3.726 20 0 EHADMM O=C([N-][C@H]1COc2ccc(Cl)cc21)C(F)(F)c1ccc(F)cc1 ZINC000762379334 1121271979 /nfs/dbraw/zinc/27/19/79/1121271979.db2.gz SVPIAZFWGDQBDY-ZDUSSCGKSA-N -1 1 341.716 3.821 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](C)COc2ccccc2)cc(Cl)c1[O-] ZINC000762582467 1121365376 /nfs/dbraw/zinc/36/53/76/1121365376.db2.gz NXUFVZMVFGWULF-LBPRGKRZSA-N -1 1 349.814 3.642 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000316253644 1121531523 /nfs/dbraw/zinc/53/15/23/1121531523.db2.gz DFSOUSASEXNFAI-UHFFFAOYSA-N -1 1 331.315 3.694 20 0 EHADMM COC(=O)c1c(F)cc(F)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489734 1128994865 /nfs/dbraw/zinc/99/48/65/1128994865.db2.gz JAZRQOXOLNQGHE-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cncc(-c2ccccc2)c1 ZINC000763190776 1121825623 /nfs/dbraw/zinc/82/56/23/1121825623.db2.gz BTVOGALJQQZKCV-UHFFFAOYSA-N -1 1 325.755 3.755 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(OC2CCCCC2)CC1 ZINC000123377618 1122115536 /nfs/dbraw/zinc/11/55/36/1122115536.db2.gz QXYVQZAAIMCQNN-UHFFFAOYSA-N -1 1 337.847 4.000 20 0 EHADMM CC(C)c1cc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)no1 ZINC000496615971 1122134549 /nfs/dbraw/zinc/13/45/49/1122134549.db2.gz SXTOCMFMNSEHLM-UHFFFAOYSA-N -1 1 336.804 3.577 20 0 EHADMM COc1ccc(C(=O)Nc2cc(Br)ccc2C)c([O-])c1 ZINC000037415516 1122228345 /nfs/dbraw/zinc/22/83/45/1122228345.db2.gz JYHWNXZOGFEBKP-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM CC[C@H]1CCCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000124672731 1122292416 /nfs/dbraw/zinc/29/24/16/1122292416.db2.gz JPLXIUDBCPZTFM-LBPRGKRZSA-N -1 1 326.234 3.950 20 0 EHADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)n[nH]1 ZINC000126772522 1122425062 /nfs/dbraw/zinc/42/50/62/1122425062.db2.gz IAUHNGFVGABANG-UHFFFAOYSA-N -1 1 333.413 3.545 20 0 EHADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)n1 ZINC000126801945 1122434672 /nfs/dbraw/zinc/43/46/72/1122434672.db2.gz NHAUESGBHWRKEZ-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2)o1 ZINC000066814563 1122485227 /nfs/dbraw/zinc/48/52/27/1122485227.db2.gz ABOWHVNQGSNEGA-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1[n-]n(-c2ncnc3scc(-c4ccc(C)cc4)c32)c(=O)c1F ZINC000917347845 1122583753 /nfs/dbraw/zinc/58/37/53/1122583753.db2.gz MKWDJGNAIDVORZ-AWEZNQCLSA-N -1 1 340.383 3.727 20 0 EHADMM CCc1ccc([C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(C)C)cc1 ZINC000497735593 1122650083 /nfs/dbraw/zinc/65/00/83/1122650083.db2.gz IHVVHKFRRNIUBO-GOSISDBHSA-N -1 1 349.434 3.613 20 0 EHADMM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(F)c(F)cc1F ZINC000129157370 1122748903 /nfs/dbraw/zinc/74/89/03/1122748903.db2.gz VPVIYCHXJVEKLD-UHFFFAOYSA-N -1 1 335.310 3.875 20 0 EHADMM CCNC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000130629819 1122977344 /nfs/dbraw/zinc/97/73/44/1122977344.db2.gz GSMPGRISKBFUNO-UHFFFAOYSA-N -1 1 348.402 3.856 20 0 EHADMM C[C@]1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC=CCC1 ZINC000649194387 1123037927 /nfs/dbraw/zinc/03/79/27/1123037927.db2.gz OIATXEWIINKISO-FQEVSTJZSA-N -1 1 327.424 3.560 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(F)cn1 ZINC000556846389 1123148225 /nfs/dbraw/zinc/14/82/25/1123148225.db2.gz YCNXCUUXIWZASZ-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM Cn1cnc(-c2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc2)n1 ZINC000131874177 1123187265 /nfs/dbraw/zinc/18/72/65/1123187265.db2.gz UKXXITPKKMSFHP-UHFFFAOYSA-N -1 1 344.374 3.593 20 0 EHADMM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1cc2ccccc2cc1[O-] ZINC000920082626 1123281813 /nfs/dbraw/zinc/28/18/13/1123281813.db2.gz PXQBODDQNNECID-UHFFFAOYSA-N -1 1 345.358 3.689 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc2n[nH]cc21 ZINC000499270629 1123324005 /nfs/dbraw/zinc/32/40/05/1123324005.db2.gz FZKPRHFAALGUHM-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM CS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000078296820 1129128209 /nfs/dbraw/zinc/12/82/09/1129128209.db2.gz XDAZMXOOVICIOM-HUUCEWRRSA-N -1 1 344.484 3.535 20 0 EHADMM COc1cc(C(=O)N(Cc2cccnc2)C(C)C)cc(Cl)c1[O-] ZINC000134967208 1123570014 /nfs/dbraw/zinc/57/00/14/1123570014.db2.gz VBKBUSUPNANWDJ-UHFFFAOYSA-N -1 1 334.803 3.500 20 0 EHADMM COc1cc(C(=O)NC[C@@H](c2cccnc2)C(C)C)cc(Cl)c1[O-] ZINC000135166984 1123588597 /nfs/dbraw/zinc/58/85/97/1123588597.db2.gz XZPXYIPPGJERTA-CQSZACIVSA-N -1 1 348.830 3.619 20 0 EHADMM CC(=O)N1CCc2cc(NC(=O)c3ccc4ccccc4c3[O-])ccc21 ZINC000078358303 1123623734 /nfs/dbraw/zinc/62/37/34/1123623734.db2.gz MRGADDZUOZSHAV-UHFFFAOYSA-N -1 1 346.386 3.707 20 0 EHADMM COc1ccc(-c2nnc([N-]C(=O)c3ccc(Cl)o3)s2)cc1 ZINC000136337162 1123687767 /nfs/dbraw/zinc/68/77/67/1123687767.db2.gz GYCNLIMYMJZIED-UHFFFAOYSA-N -1 1 335.772 3.712 20 0 EHADMM Cc1ccc([C@H]2CCCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000825172689 1131255523 /nfs/dbraw/zinc/25/55/23/1131255523.db2.gz HUGFPORSIHTTPS-QGZVFWFLSA-N -1 1 337.423 3.735 20 0 EHADMM CC(C)Oc1cccc(Nc2nc[n-]c(=O)c2Br)c1F ZINC001212319802 1124630764 /nfs/dbraw/zinc/63/07/64/1124630764.db2.gz TURQAFIHFWTILV-UHFFFAOYSA-N -1 1 342.168 3.615 20 0 EHADMM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1c([O-])cccc1Cl ZINC000734876516 1131286393 /nfs/dbraw/zinc/28/63/93/1131286393.db2.gz CZAFCWUOTYSWOY-CYBMUJFWSA-N -1 1 348.805 3.584 20 0 EHADMM CCOc1cc(C(=O)N2CCC[C@@H](CCF)C2)cc(Cl)c1[O-] ZINC000618685811 1125156013 /nfs/dbraw/zinc/15/60/13/1125156013.db2.gz WXGAVZDJOONLEI-NSHDSACASA-N -1 1 329.799 3.656 20 0 EHADMM CCSCCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000499694961 1129368713 /nfs/dbraw/zinc/36/87/13/1129368713.db2.gz WXGRWKORIASTLG-UHFFFAOYSA-N -1 1 346.276 3.554 20 0 EHADMM CC(=O)c1ccccc1OCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631025101 1129454294 /nfs/dbraw/zinc/45/42/94/1129454294.db2.gz PGKWLENKRSPBEO-UHFFFAOYSA-N -1 1 344.436 3.742 20 0 EHADMM Cc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)o1 ZINC000673483758 1129457043 /nfs/dbraw/zinc/45/70/43/1129457043.db2.gz NZDVFHSEBPOTFW-UHFFFAOYSA-N -1 1 330.565 3.962 20 0 EHADMM CCCCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H](C)CCC ZINC000118750722 1129521792 /nfs/dbraw/zinc/52/17/92/1129521792.db2.gz HHZJGGXAURHKMO-CQSZACIVSA-N -1 1 329.444 3.744 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c(Cl)cc1F ZINC000673586831 1129589991 /nfs/dbraw/zinc/58/99/91/1129589991.db2.gz DIFFLKUAHBTWRW-UHFFFAOYSA-N -1 1 341.782 3.644 20 0 EHADMM O=C(Nc1ccncc1[O-])c1sc2cccc(Cl)c2c1Cl ZINC000673934074 1129909309 /nfs/dbraw/zinc/90/93/09/1129909309.db2.gz HAWVEIFLOKEBCR-UHFFFAOYSA-N -1 1 339.203 3.983 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000673981311 1129932798 /nfs/dbraw/zinc/93/27/98/1129932798.db2.gz BWLQOHWPEWTJGD-UHFFFAOYSA-N -1 1 326.421 3.906 20 0 EHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000171013921 1129997607 /nfs/dbraw/zinc/99/76/07/1129997607.db2.gz KKVIOJJHMORZSS-LLVKDONJSA-N -1 1 325.817 3.848 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cccc2cccnc21 ZINC000172197227 1130114867 /nfs/dbraw/zinc/11/48/67/1130114867.db2.gz CUQDNHCCOVWGAJ-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM CCC[C@@H](CC)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001128871625 1130220940 /nfs/dbraw/zinc/22/09/40/1130220940.db2.gz CNZYDEADFYHWEK-CYBMUJFWSA-N -1 1 344.377 3.938 20 0 EHADMM O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(F)c(Cl)c1 ZINC000675282560 1130303013 /nfs/dbraw/zinc/30/30/13/1130303013.db2.gz AOBBZNNEVRRNDN-UHFFFAOYSA-N -1 1 347.770 3.628 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c1 ZINC000675439830 1130375071 /nfs/dbraw/zinc/37/50/71/1130375071.db2.gz IJVUTTPITQVNED-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OCc2cccnc2)cc1 ZINC000676055751 1130520530 /nfs/dbraw/zinc/52/05/30/1130520530.db2.gz MOQXOZYVQQXCNA-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1F ZINC000025675610 1130640777 /nfs/dbraw/zinc/64/07/77/1130640777.db2.gz BVAMYXPNUHSFMH-INIZCTEOSA-N -1 1 341.354 3.534 20 0 EHADMM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360240 1130703120 /nfs/dbraw/zinc/70/31/20/1130703120.db2.gz DDOUKVOYEYSEMF-DTWKUNHWSA-N -1 1 348.226 3.549 20 0 EHADMM O=C(OCc1nnsc1Cl)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361431 1130703574 /nfs/dbraw/zinc/70/35/74/1130703574.db2.gz ADYFECGXXWADNA-UHFFFAOYSA-N -1 1 339.587 3.561 20 0 EHADMM CN(Cc1ccc(F)cc1Cl)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000730432300 1130711000 /nfs/dbraw/zinc/71/10/00/1130711000.db2.gz CERPQIJJICTAFQ-UHFFFAOYSA-N -1 1 347.773 3.923 20 0 EHADMM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)CC2 ZINC000828197365 1131426281 /nfs/dbraw/zinc/42/62/81/1131426281.db2.gz FPJDWMHTPRCZKO-QGZVFWFLSA-N -1 1 337.423 3.600 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3ccc4ncsc4c3)no2)[n-]1 ZINC001212689729 1131901783 /nfs/dbraw/zinc/90/17/83/1131901783.db2.gz OPHJNLDCGUGCMA-UHFFFAOYSA-N -1 1 337.286 3.755 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccc4ncsc4c3)no2)n1 ZINC001212689729 1131901785 /nfs/dbraw/zinc/90/17/85/1131901785.db2.gz OPHJNLDCGUGCMA-UHFFFAOYSA-N -1 1 337.286 3.755 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c[nH]cc2-c2ccccc2)c1 ZINC000744748598 1132142849 /nfs/dbraw/zinc/14/28/49/1132142849.db2.gz AYFMXNZQUDMOCC-UHFFFAOYSA-N -1 1 349.386 3.989 20 0 EHADMM Cc1ccc(-c2cnc(COC(=O)c3c([O-])cc(F)cc3F)o2)cc1 ZINC000744879832 1132163910 /nfs/dbraw/zinc/16/39/10/1132163910.db2.gz IABOQRVVNXCKQU-UHFFFAOYSA-N -1 1 345.301 3.991 20 0 EHADMM O=C(OCc1ncc(-c2ccccc2F)o1)c1c([O-])cc(F)cc1F ZINC000744881098 1132163947 /nfs/dbraw/zinc/16/39/47/1132163947.db2.gz TWYGXVHLEJZEFF-UHFFFAOYSA-N -1 1 349.264 3.822 20 0 EHADMM CS(=O)(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cc1 ZINC001173944862 1132192150 /nfs/dbraw/zinc/19/21/50/1132192150.db2.gz WNPUZGIGDYRFAJ-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM O=C(c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1)N1CCCC1 ZINC001174070573 1132233297 /nfs/dbraw/zinc/23/32/97/1132233297.db2.gz KHVTVUUYJPKQLY-UHFFFAOYSA-N -1 1 348.406 3.558 20 0 EHADMM CC(C)c1nnc([N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)o1 ZINC001174158636 1132259496 /nfs/dbraw/zinc/25/94/96/1132259496.db2.gz MWEXGGNDEUEFJI-UHFFFAOYSA-N -1 1 328.416 3.809 20 0 EHADMM CCCN(CC(F)(F)F)C(=O)c1ccc(Br)cc1[O-] ZINC000044491289 1132453803 /nfs/dbraw/zinc/45/38/03/1132453803.db2.gz HHZJGIZVKOPISJ-UHFFFAOYSA-N -1 1 340.139 3.569 20 0 EHADMM O=C(N[C@H](CF)c1ccc(F)cc1)c1c([O-])cnc2c(F)cccc21 ZINC001174772554 1132461502 /nfs/dbraw/zinc/46/15/02/1132461502.db2.gz WQZRETYEXGRNEL-CQSZACIVSA-N -1 1 346.308 3.659 20 0 EHADMM CCOC(=O)c1nnsc1[N-]c1cc(F)cc(C(F)(F)F)c1 ZINC001175062299 1132539515 /nfs/dbraw/zinc/53/95/15/1132539515.db2.gz CWWPBSMSDYZYQQ-UHFFFAOYSA-N -1 1 335.282 3.616 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cc1N ZINC001175102379 1132553758 /nfs/dbraw/zinc/55/37/58/1132553758.db2.gz AQAHFLJXKJQUMC-UHFFFAOYSA-N -1 1 348.321 3.536 20 0 EHADMM [O-]c1c(Br)c(F)ccc1Nc1cc(CO)ccc1F ZINC001175132761 1132576679 /nfs/dbraw/zinc/57/66/79/1132576679.db2.gz OYSYYUHOLDUSMT-UHFFFAOYSA-N -1 1 330.128 3.669 20 0 EHADMM Nc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(F)c2)c1 ZINC001175207066 1132585024 /nfs/dbraw/zinc/58/50/24/1132585024.db2.gz CXYHPTCFVSXESZ-UHFFFAOYSA-N -1 1 342.395 3.876 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc2ccccc21 ZINC001168915241 1132604944 /nfs/dbraw/zinc/60/49/44/1132604944.db2.gz RSBPMTABHCZKNR-UHFFFAOYSA-N -1 1 329.359 3.983 20 0 EHADMM Cc1ccc(CCC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)s1 ZINC001175581865 1132715207 /nfs/dbraw/zinc/71/52/07/1132715207.db2.gz XZRUNQAMYQFRDX-UHFFFAOYSA-N -1 1 327.409 3.519 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cnn(C3CCCCC3)c2)c1 ZINC001175879111 1132779417 /nfs/dbraw/zinc/77/94/17/1132779417.db2.gz XWPGYSUPVOABCX-UHFFFAOYSA-N -1 1 349.456 3.631 20 0 EHADMM CC(C)(C)OC(=O)N1CCC[C@H]1c1cc([N-]c2cscn2)on1 ZINC001175941756 1132791993 /nfs/dbraw/zinc/79/19/93/1132791993.db2.gz XFJXFHZRKJNCHO-NSHDSACASA-N -1 1 336.417 3.947 20 0 EHADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000766761384 1132793988 /nfs/dbraw/zinc/79/39/88/1132793988.db2.gz FCYSTWWHTOIGRW-MRVPVSSYSA-N -1 1 329.240 3.809 20 0 EHADMM COc1ccc(C2CC2)cc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC001176390404 1132916944 /nfs/dbraw/zinc/91/69/44/1132916944.db2.gz PKYGLYAVIUMYAM-UHFFFAOYSA-N -1 1 331.799 3.862 20 0 EHADMM CCc1cc(Nc2cc(S(C)(=O)=O)ccc2[O-])ccc1Cl ZINC001176393182 1132917089 /nfs/dbraw/zinc/91/70/89/1132917089.db2.gz JPVNYRQPGDQQLO-UHFFFAOYSA-N -1 1 325.817 3.755 20 0 EHADMM Cc1ccccc1-c1noc([C@H](C)OC(=O)c2ccc([O-])cc2F)n1 ZINC000773572271 1132921428 /nfs/dbraw/zinc/92/14/28/1132921428.db2.gz VZWBBVMMYRDNEW-NSHDSACASA-N -1 1 342.326 3.808 20 0 EHADMM COc1ccc(-c2nc(COC(=O)c3ccc([O-])cc3F)co2)cc1 ZINC000773580158 1132939588 /nfs/dbraw/zinc/93/95/88/1132939588.db2.gz IGHDOBKXBCHLNP-UHFFFAOYSA-N -1 1 343.310 3.552 20 0 EHADMM COc1ccc(-c2cnc(COC(=O)c3ccc([O-])cc3F)o2)cc1 ZINC000773582140 1132959404 /nfs/dbraw/zinc/95/94/04/1132959404.db2.gz LKJAMYDOTSTDKB-UHFFFAOYSA-N -1 1 343.310 3.552 20 0 EHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H](O)c1ccc(F)cc1 ZINC000767157583 1132960984 /nfs/dbraw/zinc/96/09/84/1132960984.db2.gz NLCXXRCGAPFOQJ-BUXKBTBVSA-N -1 1 339.366 3.536 20 0 EHADMM CCOC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)c(F)c1 ZINC001176669898 1132978170 /nfs/dbraw/zinc/97/81/70/1132978170.db2.gz OLCFENFVECQCQD-UHFFFAOYSA-N -1 1 329.249 3.869 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccnn2Cc2cccc(F)c2)c1F ZINC001176664940 1132978256 /nfs/dbraw/zinc/97/82/56/1132978256.db2.gz ZKCFBLIZFJGYKZ-UHFFFAOYSA-N -1 1 337.276 3.937 20 0 EHADMM Cc1nc(Nc2c(F)cc(F)c([O-])c2F)c(N)cc1Br ZINC001176662931 1132986965 /nfs/dbraw/zinc/98/69/65/1132986965.db2.gz CWPHRDBISAAJPG-UHFFFAOYSA-N -1 1 348.122 3.601 20 0 EHADMM Cc1[nH]nc(NC(=O)c2ccc(C(C)C)cc2[O-])c1-c1cccnc1 ZINC001177467147 1133065595 /nfs/dbraw/zinc/06/55/95/1133065595.db2.gz VEUMDYYQSJUFGH-UHFFFAOYSA-N -1 1 336.395 3.861 20 0 EHADMM c1nn(CC2CC2)cc1[N-]c1nn2cc(-c3ccccc3)nc2s1 ZINC000742430208 1133067027 /nfs/dbraw/zinc/06/70/27/1133067027.db2.gz KHZVZJLTAKHDIG-UHFFFAOYSA-N -1 1 336.424 3.808 20 0 EHADMM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000767910707 1133070976 /nfs/dbraw/zinc/07/09/76/1133070976.db2.gz CCLUCQIHZBCELF-KRWDZBQOSA-N -1 1 329.371 3.690 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2(C)CCCC2)c([O-])c1 ZINC000769728015 1133336355 /nfs/dbraw/zinc/33/63/55/1133336355.db2.gz MWXPSXYHZSZMRE-UHFFFAOYSA-N -1 1 334.416 3.802 20 0 EHADMM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1c([O-])cccc1Cl ZINC000769749527 1133343102 /nfs/dbraw/zinc/34/31/02/1133343102.db2.gz PFSSKTVLWCBWQU-WBVHZDCISA-N -1 1 331.799 3.696 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000770039240 1133380927 /nfs/dbraw/zinc/38/09/27/1133380927.db2.gz RMDUPLAMEDTGLP-KZULUSFZSA-N -1 1 339.366 3.536 20 0 EHADMM O=C(Cc1ccc2nccnc2c1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001181023289 1133441377 /nfs/dbraw/zinc/44/13/77/1133441377.db2.gz JTOBKHNXOKJELJ-UHFFFAOYSA-N -1 1 347.296 3.535 20 0 EHADMM [O-]c1ccc(CNCc2ccsc2Br)c(F)c1F ZINC001181196281 1133465524 /nfs/dbraw/zinc/46/55/24/1133465524.db2.gz KPKKRENAECAJNT-UHFFFAOYSA-N -1 1 334.185 3.784 20 0 EHADMM [O-]c1ccc(-c2noc(COc3ccc4c(c3)CCC4)n2)c(F)c1 ZINC000771213751 1133528596 /nfs/dbraw/zinc/52/85/96/1133528596.db2.gz USEXIWNXJSHKJN-UHFFFAOYSA-N -1 1 326.327 3.649 20 0 EHADMM O=C(NCc1cc(F)ccc1F)c1c([O-])cnc2ccc(Cl)cc21 ZINC001182656347 1133716087 /nfs/dbraw/zinc/71/60/87/1133716087.db2.gz MVKKBJVZUUOAQC-UHFFFAOYSA-N -1 1 348.736 3.802 20 0 EHADMM CC(C)[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)[C@H]1C(C)C ZINC001183459263 1133809195 /nfs/dbraw/zinc/80/91/95/1133809195.db2.gz BPTWNWKDOZLNIU-WFASDCNBSA-N -1 1 340.261 3.907 20 0 EHADMM C[C@H](OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001183493437 1133816473 /nfs/dbraw/zinc/81/64/73/1133816473.db2.gz IMSSJEQTMNEQRH-NSHDSACASA-N -1 1 339.313 3.955 20 0 EHADMM COc1ccc(C(=O)[N-]C(=O)CSC2CCC(C)(C)CC2)cc1 ZINC000786749636 1133895256 /nfs/dbraw/zinc/89/52/56/1133895256.db2.gz RRTCOBMKJMADPF-UHFFFAOYSA-N -1 1 335.469 3.654 20 0 EHADMM C[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1Cl ZINC001184475192 1133945794 /nfs/dbraw/zinc/94/57/94/1133945794.db2.gz AWDVDQSZPBKGTF-LBPRGKRZSA-N -1 1 341.798 3.974 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1F ZINC001185187005 1134046130 /nfs/dbraw/zinc/04/61/30/1134046130.db2.gz ZPDJCFLLAAKXQA-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1c(F)cccc1F ZINC000774864066 1134081493 /nfs/dbraw/zinc/08/14/93/1134081493.db2.gz MDPWTWWTRWMEFI-SNVBAGLBSA-N -1 1 331.318 3.628 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2[C@@H](C)O)ccc1Cl ZINC001185529531 1134104093 /nfs/dbraw/zinc/10/40/93/1134104093.db2.gz GGAFBLOAJDZPNT-LLVKDONJSA-N -1 1 325.817 3.503 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)cc2scnc21 ZINC001185836066 1134139177 /nfs/dbraw/zinc/13/91/77/1134139177.db2.gz FXVNWPNWSJODEX-UHFFFAOYSA-N -1 1 336.413 3.853 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCCC2=O ZINC001185836027 1134139412 /nfs/dbraw/zinc/13/94/12/1134139412.db2.gz CYKDFNHPQJQVAK-UHFFFAOYSA-N -1 1 347.411 3.844 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1SC ZINC001185824891 1134142544 /nfs/dbraw/zinc/14/25/44/1134142544.db2.gz XPGHSECUCIOFTH-UHFFFAOYSA-N -1 1 341.429 3.665 20 0 EHADMM O=C(Nc1cc(-c2cccc(F)c2)ccn1)c1ccc([O-])c(F)c1 ZINC001186202758 1134181151 /nfs/dbraw/zinc/18/11/51/1134181151.db2.gz XCENDJYHWPSUAV-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM COc1ccc(OC(F)(F)F)cc1NC(=O)c1ccc([O-])cc1F ZINC001186328392 1134195966 /nfs/dbraw/zinc/19/59/66/1134195966.db2.gz AOAFSJMXVKBWGV-UHFFFAOYSA-N -1 1 345.248 3.691 20 0 EHADMM C[C@H](NC(=O)Nc1nc(Br)ccc1[O-])C1CCCCC1 ZINC001186363664 1134202642 /nfs/dbraw/zinc/20/26/42/1134202642.db2.gz KQOYRDWPYRDOBV-VIFPVBQESA-N -1 1 342.237 3.640 20 0 EHADMM COc1cccc(CC(=O)Nc2cccc(C(F)(F)F)c2[O-])c1C ZINC001186476348 1134219223 /nfs/dbraw/zinc/21/92/23/1134219223.db2.gz UAYRXORUBCUXTB-UHFFFAOYSA-N -1 1 339.313 3.909 20 0 EHADMM O=S(=O)([N-][C@@H](C1CCC1)C(F)(F)F)c1csc2ccccc21 ZINC001186524264 1134229188 /nfs/dbraw/zinc/22/91/88/1134229188.db2.gz ZFVGYFFAFCDVPH-ZDUSSCGKSA-N -1 1 349.399 3.911 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@H]1C[C@@H]1C(=O)c1ccccc1 ZINC001187226148 1134311490 /nfs/dbraw/zinc/31/14/90/1134311490.db2.gz SPHAFLQWFVCUGN-RYUDHWBXSA-N -1 1 349.308 3.869 20 0 EHADMM CCOC(=O)c1ccc(NC(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001187282572 1134319145 /nfs/dbraw/zinc/31/91/45/1134319145.db2.gz KLDZVRUQVFGNCA-UHFFFAOYSA-N -1 1 334.759 3.866 20 0 EHADMM O=C(NCc1ccco1)Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001188175528 1134436840 /nfs/dbraw/zinc/43/68/40/1134436840.db2.gz BBGAUJQOVGWNST-UHFFFAOYSA-N -1 1 334.681 3.979 20 0 EHADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000790646193 1134450729 /nfs/dbraw/zinc/45/07/29/1134450729.db2.gz KVVXJUWYGADGNJ-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM Cc1cc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)c2cc[nH]c2n1 ZINC001188572918 1134483280 /nfs/dbraw/zinc/48/32/80/1134483280.db2.gz WXHCHELTSLTPMF-UHFFFAOYSA-N -1 1 335.285 3.800 20 0 EHADMM CSc1nc(NC(=O)Nc2ccc3ccccc3c2)cc(=O)[n-]1 ZINC001188581033 1134483953 /nfs/dbraw/zinc/48/39/53/1134483953.db2.gz CSNSGHJLMXXXAA-UHFFFAOYSA-N -1 1 326.381 3.701 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])Nc1cc(F)cc2c1OCOC2 ZINC001188873407 1134514909 /nfs/dbraw/zinc/51/49/09/1134514909.db2.gz JWUZNZKRIQQEGI-UHFFFAOYSA-N -1 1 338.722 3.695 20 0 EHADMM O=S(=O)([N-]CCC1=CCCCCC1)c1ccc(F)c(F)c1F ZINC001189056243 1134537874 /nfs/dbraw/zinc/53/78/74/1134537874.db2.gz BEIKSNHJJGQNRH-UHFFFAOYSA-N -1 1 333.375 3.663 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cnc(OC)c3ccccc23)n1 ZINC001189174061 1134553674 /nfs/dbraw/zinc/55/36/74/1134553674.db2.gz PHAOSEMTQIJMGQ-UHFFFAOYSA-N -1 1 327.409 3.594 20 0 EHADMM Cc1c(CO)cccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189385978 1134578290 /nfs/dbraw/zinc/57/82/90/1134578290.db2.gz RLPNIZXDPKEZDP-UHFFFAOYSA-N -1 1 345.395 3.580 20 0 EHADMM Cc1cnc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(F)c1 ZINC001189356742 1134580141 /nfs/dbraw/zinc/58/01/41/1134580141.db2.gz TWYSCYHWLVRVEM-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM O=C(c1cc(Nc2ccc(F)c(F)c2[O-])ccc1F)N1CCCC1 ZINC001189360590 1134581600 /nfs/dbraw/zinc/58/16/00/1134581600.db2.gz XVRZJASZISSDLW-UHFFFAOYSA-N -1 1 336.313 3.789 20 0 EHADMM O=S(=O)([N-]c1cnc2cccc(O)c2c1)c1ccc(C2CC2)cc1 ZINC001190471723 1134705563 /nfs/dbraw/zinc/70/55/63/1134705563.db2.gz IPVFWSMOFFFFGU-UHFFFAOYSA-N -1 1 340.404 3.619 20 0 EHADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cn1 ZINC001190472477 1134705850 /nfs/dbraw/zinc/70/58/50/1134705850.db2.gz QZJBYBXYEANCDR-UHFFFAOYSA-N -1 1 332.425 3.547 20 0 EHADMM COc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500504 1134707168 /nfs/dbraw/zinc/70/71/68/1134707168.db2.gz SWYGLOMFZRBZHE-UHFFFAOYSA-N -1 1 339.363 3.652 20 0 EHADMM CC(C)(C)c1ccc2c(c1)CC[N@@H+](Cc1cc(=O)[nH]c(C3CC3)n1)C2 ZINC001190700048 1134734295 /nfs/dbraw/zinc/73/42/95/1134734295.db2.gz RNJJUZZVMHBANI-UHFFFAOYSA-N -1 1 337.467 3.915 20 0 EHADMM COc1cc(C(=O)N[C@H](c2ncccc2C)C2CC2)cc(Cl)c1[O-] ZINC001191155198 1134802633 /nfs/dbraw/zinc/80/26/33/1134802633.db2.gz CIPZVPJTXSHBSC-INIZCTEOSA-N -1 1 346.814 3.639 20 0 EHADMM COc1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)cc(Cl)c1[O-] ZINC001191157961 1134804480 /nfs/dbraw/zinc/80/44/80/1134804480.db2.gz IDPKTPBUUYNCKH-PQFRYHKHSA-N -1 1 337.847 3.855 20 0 EHADMM COc1cc(C(=O)Nc2cc3ccccc3n2C)cc(Cl)c1[O-] ZINC001191138331 1134809239 /nfs/dbraw/zinc/80/92/39/1134809239.db2.gz FAMHQQBAKNDBRT-UHFFFAOYSA-N -1 1 330.771 3.798 20 0 EHADMM O=S(=O)([N-][C@H](C1CCC1)C1CCCC1)c1ccc(F)c(F)c1F ZINC001191719792 1134905202 /nfs/dbraw/zinc/90/52/02/1134905202.db2.gz LUMSZHWMSSRPCF-INIZCTEOSA-N -1 1 347.402 3.741 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1 ZINC000793430172 1134927523 /nfs/dbraw/zinc/92/75/23/1134927523.db2.gz SOIKGQLLMQMOGP-UHFFFAOYSA-N -1 1 348.449 3.552 20 0 EHADMM COc1cc(F)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191897580 1134940300 /nfs/dbraw/zinc/94/03/00/1134940300.db2.gz CWZWJEMIBFCMJC-UHFFFAOYSA-N -1 1 347.770 3.569 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccc3)cc2)cnc1Cl ZINC001192519510 1135026862 /nfs/dbraw/zinc/02/68/62/1135026862.db2.gz JNMOGDHQHJUVHG-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM O=C(Nc1cncc(-c2ccccc2)c1)c1cc([O-])cc(F)c1F ZINC001192651187 1135039777 /nfs/dbraw/zinc/03/97/77/1135039777.db2.gz AIUPWMCDNWIIGW-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM O=C(c1cc([O-])cc(F)c1F)N1CCC2(C=Cc3ccccc32)CC1 ZINC001192661129 1135040721 /nfs/dbraw/zinc/04/07/21/1135040721.db2.gz KDLFYSRMGLHDOZ-UHFFFAOYSA-N -1 1 341.357 3.871 20 0 EHADMM O=C(c1cc([O-])cc(F)c1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC001192663238 1135047285 /nfs/dbraw/zinc/04/72/85/1135047285.db2.gz BXQZOAPCTDVOMP-CQSZACIVSA-N -1 1 331.362 3.765 20 0 EHADMM O=C(Nc1ccc(-c2cccnc2)cc1)c1cc([O-])cc(F)c1F ZINC001192665554 1135047715 /nfs/dbraw/zinc/04/77/15/1135047715.db2.gz NSQPZLKFOLQOLR-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM CC(C)(C)c1ncc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cn1 ZINC001194014486 1135214309 /nfs/dbraw/zinc/21/43/09/1135214309.db2.gz VMXMZQIYWDBTHV-UHFFFAOYSA-N -1 1 339.317 3.751 20 0 EHADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)[n-]1 ZINC000747227714 1135230035 /nfs/dbraw/zinc/23/00/35/1135230035.db2.gz ACXJOIRWBIDPCY-UHFFFAOYSA-N -1 1 335.212 3.608 20 0 EHADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)c[n-]1 ZINC000747227714 1135230040 /nfs/dbraw/zinc/23/00/40/1135230040.db2.gz ACXJOIRWBIDPCY-UHFFFAOYSA-N -1 1 335.212 3.608 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC001194639941 1135295233 /nfs/dbraw/zinc/29/52/33/1135295233.db2.gz WWUYPTLKYQYYMK-UHFFFAOYSA-N -1 1 327.352 3.706 20 0 EHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001195041322 1135358068 /nfs/dbraw/zinc/35/80/68/1135358068.db2.gz YDQCBVVVOAZYPK-UHFFFAOYSA-N -1 1 342.924 3.968 20 0 EHADMM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195276728 1135403606 /nfs/dbraw/zinc/40/36/06/1135403606.db2.gz VLVWECMXBMRJBO-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM O=C(c1cc([O-])cnc1Cl)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001195305505 1135410004 /nfs/dbraw/zinc/41/00/04/1135410004.db2.gz LEYBYRZFCJHEMT-INIZCTEOSA-N -1 1 341.798 3.899 20 0 EHADMM COc1cccc2c(NC(=O)c3cc([O-])cnc3Cl)cccc12 ZINC001195305874 1135410105 /nfs/dbraw/zinc/41/01/05/1135410105.db2.gz IZLTYWTZIOCGCZ-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM CCN(C)c1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC001195316422 1135412635 /nfs/dbraw/zinc/41/26/35/1135412635.db2.gz PGVYJWWOZOBBDF-UHFFFAOYSA-N -1 1 338.860 3.905 20 0 EHADMM Cc1ccccc1CC(C)(C)CNC(=O)c1cc([O-])cnc1Cl ZINC001195315214 1135412923 /nfs/dbraw/zinc/41/29/23/1135412923.db2.gz NPFMJBQIPHHPKU-UHFFFAOYSA-N -1 1 332.831 3.748 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(COC(C)C)c1 ZINC000747366258 1135511371 /nfs/dbraw/zinc/51/13/71/1135511371.db2.gz GHXTWRNWBZFOTB-UHFFFAOYSA-N -1 1 343.427 3.791 20 0 EHADMM CC(C)c1cnc(N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)s1 ZINC000808077734 1135613015 /nfs/dbraw/zinc/61/30/15/1135613015.db2.gz JUWSNNARSWCBCW-NHCYSSNCSA-N -1 1 349.422 3.548 20 0 EHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1 ZINC000808126722 1135615278 /nfs/dbraw/zinc/61/52/78/1135615278.db2.gz DMSMDOWXTFBWBN-GFCCVEGCSA-N -1 1 345.420 3.671 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)nc2)c(C)c1 ZINC001196848182 1135618383 /nfs/dbraw/zinc/61/83/83/1135618383.db2.gz GFJLKFSUDRYPMY-UHFFFAOYSA-N -1 1 334.441 3.631 20 0 EHADMM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])nn1C1CCC1 ZINC001197437396 1135691973 /nfs/dbraw/zinc/69/19/73/1135691973.db2.gz SXGVWHGCAUQPQS-UHFFFAOYSA-N -1 1 339.317 3.893 20 0 EHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc2c(s1)CCCC2 ZINC001197567584 1135707320 /nfs/dbraw/zinc/70/73/20/1135707320.db2.gz LISUIIDEQHRQQY-UHFFFAOYSA-N -1 1 343.420 3.847 20 0 EHADMM Cc1ccnc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001197715800 1135722671 /nfs/dbraw/zinc/72/26/71/1135722671.db2.gz IVCRLXBGCRDVKZ-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1nc2ccccc2s1 ZINC000809681251 1135871341 /nfs/dbraw/zinc/87/13/41/1135871341.db2.gz UPRDERXITVYSPA-QMMMGPOBSA-N -1 1 334.347 3.771 20 0 EHADMM CC(C)Oc1cnccc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001199159648 1135884233 /nfs/dbraw/zinc/88/42/33/1135884233.db2.gz KQKGDMAIJRJZSR-UHFFFAOYSA-N -1 1 340.301 3.846 20 0 EHADMM C/C=C/COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000105495903 1135950358 /nfs/dbraw/zinc/95/03/58/1135950358.db2.gz WWLYOFJJLJOAOE-ONEGZZNKSA-N -1 1 345.420 3.529 20 0 EHADMM O=S(=O)([N-]C1(CC2CC2)CC1)c1cc(Cl)c(Cl)cc1F ZINC001201285523 1136000939 /nfs/dbraw/zinc/00/09/39/1136000939.db2.gz HUMQMCVRLXKMGX-UHFFFAOYSA-N -1 1 338.231 3.744 20 0 EHADMM Cc1cc(F)ncc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201792200 1136062974 /nfs/dbraw/zinc/06/29/74/1136062974.db2.gz YIICCVQPUPFHPS-UHFFFAOYSA-N -1 1 336.432 3.872 20 0 EHADMM C[C@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1ncc(C(C)(C)C)o1 ZINC000747688570 1136065266 /nfs/dbraw/zinc/06/52/66/1136065266.db2.gz QQEASYWENNPOHQ-JTQLQIEISA-N -1 1 329.356 3.873 20 0 EHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ncoc1CCC(F)(F)F ZINC001133806097 1136341211 /nfs/dbraw/zinc/34/12/11/1136341211.db2.gz WACQOKKZMDNCDS-UHFFFAOYSA-N -1 1 331.294 3.842 20 0 EHADMM CC[C@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)C[C@H](C)O1 ZINC000111168213 1136518600 /nfs/dbraw/zinc/51/86/00/1136518600.db2.gz WNKHFFMDPAVSEB-ZFWWWQNUSA-N -1 1 338.521 3.520 20 0 EHADMM Cc1ccc(NCc2cccc([O-])c2Cl)cc1N1CCOC1=O ZINC000815127941 1136553716 /nfs/dbraw/zinc/55/37/16/1136553716.db2.gz KCXXPBJZVMFNHE-UHFFFAOYSA-N -1 1 332.787 3.923 20 0 EHADMM CC(C)Oc1ccc(NCc2cccc([O-])c2Cl)cc1C(N)=O ZINC000815139539 1136561071 /nfs/dbraw/zinc/56/10/71/1136561071.db2.gz JLXZWFNOIFKEKR-UHFFFAOYSA-N -1 1 334.803 3.544 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000776721370 1136597779 /nfs/dbraw/zinc/59/77/79/1136597779.db2.gz LRENWDITSZIOAI-UHFFFAOYSA-N -1 1 348.472 3.911 20 0 EHADMM Cc1nc(-c2ccc(CNC(=O)c3cccc([O-])c3F)s2)cs1 ZINC001135757198 1136767413 /nfs/dbraw/zinc/76/74/13/1136767413.db2.gz OXALPMPVTIUHFN-UHFFFAOYSA-N -1 1 348.424 3.955 20 0 EHADMM O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc2ccccc2c1[O-] ZINC000817061931 1136774240 /nfs/dbraw/zinc/77/42/40/1136774240.db2.gz JJESCDTUTKWJJM-QGZVFWFLSA-N -1 1 341.794 3.662 20 0 EHADMM CCCCN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@@H]1CCC[C@H](C)C1 ZINC000818803959 1136889975 /nfs/dbraw/zinc/88/99/75/1136889975.db2.gz YKJJMPDQUBMFGM-DZGCQCFKSA-N -1 1 346.500 3.839 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@@H](C)CCC1CCCCC1 ZINC000115445849 1136900809 /nfs/dbraw/zinc/90/08/09/1136900809.db2.gz PIKNHEWFAXVGJA-ZDUSSCGKSA-N -1 1 338.521 3.758 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(OCC(F)(F)F)n1 ZINC000339007486 1136910427 /nfs/dbraw/zinc/91/04/27/1136910427.db2.gz SUPSSZLDLJAQAY-UHFFFAOYSA-N -1 1 346.692 3.634 20 0 EHADMM CN(c1cc(Cl)[n-]c(=O)n1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000858545963 1136977840 /nfs/dbraw/zinc/97/78/40/1136977840.db2.gz LXICGSVIVHDECG-STQMWFEESA-N -1 1 333.819 3.518 20 0 EHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1onc2ccccc21 ZINC001136359251 1136999093 /nfs/dbraw/zinc/99/90/93/1136999093.db2.gz ZQRQZHFKGLMYMM-UHFFFAOYSA-N -1 1 328.397 3.979 20 0 EHADMM O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1ccc([O-])cn1 ZINC001136401470 1137013358 /nfs/dbraw/zinc/01/33/58/1137013358.db2.gz SECHVUHXCRTREZ-UHFFFAOYSA-N -1 1 328.387 3.558 20 0 EHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000821185119 1137018695 /nfs/dbraw/zinc/01/86/95/1137018695.db2.gz KOLIJACSPHVDGU-UHFFFAOYSA-N -1 1 340.763 3.730 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@]2(C)CCCS2)c1 ZINC000862388104 1137141871 /nfs/dbraw/zinc/14/18/71/1137141871.db2.gz VDYUVSQVTLKWQW-HNNXBMFYSA-N -1 1 346.418 3.871 20 0 EHADMM Cc1cc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)c(C)o1 ZINC000825011597 1137160244 /nfs/dbraw/zinc/16/02/44/1137160244.db2.gz PMHYRPHOVFAHAF-UHFFFAOYSA-N -1 1 340.345 3.995 20 0 EHADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000772887154 1137163325 /nfs/dbraw/zinc/16/33/25/1137163325.db2.gz ZMUBRWUJYZRDDR-APPDUMDISA-N -1 1 349.814 3.560 20 0 EHADMM [O-]c1cc(F)c(CN2Cc3ccc(Br)cc3C2)c(F)c1 ZINC001144542014 1137306922 /nfs/dbraw/zinc/30/69/22/1137306922.db2.gz PAMBDROQPLRZQG-UHFFFAOYSA-N -1 1 340.167 3.949 20 0 EHADMM [O-]c1cc(F)c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c(F)c1 ZINC001144553367 1137308533 /nfs/dbraw/zinc/30/85/33/1137308533.db2.gz AWLYQOPVZOPRGT-FRIZHTMISA-N -1 1 337.410 3.698 20 0 EHADMM COC(=O)c1ccc([C@H]2CCCN2Cc2cc(F)c([O-])cc2F)cc1 ZINC001144663778 1137325129 /nfs/dbraw/zinc/32/51/29/1137325129.db2.gz ISISKMGWOWSOHO-QGZVFWFLSA-N -1 1 347.361 3.794 20 0 EHADMM CSc1cccnc1[N-]C(=O)c1cnc(-c2ccncc2)s1 ZINC001144820794 1137352065 /nfs/dbraw/zinc/35/20/65/1137352065.db2.gz SJYPJQFFDOPRBN-UHFFFAOYSA-N -1 1 328.422 3.574 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846583610 1137358932 /nfs/dbraw/zinc/35/89/32/1137358932.db2.gz QIOFBTZJSBHPCU-CYBMUJFWSA-N -1 1 335.272 3.672 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC001148222626 1137419930 /nfs/dbraw/zinc/41/99/30/1137419930.db2.gz FMZFQHKTYNZHIW-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)cc2)[n-]1 ZINC001148337029 1137422767 /nfs/dbraw/zinc/42/27/67/1137422767.db2.gz VLGILTKSILCCET-CJNGLKHVSA-N -1 1 341.455 3.744 20 0 EHADMM O=C(Nc1ccc(F)c(Br)c1F)c1ccc([O-])c(F)c1 ZINC001148700857 1137431032 /nfs/dbraw/zinc/43/10/32/1137431032.db2.gz IDHKYEUYGQREBS-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM C[C@@]1(CF)CC(F)(F)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794499 1137435042 /nfs/dbraw/zinc/43/50/42/1137435042.db2.gz JTSLTMFGGKDZOR-LBPRGKRZSA-N -1 1 341.251 3.620 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(C1CCC1)C1CCOCC1 ZINC001148801360 1137435279 /nfs/dbraw/zinc/43/52/79/1137435279.db2.gz ZXMGOTYPAJSOKZ-UHFFFAOYSA-N -1 1 343.345 3.585 20 0 EHADMM CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1cccnc1 ZINC001148806543 1137435295 /nfs/dbraw/zinc/43/52/95/1137435295.db2.gz XHOHAPBHROYEPB-HNNXBMFYSA-N -1 1 338.329 3.933 20 0 EHADMM O=C(Nc1cccc2nccn21)c1cccc(-c2ccccc2)c1[O-] ZINC001148861097 1137436404 /nfs/dbraw/zinc/43/64/04/1137436404.db2.gz LDPUZDMKFRNPEX-UHFFFAOYSA-N -1 1 329.359 3.959 20 0 EHADMM CCCOc1ccc(-c2ccc3nc(C(=O)OC)[n-]c3c2)c(F)c1 ZINC001206142113 1137500662 /nfs/dbraw/zinc/50/06/62/1137500662.db2.gz DZDPEEFGAWXEDZ-UHFFFAOYSA-N -1 1 328.343 3.944 20 0 EHADMM CCCOc1ccc(-c2ccc3[n-]c(C(=O)OC)nc3c2)c(F)c1 ZINC001206142113 1137500664 /nfs/dbraw/zinc/50/06/64/1137500664.db2.gz DZDPEEFGAWXEDZ-UHFFFAOYSA-N -1 1 328.343 3.944 20 0 EHADMM CC(C)c1occc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000795193295 1137562628 /nfs/dbraw/zinc/56/26/28/1137562628.db2.gz IPOOTJBVSKOKIC-UHFFFAOYSA-N -1 1 325.162 3.518 20 0 EHADMM Cc1[n-]n(-c2cc(C(F)(F)F)ccc2Br)c(=O)c1F ZINC000871956150 1137563705 /nfs/dbraw/zinc/56/37/05/1137563705.db2.gz ZTMBCKLJIBPYEG-SECBINFHSA-N -1 1 339.086 3.529 20 0 EHADMM COc1ccccc1[C@H]1CSCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000872167803 1137574939 /nfs/dbraw/zinc/57/49/39/1137574939.db2.gz JXDVMSDZBQCXCX-OAHLLOKOSA-N -1 1 347.436 3.667 20 0 EHADMM CC(C)(C)OC1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876394767 1137650712 /nfs/dbraw/zinc/65/07/12/1137650712.db2.gz AJMBMZYPZJQRRF-UHFFFAOYSA-N -1 1 340.851 3.535 20 0 EHADMM O=C(Nc1ccc(F)c(Br)c1)c1ccc(F)c([O-])c1 ZINC001137108839 1137656336 /nfs/dbraw/zinc/65/63/36/1137656336.db2.gz ORFHIEBCDNRCIS-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(CC2CC2)c2ccc(C)cc2)c1 ZINC000923677482 1137723260 /nfs/dbraw/zinc/72/32/60/1137723260.db2.gz VHWISDFELGNQCP-UHFFFAOYSA-N -1 1 338.407 3.716 20 0 EHADMM COc1ccc(CCCCC(=O)Nc2c([O-])cccc2F)cc1OC ZINC000878866411 1137730478 /nfs/dbraw/zinc/73/04/78/1137730478.db2.gz KWGZUEQHGUQTBR-UHFFFAOYSA-N -1 1 347.386 3.900 20 0 EHADMM Cc1cncc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000879750098 1137757821 /nfs/dbraw/zinc/75/78/21/1137757821.db2.gz NKESVBSGZIWJPU-SFHVURJKSA-N -1 1 336.391 3.539 20 0 EHADMM COc1ccccc1[C@H]([N-]c1nnc(C(C)(C)C)o1)c1ccccn1 ZINC000882138179 1137821910 /nfs/dbraw/zinc/82/19/10/1137821910.db2.gz DINFYNLZNOCKMP-INIZCTEOSA-N -1 1 338.411 3.972 20 0 EHADMM CCCNC(=O)Nc1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001202597520 1137882659 /nfs/dbraw/zinc/88/26/59/1137882659.db2.gz NSABPUGVBXTMTE-UHFFFAOYSA-N -1 1 341.127 3.705 20 0 EHADMM CC(C)CCc1cc([N-]S(=O)(=O)C=Cc2ccccc2F)n[nH]1 ZINC000800046042 1137895646 /nfs/dbraw/zinc/89/56/46/1137895646.db2.gz IVWXGSXMPBIPJY-KTKRTIGZSA-N -1 1 337.420 3.550 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)[nH]c3c2)o1 ZINC000332206425 1137935599 /nfs/dbraw/zinc/93/55/99/1137935599.db2.gz FHBJRKWOPVOSBE-UHFFFAOYSA-N -1 1 333.413 3.563 20 0 EHADMM O=c1[n-]nc([C@H]2CCCN(CCc3cccc(Cl)c3Cl)C2)o1 ZINC000332410761 1137943122 /nfs/dbraw/zinc/94/31/22/1137943122.db2.gz JTGJZQKARCPTME-NSHDSACASA-N -1 1 342.226 3.504 20 0 EHADMM COc1cc(C(=O)Nc2cnc(Cl)cc2C)cc(Cl)c1[O-] ZINC000135184273 1137964474 /nfs/dbraw/zinc/96/44/74/1137964474.db2.gz KYQRFGJAUKVBAL-UHFFFAOYSA-N -1 1 327.167 3.663 20 0 EHADMM COc1cc(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000885227230 1137989333 /nfs/dbraw/zinc/98/93/33/1137989333.db2.gz LEAXTNVJZGNEDA-UKRRQHHQSA-N -1 1 335.831 3.705 20 0 EHADMM CCC(CC)n1nccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676330 1138017726 /nfs/dbraw/zinc/01/77/26/1138017726.db2.gz NAIPGQYATYJZNX-UHFFFAOYSA-N -1 1 325.771 3.995 20 0 EHADMM Cc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)oc2c1C(=O)CCC2 ZINC000885674027 1138017825 /nfs/dbraw/zinc/01/78/25/1138017825.db2.gz DAJGFPBDQGRTIC-UHFFFAOYSA-N -1 1 337.734 3.857 20 0 EHADMM CC(C)[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(=O)OC(C)(C)C ZINC000885680163 1138018157 /nfs/dbraw/zinc/01/81/57/1138018157.db2.gz NAFSGXBJCUWKGN-ZDUSSCGKSA-N -1 1 345.798 3.737 20 0 EHADMM Cc1csc(C[C@@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)n1 ZINC000886237362 1138062124 /nfs/dbraw/zinc/06/21/24/1138062124.db2.gz BHKMGILWCUBXSF-NSHDSACASA-N -1 1 336.844 3.515 20 0 EHADMM Cc1ccc2oc(C(=O)NCc3n[n-]c(=S)n3C(C)C)cc2c1 ZINC000066640811 1138076905 /nfs/dbraw/zinc/07/69/05/1138076905.db2.gz JXCNGVFVHROAJU-UHFFFAOYSA-N -1 1 330.413 3.506 20 0 EHADMM CC(C)(C)c1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000067078605 1138079837 /nfs/dbraw/zinc/07/98/37/1138079837.db2.gz OIIPNPDPTCJIBX-UHFFFAOYSA-N -1 1 344.484 3.546 20 0 EHADMM O=C(c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000073356490 1138113162 /nfs/dbraw/zinc/11/31/62/1138113162.db2.gz BJGRDFXLIGECCP-UHFFFAOYSA-N -1 1 343.810 3.781 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)CCC1CCCCC1 ZINC000081751806 1138171002 /nfs/dbraw/zinc/17/10/02/1138171002.db2.gz YNGPFJRVGSXDJP-LLVKDONJSA-N -1 1 337.489 3.691 20 0 EHADMM CSc1ccccc1NC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000085547604 1138184465 /nfs/dbraw/zinc/18/44/65/1138184465.db2.gz NWQIWLZLCXTABB-UHFFFAOYSA-N -1 1 337.474 3.565 20 0 EHADMM CCOc1cc(C(=O)Nc2nc(C3CC3)c(C)o2)cc(Cl)c1[O-] ZINC000887238867 1138245582 /nfs/dbraw/zinc/24/55/82/1138245582.db2.gz WZJCCHYWJVQTLL-UHFFFAOYSA-N -1 1 336.775 3.870 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC2(CCCC2)[C@@H]1C(C)C ZINC000333563290 1138304747 /nfs/dbraw/zinc/30/47/47/1138304747.db2.gz WVFAPJHHBPWAAI-HNNXBMFYSA-N -1 1 345.487 3.829 20 0 EHADMM O=c1nc(CN2CCCC[C@H]2Cc2ccccc2)[n-]c2ccsc21 ZINC000264216981 1138445535 /nfs/dbraw/zinc/44/55/35/1138445535.db2.gz NZLFUNDQTYYEFB-HNNXBMFYSA-N -1 1 339.464 3.994 20 0 EHADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nc2cccnc2s1 ZINC000338185085 1138779293 /nfs/dbraw/zinc/77/92/93/1138779293.db2.gz JTXIDBMGTNYOIT-UHFFFAOYSA-N -1 1 336.376 3.907 20 0 EHADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@H]3C3CCCC3)c2)o1 ZINC000889417612 1139205895 /nfs/dbraw/zinc/20/58/95/1139205895.db2.gz HRQFKMBBVHNBHP-KRWDZBQOSA-N -1 1 339.391 3.869 20 0 EHADMM Cc1cc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(C)s1 ZINC000176000781 1139534014 /nfs/dbraw/zinc/53/40/14/1139534014.db2.gz KSQNHAJIKKUNLF-SNVBAGLBSA-N -1 1 347.484 3.545 20 0 EHADMM CCOc1cc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc(Cl)c1[O-] ZINC000186879506 1140226427 /nfs/dbraw/zinc/22/64/27/1140226427.db2.gz HRMJKEKNWCHVTJ-NSHDSACASA-N -1 1 349.814 3.511 20 0 EHADMM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000191189917 1140443040 /nfs/dbraw/zinc/44/30/40/1140443040.db2.gz ADCHFUXLXUPGII-GXTWGEPZSA-N -1 1 347.798 3.805 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)c1F ZINC001320127283 1140948028 /nfs/dbraw/zinc/94/80/28/1140948028.db2.gz UJDZFKCJGDPSOV-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM CSc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000339126061 1141503934 /nfs/dbraw/zinc/50/39/34/1141503934.db2.gz FDALCETZGIKRFT-UHFFFAOYSA-N -1 1 325.393 3.757 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000339157171 1141513516 /nfs/dbraw/zinc/51/35/16/1141513516.db2.gz UBKGDXJMCOBTJG-UHFFFAOYSA-N -1 1 338.285 3.622 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CC(c2nc3ccccc3s2)C1 ZINC000348853578 1141597041 /nfs/dbraw/zinc/59/70/41/1141597041.db2.gz QXOAWJAXHYGLIF-UHFFFAOYSA-N -1 1 346.358 3.520 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2nnc(-c3ccccc3)o2)n1 ZINC000009794151 211123773 /nfs/dbraw/zinc/12/37/73/211123773.db2.gz IZNFRILRRSUJMF-LLVKDONJSA-N -1 1 342.424 3.626 20 0 EHADMM Cc1sc(NS(=O)(=O)c2ccccc2Cl)c(C(=O)[O-])c1C ZINC000008861951 211012326 /nfs/dbraw/zinc/01/23/26/211012326.db2.gz UPCGYFJKGPOZES-UHFFFAOYSA-N -1 1 345.829 3.517 20 0 EHADMM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043043636 518178998 /nfs/dbraw/zinc/17/89/98/518178998.db2.gz WWAIQOGHXMBNHJ-KDOFPFPSSA-N -1 1 344.455 3.575 20 0 EHADMM CC[C@H](C)c1ccc(OC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000736329766 599026658 /nfs/dbraw/zinc/02/66/58/599026658.db2.gz VCNNYTPPMCSEIA-JTQLQIEISA-N -1 1 328.397 3.661 20 0 EHADMM Clc1nsc(N[C@H](CC2CC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000822590086 599054117 /nfs/dbraw/zinc/05/41/17/599054117.db2.gz HOTIRPSKSMNGMI-LLVKDONJSA-N -1 1 346.847 3.930 20 0 EHADMM Clc1nsc(N[C@H](CC2CC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000822590086 599054119 /nfs/dbraw/zinc/05/41/19/599054119.db2.gz HOTIRPSKSMNGMI-LLVKDONJSA-N -1 1 346.847 3.930 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2csc(-c3ccccc3F)n2)C1 ZINC000532711798 597085479 /nfs/dbraw/zinc/08/54/79/597085479.db2.gz LJHRQDMVWBCQEZ-LBPRGKRZSA-N -1 1 334.416 3.636 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000818052382 597209297 /nfs/dbraw/zinc/20/92/97/597209297.db2.gz HFVSFUOYJGAGRE-NSHDSACASA-N -1 1 345.349 3.980 20 0 EHADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc(OC2CCCC2)cc1 ZINC000823756577 607309448 /nfs/dbraw/zinc/30/94/48/607309448.db2.gz CISIPZSOBASESH-UHFFFAOYSA-N -1 1 341.440 3.862 20 0 EHADMM O=C([O-])c1cccc(CNCc2ccc(-c3ccncc3)cc2F)c1 ZINC000683176911 598194116 /nfs/dbraw/zinc/19/41/16/598194116.db2.gz WSQSPTARXFSFDG-UHFFFAOYSA-N -1 1 336.366 3.876 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(F)c1F)c1ccccc1C(F)(F)F ZINC000739501213 599792157 /nfs/dbraw/zinc/79/21/57/599792157.db2.gz UOXDKCZRSKXQEN-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000739463763 599850399 /nfs/dbraw/zinc/85/03/99/599850399.db2.gz UMYJQMPWZXYWRA-UHFFFAOYSA-N -1 1 347.330 3.773 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738228199 600029732 /nfs/dbraw/zinc/02/97/32/600029732.db2.gz OSZMDPLTYXZYGC-LLVKDONJSA-N -1 1 340.335 3.594 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736820667 600173909 /nfs/dbraw/zinc/17/39/09/600173909.db2.gz FJRZUBDIPJEQGK-SPYBWZPUSA-N -1 1 325.408 3.735 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000739505544 600420035 /nfs/dbraw/zinc/42/00/35/600420035.db2.gz RHKMQDVYFAUDST-AWEZNQCLSA-N -1 1 343.276 3.640 20 0 EHADMM CC(C)[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736389802 600541072 /nfs/dbraw/zinc/54/10/72/600541072.db2.gz DUQIXWQWEQVFFQ-INIZCTEOSA-N -1 1 346.452 3.714 20 0 EHADMM O=C([O-])[C@@H](N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1 ZINC000833168372 600758528 /nfs/dbraw/zinc/75/85/28/600758528.db2.gz XLSKKIOJWWMHOP-OCCSQVGLSA-N -1 1 338.190 3.842 20 0 EHADMM CCOc1ccc(-c2nc(CN3CCC[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000164562530 600845253 /nfs/dbraw/zinc/84/52/53/600845253.db2.gz AHBJBXCRIKCNAU-AWEZNQCLSA-N -1 1 346.452 3.505 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)c(C)c1C(=O)[O-] ZINC000832920825 601500288 /nfs/dbraw/zinc/50/02/88/601500288.db2.gz IAXCRCHAWYHKPZ-WCQYABFASA-N -1 1 346.402 3.699 20 0 EHADMM Cc1ccc(OC(F)F)c(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832951218 601642309 /nfs/dbraw/zinc/64/23/09/601642309.db2.gz SBJSBGSUFPQVIC-OAHLLOKOSA-N -1 1 339.313 3.651 20 0 EHADMM C[C@H]1CN(Cn2c(-c3ccccc3)csc2=S)C[C@H]1C(=O)[O-] ZINC000828464456 601817653 /nfs/dbraw/zinc/81/76/53/601817653.db2.gz UZIPUAHZUCNDAR-WCQYABFASA-N -1 1 334.466 3.556 20 0 EHADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(C(=O)[O-])s1 ZINC000828509025 601955541 /nfs/dbraw/zinc/95/55/41/601955541.db2.gz LPFDDDHPLWYPLH-PBFPGSCMSA-N -1 1 331.437 3.797 20 0 EHADMM Clc1ccc(Cl)c(SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826352325 607540886 /nfs/dbraw/zinc/54/08/86/607540886.db2.gz WXEBXFZEVBZJMW-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM Clc1ccc(Cl)c(SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826352325 607540888 /nfs/dbraw/zinc/54/08/88/607540888.db2.gz WXEBXFZEVBZJMW-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1cc(C)c(C(=O)[O-])o1)CCC2 ZINC000569010462 602054140 /nfs/dbraw/zinc/05/41/40/602054140.db2.gz NGENASWEVYVSEG-ZDUSSCGKSA-N -1 1 334.441 3.815 20 0 EHADMM CN(CC1CCN(Cc2cc3ccccc3nc2Cl)CC1)C(=O)[O-] ZINC000739665100 602385782 /nfs/dbraw/zinc/38/57/82/602385782.db2.gz KNEDDIIECYAVIM-UHFFFAOYSA-N -1 1 347.846 3.710 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000829658310 602397961 /nfs/dbraw/zinc/39/79/61/602397961.db2.gz CFSWOEPWEJMNGM-QGZVFWFLSA-N -1 1 344.386 3.546 20 0 EHADMM Cc1csc(CNC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000740209735 602995298 /nfs/dbraw/zinc/99/52/98/602995298.db2.gz KVVWRUSVPJZXDX-HNNXBMFYSA-N -1 1 333.457 3.673 20 0 EHADMM Cc1ccc(-c2nc(CN(C)C3CCC(NC(=O)[O-])CC3)co2)cc1 ZINC000830156439 603787022 /nfs/dbraw/zinc/78/70/22/603787022.db2.gz XXCCVAKHPLTNRK-UHFFFAOYSA-N -1 1 343.427 3.661 20 0 EHADMM C[C@](CNC(=O)[O-])(NCc1coc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000824954267 605169887 /nfs/dbraw/zinc/16/98/87/605169887.db2.gz ZGYMDWPLDXKFNE-QGZVFWFLSA-N -1 1 349.818 3.521 20 0 EHADMM C[C@H](c1ccccc1Cl)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000566367474 605293403 /nfs/dbraw/zinc/29/34/03/605293403.db2.gz PVHVUECFTQREEP-CYBMUJFWSA-N -1 1 333.815 3.996 20 0 EHADMM O=C([O-])N[C@H]1C[C@H](NC2(c3cccc(F)c3)CC2)c2ccccc21 ZINC000834157312 605810723 /nfs/dbraw/zinc/81/07/23/605810723.db2.gz GGAVPNAOHDJTHV-IRXDYDNUSA-N -1 1 326.371 3.858 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2ccccc2F)c(-c2nnn[n-]2)s1 ZINC000824129655 607930059 /nfs/dbraw/zinc/93/00/59/607930059.db2.gz DACALQNASFAPHK-UHFFFAOYSA-N -1 1 345.403 3.617 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2ccccc2F)c(-c2nn[n-]n2)s1 ZINC000824129655 607930060 /nfs/dbraw/zinc/93/00/60/607930060.db2.gz DACALQNASFAPHK-UHFFFAOYSA-N -1 1 345.403 3.617 20 0 EHADMM Clc1nsc(Oc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826354747 608169271 /nfs/dbraw/zinc/16/92/71/608169271.db2.gz SQQIYQRUNJJBEP-UHFFFAOYSA-N -1 1 329.772 3.922 20 0 EHADMM C=COc1ccc(Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)cc1 ZINC001573351504 947615016 /nfs/dbraw/zinc/61/50/16/947615016.db2.gz RAMPXCQNLBRJKF-UHFFFAOYSA-N -1 1 348.288 3.546 20 0 EHADMM C=COc1ccc(Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)cc1 ZINC001573351504 947615022 /nfs/dbraw/zinc/61/50/22/947615022.db2.gz RAMPXCQNLBRJKF-UHFFFAOYSA-N -1 1 348.288 3.546 20 0 EHADMM Cc1ccc2nc(SCCOc3ccccc3C(=O)[O-])[nH]c2c1 ZINC000320307505 950982555 /nfs/dbraw/zinc/98/25/55/950982555.db2.gz TZJHMPLTFNHEJK-UHFFFAOYSA-N -1 1 328.393 3.741 20 0 EHADMM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC001589480424 954969145 /nfs/dbraw/zinc/96/91/45/954969145.db2.gz UUTUFQQLYIOOHW-UHFFFAOYSA-N -1 1 341.367 3.652 20 0 EHADMM Cc1cc(CN(C)Cc2cccc(Br)c2)oc1C(=O)[O-] ZINC000048891683 957469026 /nfs/dbraw/zinc/46/90/26/957469026.db2.gz ZSEUXVULGTVZKZ-UHFFFAOYSA-N -1 1 338.201 3.681 20 0 EHADMM O=C([O-])c1cccc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC001332421335 961568455 /nfs/dbraw/zinc/56/84/55/961568455.db2.gz YLVRNIJPQYBFDM-QZTJIDSGSA-N -1 1 329.371 3.534 20 0 EHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000263061049 967840635 /nfs/dbraw/zinc/84/06/35/967840635.db2.gz MSKHCZWPOXPARC-ONGXEEELSA-N -1 1 346.652 3.645 20 0 EHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)[nH]n1 ZINC000538009143 1032081808 /nfs/dbraw/zinc/08/18/08/1032081808.db2.gz WQILBRVLJRBCLY-VIFPVBQESA-N -1 1 327.475 3.792 20 0 EHADMM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000515029285 974295647 /nfs/dbraw/zinc/29/56/47/974295647.db2.gz LEDRORJHPAJUDR-MRXNPFEDSA-N -1 1 348.240 3.927 20 0 EHADMM Cc1nc(C(F)(F)F)c(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)s1 ZINC000530178179 974363927 /nfs/dbraw/zinc/36/39/27/974363927.db2.gz ZNHLPEOLKBMYBG-DIYOJNKTSA-N -1 1 336.379 3.544 20 0 EHADMM O=C([O-])C[C@H]1CCCN1Cc1cc(Cl)cc(Br)c1 ZINC000565103105 974569319 /nfs/dbraw/zinc/56/93/19/974569319.db2.gz JAODXNYLJASLKP-GFCCVEGCSA-N -1 1 332.625 3.542 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)c(F)c1 ZINC000565721537 974587889 /nfs/dbraw/zinc/58/78/89/974587889.db2.gz QAKXSHYWFVDAPL-UHFFFAOYSA-N -1 1 347.361 3.706 20 0 EHADMM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCCO1 ZINC000578910349 974865650 /nfs/dbraw/zinc/86/56/50/974865650.db2.gz NSXFIGRSGYFQQR-DZGCQCFKSA-N -1 1 346.254 3.866 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2csc(C3CCCC3)n2)[C@@H]2CCC[C@@H]21 ZINC000629373686 975089094 /nfs/dbraw/zinc/08/90/94/975089094.db2.gz KXEVSYLDPSHKER-BZUAXINKSA-N -1 1 334.485 3.876 20 0 EHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(CCc2ccccc2)n1 ZINC000579717702 1014251971 /nfs/dbraw/zinc/25/19/71/1014251971.db2.gz HIRDLJPLSGSKKG-HOCLYGCPSA-N -1 1 344.480 3.613 20 0 EHADMM Cc1cc(CN(C)Cc2ccc(C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000652374346 975515715 /nfs/dbraw/zinc/51/57/15/975515715.db2.gz OQVFGBFXGFRIGZ-UHFFFAOYSA-N -1 1 327.302 3.937 20 0 EHADMM Cc1nc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000652497296 975560370 /nfs/dbraw/zinc/56/03/70/975560370.db2.gz RDPOIKPZLISXTR-XHDPSFHLSA-N -1 1 348.830 3.846 20 0 EHADMM C[C@@](CC(=O)[O-])(NCc1ccc(-c2ccccc2)o1)c1ccncc1 ZINC001592329058 977752258 /nfs/dbraw/zinc/75/22/58/977752258.db2.gz QOFMCZOBGZTJDC-FQEVSTJZSA-N -1 1 336.391 3.821 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC[C@H](CC(=O)[O-])C3)cs2)cc1 ZINC000320099309 1014446765 /nfs/dbraw/zinc/44/67/65/1014446765.db2.gz AGZPRKQCZLZIBN-CQSZACIVSA-N -1 1 330.453 3.805 20 0 EHADMM c1n[n-]c(=NCc2cccc(OC3CCCC3)c2)n1Cc1ccccc1 ZINC000547636531 1014547898 /nfs/dbraw/zinc/54/78/98/1014547898.db2.gz TUGGLCINCILOFI-UHFFFAOYSA-N -1 1 348.450 3.682 20 0 EHADMM C/C(=C\c1cccc(C(F)(F)F)c1)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000901520026 980337453 /nfs/dbraw/zinc/33/74/53/980337453.db2.gz UFPHJUWBKSEPIO-USYSOWRXSA-N -1 1 331.309 3.607 20 0 EHADMM CC[C@@H](NCc1cccc(C(=O)[O-])c1Cl)c1c(C)nn(C)c1C ZINC001595300429 980434243 /nfs/dbraw/zinc/43/42/43/980434243.db2.gz PYYKXLOPCVORAD-CQSZACIVSA-N -1 1 335.835 3.629 20 0 EHADMM Cc1cc(CNCc2ccc(Br)cc2C)oc1C(=O)[O-] ZINC000901939228 980641066 /nfs/dbraw/zinc/64/10/66/980641066.db2.gz RYFGUEBLVYRZMG-UHFFFAOYSA-N -1 1 338.201 3.647 20 0 EHADMM Cc1oc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1C(=O)[O-] ZINC000902452708 980893915 /nfs/dbraw/zinc/89/39/15/980893915.db2.gz MERZIVXRCAWBGT-UHFFFAOYSA-N -1 1 339.391 3.727 20 0 EHADMM Cc1cc([C@@H]2CCCN2Cc2ccnc3c(C(=O)[O-])cccc23)on1 ZINC000902512297 980915488 /nfs/dbraw/zinc/91/54/88/980915488.db2.gz JXNZIBYPNSUEPY-INIZCTEOSA-N -1 1 337.379 3.567 20 0 EHADMM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001625792309 1014760203 /nfs/dbraw/zinc/76/02/03/1014760203.db2.gz DGOWXMNLYSATOY-UKRRQHHQSA-N -1 1 345.361 3.735 20 0 EHADMM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1cc(Cl)ccc1OC(F)F ZINC001599901837 984847547 /nfs/dbraw/zinc/84/75/47/984847547.db2.gz XFRMCCNEBLMUGC-QMMMGPOBSA-N -1 1 344.745 3.819 20 0 EHADMM CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001589205868 985672405 /nfs/dbraw/zinc/67/24/05/985672405.db2.gz OFLGFHWQQMLOAT-VXGBXAGGSA-N -1 1 330.384 3.656 20 0 EHADMM CCOc1ccccc1[C@@H](CC)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001597172772 987007769 /nfs/dbraw/zinc/00/77/69/987007769.db2.gz JUHIMUHNHUCOOH-HUUCEWRRSA-N -1 1 343.427 3.556 20 0 EHADMM CCc1ccc([C@@H]2CCCCCN2Cc2ccc(C(=O)[O-])n2C)o1 ZINC001597518607 988138268 /nfs/dbraw/zinc/13/82/68/988138268.db2.gz WWQAKYITFPVGIZ-INIZCTEOSA-N -1 1 330.428 3.996 20 0 EHADMM CCc1ccc2c(c1)CCN(Cc1ccccc1O[C@@H](C)C(=O)[O-])C2 ZINC001597568749 988326916 /nfs/dbraw/zinc/32/69/16/988326916.db2.gz HPWBDXACGKAHRI-HNNXBMFYSA-N -1 1 339.435 3.659 20 0 EHADMM C[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc2c(c1)CCO2 ZINC001599841562 988846056 /nfs/dbraw/zinc/84/60/56/988846056.db2.gz RNHCKSYGKUPJJU-LLVKDONJSA-N -1 1 331.799 3.824 20 0 EHADMM O=C([N-]c1c(F)cc(F)cc1F)c1csc([C@H]2CCCO2)n1 ZINC000339658970 1015477244 /nfs/dbraw/zinc/47/72/44/1015477244.db2.gz UNCXLNKVOVTWPB-LLVKDONJSA-N -1 1 328.315 3.664 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1csc(-c2ccccc2F)n1 ZINC001599879059 989459500 /nfs/dbraw/zinc/45/95/00/989459500.db2.gz ZNZXMXDUJTXUFP-VXGBXAGGSA-N -1 1 334.416 3.634 20 0 EHADMM CC(C)(/C=C/Cl)NCc1ccc(C(=O)[O-])cc1Br ZINC001590615127 990287279 /nfs/dbraw/zinc/28/72/79/990287279.db2.gz KEAGGLDFJJBMCO-AATRIKPKSA-N -1 1 332.625 3.768 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC000052954765 1032119088 /nfs/dbraw/zinc/11/90/88/1032119088.db2.gz OSTZFICJBVVYJS-UHFFFAOYSA-N -1 1 338.364 3.741 20 0 EHADMM CC(C)C1(O)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001591068165 991524248 /nfs/dbraw/zinc/52/42/48/991524248.db2.gz ULBMODZGJUGLFC-AWEZNQCLSA-N -1 1 346.254 3.602 20 0 EHADMM COc1nsc(CN(C)Cc2cccc3ccccc32)c1C(=O)[O-] ZINC001599740812 991852783 /nfs/dbraw/zinc/85/27/83/991852783.db2.gz IYOVOFTYBRWLGA-UHFFFAOYSA-N -1 1 342.420 3.635 20 0 EHADMM CN(Cc1cc(C(C)(C)C)[nH]n1)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598507582 992526161 /nfs/dbraw/zinc/52/61/61/992526161.db2.gz WLBOIMCBSKCVCG-HNNXBMFYSA-N -1 1 335.835 3.618 20 0 EHADMM CC(C)Cc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001591483782 992605081 /nfs/dbraw/zinc/60/50/81/992605081.db2.gz LCLBPWVNMCJOBI-FQEVSTJZSA-N -1 1 326.440 3.760 20 0 EHADMM C[C@@H](NCc1cc(Br)cs1)c1cc(C(=O)[O-])co1 ZINC001593288369 994655084 /nfs/dbraw/zinc/65/50/84/994655084.db2.gz HXBSUZDPPFANKC-SSDOTTSWSA-N -1 1 330.203 3.653 20 0 EHADMM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccccc1OC(F)F ZINC001593304307 994744380 /nfs/dbraw/zinc/74/43/80/994744380.db2.gz LBYHABYXKFLDOE-LBPRGKRZSA-N -1 1 335.350 3.766 20 0 EHADMM O=S(=O)([N-]c1ncccc1F)c1ccccc1-c1ccccc1 ZINC000180262408 1015896283 /nfs/dbraw/zinc/89/62/83/1015896283.db2.gz FLNRWHVWYSRHEE-UHFFFAOYSA-N -1 1 328.368 3.689 20 0 EHADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1)OCO2 ZINC000180355364 1015919109 /nfs/dbraw/zinc/91/91/09/1015919109.db2.gz RSHYSAHNQCJLMP-UHFFFAOYSA-N -1 1 333.409 3.648 20 0 EHADMM Cc1cc(-c2csc(NC(=O)c3cncc([O-])c3)n2)c(F)cc1F ZINC000339917343 1015921121 /nfs/dbraw/zinc/92/11/21/1015921121.db2.gz MLDIRVNZTBPYOT-UHFFFAOYSA-N -1 1 347.346 3.750 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1F ZINC000180520743 1015967243 /nfs/dbraw/zinc/96/72/43/1015967243.db2.gz LOBVXDRYCFOOLS-UHFFFAOYSA-N -1 1 340.395 3.894 20 0 EHADMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC001593699755 996172416 /nfs/dbraw/zinc/17/24/16/996172416.db2.gz XRHPIZALSFOLDN-NSHDSACASA-N -1 1 338.329 3.992 20 0 EHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001593724631 996267229 /nfs/dbraw/zinc/26/72/29/996267229.db2.gz ICVWGRMPXRLDJF-GFCCVEGCSA-N -1 1 339.395 3.795 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC001599499143 997080009 /nfs/dbraw/zinc/08/00/09/997080009.db2.gz TYODCMAECDZFGQ-GXFFZTMASA-N -1 1 331.334 3.556 20 0 EHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)c(C)c1OC ZINC001599571592 998372919 /nfs/dbraw/zinc/37/29/19/998372919.db2.gz SESPETHQSSGKOW-MRXNPFEDSA-N -1 1 349.814 3.581 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]nc1-c1c(F)cccc1F ZINC000182863969 1032145109 /nfs/dbraw/zinc/14/51/09/1032145109.db2.gz VEPHQIBYZCCDMZ-UHFFFAOYSA-N -1 1 349.724 3.966 20 0 EHADMM CC[C@H]1CCCC[C@H]1C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001266467214 1016862600 /nfs/dbraw/zinc/86/26/00/1016862600.db2.gz JBDVKLJNIIRLFF-NWDGAFQWSA-N -1 1 329.400 3.504 20 0 EHADMM CC(C)CNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430410536 1016866912 /nfs/dbraw/zinc/86/69/12/1016866912.db2.gz RISBEKFTFSSEQY-UHFFFAOYSA-N -1 1 336.391 3.706 20 0 EHADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000179463271 1016870866 /nfs/dbraw/zinc/87/08/66/1016870866.db2.gz MTJVXHQSUNOOSV-ZYHUDNBSSA-N -1 1 326.234 3.805 20 0 EHADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000180194980 1016889860 /nfs/dbraw/zinc/88/98/60/1016889860.db2.gz VYKPKIIYFPQHPI-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS[C@H]2CCCC[C@@H]21 ZINC000180700814 1016904754 /nfs/dbraw/zinc/90/47/54/1016904754.db2.gz DSTZANQPDJYLIZ-JSGCOSHPSA-N -1 1 345.386 3.911 20 0 EHADMM O=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc([O-])cc1F ZINC000181183245 1016910287 /nfs/dbraw/zinc/91/02/87/1016910287.db2.gz GLBUJALWJVDWFC-UHFFFAOYSA-N -1 1 328.170 3.811 20 0 EHADMM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc([O-])cc2F)c1 ZINC000182044093 1017047365 /nfs/dbraw/zinc/04/73/65/1017047365.db2.gz DYCAKVBGFUIVAY-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM Cc1cc(C)cc([C@H]2CCN(Cc3nc(=O)c4sccc4[n-]3)C2)c1 ZINC000183464744 1032173478 /nfs/dbraw/zinc/17/34/78/1032173478.db2.gz IDPOCUOWIMAPAB-AWEZNQCLSA-N -1 1 339.464 3.591 20 0 EHADMM Cc1c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2nn1C ZINC000461343137 1032408395 /nfs/dbraw/zinc/40/83/95/1032408395.db2.gz QGNSUBOMMKHAGK-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1c(C)cccc1C(C)C ZINC000084294319 1032438132 /nfs/dbraw/zinc/43/81/32/1032438132.db2.gz CATGZCZDQGBNHS-UHFFFAOYSA-N -1 1 333.461 3.503 20 0 EHADMM Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(Br)s2)n1 ZINC000118967934 1032481426 /nfs/dbraw/zinc/48/14/26/1032481426.db2.gz XJJXCRXWQVMGMP-UHFFFAOYSA-N -1 1 327.247 3.552 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(C3CCC3)s2)cc1 ZINC000669470419 1032662693 /nfs/dbraw/zinc/66/26/93/1032662693.db2.gz DMTRRZSCBRDPRC-MRXNPFEDSA-N -1 1 346.452 3.725 20 0 EHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2sccc2Cl)cc1 ZINC000669470414 1032663649 /nfs/dbraw/zinc/66/36/49/1032663649.db2.gz CQJWCYBFHXHAQC-CYBMUJFWSA-N -1 1 325.817 3.716 20 0 EHADMM Cc1ccccc1-c1noc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000683454610 1017223630 /nfs/dbraw/zinc/22/36/30/1017223630.db2.gz LHXQCXGNCBJFQH-UHFFFAOYSA-N -1 1 340.408 3.710 20 0 EHADMM Nc1c2cc(Br)ccc2nn1-c1cccc(Cl)c1[O-] ZINC001210216787 1017577727 /nfs/dbraw/zinc/57/77/27/1017577727.db2.gz OUQNCXLKRVRZOZ-UHFFFAOYSA-N -1 1 338.592 3.729 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3CCCN3c3ccccc3)n2)cc1F ZINC000377475453 1017873457 /nfs/dbraw/zinc/87/34/57/1017873457.db2.gz OLYKQQWNQKJPNY-OAHLLOKOSA-N -1 1 325.343 3.923 20 0 EHADMM CCOc1cc(C(=O)N2CCC(CSC)CC2)cc(Cl)c1[O-] ZINC000834379768 1017882402 /nfs/dbraw/zinc/88/24/02/1017882402.db2.gz CZVPSLGCOSMQTM-UHFFFAOYSA-N -1 1 343.876 3.660 20 0 EHADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000609459578 1018096028 /nfs/dbraw/zinc/09/60/28/1018096028.db2.gz ZBLCRQPRDLYBPA-UHFFFAOYSA-N -1 1 325.430 3.798 20 0 EHADMM CCc1nnc(-c2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2)o1 ZINC000348639275 1018152310 /nfs/dbraw/zinc/15/23/10/1018152310.db2.gz YQAGRFJGOQCKQY-UHFFFAOYSA-N -1 1 345.305 3.535 20 0 EHADMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1sccc1F ZINC000340031463 1018747640 /nfs/dbraw/zinc/74/76/40/1018747640.db2.gz BJPKTIPNUNZKSQ-UHFFFAOYSA-N -1 1 337.376 3.721 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1 ZINC000433498750 1019033056 /nfs/dbraw/zinc/03/30/56/1019033056.db2.gz ABRIBKCFOWFTBR-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM O=C([O-])[C@@]1(NCc2ccsc2Cl)CCc2c1cccc2F ZINC000340673413 1019152562 /nfs/dbraw/zinc/15/25/62/1019152562.db2.gz IOOFDPZTDLIFNH-OAHLLOKOSA-N -1 1 325.792 3.557 20 0 EHADMM C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])CC2(CCCCC2)O1 ZINC000656192290 1019179445 /nfs/dbraw/zinc/17/94/45/1019179445.db2.gz NVFSAGFMQODFPQ-ZDUSSCGKSA-N -1 1 337.847 3.962 20 0 EHADMM C[C@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CC2(CCCCC2)O1 ZINC000656192290 1019179453 /nfs/dbraw/zinc/17/94/53/1019179453.db2.gz NVFSAGFMQODFPQ-ZDUSSCGKSA-N -1 1 337.847 3.962 20 0 EHADMM Cc1ccc2ncnc(N3CCC(C(=O)c4ccc([O-])cc4)CC3)c2c1 ZINC000092687620 1032813970 /nfs/dbraw/zinc/81/39/70/1032813970.db2.gz PZZBBLPFHVOJAN-UHFFFAOYSA-N -1 1 347.418 3.743 20 0 EHADMM Cc1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c2[nH]ccc21 ZINC001167936684 1019227191 /nfs/dbraw/zinc/22/71/91/1019227191.db2.gz MCZWTMPWGHBONH-UHFFFAOYSA-N -1 1 342.335 3.561 20 0 EHADMM CC(C)Oc1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937388 1019249323 /nfs/dbraw/zinc/24/93/23/1019249323.db2.gz WYQDCSBLVIBTTP-UHFFFAOYSA-N -1 1 347.351 3.559 20 0 EHADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc2c(c1)CCC2 ZINC000055598422 1019270846 /nfs/dbraw/zinc/27/08/46/1019270846.db2.gz LGLQIZBXHSZNRQ-UHFFFAOYSA-N -1 1 339.363 3.578 20 0 EHADMM COC(=O)c1[n-]c(=NCc2ccccc2OC2CCCC2)sc1C ZINC000434087293 1019947570 /nfs/dbraw/zinc/94/75/70/1019947570.db2.gz NKDUYPJFHPXWFC-UHFFFAOYSA-N -1 1 346.452 3.594 20 0 EHADMM CCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606903591 1032896533 /nfs/dbraw/zinc/89/65/33/1032896533.db2.gz ZOMSVVYNSGZOMG-UHFFFAOYSA-N -1 1 329.771 3.826 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCc2n[nH]cc2C1 ZINC001167444647 1020390854 /nfs/dbraw/zinc/39/08/54/1020390854.db2.gz JQUDWFYQWSCLSM-SNVBAGLBSA-N -1 1 341.798 3.666 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000340921468 1020617223 /nfs/dbraw/zinc/61/72/23/1020617223.db2.gz VXYUOVZSFJFRST-UHFFFAOYSA-N -1 1 327.352 3.571 20 0 EHADMM O=S(=O)([N-]c1ccc([C@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000581436494 1020916248 /nfs/dbraw/zinc/91/62/48/1020916248.db2.gz NISKZAFCCCEXGC-ZDUSSCGKSA-N -1 1 337.828 3.645 20 0 EHADMM CC(C)[C@@H]1CCCN1c1ccc(NC(=O)c2cncc([O-])c2)cc1F ZINC000760420918 1032941625 /nfs/dbraw/zinc/94/16/25/1032941625.db2.gz CNTYDGNGZQILAF-KRWDZBQOSA-N -1 1 343.402 3.803 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H](NCc2cccc(OC3CC3)c2F)c2ccccc21 ZINC000656566554 1020934251 /nfs/dbraw/zinc/93/42/51/1020934251.db2.gz OETZYDRSWHTGNH-IAGOWNOFSA-N -1 1 341.382 3.770 20 0 EHADMM C[C@H](CCc1ccccc1F)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000439117342 1021162028 /nfs/dbraw/zinc/16/20/28/1021162028.db2.gz JAXVKJUSWUTZFV-GFCCVEGCSA-N -1 1 343.427 3.907 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(Cl)cc1[O-] ZINC000436780063 1021208390 /nfs/dbraw/zinc/20/83/90/1021208390.db2.gz MYXNJAOUONKDJF-SFHVURJKSA-N -1 1 338.794 3.960 20 0 EHADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1Cc2ccccc2C1 ZINC000436766952 1021215194 /nfs/dbraw/zinc/21/51/94/1021215194.db2.gz FCZUOZROCHDYEG-UHFFFAOYSA-N -1 1 335.325 3.650 20 0 EHADMM CC[C@H](CNC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccc1 ZINC000436766684 1021215890 /nfs/dbraw/zinc/21/58/90/1021215890.db2.gz SOHZGHBFFLHCPV-GFCCVEGCSA-N -1 1 333.815 3.978 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)c(C)c2)c1 ZINC000436787060 1021228239 /nfs/dbraw/zinc/22/82/39/1021228239.db2.gz MCVYVLFDJPFRKA-UHFFFAOYSA-N -1 1 342.395 3.699 20 0 EHADMM O=S(=O)(Cc1cc(F)ccc1Cl)[N-]c1cccc(C2CC2)n1 ZINC000656735974 1021230762 /nfs/dbraw/zinc/23/07/62/1021230762.db2.gz ZFUUTAANCGTZCM-UHFFFAOYSA-N -1 1 340.807 3.693 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1nc2ccccc2n1C ZINC000436795828 1021238651 /nfs/dbraw/zinc/23/86/51/1021238651.db2.gz GFRPTKDGEFZKEM-CYBMUJFWSA-N -1 1 345.402 3.923 20 0 EHADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436818986 1021246090 /nfs/dbraw/zinc/24/60/90/1021246090.db2.gz HEOAOMSXYRMELV-XHDPSFHLSA-N -1 1 325.836 3.617 20 0 EHADMM CCc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)c([O-])c1 ZINC000436827164 1021277318 /nfs/dbraw/zinc/27/73/18/1021277318.db2.gz RQKQSFWDIYWYDG-UHFFFAOYSA-N -1 1 325.393 3.725 20 0 EHADMM O=C(NCCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1[O-] ZINC000436856185 1021281010 /nfs/dbraw/zinc/28/10/10/1021281010.db2.gz LDKCWTPVGCFKQX-UHFFFAOYSA-N -1 1 328.799 3.890 20 0 EHADMM CCc1ccc(C(=O)Nc2ncc(-c3cccnc3)s2)c([O-])c1 ZINC000436839027 1021282196 /nfs/dbraw/zinc/28/21/96/1021282196.db2.gz LGFCTUOYRMZADN-UHFFFAOYSA-N -1 1 325.393 3.725 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)cc1F ZINC000656763053 1021288683 /nfs/dbraw/zinc/28/86/83/1021288683.db2.gz KROIGLMTSGLLJM-AWEZNQCLSA-N -1 1 335.400 3.931 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2ccccc2OC2CC2)[C@@H]2CCCC[C@H]12 ZINC000656768723 1021307570 /nfs/dbraw/zinc/30/75/70/1021307570.db2.gz WLOHHSGTWPCYMK-KZNAEPCWSA-N -1 1 329.440 3.693 20 0 EHADMM COc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)c(F)c1 ZINC000436874060 1021317403 /nfs/dbraw/zinc/31/74/03/1021317403.db2.gz 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3.718 20 0 EHADMM C[C@H]1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@H]1C ZINC000091743776 1021638336 /nfs/dbraw/zinc/63/83/36/1021638336.db2.gz XUVDGTPEZXMKDQ-STQMWFEESA-N -1 1 348.443 4.000 20 0 EHADMM CCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H](CC)c1ccccc1 ZINC000519888228 1021748076 /nfs/dbraw/zinc/74/80/76/1021748076.db2.gz IFPHKVBDAHCPKH-GOSISDBHSA-N -1 1 349.434 3.927 20 0 EHADMM CC[C@H](CSC)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000593740404 1033022882 /nfs/dbraw/zinc/02/28/82/1033022882.db2.gz XGCXIZVNNPNHDB-SNVBAGLBSA-N -1 1 346.290 3.721 20 0 EHADMM Cc1ccc(C)c(OCC[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000517394094 1022302115 /nfs/dbraw/zinc/30/21/15/1022302115.db2.gz ATOWJVGABGMVLD-OALUTQOASA-N -1 1 339.435 3.973 20 0 EHADMM Cc1cccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)c1C ZINC000473651367 1022355137 /nfs/dbraw/zinc/35/51/37/1022355137.db2.gz KNCMMEDGCPKGPC-UHFFFAOYSA-N -1 1 327.334 3.646 20 0 EHADMM CCc1nc(NC(=O)c2cc(Br)ccc2[O-])sc1C ZINC000048597389 1022368325 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O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000111666252 1022697244 /nfs/dbraw/zinc/69/72/44/1022697244.db2.gz MJXKGKXVFUXPAK-UHFFFAOYSA-N -1 1 328.755 3.882 20 0 EHADMM COc1ccc(-c2nnc([N-]C(=O)c3conc3C(C)C)s2)cc1 ZINC000528924240 1033089259 /nfs/dbraw/zinc/08/92/59/1033089259.db2.gz JESDZLHHUKIFQA-UHFFFAOYSA-N -1 1 344.396 3.577 20 0 EHADMM O=C([O-])C[C@H](NCc1ccccc1Br)c1ccsc1 ZINC000426716791 1022984520 /nfs/dbraw/zinc/98/45/20/1022984520.db2.gz YIOJJUINAUXWET-ZDUSSCGKSA-N -1 1 340.242 3.816 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000438792679 1023008493 /nfs/dbraw/zinc/00/84/93/1023008493.db2.gz QMYHWGBUAMWCEL-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM CCOc1cc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)cc(Cl)c1[O-] ZINC000189343988 1023012051 /nfs/dbraw/zinc/01/20/51/1023012051.db2.gz JENPCDWLXOTECU-SNVBAGLBSA-N -1 1 349.818 3.864 20 0 EHADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000476260642 1033096004 /nfs/dbraw/zinc/09/60/04/1033096004.db2.gz ZYZTWIJNDVYMEM-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(Cl)c2F)c1 ZINC000426782839 1023042163 /nfs/dbraw/zinc/04/21/63/1023042163.db2.gz HUAKHVWFKNNKLO-OAHLLOKOSA-N -1 1 337.778 3.793 20 0 EHADMM C[C@H](c1ccc(Br)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000427164578 1023252998 /nfs/dbraw/zinc/25/29/98/1023252998.db2.gz XCTIWNSKOVRQAM-SNVBAGLBSA-N -1 1 341.226 3.690 20 0 EHADMM CCc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000198882692 1033121432 /nfs/dbraw/zinc/12/14/32/1033121432.db2.gz RNCZJRYPUDRPDK-UHFFFAOYSA-N -1 1 337.419 3.690 20 0 EHADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)cc1Br ZINC000608365213 1024021822 /nfs/dbraw/zinc/02/18/22/1024021822.db2.gz BGEBOEZISVQHCX-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC000033594484 1024082905 /nfs/dbraw/zinc/08/29/05/1024082905.db2.gz KBMAUVDMLUKTPK-UHFFFAOYSA-N -1 1 332.208 3.808 20 0 EHADMM CC(C)c1cc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)no1 ZINC000156609752 1024200870 /nfs/dbraw/zinc/20/08/70/1024200870.db2.gz QCYCCOSGRHMPOX-UHFFFAOYSA-N -1 1 346.387 3.632 20 0 EHADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896885563 1024285543 /nfs/dbraw/zinc/28/55/43/1024285543.db2.gz TVUUMJSNBVFAOM-GFCCVEGCSA-N -1 1 333.453 3.855 20 0 EHADMM Cc1cnc(C(=O)N(C2CC2)C2CC(c3ccccc3C)C2)c([O-])c1 ZINC000330221841 1024360212 /nfs/dbraw/zinc/36/02/12/1024360212.db2.gz LZXCLWXUORTSCF-UHFFFAOYSA-N -1 1 336.435 3.955 20 0 EHADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccc(F)c(Br)c1 ZINC001225765521 1024483774 /nfs/dbraw/zinc/48/37/74/1024483774.db2.gz MJIJCXWZCARNOX-LURJTMIESA-N -1 1 345.193 3.513 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CCC1 ZINC001211884609 1024608082 /nfs/dbraw/zinc/60/80/82/1024608082.db2.gz VOZSPTCCLMMHMD-UHFFFAOYSA-N -1 1 325.405 3.677 20 0 EHADMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1coc(C2CCCCC2)n1 ZINC000548602605 1024657191 /nfs/dbraw/zinc/65/71/91/1024657191.db2.gz AMGDNUYYZNROGB-UHFFFAOYSA-N -1 1 345.790 3.671 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1cc2cccnc2c(OC)c1 ZINC000427654990 1024695618 /nfs/dbraw/zinc/69/56/18/1024695618.db2.gz QAIZMDJKRJXXDH-UHFFFAOYSA-N -1 1 342.420 3.607 20 0 EHADMM CCC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCC1 ZINC000435435274 1024924955 /nfs/dbraw/zinc/92/49/55/1024924955.db2.gz ATTZBTXBHSIDFW-UHFFFAOYSA-N -1 1 326.220 3.744 20 0 EHADMM [O-]c1cccc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1Cl ZINC000508171586 1024935738 /nfs/dbraw/zinc/93/57/38/1024935738.db2.gz HWCHTAHKNZJQPE-INIZCTEOSA-N -1 1 339.769 3.897 20 0 EHADMM O=C(C[C@@H]1C=CCCC1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000515341305 1025178135 /nfs/dbraw/zinc/17/81/35/1025178135.db2.gz MZPUCNXFVMTLQH-SNVBAGLBSA-N -1 1 332.791 3.516 20 0 EHADMM O=C(C[C@@H]1C=CCCC1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000515341305 1025178139 /nfs/dbraw/zinc/17/81/39/1025178139.db2.gz MZPUCNXFVMTLQH-SNVBAGLBSA-N -1 1 332.791 3.516 20 0 EHADMM COc1cnc([C@H]2CCCN2C/C=C\c2ccc(Cl)cc2)[n-]c1=O ZINC000934269923 1025183118 /nfs/dbraw/zinc/18/31/18/1025183118.db2.gz COUGZHHLNXIFRQ-NSRYLSIASA-N -1 1 345.830 3.695 20 0 EHADMM CC(C)n1cc([C@H](C)NC(=O)c2ccc3ccc(O)cc3c2[O-])cn1 ZINC000896325957 1025342145 /nfs/dbraw/zinc/34/21/45/1025342145.db2.gz JNRWXUJXIHCPNC-LBPRGKRZSA-N -1 1 339.395 3.519 20 0 EHADMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1cccs1 ZINC000007337482 1025522199 /nfs/dbraw/zinc/52/21/99/1025522199.db2.gz KURORLMMUUUSID-ZSOIEALJSA-N -1 1 347.417 3.660 20 0 EHADMM O=C(CCSc1nc(C2CC2)cc(=O)[n-]1)Nc1cccc(Cl)c1 ZINC000436265498 1025523804 /nfs/dbraw/zinc/52/38/04/1025523804.db2.gz XXESFEYAVLSJTN-UHFFFAOYSA-N -1 1 349.843 3.834 20 0 EHADMM COc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc(Cl)c1[O-] ZINC000347175440 1025618030 /nfs/dbraw/zinc/61/80/30/1025618030.db2.gz DSPFBQFHIZXLGF-OAHLLOKOSA-N -1 1 331.799 3.814 20 0 EHADMM CC[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442967819 1025627747 /nfs/dbraw/zinc/62/77/47/1025627747.db2.gz OLEJDHVHOZUXJF-AWEZNQCLSA-N -1 1 333.815 3.805 20 0 EHADMM COc1cc(C(=O)NC[C@H](C)c2cccc(C)c2)cc(Cl)c1[O-] ZINC000442980986 1025644536 /nfs/dbraw/zinc/64/45/36/1025644536.db2.gz SSETYVYMCWDUTO-LBPRGKRZSA-N -1 1 333.815 3.896 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N(C)C)ccc1OC(C)C ZINC000521901313 1025754231 /nfs/dbraw/zinc/75/42/31/1025754231.db2.gz FEHWJBZESUHFST-UHFFFAOYSA-N -1 1 348.468 3.649 20 0 EHADMM O=C(Nc1ccc(N2CCC2=O)cc1)c1cc2ccccc2cc1[O-] ZINC000436487809 1025790678 /nfs/dbraw/zinc/79/06/78/1025790678.db2.gz KUUNAMIONYOBLG-UHFFFAOYSA-N -1 1 332.359 3.534 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000436515868 1025814956 /nfs/dbraw/zinc/81/49/56/1025814956.db2.gz UDCXJNVVOCFJMO-UHFFFAOYSA-N -1 1 345.738 3.831 20 0 EHADMM CCC[C@H]1SCCN1C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436522728 1025824374 /nfs/dbraw/zinc/82/43/74/1025824374.db2.gz NKHCNAYQUHQFOD-CYBMUJFWSA-N -1 1 329.849 3.760 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2coc3cc(C)c(C)cc23)c1 ZINC000436516241 1025849483 /nfs/dbraw/zinc/84/94/83/1025849483.db2.gz 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O=C(CSc1cc2c(cc1Cl)OCCO2)c1ccc([O-])cc1 ZINC000524290798 1029045754 /nfs/dbraw/zinc/04/57/54/1029045754.db2.gz AQEHJQUTPUBLLV-UHFFFAOYSA-N -1 1 336.796 3.792 20 0 EHADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000445695935 1029059958 /nfs/dbraw/zinc/05/99/58/1029059958.db2.gz AQMBDVUAMOEGCD-SNVBAGLBSA-N -1 1 347.761 3.734 20 0 EHADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000524812796 1029531948 /nfs/dbraw/zinc/53/19/48/1029531948.db2.gz MPHLGYCRCSTZAK-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000648585105 1029626535 /nfs/dbraw/zinc/62/65/35/1029626535.db2.gz QKEVZOKKEDVARC-DIFFPNOSSA-N -1 1 349.789 3.787 20 0 EHADMM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1Br ZINC000525016581 1029652300 /nfs/dbraw/zinc/65/23/00/1029652300.db2.gz ZOWPIQCCFSIZOM-UHFFFAOYSA-N -1 1 332.244 3.620 20 0 EHADMM Cc1ccc(Nc2nc(CN3C[C@@H](C)C[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000263110616 1029667181 /nfs/dbraw/zinc/66/71/81/1029667181.db2.gz 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ZINC000447503979 1030232967 /nfs/dbraw/zinc/23/29/67/1030232967.db2.gz JCRLFDFQYMKWKI-UHFFFAOYSA-N -1 1 343.452 3.538 20 0 EHADMM Cc1ccc2ccccc2c1CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000447503979 1030232980 /nfs/dbraw/zinc/23/29/80/1030232980.db2.gz JCRLFDFQYMKWKI-UHFFFAOYSA-N -1 1 343.452 3.538 20 0 EHADMM O=C(NCc1csc(-c2ccccc2)n1)c1c([O-])cccc1F ZINC000121587752 1030302793 /nfs/dbraw/zinc/30/27/93/1030302793.db2.gz OYZIQBKMKMHDJP-UHFFFAOYSA-N -1 1 328.368 3.585 20 0 EHADMM COc1cc(C(=O)N[C@H]2CCc3c2cccc3C)cc(Cl)c1[O-] ZINC000526947263 1030496368 /nfs/dbraw/zinc/49/63/68/1030496368.db2.gz FDZDQAOYVCTXDU-HNNXBMFYSA-N -1 1 331.799 3.780 20 0 EHADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cccc2c1OCCC2 ZINC000583702979 1030502253 /nfs/dbraw/zinc/50/22/53/1030502253.db2.gz JURVUAPHHOPJPU-UHFFFAOYSA-N -1 1 337.828 3.607 20 0 EHADMM COc1cc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)cc(Cl)c1[O-] ZINC000527203273 1030705587 /nfs/dbraw/zinc/70/55/87/1030705587.db2.gz ZKCRGEFTGOYMAW-GFCCVEGCSA-N -1 1 339.741 3.761 20 0 EHADMM CCC(CC)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000615214209 1030877954 /nfs/dbraw/zinc/87/79/54/1030877954.db2.gz VGBQOHLYFBASSO-INIZCTEOSA-N -1 1 336.457 3.747 20 0 EHADMM CCc1[n-][nH]c(=NC(=O)C2(CC(C)C)CCCC2)c1Br ZINC000448316473 1030935888 /nfs/dbraw/zinc/93/58/88/1030935888.db2.gz VJLZFMXIMYZKDH-UHFFFAOYSA-N -1 1 342.281 3.702 20 0 EHADMM CC[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)cc1F ZINC000343486547 1031095280 /nfs/dbraw/zinc/09/52/80/1031095280.db2.gz YVUGVMOVDLRXRF-LBPRGKRZSA-N -1 1 327.277 3.830 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(F)c3C)c2C1 ZINC000174709101 1031247831 /nfs/dbraw/zinc/24/78/31/1031247831.db2.gz LTPDCUSBTUIVMU-UHFFFAOYSA-N -1 1 348.443 3.661 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1C ZINC000477408497 1031526080 /nfs/dbraw/zinc/52/60/80/1031526080.db2.gz XUGXAZIRYBZDFP-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CC(C)c1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000904001683 1031587984 /nfs/dbraw/zinc/58/79/84/1031587984.db2.gz DFQKCXQPZVDXEI-GOSISDBHSA-N -1 1 337.423 3.992 20 0 EHADMM CC(C)(C)c1coc(CNCCC[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000903996532 1031594936 /nfs/dbraw/zinc/59/49/36/1031594936.db2.gz GRLHJINJMQPGDE-MRXNPFEDSA-N -1 1 344.455 3.785 20 0 EHADMM CCOc1cc(CN[C@H](CC(=O)[O-])c2ccccc2F)ccc1OC ZINC000904044786 1031665425 /nfs/dbraw/zinc/66/54/25/1031665425.db2.gz DKFSQUCORAFFTB-MRXNPFEDSA-N -1 1 347.386 3.539 20 0 EHADMM COc1ccc([C@@H](NC(=O)c2ccc([O-])cc2F)C(F)(F)F)cc1 ZINC000163826586 1031969840 /nfs/dbraw/zinc/96/98/40/1031969840.db2.gz HENZIIYRQKMPFM-CQSZACIVSA-N -1 1 343.276 3.573 20 0 EHADMM CCCn1c2ccccc2nc1C[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000904401262 1032016973 /nfs/dbraw/zinc/01/69/73/1032016973.db2.gz NOQYFYFSAQNBEZ-IBGZPJMESA-N -1 1 329.444 3.523 20 0 EHADMM COc1ccc(S[C@@H](C)C(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001142542849 1033412197 /nfs/dbraw/zinc/41/21/97/1033412197.db2.gz VYHGLXKYOYTPFX-VIFPVBQESA-N -1 1 339.363 3.798 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000105389283 1033455372 /nfs/dbraw/zinc/45/53/72/1033455372.db2.gz VQKQSKWUDDVQSL-UHFFFAOYSA-N -1 1 348.424 3.834 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1C(F)(F)F ZINC000608342338 1033620791 /nfs/dbraw/zinc/62/07/91/1033620791.db2.gz FYFVGAGMQDPTMO-UHFFFAOYSA-N -1 1 349.305 3.659 20 0 EHADMM CC[C@H](CC1CCCC1)C(=O)NN=c1c(F)c(F)[n-]c(F)c1F ZINC000074686396 1033623805 /nfs/dbraw/zinc/62/38/05/1033623805.db2.gz KWAHMHPGWVTLDJ-SECBINFHSA-N -1 1 333.329 3.688 20 0 EHADMM Cc1c(C(=O)Nc2c([O-])cccc2F)cnn1-c1cccc(C)c1 ZINC000608366087 1033640569 /nfs/dbraw/zinc/64/05/69/1033640569.db2.gz NFKQOHGAYKHKKA-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM O=C(OCc1ncc(C2CC2)o1)c1ccc(Cl)c(Cl)c1[O-] ZINC000760513541 1033695283 /nfs/dbraw/zinc/69/52/83/1033695283.db2.gz BXARJOUZAKADQE-UHFFFAOYSA-N -1 1 328.151 3.921 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1ccc(F)cc1Cl ZINC000431626933 1033801631 /nfs/dbraw/zinc/80/16/31/1033801631.db2.gz YANADMMHCIXPNB-CYBMUJFWSA-N -1 1 349.761 3.764 20 0 EHADMM CSc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(Cl)cc1Cl ZINC000646413214 1034116630 /nfs/dbraw/zinc/11/66/30/1034116630.db2.gz VLLYRRZNVPHXFI-UHFFFAOYSA-N -1 1 332.212 3.705 20 0 EHADMM O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccc([O-])c(Cl)c1 ZINC000635721425 1034121112 /nfs/dbraw/zinc/12/11/12/1034121112.db2.gz MIMBYACFSRVKQA-UHFFFAOYSA-N -1 1 341.745 3.696 20 0 EHADMM CO[C@@H]1COCC[C@H]1CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538555 1034169378 /nfs/dbraw/zinc/16/93/78/1034169378.db2.gz DSMHSCLXNNUQPC-MEDUHNTESA-N -1 1 349.814 3.579 20 0 EHADMM CCSC1(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000596510728 1034269229 /nfs/dbraw/zinc/26/92/29/1034269229.db2.gz GLXYSIQSAFCYTE-UHFFFAOYSA-N -1 1 330.457 3.559 20 0 EHADMM CO[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C12CCC2 ZINC000456675837 1034634174 /nfs/dbraw/zinc/63/41/74/1034634174.db2.gz ZXIDTKXHJXHKFA-QZTJIDSGSA-N -1 1 325.408 3.575 20 0 EHADMM O=C(COc1ccc(Cl)c2cccnc12)Nc1c([O-])cccc1F ZINC000605440530 1034735303 /nfs/dbraw/zinc/73/53/03/1034735303.db2.gz UGPUHHUPHRJQDX-UHFFFAOYSA-N -1 1 346.745 3.750 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cc(F)cc(Br)c1 ZINC000605437825 1034736598 /nfs/dbraw/zinc/73/65/98/1034736598.db2.gz ATTZZYNCSSRXEJ-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1csc(-c2cccs2)n1 ZINC000530180431 1035036179 /nfs/dbraw/zinc/03/61/79/1035036179.db2.gz ZPNABINZAGKFNB-GHMZBOCLSA-N -1 1 336.482 3.945 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1csc(-c2ccsc2)n1 ZINC000530176358 1035049790 /nfs/dbraw/zinc/04/97/90/1035049790.db2.gz SREWVWZXZWRHNC-PTEHBNRSSA-N -1 1 336.482 3.945 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000647485921 1035064482 /nfs/dbraw/zinc/06/44/82/1035064482.db2.gz ANQIJINMPJEWQR-CQSZACIVSA-N -1 1 326.371 3.551 20 0 EHADMM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC000571463506 1035502277 /nfs/dbraw/zinc/50/22/77/1035502277.db2.gz BBLRJYVBSWWEFN-GJZGRUSLSA-N -1 1 346.254 3.866 20 0 EHADMM Cc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)[n-]c(=O)c1C ZINC000540720565 1035609696 /nfs/dbraw/zinc/60/96/96/1035609696.db2.gz WMSWZPVNHXHGLN-UHFFFAOYSA-N -1 1 332.469 3.677 20 0 EHADMM CCc1onc(C)c1[N-]C(=O)c1c(C)onc1-c1cccc(F)c1 ZINC001127258011 1035820608 /nfs/dbraw/zinc/82/06/08/1035820608.db2.gz PAZWJTIKBQYFFM-UHFFFAOYSA-N -1 1 329.331 3.900 20 0 EHADMM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccccc1[O-] ZINC000174104452 1035874357 /nfs/dbraw/zinc/87/43/57/1035874357.db2.gz VCPAHNLULCEZCA-UHFFFAOYSA-N -1 1 327.380 3.529 20 0 EHADMM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1c(F)ccc([O-])c1F ZINC000685885060 1035883955 /nfs/dbraw/zinc/88/39/55/1035883955.db2.gz CMKSJCTZMQOOBM-MRVPVSSYSA-N -1 1 329.755 3.803 20 0 EHADMM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613481553 1036043902 /nfs/dbraw/zinc/04/39/02/1036043902.db2.gz OLTJPOVCVJBDJG-SUMWQHHRSA-N -1 1 333.391 3.559 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C ZINC000535344365 1036369810 /nfs/dbraw/zinc/36/98/10/1036369810.db2.gz JPGKVRZYCQLKAU-UHFFFAOYSA-N -1 1 331.437 3.924 20 0 EHADMM C[S@@](=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000175529414 1036401740 /nfs/dbraw/zinc/40/17/40/1036401740.db2.gz YDGWVCFXIMBLHT-HSZRJFAPSA-N -1 1 325.389 3.535 20 0 EHADMM Cc1nc(-c2cccc(NC(=O)Nc3ccc([O-])c(Cl)c3)c2)n[nH]1 ZINC000192213012 1036507013 /nfs/dbraw/zinc/50/70/13/1036507013.db2.gz AYFVVUBSZZUJNX-UHFFFAOYSA-N -1 1 343.774 3.783 20 0 EHADMM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000175927420 1036625909 /nfs/dbraw/zinc/62/59/09/1036625909.db2.gz YPYNMZBWLRFJDV-OAHLLOKOSA-N -1 1 338.741 3.910 20 0 EHADMM O=C([N-]NC(=O)c1ccc2ccccc2c1)c1cc(Cl)ccc1F ZINC000057095736 1036685207 /nfs/dbraw/zinc/68/52/07/1036685207.db2.gz LXZZYGNJYRGXAL-UHFFFAOYSA-N -1 1 342.757 3.707 20 0 EHADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000475826949 1036685575 /nfs/dbraw/zinc/68/55/75/1036685575.db2.gz JHXHNBBZZUYVIM-UHFFFAOYSA-N -1 1 341.791 3.873 20 0 EHADMM CCOc1cc(C(=O)Nc2cc(OC)ccc2F)cc(Cl)c1[O-] ZINC000186859756 1037079231 /nfs/dbraw/zinc/07/92/31/1037079231.db2.gz UOOXWNRNOCIEKH-UHFFFAOYSA-N -1 1 339.750 3.844 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@@H]3CCC[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000462836665 1037461343 /nfs/dbraw/zinc/46/13/43/1037461343.db2.gz FTLAITAKBHKEFD-CJNGLKHVSA-N -1 1 340.471 3.911 20 0 EHADMM O=C(Nc1cccc(-c2nc3cccc(F)c3c(=O)[n-]2)c1)c1ccco1 ZINC000591726304 1037569526 /nfs/dbraw/zinc/56/95/26/1037569526.db2.gz IHUMLEQTUINSCA-UHFFFAOYSA-N -1 1 349.321 3.987 20 0 EHADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCc2sccc2C1 ZINC000058205284 1037605643 /nfs/dbraw/zinc/60/56/43/1037605643.db2.gz SRANKVRKFNTOCQ-UHFFFAOYSA-N -1 1 348.522 3.670 20 0 EHADMM Cc1c(=O)[n-]c(SCC(=O)C2CCCCC2)nc1-c1ccccc1 ZINC000163892392 1037992468 /nfs/dbraw/zinc/99/24/68/1037992468.db2.gz FTVBQZDQSFPFOB-UHFFFAOYSA-N -1 1 342.464 3.987 20 0 EHADMM O=C(Nc1ccccc1-c1nc[nH]n1)c1cc2ccccc2cc1[O-] ZINC000378433627 1038619333 /nfs/dbraw/zinc/61/93/33/1038619333.db2.gz YNSDKINOVVDBSE-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM Cc1cc(C)cc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000500493922 1038829411 /nfs/dbraw/zinc/82/94/11/1038829411.db2.gz YMYUMJNFRABWIJ-NSHDSACASA-N -1 1 343.370 3.760 20 0 EHADMM F[C@@H]1CC[C@H](N=c2[n-]c(C(F)(F)F)c(Br)s2)C1 ZINC000418977195 1039193131 /nfs/dbraw/zinc/19/31/31/1039193131.db2.gz VQTANTTTZZSOIU-UHNVWZDZSA-N -1 1 333.148 3.649 20 0 EHADMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])c(C)n1CC(F)(F)F ZINC000910980202 1039177250 /nfs/dbraw/zinc/17/72/50/1039177250.db2.gz QZWZHIBVGHRBLR-UHFFFAOYSA-N -1 1 348.271 3.903 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCCCC(F)(F)C1)c1cc2ccccc2o1 ZINC000584756107 1039713534 /nfs/dbraw/zinc/71/35/34/1039713534.db2.gz BVKPJAXRGSESSQ-GFCCVEGCSA-N -1 1 343.395 3.927 20 0 EHADMM Cc1cnc(C(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000473325445 1039750896 /nfs/dbraw/zinc/75/08/96/1039750896.db2.gz ANUHVLOJUVIUSJ-UHFFFAOYSA-N -1 1 344.842 3.943 20 0 EHADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000479116966 1039989900 /nfs/dbraw/zinc/98/99/00/1039989900.db2.gz WJTIYBFCTCXWPA-UHFFFAOYSA-N -1 1 341.436 3.551 20 0 EHADMM O=C([O-])C[C@H](CNCc1c(Cl)cccc1Cl)C(F)(F)F ZINC000417617103 1040067719 /nfs/dbraw/zinc/06/77/19/1040067719.db2.gz BNXCWPPKWASLMA-SSDOTTSWSA-N -1 1 330.133 3.736 20 0 EHADMM COc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000417617751 1040068512 /nfs/dbraw/zinc/06/85/12/1040068512.db2.gz CKXAPPSKINDDPD-RDJZCZTQSA-N -1 1 331.799 3.751 20 0 EHADMM CCOC[C@@H](NCc1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000417664849 1040130126 /nfs/dbraw/zinc/13/01/26/1040130126.db2.gz ZEGDNPPSLGGKFF-CQSZACIVSA-N -1 1 339.844 3.648 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000899178049 1040132281 /nfs/dbraw/zinc/13/22/81/1040132281.db2.gz GIOUXSMUPODKHX-NSHDSACASA-N -1 1 339.313 3.666 20 0 EHADMM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1cc2ccccc2o1 ZINC000555403321 1040537269 /nfs/dbraw/zinc/53/72/69/1040537269.db2.gz LLIFJAQAMDWTFO-HNNXBMFYSA-N -1 1 349.452 3.593 20 0 EHADMM CCN(CC)[C@@H](CNc1ncccc1C(=O)[O-])c1ccccc1Cl ZINC000614259352 1040853925 /nfs/dbraw/zinc/85/39/25/1040853925.db2.gz IBVOUWVBKBEMQL-INIZCTEOSA-N -1 1 347.846 3.928 20 0 EHADMM CC[C@@H](C)[C@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000126215619 1040927541 /nfs/dbraw/zinc/92/75/41/1040927541.db2.gz GFPXFCZDWKSRMM-KGLIPLIRSA-N -1 1 346.500 3.857 20 0 EHADMM O=C([N-]c1nnc(-c2ccco2)s1)c1ncoc1-c1ccccc1 ZINC000601467753 1040992920 /nfs/dbraw/zinc/99/29/20/1040992920.db2.gz KDRMMPKMTQSLHI-UHFFFAOYSA-N -1 1 338.348 3.705 20 0 EHADMM Cc1nc(CC(C)C)c(C(=O)Nc2cc([O-])c(F)cc2F)s1 ZINC000909983003 1041107249 /nfs/dbraw/zinc/10/72/49/1041107249.db2.gz PAINXNAYKLGURR-UHFFFAOYSA-N -1 1 326.368 3.886 20 0 EHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000614319054 1041161166 /nfs/dbraw/zinc/16/11/66/1041161166.db2.gz RQVFDNBBXQZZMJ-IMJJTQAJSA-N -1 1 337.847 3.591 20 0 EHADMM CC(C)(C)OC(=O)CCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000594369712 1042093870 /nfs/dbraw/zinc/09/38/70/1042093870.db2.gz YKDXJTNHDMAYQD-UHFFFAOYSA-N -1 1 329.343 3.511 20 0 EHADMM O=C([O-])c1cccnc1CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000652410053 1042461185 /nfs/dbraw/zinc/46/11/85/1042461185.db2.gz XEKOQGTYYSJITO-LJQANCHMSA-N -1 1 335.407 3.988 20 0 EHADMM O=C([O-])CCN(CCCOc1ccccc1)Cc1cccc(F)c1F ZINC000652483828 1042501072 /nfs/dbraw/zinc/50/10/72/1042501072.db2.gz WRBLPDOLIIGPBK-UHFFFAOYSA-N -1 1 349.377 3.711 20 0 EHADMM C[C@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C2(CCC2)CO1 ZINC000652511189 1042515424 /nfs/dbraw/zinc/51/54/24/1042515424.db2.gz QVMSJZPHYPYYSB-LBPRGKRZSA-N -1 1 331.437 3.743 20 0 EHADMM C[C@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])C2(CCC2)CO1 ZINC000652511189 1042515427 /nfs/dbraw/zinc/51/54/27/1042515427.db2.gz QVMSJZPHYPYYSB-LBPRGKRZSA-N -1 1 331.437 3.743 20 0 EHADMM COc1cc(OC)cc(-c2noc([N-][C@@H](C)c3nc(C)cs3)n2)c1 ZINC000663533061 1042977354 /nfs/dbraw/zinc/97/73/54/1042977354.db2.gz LPTKERPFMIBVMU-JTQLQIEISA-N -1 1 346.412 3.692 20 0 EHADMM COc1cc(OC)cc(-c2noc([N-][C@@H](C)c3ncc(C)s3)n2)c1 ZINC000663698145 1043659527 /nfs/dbraw/zinc/65/95/27/1043659527.db2.gz VGCOHEGFPRWIEC-JTQLQIEISA-N -1 1 346.412 3.692 20 0 EHADMM COc1cc(C(=O)NC[C@@H]2CCCc3ccccc32)cc(Cl)c1[O-] ZINC000153540341 1125628425 /nfs/dbraw/zinc/62/84/25/1125628425.db2.gz IJLQPSZROQAHMW-ZDUSSCGKSA-N -1 1 345.826 3.904 20 0 EHADMM Cc1ccsc1CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000622483135 1126708889 /nfs/dbraw/zinc/70/88/89/1126708889.db2.gz UEYIRFVIDIMDSZ-UHFFFAOYSA-N -1 1 329.343 3.753 20 0 EHADMM CC(C)c1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC000622575927 1126726576 /nfs/dbraw/zinc/72/65/76/1126726576.db2.gz HRSMBSYDQXUPFD-UHFFFAOYSA-N -1 1 325.290 3.577 20 0 EHADMM O=C(NCc1cccc(C(F)(F)F)n1)c1cc2ccccc2cc1[O-] ZINC000622632503 1126734140 /nfs/dbraw/zinc/73/41/40/1126734140.db2.gz YYXCLQLFARUKAR-UHFFFAOYSA-N -1 1 346.308 3.889 20 0 EHADMM C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000623207631 1126895941 /nfs/dbraw/zinc/89/59/41/1126895941.db2.gz YQAQUOCXHUINBQ-XCBNKYQSSA-N -1 1 340.210 3.727 20 0 EHADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)s1 ZINC000179373624 1127060117 /nfs/dbraw/zinc/06/01/17/1127060117.db2.gz JWSKWQYPSDNLLG-UHFFFAOYSA-N -1 1 337.253 3.868 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)c(F)c1 ZINC000350843170 1127107034 /nfs/dbraw/zinc/10/70/34/1127107034.db2.gz QHCSZTHIFWMGEQ-NSHDSACASA-N -1 1 333.344 3.556 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1Cl ZINC000181200495 1127269864 /nfs/dbraw/zinc/26/98/64/1127269864.db2.gz OJUYKUDIDJHLPP-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM COc1cc(C(=O)[N-]c2nc(-c3ccc4c(c3)CCC4)cs2)on1 ZINC000183373182 1127375272 /nfs/dbraw/zinc/37/52/72/1127375272.db2.gz KLKGFLOLPMHRAG-UHFFFAOYSA-N -1 1 341.392 3.548 20 0 EHADMM CCOCCC1(C(=O)OCCc2cc(C(C)=O)ccc2[O-])CCCC1 ZINC000764128748 1127447142 /nfs/dbraw/zinc/44/71/42/1127447142.db2.gz MSXWRLXXTSURTQ-UHFFFAOYSA-N -1 1 348.439 3.668 20 0 EHADMM Cc1cc(C)cc(CN(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000765638232 1127717250 /nfs/dbraw/zinc/71/72/50/1127717250.db2.gz XXCYTKCNQTUDCX-UHFFFAOYSA-N -1 1 327.428 3.503 20 0 EHADMM CCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000102635704 1127747192 /nfs/dbraw/zinc/74/71/92/1127747192.db2.gz CEVDDZZAHAMKKO-UHFFFAOYSA-N -1 1 346.452 3.862 20 0 EHADMM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H](C)C2CCCC2)[nH]1 ZINC001127966927 1127757726 /nfs/dbraw/zinc/75/77/26/1127757726.db2.gz RLTBJDSNRCFGML-LBPRGKRZSA-N -1 1 335.448 3.694 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)cc2o1 ZINC000078235836 1127900857 /nfs/dbraw/zinc/90/08/57/1127900857.db2.gz VPBJWQARUZBMGB-UHFFFAOYSA-N -1 1 334.372 3.693 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000067659727 1128245791 /nfs/dbraw/zinc/24/57/91/1128245791.db2.gz KJDVYPPHAOFDID-UHFFFAOYSA-N -1 1 344.358 3.770 20 0 EHADMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068074864 1128258258 /nfs/dbraw/zinc/25/82/58/1128258258.db2.gz MPAIXQVPFUMFMD-UHFFFAOYSA-N -1 1 331.437 3.815 20 0 EHADMM Cc1cc(Br)oc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000068072247 1128258326 /nfs/dbraw/zinc/25/83/26/1128258326.db2.gz QQLKKZKENBXVMC-UHFFFAOYSA-N -1 1 344.234 3.752 20 0 EHADMM Cc1c2cc(F)ccc2oc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640087 1128223077 /nfs/dbraw/zinc/22/30/77/1128223077.db2.gz DYFWMTLBDPSLBS-UHFFFAOYSA-N -1 1 348.403 3.645 20 0 EHADMM CC(C)C[C@@H](C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000069371757 1128286680 /nfs/dbraw/zinc/28/66/80/1128286680.db2.gz LWOXKJCQJXQGEI-OAHLLOKOSA-N -1 1 331.456 3.886 20 0 EHADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1 ZINC000073743427 1128327883 /nfs/dbraw/zinc/32/78/83/1128327883.db2.gz WHWCIDDGILCWLU-UHFFFAOYSA-N -1 1 339.844 3.638 20 0 EHADMM C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782844 1128357022 /nfs/dbraw/zinc/35/70/22/1128357022.db2.gz HTEKCFCPCBBYLL-IAQYHMDHSA-N -1 1 326.234 3.697 20 0 EHADMM Cc1c(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cnn1C ZINC000186369115 1128409576 /nfs/dbraw/zinc/40/95/76/1128409576.db2.gz CJWQUSZGDIPFFV-ZETCQYMHSA-N -1 1 328.185 3.509 20 0 EHADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116742902 1128747198 /nfs/dbraw/zinc/74/71/98/1128747198.db2.gz OFGVKQWZGMMGNW-ZETCQYMHSA-N -1 1 339.189 3.502 20 0 EHADMM CSc1nnc(Nc2cc(F)c([O-])c(Cl)c2)c(SC)n1 ZINC001214480627 1128815959 /nfs/dbraw/zinc/81/59/59/1128815959.db2.gz VTXSAIKZQFAJGE-UHFFFAOYSA-N -1 1 332.813 3.557 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000074934534 1128832478 /nfs/dbraw/zinc/83/24/78/1128832478.db2.gz KVIVNCYSLWBDMS-UHFFFAOYSA-N -1 1 331.315 3.515 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)c1 ZINC000074983587 1128836044 /nfs/dbraw/zinc/83/60/44/1128836044.db2.gz WLSWANAEWSVKCA-UHFFFAOYSA-N -1 1 347.436 3.867 20 0 EHADMM O=C(Nc1c[n-][nH]c1=O)c1csc(-c2cccc3ccccc32)n1 ZINC001648816284 1120047431 /nfs/dbraw/zinc/04/74/31/1120047431.db2.gz NJEDAMUEKBURQI-UHFFFAOYSA-N -1 1 336.376 3.644 20 0 EHADMM O=C(Cc1cc(Br)ccc1F)Nc1cccc(F)c1[O-] ZINC001648851066 1120054395 /nfs/dbraw/zinc/05/43/95/1120054395.db2.gz SXKIWJYRYKBLLG-UHFFFAOYSA-N -1 1 342.139 3.614 20 0 EHADMM Cc1cnc(C(=O)N[C@@H](CCc2ccccc2)c2ccccn2)c([O-])c1 ZINC001648860411 1120056728 /nfs/dbraw/zinc/05/67/28/1120056728.db2.gz CMIKNIMGQIUPMH-SFHVURJKSA-N -1 1 347.418 3.595 20 0 EHADMM C[C@H]1CC(NC(=O)c2ccc(Br)cc2[O-])C[C@H](C)C1 ZINC000084978920 1120108375 /nfs/dbraw/zinc/10/83/75/1120108375.db2.gz BOSYINHFRGUHNR-NXEZZACHSA-N -1 1 326.234 3.709 20 0 EHADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000188948744 1120518944 /nfs/dbraw/zinc/51/89/44/1120518944.db2.gz YZWDSPBMCWDTKU-UHFFFAOYSA-N -1 1 346.452 3.959 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189223514 1120561304 /nfs/dbraw/zinc/56/13/04/1120561304.db2.gz RQZDNEKKRHJHHR-UHFFFAOYSA-N -1 1 329.343 3.901 20 0 EHADMM Cc1ccc(C)c(CN(C)Cn2[n-]c(-c3ccccn3)nc2=S)c1 ZINC000762053713 1121079817 /nfs/dbraw/zinc/07/98/17/1121079817.db2.gz WXJYUBGRTBDHQD-UHFFFAOYSA-N -1 1 339.468 3.709 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cncc([O-])c2)c1 ZINC000495604364 1121304431 /nfs/dbraw/zinc/30/44/31/1121304431.db2.gz RPGMWOQRPCRAQU-UHFFFAOYSA-N -1 1 347.346 3.526 20 0 EHADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc2ccccc2c1[O-] ZINC000762681137 1121409410 /nfs/dbraw/zinc/40/94/10/1121409410.db2.gz QADLDVNJOYZFLW-BFYDXBDKSA-N -1 1 345.489 3.655 20 0 EHADMM Cc1sc(Cl)nc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000762846188 1121453561 /nfs/dbraw/zinc/45/35/61/1121453561.db2.gz XWLNCKUJEFQOLL-UHFFFAOYSA-N -1 1 336.829 3.876 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1C ZINC000074838124 1121713187 /nfs/dbraw/zinc/71/31/87/1121713187.db2.gz IMAOCRIMXOPEIN-UHFFFAOYSA-N -1 1 346.408 3.562 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000055595239 1121842185 /nfs/dbraw/zinc/84/21/85/1121842185.db2.gz MHEKHJINXWTGJX-UHFFFAOYSA-N -1 1 331.437 3.513 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000055652278 1121850781 /nfs/dbraw/zinc/85/07/81/1121850781.db2.gz QIZLYMLIBMCGKP-UHFFFAOYSA-N -1 1 347.436 3.786 20 0 EHADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000063181330 1122276396 /nfs/dbraw/zinc/27/63/96/1122276396.db2.gz XKEJKYSDLDGUJS-UHFFFAOYSA-N -1 1 332.425 3.534 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1sccc1Br ZINC000067551905 1122520522 /nfs/dbraw/zinc/52/05/22/1122520522.db2.gz SPBZJVPFYGQVPT-UHFFFAOYSA-N -1 1 340.174 3.552 20 0 EHADMM Cc1cc2ccc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cn2c1 ZINC000672743419 1129061865 /nfs/dbraw/zinc/06/18/65/1129061865.db2.gz NTGVXCXBOMMBAY-UHFFFAOYSA-N -1 1 332.363 3.596 20 0 EHADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1cccc(Cl)c1 ZINC000497946353 1122709687 /nfs/dbraw/zinc/70/96/87/1122709687.db2.gz NNBZVUYVHVETHW-UHFFFAOYSA-N -1 1 337.828 3.930 20 0 EHADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccnc2C)cc1 ZINC000072913525 1123176348 /nfs/dbraw/zinc/17/63/48/1123176348.db2.gz YWNFMHZIARJAHN-UHFFFAOYSA-N -1 1 334.441 3.760 20 0 EHADMM [O-]c1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c(F)c1 ZINC000131940154 1123191381 /nfs/dbraw/zinc/19/13/81/1123191381.db2.gz CVPJHHPBZMRGTO-UHFFFAOYSA-N -1 1 340.358 3.634 20 0 EHADMM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2ccccc2c1[O-] ZINC000920004410 1123261134 /nfs/dbraw/zinc/26/11/34/1123261134.db2.gz IQTPZXAOMZKTKP-UHFFFAOYSA-N -1 1 331.327 3.904 20 0 EHADMM CCc1ccc(-c2ccc(CNC3(c4nnn[n-]4)CCCC3)o2)cc1 ZINC000499245995 1123304053 /nfs/dbraw/zinc/30/40/53/1123304053.db2.gz BTLNWZJSLFTSFL-UHFFFAOYSA-N -1 1 337.427 3.581 20 0 EHADMM CCc1ccc(-c2ccc(CNC3(c4nn[n-]n4)CCCC3)o2)cc1 ZINC000499245995 1123304056 /nfs/dbraw/zinc/30/40/56/1123304056.db2.gz BTLNWZJSLFTSFL-UHFFFAOYSA-N -1 1 337.427 3.581 20 0 EHADMM COc1ccc(Br)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000132854679 1123309403 /nfs/dbraw/zinc/30/94/03/1123309403.db2.gz PVPHBZYCRXZWDB-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM O=C(NCc1ccc(OC2CCCC2)nc1)c1c([O-])cccc1Cl ZINC000920453775 1123370739 /nfs/dbraw/zinc/37/07/39/1123370739.db2.gz FMCLKDBSRJMNFH-UHFFFAOYSA-N -1 1 346.814 3.692 20 0 EHADMM O=C(NCc1ccnc(OC2CCCC2)c1)c1c([O-])cccc1Cl ZINC000920447906 1123371024 /nfs/dbraw/zinc/37/10/24/1123371024.db2.gz YOSRHRYCMQUDCL-UHFFFAOYSA-N -1 1 346.814 3.692 20 0 EHADMM COC(=O)N(C)c1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000920463446 1123371683 /nfs/dbraw/zinc/37/16/83/1123371683.db2.gz WJWIDTGXLYOAHU-UHFFFAOYSA-N -1 1 342.395 3.971 20 0 EHADMM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1cc2ccccc2o1 ZINC000134158161 1123496428 /nfs/dbraw/zinc/49/64/28/1123496428.db2.gz FAEGREABLSROEQ-OAHLLOKOSA-N -1 1 331.368 3.538 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCCC2(C)C)cc1 ZINC000174956193 1123561561 /nfs/dbraw/zinc/56/15/61/1123561561.db2.gz LZWOPRVMBNGBMA-CQSZACIVSA-N -1 1 344.484 3.611 20 0 EHADMM COc1cc(C(=O)NC[C@H](c2cccnc2)C(C)C)cc(Cl)c1[O-] ZINC000135167003 1123588433 /nfs/dbraw/zinc/58/84/33/1123588433.db2.gz XZPXYIPPGJERTA-AWEZNQCLSA-N -1 1 348.830 3.619 20 0 EHADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C)ccc3F)c2C)o1 ZINC000135404606 1123609507 /nfs/dbraw/zinc/60/95/07/1123609507.db2.gz PSGFWRPUDJDLDY-UHFFFAOYSA-N -1 1 349.387 3.535 20 0 EHADMM CC(C)COC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000079204819 1123678209 /nfs/dbraw/zinc/67/82/09/1123678209.db2.gz IXXUWWHTGNFPAJ-UHFFFAOYSA-N -1 1 327.424 3.823 20 0 EHADMM Cc1ccc2oc(-c3noc(-c4cc5c(cc4[O-])OCO5)n3)cc2c1 ZINC000445755302 1123702371 /nfs/dbraw/zinc/70/23/71/1123702371.db2.gz BTRKYXPWIYSLRI-UHFFFAOYSA-N -1 1 336.303 3.893 20 0 EHADMM CCC[C@@H](NC(=O)CC1CCC(c2ccccc2)CC1)c1nn[n-]n1 ZINC000136672817 1123716974 /nfs/dbraw/zinc/71/69/74/1123716974.db2.gz YNCAVPARONKEJY-BDVYOWHSSA-N -1 1 341.459 3.521 20 0 EHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000080029859 1123735772 /nfs/dbraw/zinc/73/57/72/1123735772.db2.gz MZDGPROJWRUDTP-LLVKDONJSA-N -1 1 326.327 3.677 20 0 EHADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000080311111 1123750835 /nfs/dbraw/zinc/75/08/35/1123750835.db2.gz QOQFEUNOQUGCLG-UHFFFAOYSA-N -1 1 349.452 3.520 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1 ZINC000080311254 1123750880 /nfs/dbraw/zinc/75/08/80/1123750880.db2.gz MCIOKUOCOAXHBL-UHFFFAOYSA-N -1 1 344.392 3.515 20 0 EHADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000180015576 1123924522 /nfs/dbraw/zinc/92/45/22/1123924522.db2.gz ILRJYXZJZRLRNH-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2cc(F)ccc2F)n1 ZINC000078546258 1129160827 /nfs/dbraw/zinc/16/08/27/1129160827.db2.gz CBTWQVUROFJGGB-SECBINFHSA-N -1 1 338.379 3.776 20 0 EHADMM COc1cc(C(=O)NCCc2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000618163035 1125007143 /nfs/dbraw/zinc/00/71/43/1125007143.db2.gz QIPNVGHLHSILGJ-UHFFFAOYSA-N -1 1 333.815 3.644 20 0 EHADMM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000068077219 1129340093 /nfs/dbraw/zinc/34/00/93/1129340093.db2.gz CYWKZCCASQOEIW-UHFFFAOYSA-N -1 1 346.452 3.679 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000171330339 1130046719 /nfs/dbraw/zinc/04/67/19/1130046719.db2.gz MARXRBNPVRGVLD-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1CC ZINC000486096540 1130440908 /nfs/dbraw/zinc/44/09/08/1130440908.db2.gz WXJWQZKMGOMZCZ-UHFFFAOYSA-N -1 1 349.452 3.629 20 0 EHADMM CCc1cc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)ccc1Cl ZINC000741157729 1131581315 /nfs/dbraw/zinc/58/13/15/1131581315.db2.gz RNPDFNVDMMEKMR-UHFFFAOYSA-N -1 1 328.821 3.517 20 0 EHADMM CCc1cc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)ccc1Cl ZINC000741157729 1131581320 /nfs/dbraw/zinc/58/13/20/1131581320.db2.gz RNPDFNVDMMEKMR-UHFFFAOYSA-N -1 1 328.821 3.517 20 0 EHADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000743636448 1131956548 /nfs/dbraw/zinc/95/65/48/1131956548.db2.gz FNOHNLDITVKGMI-ZBEGNZNMSA-N -1 1 349.789 3.787 20 0 EHADMM Cc1cc(CO)cc(Nc2ccc(F)c(Br)c2[O-])c1 ZINC001212757722 1132145517 /nfs/dbraw/zinc/14/55/17/1132145517.db2.gz HTKMQFIIPZMVCB-UHFFFAOYSA-N -1 1 326.165 3.838 20 0 EHADMM CC[C@@H](Cc1ccccc1)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000745008084 1132176074 /nfs/dbraw/zinc/17/60/74/1132176074.db2.gz ADCGRPKDBUWJGI-KRWDZBQOSA-N -1 1 340.419 3.949 20 0 EHADMM COc1ccc(Nc2c(Cl)ccc(Br)c2[O-])cn1 ZINC001173961376 1132184437 /nfs/dbraw/zinc/18/44/37/1132184437.db2.gz MTFNOCMNKOXYOS-UHFFFAOYSA-N -1 1 329.581 3.955 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(OC)c(Cl)c2)c1 ZINC001174153173 1132256975 /nfs/dbraw/zinc/25/69/75/1132256975.db2.gz RVBMSVVACAZOIZ-UHFFFAOYSA-N -1 1 341.816 3.591 20 0 EHADMM COc1cc(Nc2ccncc2Oc2ccccc2)ccc1C(=O)[O-] ZINC001174680871 1132435211 /nfs/dbraw/zinc/43/52/11/1132435211.db2.gz FVHGITATYDRSHH-UHFFFAOYSA-N -1 1 336.347 3.746 20 0 EHADMM Cc1ccc2[nH]ncc2c1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001175527608 1132700078 /nfs/dbraw/zinc/70/00/78/1132700078.db2.gz RFCYDQZXGRZOSV-UHFFFAOYSA-N -1 1 337.788 3.515 20 0 EHADMM Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c2ccccc12 ZINC001175954035 1132811742 /nfs/dbraw/zinc/81/17/42/1132811742.db2.gz PROPRKIRTJQISS-UHFFFAOYSA-N -1 1 334.347 3.501 20 0 EHADMM COc1ccncc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001176124245 1132853344 /nfs/dbraw/zinc/85/33/44/1132853344.db2.gz KKAZDYLDBYYCHN-UHFFFAOYSA-N -1 1 329.581 3.955 20 0 EHADMM O=C(c1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1)N1CCCC1 ZINC001176211971 1132874755 /nfs/dbraw/zinc/87/47/55/1132874755.db2.gz QZRFNEIOPAMYBX-UHFFFAOYSA-N -1 1 335.766 3.559 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc3cc(O)ccc3c2)c1 ZINC001176386993 1132916496 /nfs/dbraw/zinc/91/64/96/1132916496.db2.gz KIEUYWPTYAZKDD-UHFFFAOYSA-N -1 1 343.404 3.788 20 0 EHADMM O=C(OCc1ncc(-c2ccccc2F)o1)c1ccc([O-])cc1F ZINC000773569062 1132922031 /nfs/dbraw/zinc/92/20/31/1132922031.db2.gz UBMYEBHBOBQIPI-UHFFFAOYSA-N -1 1 331.274 3.682 20 0 EHADMM CC(C)Oc1ccc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000767088751 1132946756 /nfs/dbraw/zinc/94/67/56/1132946756.db2.gz PTONWOWJYXCSIQ-UHFFFAOYSA-N -1 1 344.436 3.822 20 0 EHADMM COc1nc(Br)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664411 1132978493 /nfs/dbraw/zinc/97/84/93/1132978493.db2.gz YFISNYCISSXWAP-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM COc1cc(OC)c(F)c(Nc2c(F)cc(F)c([O-])c2F)c1F ZINC001176669122 1132978981 /nfs/dbraw/zinc/97/89/81/1132978981.db2.gz DNEKVOZFUYORFB-UHFFFAOYSA-N -1 1 335.228 3.849 20 0 EHADMM CC(C)(C)c1nnc2ccc(Nc3c(F)cc(F)c([O-])c3F)cn21 ZINC001176664321 1132979127 /nfs/dbraw/zinc/97/91/27/1132979127.db2.gz UNLSFARWNTYDGX-UHFFFAOYSA-N -1 1 336.317 3.893 20 0 EHADMM COC(=O)c1cc(Cl)cc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670838 1132979138 /nfs/dbraw/zinc/97/91/38/1132979138.db2.gz MZDCJPIARUQEHS-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM CCOC(=O)c1ccc(NC)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672189 1132979638 /nfs/dbraw/zinc/97/96/38/1132979638.db2.gz VJXDJUZIEPRWJJ-UHFFFAOYSA-N -1 1 340.301 3.772 20 0 EHADMM O=C1c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2CN1C1CC1 ZINC001176672907 1132979933 /nfs/dbraw/zinc/97/99/33/1132979933.db2.gz AMKLYDKLAWGKMQ-UHFFFAOYSA-N -1 1 334.297 3.671 20 0 EHADMM Cc1nc(-c2ccccc2)oc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176988594 1133015604 /nfs/dbraw/zinc/01/56/04/1133015604.db2.gz PSDHIIOJTKCUGP-UHFFFAOYSA-N -1 1 342.782 3.939 20 0 EHADMM COc1ccccc1/C(C)=C/C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176988844 1133017215 /nfs/dbraw/zinc/01/72/15/1133017215.db2.gz RXIHMBGIESFNQM-FMIVXFBMSA-N -1 1 331.799 3.774 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000768273649 1133119809 /nfs/dbraw/zinc/11/98/09/1133119809.db2.gz VYYURVSTIUPBNN-WMLDXEAASA-N -1 1 347.386 3.633 20 0 EHADMM C[C@]1(Cc2ccccc2)SCCN1C(=O)c1ccc([O-])c(F)c1 ZINC001178169586 1133144299 /nfs/dbraw/zinc/14/42/99/1133144299.db2.gz NLNRMEQGBBKFSE-GOSISDBHSA-N -1 1 331.412 3.679 20 0 EHADMM O=C(Nc1ccccc1-c1ccccc1)c1ccc2n[n-]c(=S)n2c1 ZINC000773731585 1133147407 /nfs/dbraw/zinc/14/74/07/1133147407.db2.gz CIFBXVSCTXLGGK-UHFFFAOYSA-N -1 1 346.415 3.937 20 0 EHADMM CC(C)(CNC(=O)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC001179383727 1133248892 /nfs/dbraw/zinc/24/88/92/1133248892.db2.gz NZNYNYSXSCPVHC-UHFFFAOYSA-N -1 1 327.424 3.728 20 0 EHADMM CC=C(C=CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)CC ZINC000769283377 1133254328 /nfs/dbraw/zinc/25/43/28/1133254328.db2.gz VBTSHIROMKNTBA-KZWJVPTMSA-N -1 1 327.424 3.726 20 0 EHADMM COc1ccc(CN(C(=O)c2c([O-])cccc2Cl)C2CC2)cc1 ZINC000769617814 1133322752 /nfs/dbraw/zinc/32/27/52/1133322752.db2.gz OYJAZBKEKYKFSZ-UHFFFAOYSA-N -1 1 331.799 3.859 20 0 EHADMM Cc1nc(C2(NC(=O)c3c([O-])cccc3Cl)CCCCCC2)no1 ZINC000769717693 1133334350 /nfs/dbraw/zinc/33/43/50/1133334350.db2.gz XOSMZLSZDVOIIA-UHFFFAOYSA-N -1 1 349.818 3.717 20 0 EHADMM O=C(C[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl)c1cccs1 ZINC000769957145 1133365361 /nfs/dbraw/zinc/36/53/61/1133365361.db2.gz LAAPMAYDEDLXOD-NSHDSACASA-N -1 1 349.839 3.985 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000770037779 1133380995 /nfs/dbraw/zinc/38/09/95/1133380995.db2.gz CJSBFMRLCVIXNM-KPZWWZAWSA-N -1 1 339.366 3.536 20 0 EHADMM Cn1cc(CCNC(=O)c2c([O-])cccc2Cl)c2ccc(F)cc21 ZINC000771556861 1133574728 /nfs/dbraw/zinc/57/47/28/1133574728.db2.gz UVWNYYZQBFWRBY-UHFFFAOYSA-N -1 1 346.789 3.649 20 0 EHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185186116 1134046470 /nfs/dbraw/zinc/04/64/70/1134046470.db2.gz STDIFLJWJPCMFM-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM O=S(=O)([N-]c1cnc(C(F)(F)F)cc1Cl)c1ccsc1 ZINC001185350997 1134070680 /nfs/dbraw/zinc/07/06/80/1134070680.db2.gz ORPBNBYMLDEHHJ-UHFFFAOYSA-N -1 1 342.751 3.616 20 0 EHADMM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1F)c1ccsc1 ZINC001185382893 1134076327 /nfs/dbraw/zinc/07/63/27/1134076327.db2.gz OTDGTUXDZIJGIY-UHFFFAOYSA-N -1 1 341.307 3.587 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)ccc1Cl ZINC001185529563 1134103775 /nfs/dbraw/zinc/10/37/75/1134103775.db2.gz GZUXZWOQRQRUQG-UHFFFAOYSA-N -1 1 349.839 3.968 20 0 EHADMM O=C(Nc1cc(=O)[n-]n1C1CCCC1)Nc1c(F)cc(F)cc1F ZINC001186018609 1134160342 /nfs/dbraw/zinc/16/03/42/1134160342.db2.gz PRILCVPNBNQKED-UHFFFAOYSA-N -1 1 340.305 3.765 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c2ccccc12)c1ccc2n[nH]cc2c1 ZINC001185998713 1134163533 /nfs/dbraw/zinc/16/35/33/1134163533.db2.gz DSQBBJSGPDJDBF-UHFFFAOYSA-N -1 1 341.367 3.656 20 0 EHADMM [O-]c1ccc(F)c(Nc2cccc(F)c2N2CC[C@H](O)C2)c1Cl ZINC001250236210 1134200160 /nfs/dbraw/zinc/20/01/60/1134200160.db2.gz LJABUABGMWBJIC-VIFPVBQESA-N -1 1 340.757 3.638 20 0 EHADMM COc1ccc2oc(C(=O)Nc3nc(Cl)ccc3[O-])c(C)c2c1 ZINC000790050660 1134365656 /nfs/dbraw/zinc/36/56/56/1134365656.db2.gz GCQIZHJHIIYDLS-UHFFFAOYSA-N -1 1 332.743 3.756 20 0 EHADMM Cc1ccc(NC(=O)Nc2nc(Br)ccc2[O-])cc1F ZINC001187956485 1134405083 /nfs/dbraw/zinc/40/50/83/1134405083.db2.gz CLEYUIZWRFKSPT-UHFFFAOYSA-N -1 1 340.152 3.641 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188420574 1134460956 /nfs/dbraw/zinc/46/09/56/1134460956.db2.gz XKZDYLBHRMJOML-UHFFFAOYSA-N -1 1 343.379 3.999 20 0 EHADMM Cc1cc2c(cccc2NC(=O)c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001188587314 1134485359 /nfs/dbraw/zinc/48/53/59/1134485359.db2.gz SBQKZNIPTDQZNT-UHFFFAOYSA-N -1 1 347.296 3.915 20 0 EHADMM O=C(c1cc(Nc2cc(F)c([O-])cc2F)ccc1F)N1CCCC1 ZINC001188993311 1134529817 /nfs/dbraw/zinc/52/98/17/1134529817.db2.gz PKUZBIRRZOUFHF-UHFFFAOYSA-N -1 1 336.313 3.789 20 0 EHADMM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC001189232199 1134554048 /nfs/dbraw/zinc/55/40/48/1134554048.db2.gz JABRXKBQTLWQFM-UHFFFAOYSA-N -1 1 337.828 3.906 20 0 EHADMM C[C@@H](O)c1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189347904 1134573966 /nfs/dbraw/zinc/57/39/66/1134573966.db2.gz MBVKWFMINLOIJJ-GFCCVEGCSA-N -1 1 345.395 3.833 20 0 EHADMM Cc1cccc(CO)c1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189387885 1134578561 /nfs/dbraw/zinc/57/85/61/1134578561.db2.gz CCYCZXALNKIBSE-UHFFFAOYSA-N -1 1 345.395 3.580 20 0 EHADMM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(F)c2ccccc21 ZINC001189400254 1134582987 /nfs/dbraw/zinc/58/29/87/1134582987.db2.gz IIUGNUVRTQAEJP-AWEZNQCLSA-N -1 1 347.333 3.598 20 0 EHADMM Cc1cc([N-]S(=O)(=O)Cc2cccc(F)c2F)nc2ccccc12 ZINC001189419890 1134584728 /nfs/dbraw/zinc/58/47/28/1134584728.db2.gz JLYNZGNSESSBSP-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc(F)cc(Cl)c1 ZINC001189455088 1134589942 /nfs/dbraw/zinc/58/99/42/1134589942.db2.gz ZQPKRWFYGYEBDS-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cccc(C2CCC2)n1 ZINC001189789995 1134627342 /nfs/dbraw/zinc/62/73/42/1134627342.db2.gz CDYQUCBERUSCQM-UHFFFAOYSA-N -1 1 338.379 3.569 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1C(C)=O ZINC001190499447 1134706925 /nfs/dbraw/zinc/70/69/25/1134706925.db2.gz GLLNGABDYNZFRS-UHFFFAOYSA-N -1 1 345.420 3.576 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2ccc(F)cc2)cc1)c1ccncc1 ZINC001190845035 1134758606 /nfs/dbraw/zinc/75/86/06/1134758606.db2.gz BPYAQWWYJWFCIZ-UHFFFAOYSA-N -1 1 328.368 3.689 20 0 EHADMM O=S(=O)([N-]c1ccc(CCc2ccccc2)cc1)c1ccncc1 ZINC001190888120 1134763316 /nfs/dbraw/zinc/76/33/16/1134763316.db2.gz SHNWERAZWAULJO-UHFFFAOYSA-N -1 1 338.432 3.668 20 0 EHADMM COc1cc(C(=O)N2CC[C@@H](C)C(F)(F)CC2)cc(Cl)c1[O-] ZINC001191138243 1134809064 /nfs/dbraw/zinc/80/90/64/1134809064.db2.gz ATVZPBSOUXEXRP-SECBINFHSA-N -1 1 333.762 3.562 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)cnc1Cl ZINC001191787374 1134922380 /nfs/dbraw/zinc/92/23/80/1134922380.db2.gz IVZAFOJTUMBOES-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])c(C(N)=O)c1C ZINC001192314977 1134998545 /nfs/dbraw/zinc/99/85/45/1134998545.db2.gz WGWKYWJBEMHXME-UHFFFAOYSA-N -1 1 346.452 3.719 20 0 EHADMM O=C(Nc1cnnc2ccc(Cl)cc21)c1cc([O-])cc(F)c1F ZINC001192660897 1135042748 /nfs/dbraw/zinc/04/27/48/1135042748.db2.gz FQCKJIYXWCEPSV-UHFFFAOYSA-N -1 1 335.697 3.519 20 0 EHADMM O=C(c1cc([O-])cc(F)c1F)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001192665904 1135047406 /nfs/dbraw/zinc/04/74/06/1135047406.db2.gz XHKJYIFBRWVQHO-OAHLLOKOSA-N -1 1 339.288 3.926 20 0 EHADMM O=C(Nc1c(Cl)ccc(O)c1Cl)c1c([O-])ccc(F)c1F ZINC001192764086 1135051829 /nfs/dbraw/zinc/05/18/29/1135051829.db2.gz FIRFUVWZFHDVDZ-UHFFFAOYSA-N -1 1 334.105 3.935 20 0 EHADMM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1c(O)ccc(F)c1F ZINC001192763995 1135052483 /nfs/dbraw/zinc/05/24/83/1135052483.db2.gz AKAYDRJEKNJSMG-UHFFFAOYSA-N -1 1 338.360 3.821 20 0 EHADMM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000804477422 1135080594 /nfs/dbraw/zinc/08/05/94/1135080594.db2.gz CHDJRIOZALGAPI-VLIAUNLRSA-N -1 1 335.403 3.706 20 0 EHADMM C[C@@H](NC(=O)Nc1cc2ccc([O-])cc2oc1=O)c1ccc(F)cc1 ZINC001193108388 1135102258 /nfs/dbraw/zinc/10/22/58/1135102258.db2.gz VZXMNBYFPJJITQ-SNVBAGLBSA-N -1 1 342.326 3.520 20 0 EHADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc2c(c1)oc1ccccc12 ZINC001193265162 1135119697 /nfs/dbraw/zinc/11/96/97/1135119697.db2.gz QWBFZBINCXFIPB-ZDUSSCGKSA-N -1 1 331.393 3.507 20 0 EHADMM Cc1cc(O)cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193863213 1135197974 /nfs/dbraw/zinc/19/79/74/1135197974.db2.gz IUPYWIXIEMIOKL-UHFFFAOYSA-N -1 1 327.405 3.963 20 0 EHADMM CCSCc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)no1 ZINC001157899867 1135213666 /nfs/dbraw/zinc/21/36/66/1135213666.db2.gz NKPNGDJJWGFGCW-UHFFFAOYSA-N -1 1 330.768 3.678 20 0 EHADMM COc1ccc2ncc([N-]S(=O)(=O)c3c(C)cccc3C)cc2c1 ZINC001194609939 1135286100 /nfs/dbraw/zinc/28/61/00/1135286100.db2.gz RBRCGSNEZLUVAE-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2C)c(C)c1 ZINC001194633997 1135294782 /nfs/dbraw/zinc/29/47/82/1135294782.db2.gz JUIHSSNFRDWYSO-UHFFFAOYSA-N -1 1 347.436 3.589 20 0 EHADMM COc1ncccc1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1Cl ZINC001194712172 1135311704 /nfs/dbraw/zinc/31/17/04/1135311704.db2.gz VEAFRCHCDAHASK-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM COc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1Cl ZINC001195197289 1135391548 /nfs/dbraw/zinc/39/15/48/1135391548.db2.gz UVASXOOSBLSLNS-UHFFFAOYSA-N -1 1 346.692 3.720 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2cc3[nH]ccc3cc2Br)n1 ZINC001195325744 1135406402 /nfs/dbraw/zinc/40/64/02/1135406402.db2.gz HGUOHQQVEXSSJT-UHFFFAOYSA-N -1 1 346.184 3.592 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2ccc(N3CCC(F)(F)CC3)cc2)n1 ZINC001195329761 1135406433 /nfs/dbraw/zinc/40/64/33/1135406433.db2.gz IFFLITBPXLHVDO-UHFFFAOYSA-N -1 1 347.365 3.583 20 0 EHADMM O=C(Nc1cc(-c2cccc(F)c2)ccn1)c1cc([O-])cnc1Cl ZINC001195298066 1135408594 /nfs/dbraw/zinc/40/85/94/1135408594.db2.gz OKJULPAHNBKMSJ-UHFFFAOYSA-N -1 1 343.745 3.894 20 0 EHADMM Cc1cccc(NC(=O)c2cc([O-])cnc2Cl)c1Br ZINC001195309584 1135411921 /nfs/dbraw/zinc/41/19/21/1135411921.db2.gz SAFBUJZVYJJIPV-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(F)cc(OCc2ccccc2)c1 ZINC001195490867 1135432655 /nfs/dbraw/zinc/43/26/55/1135432655.db2.gz OZVUIFMVJDYWCU-UHFFFAOYSA-N -1 1 348.399 3.848 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)c(F)c(C(F)(F)F)c1 ZINC001195490838 1135432810 /nfs/dbraw/zinc/43/28/10/1135432810.db2.gz NOPUKPSPVMEBRI-UHFFFAOYSA-N -1 1 344.717 3.941 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1CCCCCCC1 ZINC000747367863 1135512464 /nfs/dbraw/zinc/51/24/64/1135512464.db2.gz UEVYVKHDPMJBNZ-UHFFFAOYSA-N -1 1 333.476 3.878 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c(F)c1 ZINC001196387090 1135553950 /nfs/dbraw/zinc/55/39/50/1135553950.db2.gz KEVZYZNGCMQOSA-UHFFFAOYSA-N -1 1 329.393 3.796 20 0 EHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1 ZINC000808125223 1135615183 /nfs/dbraw/zinc/61/51/83/1135615183.db2.gz OCMOCDPJGZDCCD-GFCCVEGCSA-N -1 1 345.420 3.671 20 0 EHADMM Cc1nc(-c2noc3ccccc32)sc1C(=O)[N-]c1cnoc1 ZINC001197078490 1135648353 /nfs/dbraw/zinc/64/83/53/1135648353.db2.gz GFCJQMOHLFFPLX-UHFFFAOYSA-N -1 1 326.337 3.500 20 0 EHADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1 ZINC000808584043 1135696659 /nfs/dbraw/zinc/69/66/59/1135696659.db2.gz PDGQCXLAOYKGLV-NTMALXAHSA-N -1 1 342.342 3.821 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1O ZINC001197526966 1135698946 /nfs/dbraw/zinc/69/89/46/1135698946.db2.gz OXDSWYKBEIRYEE-UHFFFAOYSA-N -1 1 346.235 3.949 20 0 EHADMM CCc1cccnc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197725458 1135730983 /nfs/dbraw/zinc/73/09/83/1135730983.db2.gz BXGBBUNJTQVCPX-UHFFFAOYSA-N -1 1 345.251 3.893 20 0 EHADMM CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153225 1135779825 /nfs/dbraw/zinc/77/98/25/1135779825.db2.gz LAEBKSOVPZVVJG-UHFFFAOYSA-N -1 1 341.436 3.728 20 0 EHADMM [O-]c1cc(NC(=S)Nc2ccc3c(c2)OCO3)c(F)cc1Cl ZINC001198283518 1135794763 /nfs/dbraw/zinc/79/47/63/1135794763.db2.gz HQRIYYNZQQSXGV-UHFFFAOYSA-N -1 1 340.763 3.722 20 0 EHADMM C[C@@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000004516261 1135832323 /nfs/dbraw/zinc/83/23/23/1135832323.db2.gz UHOANJHBPGSIAK-ZDUSSCGKSA-N -1 1 338.359 3.736 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)[C@@H](O)CCC2)c1ccc2occc2c1 ZINC001198869502 1135864450 /nfs/dbraw/zinc/86/44/50/1135864450.db2.gz VSFHHIZVCAIQDP-KRWDZBQOSA-N -1 1 343.404 3.603 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc(C)nc3sccc32)c(C)c1 ZINC001198910741 1135866773 /nfs/dbraw/zinc/86/67/73/1135866773.db2.gz ANHQWGQWADDTSI-UHFFFAOYSA-N -1 1 348.449 3.723 20 0 EHADMM O=C([N-]c1ccnc(Cl)c1Cl)c1cnoc1C(F)(F)F ZINC001199048621 1135876070 /nfs/dbraw/zinc/87/60/70/1135876070.db2.gz DZLHNKLYYLLSRY-UHFFFAOYSA-N -1 1 326.061 3.648 20 0 EHADMM O=C([N-]c1ccc(Cl)c2nsnc21)c1cnoc1C(F)(F)F ZINC001199055062 1135876364 /nfs/dbraw/zinc/87/63/64/1135876364.db2.gz JNXYSSQIDDXSBT-UHFFFAOYSA-N -1 1 348.693 3.604 20 0 EHADMM CN(C)c1ccc(C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000775976000 1135907139 /nfs/dbraw/zinc/90/71/39/1135907139.db2.gz UQFAAQRRVFHTKZ-UHFFFAOYSA-N -1 1 342.414 3.617 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)Nc1cccc(C(F)F)c1 ZINC001199502504 1135908103 /nfs/dbraw/zinc/90/81/03/1135908103.db2.gz MFHPNYYETLYEON-UHFFFAOYSA-N -1 1 342.292 3.972 20 0 EHADMM COc1cc(C)c(C(=O)[N-]c2c(SC)cc(C)nc2SC)cn1 ZINC001199703619 1135920921 /nfs/dbraw/zinc/92/09/21/1135920921.db2.gz DEDCYQNJZKZDBL-UHFFFAOYSA-N -1 1 349.481 3.798 20 0 EHADMM O=S(=O)([N-]C1CCCCC1)c1cc(Cl)c(Cl)cc1F ZINC001201244241 1135998752 /nfs/dbraw/zinc/99/87/52/1135998752.db2.gz JSHLHYYGFTYBPL-UHFFFAOYSA-N -1 1 326.220 3.744 20 0 EHADMM Cc1c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cnn1-c1ccccc1 ZINC001201376239 1136013699 /nfs/dbraw/zinc/01/36/99/1136013699.db2.gz KYKQHFSHHLGGCH-UHFFFAOYSA-N -1 1 331.379 3.816 20 0 EHADMM Cc1ccc(CO)c([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC001201799565 1136063706 /nfs/dbraw/zinc/06/37/06/1136063706.db2.gz SBIYLCPFOJFCQU-UHFFFAOYSA-N -1 1 347.480 3.830 20 0 EHADMM Cc1nc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)cc(C2CC2)n1 ZINC000776486750 1136297032 /nfs/dbraw/zinc/29/70/32/1136297032.db2.gz ISCIQCFYFIGGNO-HJWRWDBZSA-N -1 1 349.843 3.728 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(F)cc1Cl ZINC000007656404 1136321020 /nfs/dbraw/zinc/32/10/20/1136321020.db2.gz YAXNKSCVGVRQMV-UHFFFAOYSA-N -1 1 348.713 3.648 20 0 EHADMM CCOC(=O)c1[n-]c(NC(=O)c2cccc3ccsc32)nc1Cl ZINC001133885138 1136355052 /nfs/dbraw/zinc/35/50/52/1136355052.db2.gz IUHVUTAGSZYETD-UHFFFAOYSA-N -1 1 349.799 3.707 20 0 EHADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(C3CC3)cc2Cl)[n-]1 ZINC000814404358 1136451088 /nfs/dbraw/zinc/45/10/88/1136451088.db2.gz OCBOFSWVQZZYGE-UHFFFAOYSA-N -1 1 340.832 3.832 20 0 EHADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(C3CC3)cc2Cl)c[n-]1 ZINC000814404358 1136451091 /nfs/dbraw/zinc/45/10/91/1136451091.db2.gz OCBOFSWVQZZYGE-UHFFFAOYSA-N -1 1 340.832 3.832 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)C[C@@H](C)CC(C)C)[nH]c21 ZINC001134753720 1136528046 /nfs/dbraw/zinc/52/80/46/1136528046.db2.gz UHJXFHQQNWJMGK-LBPRGKRZSA-N -1 1 331.416 3.750 20 0 EHADMM O=C1CCCC(=O)N1c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000815130805 1136555291 /nfs/dbraw/zinc/55/52/91/1136555291.db2.gz GFVACZJLWVZCOD-UHFFFAOYSA-N -1 1 344.798 3.701 20 0 EHADMM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111667984 1136569981 /nfs/dbraw/zinc/56/99/81/1136569981.db2.gz XAXLDBLIMISHQV-IINYFYTJSA-N -1 1 344.798 3.892 20 0 EHADMM CCCCCC[C@@H](CC)CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000853868629 1136571384 /nfs/dbraw/zinc/57/13/84/1136571384.db2.gz SDSZWXTWBURLSN-OAHLLOKOSA-N -1 1 343.471 3.992 20 0 EHADMM CCc1cc2c(COC(=O)c3sccc3F)cc(=O)oc2cc1[O-] ZINC000815331689 1136586329 /nfs/dbraw/zinc/58/63/29/1136586329.db2.gz RSWUBKIARPPMLJ-UHFFFAOYSA-N -1 1 348.351 3.619 20 0 EHADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675767 1136602935 /nfs/dbraw/zinc/60/29/35/1136602935.db2.gz AGEVTLKZDFRFIY-SSDOTTSWSA-N -1 1 326.755 3.922 20 0 EHADMM Cc1noc([C@@H]([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)C(C)C)n1 ZINC001135182753 1136635038 /nfs/dbraw/zinc/63/50/38/1136635038.db2.gz QABVVZTYRKFIFG-LBPRGKRZSA-N -1 1 343.761 3.637 20 0 EHADMM CC(C)(CO)[C@@H](NC(=O)c1c([O-])cccc1Cl)c1cccs1 ZINC000855111765 1136667603 /nfs/dbraw/zinc/66/76/03/1136667603.db2.gz RCLCXCZZSJMYLS-AWEZNQCLSA-N -1 1 339.844 3.597 20 0 EHADMM O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1c([O-])cccc1Cl ZINC000855115721 1136668114 /nfs/dbraw/zinc/66/81/14/1136668114.db2.gz WXMPCZSFSGNJHU-QGZVFWFLSA-N -1 1 345.826 3.679 20 0 EHADMM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc3ccccc32)[n-]n1 ZINC001135672616 1136750253 /nfs/dbraw/zinc/75/02/53/1136750253.db2.gz DBDWAWBAZLRSNT-UHFFFAOYSA-N -1 1 337.379 3.771 20 0 EHADMM C[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)c1ccn(C)n1 ZINC000817456184 1136807828 /nfs/dbraw/zinc/80/78/28/1136807828.db2.gz SVMUZWLGIXOQQX-MRVPVSSYSA-N -1 1 348.180 3.696 20 0 EHADMM CC[C@@H](Oc1ccccc1C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000857508953 1136878627 /nfs/dbraw/zinc/87/86/27/1136878627.db2.gz SBQUHLCIWYVKEG-MRXNPFEDSA-N -1 1 340.379 3.557 20 0 EHADMM O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1ccc(Cl)cc1[O-] ZINC001170912244 1136887968 /nfs/dbraw/zinc/88/79/68/1136887968.db2.gz IWFRJMYVRMDQHG-APHBMKBZSA-N -1 1 334.202 3.767 20 0 EHADMM O=C([N-]c1c2nsnc2ccc1Cl)c1nc(Cl)ccc1F ZINC000776960545 1136905402 /nfs/dbraw/zinc/90/54/02/1136905402.db2.gz HRDIXLLAFFPIIT-UHFFFAOYSA-N -1 1 343.170 3.785 20 0 EHADMM O=C(NCc1ccc2c(c1)CCC2)c1cc(Br)ccc1[O-] ZINC001136253493 1136958608 /nfs/dbraw/zinc/95/86/08/1136958608.db2.gz JUPCHXKZJXYVPM-UHFFFAOYSA-N -1 1 346.224 3.573 20 0 EHADMM O=c1nc(NCC2(CCOCc3ccccc3)CC2)cc(Cl)[n-]1 ZINC000858486668 1136972484 /nfs/dbraw/zinc/97/24/84/1136972484.db2.gz OYYUQAJLMYHNHT-UHFFFAOYSA-N -1 1 333.819 3.635 20 0 EHADMM Cc1ccc(CC2CCN(c3cc(Cl)[n-]c(=O)n3)CC2)cc1C ZINC000858552565 1136978160 /nfs/dbraw/zinc/97/81/60/1136978160.db2.gz HDOVVRWMQGCXBH-UHFFFAOYSA-N -1 1 331.847 3.912 20 0 EHADMM O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1ccc(O)cc1[O-] ZINC001136762127 1137109234 /nfs/dbraw/zinc/10/92/34/1137109234.db2.gz HDDPABUDRBGUPE-VOTSOKGWSA-N -1 1 338.388 3.977 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CSCCS1 ZINC000862294505 1137137761 /nfs/dbraw/zinc/13/77/61/1137137761.db2.gz LOMGDUZUALVIQC-ZDUSSCGKSA-N -1 1 339.869 3.986 20 0 EHADMM CC[C@@H]1OCC[C@H]1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000843886927 1137186656 /nfs/dbraw/zinc/18/66/56/1137186656.db2.gz QTIQYQDWEGKJJW-KCJUWKMLSA-N -1 1 348.624 3.562 20 0 EHADMM Cc1c(Br)cccc1CNC(=O)c1cccc([O-])c1F ZINC001143749811 1137195930 /nfs/dbraw/zinc/19/59/30/1137195930.db2.gz BRQYFBBLNMXFJA-UHFFFAOYSA-N -1 1 338.176 3.532 20 0 EHADMM C[C@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1cccc(O)c1 ZINC000794561653 1137203518 /nfs/dbraw/zinc/20/35/18/1137203518.db2.gz IDTDGXGMBCGYBO-JTQLQIEISA-N -1 1 345.782 3.708 20 0 EHADMM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)cc1F)c1ccsc1 ZINC000864503742 1137230269 /nfs/dbraw/zinc/23/02/69/1137230269.db2.gz HPYGSJGEDYYBGV-CYBMUJFWSA-N -1 1 345.342 3.794 20 0 EHADMM Cc1nc(SCc2ncc(Cl)nc2Cl)[n-]c(=O)c1C1CC1 ZINC000865373325 1137278246 /nfs/dbraw/zinc/27/82/46/1137278246.db2.gz PGEZILXCBCJERY-UHFFFAOYSA-N -1 1 343.239 3.757 20 0 EHADMM COc1ccccc1O[C@@H]1CCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144555158 1137308981 /nfs/dbraw/zinc/30/89/81/1137308981.db2.gz XPDIVRFZTMPLAH-CQSZACIVSA-N -1 1 349.377 3.722 20 0 EHADMM CC(C)OCCON=c1[n-]cc(Br)cc1C(F)(F)F ZINC000865823389 1137314339 /nfs/dbraw/zinc/31/43/39/1137314339.db2.gz TTXYFPNHNUTLTQ-UHFFFAOYSA-N -1 1 343.143 3.631 20 0 EHADMM O=C(c1ccc(F)cc1)C1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144646603 1137322104 /nfs/dbraw/zinc/32/21/04/1137322104.db2.gz DBILQMYAEPTNBS-UHFFFAOYSA-N -1 1 349.352 3.904 20 0 EHADMM [O-]c1cc(F)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1F ZINC001144646780 1137322496 /nfs/dbraw/zinc/32/24/96/1137322496.db2.gz KFDUIZDGRMXSIH-QPJJXVBHSA-N -1 1 344.405 3.501 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(Oc3cccc(F)c3)CC2)cc1F ZINC001144666473 1137324679 /nfs/dbraw/zinc/32/46/79/1137324679.db2.gz JUCCFQLWUIUCGN-UHFFFAOYSA-N -1 1 337.341 3.853 20 0 EHADMM [O-]c1cc(F)c(CN(Cc2cccnc2)Cc2cccnc2)cc1F ZINC001144665664 1137324731 /nfs/dbraw/zinc/32/47/31/1137324731.db2.gz CKPZAHVNIVTVOR-UHFFFAOYSA-N -1 1 341.361 3.663 20 0 EHADMM [O-]c1cc(F)c(CN2CCc3c([nH]nc3C(F)(F)F)C2)cc1F ZINC001144660184 1137327324 /nfs/dbraw/zinc/32/73/24/1137327324.db2.gz VYEXIBSNMKVXEH-CYBMUJFWSA-N -1 1 333.260 3.527 20 0 EHADMM O=C(Cc1csc2ccc(Cl)cc12)[N-]O[C@H]1CCCCO1 ZINC000120972974 1137339410 /nfs/dbraw/zinc/33/94/10/1137339410.db2.gz XXFRXEGIAPLGPV-HNNXBMFYSA-N -1 1 325.817 3.672 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1(Br)CCC1 ZINC001144747878 1137342239 /nfs/dbraw/zinc/34/22/39/1137342239.db2.gz SRQSRVFRQKUREI-UHFFFAOYSA-N -1 1 338.123 3.667 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@@H](O)c1cccc(Cl)c1 ZINC001144834113 1137352921 /nfs/dbraw/zinc/35/29/21/1137352921.db2.gz WPOBDGGQUWCPBD-LBPRGKRZSA-N -1 1 345.704 3.737 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc2cc(Cl)ccc2[nH]1 ZINC000772962860 1137386611 /nfs/dbraw/zinc/38/66/11/1137386611.db2.gz HWXVNAKXIWUSQV-MRVPVSSYSA-N -1 1 333.750 3.552 20 0 EHADMM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(F)c([O-])c1 ZINC001147821891 1137413268 /nfs/dbraw/zinc/41/32/68/1137413268.db2.gz JDZRARYQZFOVRB-ZDUSSCGKSA-N -1 1 348.805 3.584 20 0 EHADMM O=C(N[C@H]1CCCc2cccnc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001148799814 1137435079 /nfs/dbraw/zinc/43/50/79/1137435079.db2.gz WBEMTAIBNKEIKD-ZDUSSCGKSA-N -1 1 336.313 3.613 20 0 EHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CC(Oc2ccccc2)C1 ZINC001148866972 1137436627 /nfs/dbraw/zinc/43/66/27/1137436627.db2.gz UHXIKIOWGPIWJU-UHFFFAOYSA-N -1 1 345.398 3.963 20 0 EHADMM Cc1nnc2cc(NC(=O)c3cccc(-c4ccccc4)c3[O-])ccn12 ZINC001148867283 1137436789 /nfs/dbraw/zinc/43/67/89/1137436789.db2.gz ODWXYDDWMUNRNQ-UHFFFAOYSA-N -1 1 344.374 3.663 20 0 EHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001148866534 1137436877 /nfs/dbraw/zinc/43/68/77/1137436877.db2.gz LAWLCAPIZDPLSP-MRXNPFEDSA-N -1 1 347.418 3.802 20 0 EHADMM C[C@@H](Cc1ccsc1)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001148903769 1137437432 /nfs/dbraw/zinc/43/74/32/1137437432.db2.gz FUALARGVIFQIRB-LBPRGKRZSA-N -1 1 326.421 3.705 20 0 EHADMM Cc1noc(C)c1-c1nc(C)c(C(=O)Nc2cccc(F)c2[O-])s1 ZINC001171637974 1137504657 /nfs/dbraw/zinc/50/46/57/1137504657.db2.gz RAVDUWHPVSWSAV-UHFFFAOYSA-N -1 1 347.371 3.820 20 0 EHADMM O=c1c2c([n-]n1[C@H]1CCOC3(CCCC3)C1)-c1ccccc1CCC2 ZINC000871964546 1137563850 /nfs/dbraw/zinc/56/38/50/1137563850.db2.gz SLZUSUJFOANZDA-WMZOPIPTSA-N -1 1 338.451 3.677 20 0 EHADMM CCCCN1Cc2cccc(NC(=O)C3=C(C(=O)[O-])CCCC3)c2C1 ZINC000872842919 1137585389 /nfs/dbraw/zinc/58/53/89/1137585389.db2.gz CJZPPGXWXCKVKY-UHFFFAOYSA-N -1 1 342.439 3.696 20 0 EHADMM Cc1cccnc1[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C(C)C ZINC000872896817 1137586322 /nfs/dbraw/zinc/58/63/22/1137586322.db2.gz UPRGFFRLVKIWNU-INIZCTEOSA-N -1 1 347.846 3.946 20 0 EHADMM Cc1nc2cc(F)cc(C(=O)[N-]c3nc(C(C)C)ns3)c2nc1C ZINC000874696857 1137621473 /nfs/dbraw/zinc/62/14/73/1137621473.db2.gz QCNZMANGQZRBEZ-UHFFFAOYSA-N -1 1 345.403 3.613 20 0 EHADMM CC(C)c1nsc([N-]C(=O)c2cnc(Cc3ccccc3)s2)n1 ZINC000874695985 1137621514 /nfs/dbraw/zinc/62/15/14/1137621514.db2.gz XQFNNLLTNFIWOG-UHFFFAOYSA-N -1 1 344.465 3.961 20 0 EHADMM COc1ccccc1C1(NC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876398199 1137650891 /nfs/dbraw/zinc/65/08/91/1137650891.db2.gz DSQDACAEZXAUDF-UHFFFAOYSA-N -1 1 346.814 3.543 20 0 EHADMM CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129581035 1137825449 /nfs/dbraw/zinc/82/54/49/1137825449.db2.gz UATDNKFNQOQSOD-UHFFFAOYSA-N -1 1 347.802 3.828 20 0 EHADMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)co1 ZINC000187245402 1137840652 /nfs/dbraw/zinc/84/06/52/1137840652.db2.gz JFFPHJDECIPVJG-ZDUSSCGKSA-N -1 1 337.162 3.856 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1ccc(C(F)F)cc1 ZINC000331920686 1137925603 /nfs/dbraw/zinc/92/56/03/1137925603.db2.gz LYAAWBZCPOQRIC-UHFFFAOYSA-N -1 1 341.383 3.806 20 0 EHADMM CC1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000332292184 1137938541 /nfs/dbraw/zinc/93/85/41/1137938541.db2.gz LNTBYNHYKVILCX-UHFFFAOYSA-N -1 1 349.228 3.575 20 0 EHADMM CC(C)(C)c1cc(Br)ccc1-c1noc(-c2cn[n-]n2)n1 ZINC001212799998 1137957352 /nfs/dbraw/zinc/95/73/52/1137957352.db2.gz ISEZASJOYFBDRQ-UHFFFAOYSA-N -1 1 348.204 3.582 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCCc3cccnc32)cc(Cl)c1[O-] ZINC000885375549 1137997785 /nfs/dbraw/zinc/99/77/85/1137997785.db2.gz MMHWRAUETTXXFG-CQSZACIVSA-N -1 1 346.814 3.647 20 0 EHADMM Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677898 1138017805 /nfs/dbraw/zinc/01/78/05/1138017805.db2.gz CGLQHUKQCLQVPV-UHFFFAOYSA-N -1 1 326.755 3.706 20 0 EHADMM Cc1cc(C)n([C@H](C)CC(=O)Nc2cc(F)c([O-])cc2Cl)n1 ZINC000885673963 1138018002 /nfs/dbraw/zinc/01/80/02/1138018002.db2.gz AXCZNZHSGQMHBK-SNVBAGLBSA-N -1 1 325.771 3.588 20 0 EHADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885676018 1138018029 /nfs/dbraw/zinc/01/80/29/1138018029.db2.gz GXHDUGZHNLPUML-ZUZCIYMTSA-N -1 1 329.799 3.965 20 0 EHADMM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1 ZINC000885680066 1138018240 /nfs/dbraw/zinc/01/82/40/1138018240.db2.gz KTMQQTYVPBURKT-UHFFFAOYSA-N -1 1 343.782 3.635 20 0 EHADMM CC(C)n1c(CNC(=O)Cc2cccc3ccccc32)n[n-]c1=S ZINC000066639841 1138076639 /nfs/dbraw/zinc/07/66/39/1138076639.db2.gz FJOPXFLIHMIYNE-UHFFFAOYSA-N -1 1 340.452 3.534 20 0 EHADMM Cc1cc2cc(C(=O)NCc3n[n-]c(=S)n3C(C)C)oc2cc1C ZINC000080173260 1138161089 /nfs/dbraw/zinc/16/10/89/1138161089.db2.gz HRKLJESDSQGWCY-UHFFFAOYSA-N -1 1 344.440 3.815 20 0 EHADMM Cc1c(Cl)cccc1NC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000085546102 1138184666 /nfs/dbraw/zinc/18/46/66/1138184666.db2.gz KMCFJIBTDUZQLA-UHFFFAOYSA-N -1 1 337.836 3.559 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3cccc(SC)c3)cc21 ZINC000337762463 1138662117 /nfs/dbraw/zinc/66/21/17/1138662117.db2.gz PYEYGLKGXQZJKT-UHFFFAOYSA-N -1 1 347.465 3.579 20 0 EHADMM O=C(c1ncccc1[O-])N1CCC(c2cccc3ccccc32)CC1 ZINC000338088439 1138746279 /nfs/dbraw/zinc/74/62/79/1138746279.db2.gz KMPFQQULEOIXCD-UHFFFAOYSA-N -1 1 332.403 3.960 20 0 EHADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](c2ccsc2)O1 ZINC000150868220 1138988881 /nfs/dbraw/zinc/98/88/81/1138988881.db2.gz SPKZBVCNTXGLCK-ZUZCIYMTSA-N -1 1 337.828 3.709 20 0 EHADMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc([O-])cc2F)cc1 ZINC000181246775 1139894995 /nfs/dbraw/zinc/89/49/95/1139894995.db2.gz FGKHVCHMSSCSLV-HNAYVOBHSA-N -1 1 343.398 3.737 20 0 EHADMM CCC[C@@H](NCC(=O)Nc1c(C(C)C)cccc1C(C)C)C(=O)[O-] ZINC000185031367 1140132551 /nfs/dbraw/zinc/13/25/51/1140132551.db2.gz TTYFYCCTWYVJJK-MRXNPFEDSA-N -1 1 334.460 3.715 20 0 EHADMM CN(Cc1ccc(C(F)F)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000186194433 1140191386 /nfs/dbraw/zinc/19/13/86/1140191386.db2.gz RUGVNVGVMVXXIL-UHFFFAOYSA-N -1 1 335.379 3.554 20 0 EHADMM CCOc1cc(C(=O)Nc2ccccc2CCOC)cc(Cl)c1[O-] ZINC000190869057 1140422409 /nfs/dbraw/zinc/42/24/09/1140422409.db2.gz RLVZFJBTPWGVFZ-UHFFFAOYSA-N -1 1 349.814 3.886 20 0 EHADMM Cn1ccnc1[C@@H](NCc1cccc([O-])c1Cl)c1cccc(F)c1 ZINC000339189541 1141522881 /nfs/dbraw/zinc/52/28/81/1141522881.db2.gz WANAXYAMKDIXND-KRWDZBQOSA-N -1 1 345.805 3.797 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000119786627 221399887 /nfs/dbraw/zinc/39/98/87/221399887.db2.gz WKIUBLXFUCWLFV-UHFFFAOYSA-N -1 1 332.356 3.590 20 0 EHADMM COc1ccccc1-c1nc(CN2CCC[C@H](CC(=O)[O-])C2)cs1 ZINC000533202622 597069135 /nfs/dbraw/zinc/06/91/35/597069135.db2.gz OVZPVVFTLDCVEE-CYBMUJFWSA-N -1 1 346.452 3.505 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000819380423 597238228 /nfs/dbraw/zinc/23/82/28/597238228.db2.gz KVKQSRUPIHNASZ-SNVBAGLBSA-N -1 1 342.317 3.533 20 0 EHADMM CC1(C)C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)c2ccccc21 ZINC000820589976 607306800 /nfs/dbraw/zinc/30/68/00/607306800.db2.gz OHLDYPINRBOOMT-SNVBAGLBSA-N -1 1 346.847 3.811 20 0 EHADMM CC1(C)C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)c2ccccc21 ZINC000820589976 607306801 /nfs/dbraw/zinc/30/68/01/607306801.db2.gz OHLDYPINRBOOMT-SNVBAGLBSA-N -1 1 346.847 3.811 20 0 EHADMM CCCOc1cc(C)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821128193 607312104 /nfs/dbraw/zinc/31/21/04/607312104.db2.gz RHKBGEFPCLLPGB-UHFFFAOYSA-N -1 1 329.429 3.638 20 0 EHADMM Fc1cccc(Sc2nc(-c3ccccc3)c[nH]2)c1-c1nn[n-]n1 ZINC000737666590 598237131 /nfs/dbraw/zinc/23/71/31/598237131.db2.gz ZYTOOPXPLHBFLY-UHFFFAOYSA-N -1 1 338.371 3.547 20 0 EHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1nc(-c2ccccc2)cs1 ZINC000736135550 599431667 /nfs/dbraw/zinc/43/16/67/599431667.db2.gz BCUQKHDFJYQSNU-LLVKDONJSA-N -1 1 349.423 3.558 20 0 EHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)cs1 ZINC000736135550 599431671 /nfs/dbraw/zinc/43/16/71/599431671.db2.gz BCUQKHDFJYQSNU-LLVKDONJSA-N -1 1 349.423 3.558 20 0 EHADMM C[C@@H](Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820300364 599490373 /nfs/dbraw/zinc/49/03/73/599490373.db2.gz QLKGONJMGJMOKH-LBPRGKRZSA-N -1 1 348.385 3.597 20 0 EHADMM C[C@@H](Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820300364 599490374 /nfs/dbraw/zinc/49/03/74/599490374.db2.gz QLKGONJMGJMOKH-LBPRGKRZSA-N -1 1 348.385 3.597 20 0 EHADMM CC[C@@H](Sc1nc(C)nc(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736393287 599520292 /nfs/dbraw/zinc/52/02/92/599520292.db2.gz VWJIKUFQCKXXQL-CYBMUJFWSA-N -1 1 344.419 3.656 20 0 EHADMM c1oc2ccccc2c1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823797774 599558933 /nfs/dbraw/zinc/55/89/33/599558933.db2.gz RMBMILYBYPNIII-UHFFFAOYSA-N -1 1 342.362 3.773 20 0 EHADMM c1oc2ccccc2c1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823797774 599558934 /nfs/dbraw/zinc/55/89/34/599558934.db2.gz RMBMILYBYPNIII-UHFFFAOYSA-N -1 1 342.362 3.773 20 0 EHADMM Cc1ccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000822233876 599562213 /nfs/dbraw/zinc/56/22/13/599562213.db2.gz XCHOIPWWNJYOLN-MRXNPFEDSA-N -1 1 346.394 3.658 20 0 EHADMM Cc1ccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000822233876 599562216 /nfs/dbraw/zinc/56/22/16/599562216.db2.gz XCHOIPWWNJYOLN-MRXNPFEDSA-N -1 1 346.394 3.658 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000391000492 599754296 /nfs/dbraw/zinc/75/42/96/599754296.db2.gz NLSNKUWTXJJNEO-CQSZACIVSA-N -1 1 334.803 3.824 20 0 EHADMM CCN(Cc1ccc(OC)cc1OC)Cc1ccc(F)cc1C(=O)[O-] ZINC000737106082 600090624 /nfs/dbraw/zinc/09/06/24/600090624.db2.gz LUKCBPCECMAOSM-UHFFFAOYSA-N -1 1 347.386 3.563 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC4(C[C@H]4C(=O)[O-])CC3)cs2)cc1 ZINC000405354018 600303665 /nfs/dbraw/zinc/30/36/65/600303665.db2.gz GXYIVUIYABICQS-INIZCTEOSA-N -1 1 342.464 3.805 20 0 EHADMM O=C([O-])[C@@H](NCc1ccccc1OC1CCC1)c1ccc(F)cc1 ZINC000739503893 600502466 /nfs/dbraw/zinc/50/24/66/600502466.db2.gz COEQBEREKIYACK-SFHVURJKSA-N -1 1 329.371 3.673 20 0 EHADMM COc1cc(C)c([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000831961632 600738593 /nfs/dbraw/zinc/73/85/93/600738593.db2.gz IOAUUGADLIKDQI-XIKOKIGWSA-N -1 1 347.386 3.628 20 0 EHADMM CC(C)COc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426803921 600742415 /nfs/dbraw/zinc/74/24/15/600742415.db2.gz QNLDTCPSZLVNEJ-GOSISDBHSA-N -1 1 331.387 3.776 20 0 EHADMM Cc1ccccc1[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)[C@H](C)CO1 ZINC000263577505 600832789 /nfs/dbraw/zinc/83/27/89/600832789.db2.gz RNFQBWMNMNOWME-BEFAXECRSA-N -1 1 325.408 3.655 20 0 EHADMM O=C([O-])c1ccc(OCCN2CCC[C@H]2c2ccc[nH]2)c(Cl)c1 ZINC000833321649 600989007 /nfs/dbraw/zinc/98/90/07/600989007.db2.gz XTVXZQRSKHSNAY-HNNXBMFYSA-N -1 1 334.803 3.582 20 0 EHADMM CC(C)(C)n1ncc2c1CCC[C@@H]2N[C@H](C(=O)[O-])c1ccccc1F ZINC000736310285 601100989 /nfs/dbraw/zinc/10/09/89/601100989.db2.gz LZCZMSPUIKIBPZ-RDJZCZTQSA-N -1 1 345.418 3.570 20 0 EHADMM CC(C)N(Cc1cccs1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000826951761 601398329 /nfs/dbraw/zinc/39/83/29/601398329.db2.gz OTCVMLCUISCHBC-UHFFFAOYSA-N -1 1 329.425 3.664 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN(CCOC)[C@H](C)c1ccccc1 ZINC000830363545 601414956 /nfs/dbraw/zinc/41/49/56/601414956.db2.gz UQBRTQLYXQNTBH-CQSZACIVSA-N -1 1 331.412 3.750 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(F)cc1F)c1ccccc1C(F)(F)F ZINC000833166551 601549408 /nfs/dbraw/zinc/54/94/08/601549408.db2.gz QOGRRFJAGCXZKW-AWEZNQCLSA-N -1 1 345.267 3.899 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000826055318 601651341 /nfs/dbraw/zinc/65/13/41/601651341.db2.gz YNWZMIPRXJUGNM-YVEFUNNKSA-N -1 1 343.814 3.539 20 0 EHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC(CCC(=O)[O-])CC1 ZINC000568054412 601839685 /nfs/dbraw/zinc/83/96/85/601839685.db2.gz RZHNJEJCGYHUKG-CQSZACIVSA-N -1 1 328.412 3.979 20 0 EHADMM O=C([O-])[C@@H](N[C@@H]1COc2c1cccc2Cl)c1cccc(Cl)c1 ZINC000833168680 601852282 /nfs/dbraw/zinc/85/22/82/601852282.db2.gz ZGCAZBPGRDEDFI-KGLIPLIRSA-N -1 1 338.190 3.842 20 0 EHADMM COc1ccc(-c2n[nH]c(SCc3ccc(C(=O)[O-])s3)n2)cc1 ZINC000832133866 601892135 /nfs/dbraw/zinc/89/21/35/601892135.db2.gz CTTAFWWBSFHJRZ-UHFFFAOYSA-N -1 1 347.421 3.532 20 0 EHADMM CN(Cc1ccsc1C(=O)[O-])Cc1cccc(OC(F)(F)F)c1 ZINC000563966040 601909869 /nfs/dbraw/zinc/90/98/69/601909869.db2.gz IXLSIQCWBINQAK-UHFFFAOYSA-N -1 1 345.342 3.977 20 0 EHADMM Cc1cc(C)c(CSCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263135 607534726 /nfs/dbraw/zinc/53/47/26/607534726.db2.gz MNUXRHONXMYECM-UHFFFAOYSA-N -1 1 325.441 3.620 20 0 EHADMM Cc1cc(C)c(CSCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263135 607534728 /nfs/dbraw/zinc/53/47/28/607534728.db2.gz MNUXRHONXMYECM-UHFFFAOYSA-N -1 1 325.441 3.620 20 0 EHADMM O=C([O-])N1CCC(CCN[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000740499341 602054365 /nfs/dbraw/zinc/05/43/65/602054365.db2.gz GADBJKYMTDAAIM-MRXNPFEDSA-N -1 1 345.468 3.602 20 0 EHADMM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000827309596 602181027 /nfs/dbraw/zinc/18/10/27/602181027.db2.gz CCWUMHVYXJJGHZ-NSHDSACASA-N -1 1 329.400 3.660 20 0 EHADMM Cc1nc(CN2CCC[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000164496968 602237582 /nfs/dbraw/zinc/23/75/82/602237582.db2.gz UNXLIEHMIDLSEO-ZDUSSCGKSA-N -1 1 334.803 3.600 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@@H]2CC(=O)c2cccs2)cc1F ZINC000833093972 602239184 /nfs/dbraw/zinc/23/91/84/602239184.db2.gz NVXORLICMPHSKF-CYBMUJFWSA-N -1 1 347.411 3.823 20 0 EHADMM C[C@H](c1ccccc1Br)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737720327 602536827 /nfs/dbraw/zinc/53/68/27/602536827.db2.gz HOSFFAALFUWJAW-LLVKDONJSA-N -1 1 341.249 3.584 20 0 EHADMM O=C([O-])N1CCCc2cc(NC(=O)c3ccc(O)c(Cl)c3)ccc21 ZINC000740465492 602577057 /nfs/dbraw/zinc/57/70/57/602577057.db2.gz QRHSABNDPHHJLN-UHFFFAOYSA-N -1 1 346.770 3.729 20 0 EHADMM Cc1cccn2cc(CN(CCCC(=O)[O-])Cc3ccccc3)nc12 ZINC000832982198 604802496 /nfs/dbraw/zinc/80/24/96/604802496.db2.gz VPTWSWFZLBWOAL-UHFFFAOYSA-N -1 1 337.423 3.510 20 0 EHADMM C/C(=C\CN1CCc2sc(-c3csc(C)n3)cc2C1)C(=O)[O-] ZINC000833381671 604925665 /nfs/dbraw/zinc/92/56/65/604925665.db2.gz CVQIVHVZYBFGAC-XCVCLJGOSA-N -1 1 334.466 3.569 20 0 EHADMM COc1ccc([C@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccccc2)cc1 ZINC000832244187 604973112 /nfs/dbraw/zinc/97/31/12/604973112.db2.gz AEGRQMWRONYESQ-WOJBJXKFSA-N -1 1 348.402 3.595 20 0 EHADMM C[C@H]1C[C@@H](NCc2cccc(OCC(=O)[O-])c2)c2ccsc2S1 ZINC000833740519 605003038 /nfs/dbraw/zinc/00/30/38/605003038.db2.gz BZKJCFQAFWOLRM-XHDPSFHLSA-N -1 1 349.477 3.927 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000833546752 605058383 /nfs/dbraw/zinc/05/83/83/605058383.db2.gz LPOZZAASLFTGGO-NSHDSACASA-N -1 1 332.787 3.877 20 0 EHADMM CC(C)(C)SCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833446435 605058693 /nfs/dbraw/zinc/05/86/93/605058693.db2.gz AVIULNHTLNDYOA-UHFFFAOYSA-N -1 1 335.429 3.512 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000833680306 605071190 /nfs/dbraw/zinc/07/11/90/605071190.db2.gz HWYHTBDOZPSVRI-JTQLQIEISA-N -1 1 339.338 3.992 20 0 EHADMM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCCO1 ZINC000833559966 605129659 /nfs/dbraw/zinc/12/96/59/605129659.db2.gz JHQYLYFVXVCEJU-CYBMUJFWSA-N -1 1 332.227 3.620 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H](NCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000833413002 605177848 /nfs/dbraw/zinc/17/78/48/605177848.db2.gz GGIAEYVTQGMPIY-SFHVURJKSA-N -1 1 341.455 3.940 20 0 EHADMM O=C([O-])N[C@H](CN[C@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000834150002 605621269 /nfs/dbraw/zinc/62/12/69/605621269.db2.gz KERUKDKFNFRQBN-WOJBJXKFSA-N -1 1 347.418 3.770 20 0 EHADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000833814108 605769295 /nfs/dbraw/zinc/76/92/95/605769295.db2.gz RIASYMSIDBNUKA-UKRRQHHQSA-N -1 1 345.468 3.678 20 0 EHADMM COc1cc(Cl)c(C)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821716647 606420203 /nfs/dbraw/zinc/42/02/03/606420203.db2.gz DJUBJNYRVLOHMC-UHFFFAOYSA-N -1 1 335.820 3.511 20 0 EHADMM c1ccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000823772780 606447738 /nfs/dbraw/zinc/44/77/38/606447738.db2.gz NSCQIQUVXNYGKJ-GOSISDBHSA-N -1 1 342.406 3.756 20 0 EHADMM c1ccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000823772780 606447740 /nfs/dbraw/zinc/44/77/40/606447740.db2.gz NSCQIQUVXNYGKJ-GOSISDBHSA-N -1 1 342.406 3.756 20 0 EHADMM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000821061131 606504773 /nfs/dbraw/zinc/50/47/73/606504773.db2.gz NJTHROYEIOPYFM-UHFFFAOYSA-N -1 1 333.461 3.503 20 0 EHADMM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000821061131 606504774 /nfs/dbraw/zinc/50/47/74/606504774.db2.gz NJTHROYEIOPYFM-UHFFFAOYSA-N -1 1 333.461 3.503 20 0 EHADMM Cc1ccc([C@@H]2[C@@H](C)CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826285009 607901669 /nfs/dbraw/zinc/90/16/69/607901669.db2.gz NKHJWIKGQLTCIB-KSSFIOAISA-N -1 1 334.427 3.548 20 0 EHADMM Cc1ccc([C@@H]2[C@@H](C)CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826285009 607901670 /nfs/dbraw/zinc/90/16/70/607901670.db2.gz NKHJWIKGQLTCIB-KSSFIOAISA-N -1 1 334.427 3.548 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2cccc(F)c2)c(-c2nnn[n-]2)s1 ZINC000824131182 607929924 /nfs/dbraw/zinc/92/99/24/607929924.db2.gz WMMDMSMHYULVBC-UHFFFAOYSA-N -1 1 345.403 3.617 20 0 EHADMM CC(C)(C)c1cc(NC(=O)c2cccc(F)c2)c(-c2nn[n-]n2)s1 ZINC000824131182 607929925 /nfs/dbraw/zinc/92/99/25/607929925.db2.gz WMMDMSMHYULVBC-UHFFFAOYSA-N -1 1 345.403 3.617 20 0 EHADMM Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)s1 ZINC000826282305 607930264 /nfs/dbraw/zinc/93/02/64/607930264.db2.gz IBPWQYIULMHZCD-UHFFFAOYSA-N -1 1 347.469 3.848 20 0 EHADMM Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)s1 ZINC000826282305 607930265 /nfs/dbraw/zinc/93/02/65/607930265.db2.gz IBPWQYIULMHZCD-UHFFFAOYSA-N -1 1 347.469 3.848 20 0 EHADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1OCCC(C)C ZINC000822254718 946032357 /nfs/dbraw/zinc/03/23/57/946032357.db2.gz PLJDVVBXMVFTHE-UHFFFAOYSA-N -1 1 341.415 3.805 20 0 EHADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1OCCC(C)C ZINC000822254718 946032369 /nfs/dbraw/zinc/03/23/69/946032369.db2.gz PLJDVVBXMVFTHE-UHFFFAOYSA-N -1 1 341.415 3.805 20 0 EHADMM O=C([O-])[C@@H](NCc1cccc(Br)c1F)c1ccccc1 ZINC000394818181 951456369 /nfs/dbraw/zinc/45/63/69/951456369.db2.gz OCCDACUJYIOMKN-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM Cc1cccc(C(C)C)c1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000387029492 972098373 /nfs/dbraw/zinc/09/83/73/972098373.db2.gz DWIVECVLOMRJQY-UHFFFAOYSA-N -1 1 339.438 3.679 20 0 EHADMM O=C([O-])c1ccc(CNCc2cccc(OCc3ccccc3)c2)nc1 ZINC000388309777 972164839 /nfs/dbraw/zinc/16/48/39/972164839.db2.gz IIJGJFZEVNQLML-UHFFFAOYSA-N -1 1 348.402 3.649 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1Br ZINC000235360245 960421872 /nfs/dbraw/zinc/42/18/72/960421872.db2.gz GVFSXYTXEZAORE-NXEZZACHSA-N -1 1 346.652 3.788 20 0 EHADMM O=C([O-])COc1ccccc1CN1CCC[C@H]1c1cccc(F)c1 ZINC001231792888 960622758 /nfs/dbraw/zinc/62/27/58/960622758.db2.gz MRVVPBQQSVGMSA-KRWDZBQOSA-N -1 1 329.371 3.626 20 0 EHADMM CC(C)(C)OC(=O)c1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC001588731829 961091806 /nfs/dbraw/zinc/09/18/06/961091806.db2.gz IWXKVYILAVLKNV-UHFFFAOYSA-N -1 1 341.407 3.630 20 0 EHADMM CSc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)s1 ZINC001331962772 961436524 /nfs/dbraw/zinc/43/65/24/961436524.db2.gz HYHPGCXSPKNVDU-BDAKNGLRSA-N -1 1 339.404 3.555 20 0 EHADMM CC(C)Oc1cc(Cl)c(CN2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC001588936397 962506361 /nfs/dbraw/zinc/50/63/61/962506361.db2.gz PNJGOEDMWMPPHG-JTQLQIEISA-N -1 1 332.227 3.687 20 0 EHADMM Cc1cc(Br)ccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000395254415 972782433 /nfs/dbraw/zinc/78/24/33/972782433.db2.gz ZVVRMGGTTRZUAH-UHFFFAOYSA-N -1 1 340.261 3.834 20 0 EHADMM CCn1nc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c2ccccc21 ZINC000417601904 973963386 /nfs/dbraw/zinc/96/33/86/973963386.db2.gz MZKYXQSSZVESOK-KRWDZBQOSA-N -1 1 337.423 3.752 20 0 EHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1csc(Cc2ccccc2)n1 ZINC000530175203 974363954 /nfs/dbraw/zinc/36/39/54/974363954.db2.gz OJNMTCUSIDEVII-ZIAGYGMSSA-N -1 1 344.480 3.808 20 0 EHADMM C[C@@H](CN(C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000566624815 974618092 /nfs/dbraw/zinc/61/80/92/974618092.db2.gz BMVXMAAMCVGQFQ-JTQLQIEISA-N -1 1 342.317 3.513 20 0 EHADMM O=C([O-])c1csc(CN2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000573927459 974773108 /nfs/dbraw/zinc/77/31/08/974773108.db2.gz NHSYCPDFCXLXSX-OAHLLOKOSA-N -1 1 330.453 3.829 20 0 EHADMM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccccc1C(=O)[O-] ZINC000575995352 974805081 /nfs/dbraw/zinc/80/50/81/974805081.db2.gz LQLYCCBBSOSKOJ-SFHVURJKSA-N -1 1 335.407 3.609 20 0 EHADMM O=C([O-])CCN(Cc1ccccc1)Cc1cccnc1C(F)(F)F ZINC000629362177 975083141 /nfs/dbraw/zinc/08/31/41/975083141.db2.gz OXBJINTVBNFQOS-UHFFFAOYSA-N -1 1 338.329 3.577 20 0 EHADMM CC(C)OC(=O)C[C@H](NCc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC001591676925 975452044 /nfs/dbraw/zinc/45/20/44/975452044.db2.gz KHUNOCGTKMRZDU-INIZCTEOSA-N -1 1 347.436 3.619 20 0 EHADMM CC(C)CN(CCC(=O)[O-])Cc1csc(Cc2ccccc2)n1 ZINC000652460298 975541336 /nfs/dbraw/zinc/54/13/36/975541336.db2.gz DMHNFSDKUYCGJF-UHFFFAOYSA-N -1 1 332.469 3.667 20 0 EHADMM CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001591795784 976002291 /nfs/dbraw/zinc/00/22/91/976002291.db2.gz KXMUMAQDSJQYNG-UONOGXRCSA-N -1 1 328.412 3.979 20 0 EHADMM CC(C)c1ccc(OCCN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001591972979 976573834 /nfs/dbraw/zinc/57/38/34/976573834.db2.gz SOAJKSATQRSBCU-LBPRGKRZSA-N -1 1 334.441 3.694 20 0 EHADMM CC(C)c1nc([C@@H]2CCCCN2C[C@H]2CCCC[C@H]2C(=O)[O-])no1 ZINC001592016195 976702817 /nfs/dbraw/zinc/70/28/17/976702817.db2.gz XPKDSNPRKRUVFX-KFWWJZLASA-N -1 1 335.448 3.611 20 0 EHADMM C[C@@H]1c2ccc(F)cc2CCN1CCOc1ccccc1C(=O)[O-] ZINC000823609191 978939098 /nfs/dbraw/zinc/93/90/98/978939098.db2.gz PXMLLPIPLHMCAC-CYBMUJFWSA-N -1 1 329.371 3.522 20 0 EHADMM CCC(CC)(NCC(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001595100990 979403645 /nfs/dbraw/zinc/40/36/45/979403645.db2.gz GCXHLWZJSUEBLK-UHFFFAOYSA-N -1 1 340.423 3.525 20 0 EHADMM Cc1ccc(F)c(CN(C)CCOc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000846256699 979428112 /nfs/dbraw/zinc/42/81/12/979428112.db2.gz JBSYLHQNVWQXRJ-POHAHGRESA-N -1 1 343.398 3.743 20 0 EHADMM CC[C@@](NCc1ccncc1Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901874207 980588781 /nfs/dbraw/zinc/58/87/81/980588781.db2.gz XATAULJOZDOEAJ-INIZCTEOSA-N -1 1 339.222 3.868 20 0 EHADMM CCCN(Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccc(F)cc1 ZINC000902132846 980751030 /nfs/dbraw/zinc/75/10/30/980751030.db2.gz SOCOXJGZOQLDOI-UHFFFAOYSA-N -1 1 347.434 3.526 20 0 EHADMM Cc1cc(CNCc2cc3ccccc3o2)cc(C)c1OCC(=O)[O-] ZINC000902143507 980755475 /nfs/dbraw/zinc/75/54/75/980755475.db2.gz RWFHSNBBTQAQSA-UHFFFAOYSA-N -1 1 339.391 3.803 20 0 EHADMM CCc1oc(CN[C@@H](C)c2cccc(-n3cccn3)c2)cc1C(=O)[O-] ZINC000902263348 980807077 /nfs/dbraw/zinc/80/70/77/980807077.db2.gz VZOWBOICKGGJMO-ZDUSSCGKSA-N -1 1 339.395 3.577 20 0 EHADMM CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCS1 ZINC000902282351 980816288 /nfs/dbraw/zinc/81/62/88/980816288.db2.gz QIKMOJQALRVWPR-MRXNPFEDSA-N -1 1 331.437 3.972 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(C)c(Br)c1 ZINC000902355072 980848844 /nfs/dbraw/zinc/84/88/44/980848844.db2.gz KDVPRWMVKRRYIW-UHFFFAOYSA-N -1 1 338.201 3.647 20 0 EHADMM CCc1oc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902495015 980909848 /nfs/dbraw/zinc/90/98/48/980909848.db2.gz YDUVIEBYHBKXNN-WBVHZDCISA-N -1 1 349.814 3.813 20 0 EHADMM O=C([O-])c1cccc2c(CN3CCS[C@H]4CCCC[C@H]43)ccnc12 ZINC000902522581 980919858 /nfs/dbraw/zinc/91/98/58/980919858.db2.gz BCEFNBXOHCWRPT-SJORKVTESA-N -1 1 342.464 3.793 20 0 EHADMM CCC1(CO)CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001595384339 980931765 /nfs/dbraw/zinc/93/17/65/980931765.db2.gz RLTSYXUQEMFHKY-CQSZACIVSA-N -1 1 346.254 3.604 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000905726099 981124867 /nfs/dbraw/zinc/12/48/67/981124867.db2.gz HJHZBUMPAUVYCG-JTQLQIEISA-N -1 1 340.301 3.529 20 0 EHADMM CC[C@H]1c2ccc(OC)c(OC)c2CCN1Cc1ccoc1C(=O)[O-] ZINC001595503876 981277554 /nfs/dbraw/zinc/27/75/54/981277554.db2.gz GDRNGAGKXILLOQ-HNNXBMFYSA-N -1 1 345.395 3.504 20 0 EHADMM CC[C@H](C)N(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccccc1 ZINC001594982630 982780841 /nfs/dbraw/zinc/78/08/41/982780841.db2.gz MECGQAWRWQNVIS-ZDUSSCGKSA-N -1 1 342.439 3.813 20 0 EHADMM CCCN(CCOc1cccc(C(=O)[O-])c1)Cc1ccc(F)cc1F ZINC001595884187 982905300 /nfs/dbraw/zinc/90/53/00/982905300.db2.gz OFTSLLVUMDIZCA-UHFFFAOYSA-N -1 1 349.377 3.954 20 0 EHADMM CCCOc1ccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)c(C)c1 ZINC001595960462 983151093 /nfs/dbraw/zinc/15/10/93/983151093.db2.gz FCZDFPAPLCRKOC-UHFFFAOYSA-N -1 1 348.830 3.820 20 0 EHADMM CCN(Cc1snc(OC)c1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001596359329 983832766 /nfs/dbraw/zinc/83/27/66/983832766.db2.gz CWULSMVCLHWQGO-UHFFFAOYSA-N -1 1 340.832 3.525 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@@H](C(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599943363 985483788 /nfs/dbraw/zinc/48/37/88/985483788.db2.gz BRELKVJDYUKXHU-LSDHHAIUSA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)C1CC(C)(C)CC(C)(C)C1 ZINC001599957580 985715449 /nfs/dbraw/zinc/71/54/49/985715449.db2.gz QBBUZKMVOIYBHG-UHFFFAOYSA-N -1 1 334.460 3.741 20 0 EHADMM Cc1[nH]c(SCc2nc(C(=O)[O-])cs2)nc1Cc1ccccc1 ZINC001599966030 985907062 /nfs/dbraw/zinc/90/70/62/985907062.db2.gz PVZOQJGIWYDMRZ-UHFFFAOYSA-N -1 1 345.449 3.756 20 0 EHADMM C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC2(CCC2)O1 ZINC001594537690 986162745 /nfs/dbraw/zinc/16/27/45/986162745.db2.gz XIWXHVQWODIFAQ-AWEZNQCLSA-N -1 1 341.407 3.788 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H](NCc1nccn1-c1ccccc1)c1ccccc1 ZINC001589601382 987426621 /nfs/dbraw/zinc/42/66/21/987426621.db2.gz LHJSBQQEURLJKD-IBGZPJMESA-N -1 1 349.434 3.814 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](C2CCC2)C1 ZINC000620207115 1125500013 /nfs/dbraw/zinc/50/00/13/1125500013.db2.gz XJMCGBCXSMJLCJ-ZDUSSCGKSA-N -1 1 338.245 3.807 20 0 EHADMM CC(C)(C)C1=CCN(CCNc2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC001589726755 987913103 /nfs/dbraw/zinc/91/31/03/987913103.db2.gz OXKWGLMNUURCBO-UHFFFAOYSA-N -1 1 343.880 3.585 20 0 EHADMM CCN(CCc1ccccc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000179463911 1015396989 /nfs/dbraw/zinc/39/69/89/1015396989.db2.gz RMMWWJFBMIFEQP-UHFFFAOYSA-N -1 1 348.240 3.860 20 0 EHADMM CCc1noc(C)c1CN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597742611 989109322 /nfs/dbraw/zinc/10/93/22/989109322.db2.gz UBSZONFPPIBANI-CQSZACIVSA-N -1 1 343.210 3.768 20 0 EHADMM O=C([N-]c1c(F)cc(F)cc1F)c1csc([C@@H]2CCCO2)n1 ZINC000339658971 1015476239 /nfs/dbraw/zinc/47/62/39/1015476239.db2.gz UNCXLNKVOVTWPB-NSHDSACASA-N -1 1 328.315 3.664 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000471194434 1015480313 /nfs/dbraw/zinc/48/03/13/1015480313.db2.gz KMISGKYMUCFGKK-GFCCVEGCSA-N -1 1 341.440 3.569 20 0 EHADMM CC(C)(C)OC(=O)c1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC001590369618 989858930 /nfs/dbraw/zinc/85/89/30/989858930.db2.gz VEPCXUUDOSJEOU-UHFFFAOYSA-N -1 1 341.407 3.630 20 0 EHADMM CC(C)(C)OC1CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC001590379389 989888552 /nfs/dbraw/zinc/88/85/52/989888552.db2.gz QHLMVOZMACECLY-UHFFFAOYSA-N -1 1 325.836 3.818 20 0 EHADMM CC(C)(C)c1coc(CNC[C@H]2CCCc3ccc(C(=O)[O-])cc32)n1 ZINC001590527066 990139618 /nfs/dbraw/zinc/13/96/18/990139618.db2.gz PZJPRNKIHWEWLJ-OAHLLOKOSA-N -1 1 342.439 3.880 20 0 EHADMM CC(C)(C)c1csc(C(=Cc2ccc3nc[nH]c3c2)C(=O)[O-])n1 ZINC001590527054 990139663 /nfs/dbraw/zinc/13/96/63/990139663.db2.gz PLBZYSDSCZQWFP-IZZDOVSWSA-N -1 1 327.409 3.942 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000339815961 1015698800 /nfs/dbraw/zinc/69/88/00/1015698800.db2.gz TZULETUYOYLRGK-OAHLLOKOSA-N -1 1 347.212 3.527 20 0 EHADMM CC(C)C[N@@H+](Cc1ccccc1F)Cc1ccccc1OCC(=O)[O-] ZINC001591343862 992327250 /nfs/dbraw/zinc/32/72/50/992327250.db2.gz HPJGHLCEYHFTLM-UHFFFAOYSA-N -1 1 345.414 3.947 20 0 EHADMM CC(C)CN(Cc1ccccc1F)Cc1ccccc1OCC(=O)[O-] ZINC001591343862 992327260 /nfs/dbraw/zinc/32/72/60/992327260.db2.gz HPJGHLCEYHFTLM-UHFFFAOYSA-N -1 1 345.414 3.947 20 0 EHADMM CC(C)COc1ccccc1CN[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001591409463 992485168 /nfs/dbraw/zinc/48/51/68/992485168.db2.gz IUKKHUOPGVAZDS-CQSZACIVSA-N -1 1 328.412 3.665 20 0 EHADMM CN(Cc1cc(F)ccc1OC(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC001598508735 992539506 /nfs/dbraw/zinc/53/95/06/992539506.db2.gz ZEWINPSRYQMFNS-HNNXBMFYSA-N -1 1 339.313 3.685 20 0 EHADMM O=C(CC[C@H]1CCCCO1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000339844416 1015736605 /nfs/dbraw/zinc/73/66/05/1015736605.db2.gz YHHUIJFDJCECAX-SNVBAGLBSA-N -1 1 339.848 3.501 20 0 EHADMM CN(Cc1cscc1Br)C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598536094 992840882 /nfs/dbraw/zinc/84/08/82/992840882.db2.gz LGFJLKHNQGSZPD-PWSUYJOCSA-N -1 1 346.290 3.833 20 0 EHADMM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(Br)cc2F)C1 ZINC000232749246 1015760934 /nfs/dbraw/zinc/76/09/34/1015760934.db2.gz HKIOSODOMXZUHA-HNNXBMFYSA-N -1 1 344.224 3.521 20 0 EHADMM COc1ccc([C@H](C)NCc2cc(C(=O)[O-])sc2C)c(OC)c1 ZINC001599621187 994085840 /nfs/dbraw/zinc/08/58/40/994085840.db2.gz ALXVHMPKJJMYRK-JTQLQIEISA-N -1 1 335.425 3.623 20 0 EHADMM C[C@@H](N[C@@H](C)c1ncc(C(C)(C)C)o1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593197449 994163742 /nfs/dbraw/zinc/16/37/42/994163742.db2.gz KDGQQLVIRNWXKP-YCPHGPKFSA-N -1 1 344.455 3.955 20 0 EHADMM COc1cccc(-c2nc(CN(C)C(C)(C)CC(=O)[O-])cs2)c1 ZINC001599640805 994355378 /nfs/dbraw/zinc/35/53/78/994355378.db2.gz SNHPXJSBSLZVOM-UHFFFAOYSA-N -1 1 334.441 3.504 20 0 EHADMM C[C@@H](NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(C(=O)[O-])co1 ZINC001593246859 994458742 /nfs/dbraw/zinc/45/87/42/994458742.db2.gz OOTNENFHAMDGFN-PRHODGIISA-N -1 1 344.194 3.669 20 0 EHADMM C[C@@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1cc(C(=O)[O-])co1 ZINC001593248236 994470837 /nfs/dbraw/zinc/47/08/37/994470837.db2.gz TXQWRGBBNDXZAK-OQPBUACISA-N -1 1 344.194 3.669 20 0 EHADMM C[C@@H](NCCOc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC001593272384 994610996 /nfs/dbraw/zinc/61/09/96/994610996.db2.gz RPQVUGPXJHDROE-GFCCVEGCSA-N -1 1 342.420 3.724 20 0 EHADMM C[C@@H](NCc1ccc(Br)o1)c1cc(C(=O)[O-])cs1 ZINC001593292023 994672956 /nfs/dbraw/zinc/67/29/56/994672956.db2.gz GFCKBZRTRPDYBE-SSDOTTSWSA-N -1 1 330.203 3.653 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1cc(C(=O)[O-])co1 ZINC001593295150 994687869 /nfs/dbraw/zinc/68/78/69/994687869.db2.gz ACQZPNSCVDVVMX-GFCCVEGCSA-N -1 1 345.395 3.784 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)ccc1F ZINC000109423340 1015933937 /nfs/dbraw/zinc/93/39/37/1015933937.db2.gz JMTSZXGFJWIDHM-UHFFFAOYSA-N -1 1 334.416 3.535 20 0 EHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001593726123 996287909 /nfs/dbraw/zinc/28/79/09/996287909.db2.gz ZVQHAEJJKRLEIS-GFCCVEGCSA-N -1 1 339.395 3.795 20 0 EHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001593728139 996288800 /nfs/dbraw/zinc/28/88/00/996288800.db2.gz CADSEDYYOQFBRV-XOBRGWDASA-N -1 1 340.423 3.804 20 0 EHADMM CC1(C)CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCS1 ZINC001593941074 996955428 /nfs/dbraw/zinc/95/54/28/996955428.db2.gz VJXPCWWSTOTXGC-LBPRGKRZSA-N -1 1 334.268 3.947 20 0 EHADMM COc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599421474 997601897 /nfs/dbraw/zinc/60/18/97/997601897.db2.gz SWACRLFKYLBEOV-QGZVFWFLSA-N -1 1 333.815 3.881 20 0 EHADMM COc1ccc([C@H](NCc2cccc(F)c2F)C(=O)[O-])cc1Cl ZINC001599531882 997670424 /nfs/dbraw/zinc/67/04/24/997670424.db2.gz PEKOCUNUUDYNFC-HNNXBMFYSA-N -1 1 341.741 3.542 20 0 EHADMM CO[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@H](C)C1 ZINC001599122744 997769978 /nfs/dbraw/zinc/76/99/78/997769978.db2.gz FKYWCZVBMDKNMG-MLGOLLRUSA-N -1 1 346.452 3.508 20 0 EHADMM COc1cc2ccccc2cc1CN(CCC(F)(F)F)CC(=O)[O-] ZINC001599466557 998372077 /nfs/dbraw/zinc/37/20/77/998372077.db2.gz KQXKEHAFIPWQPN-UHFFFAOYSA-N -1 1 341.329 3.687 20 0 EHADMM Cc1oc(CN(C)Cc2cccc(Br)c2)cc1C(=O)[O-] ZINC000048891681 1016461681 /nfs/dbraw/zinc/46/16/81/1016461681.db2.gz XHKTZKQIPYTWHS-UHFFFAOYSA-N -1 1 338.201 3.681 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 ZINC000613562557 1016570920 /nfs/dbraw/zinc/57/09/20/1016570920.db2.gz QIANBNBFLKDBAI-NSHDSACASA-N -1 1 339.416 3.835 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000188086968 1016896294 /nfs/dbraw/zinc/89/62/94/1016896294.db2.gz SZHGOOQAOQURCO-UZNLNLPZSA-N -1 1 346.496 3.598 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(OCc2cccnc2)c1 ZINC000340327635 1016950945 /nfs/dbraw/zinc/95/09/45/1016950945.db2.gz BAGZFIINQYIGHL-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM Cc1cccc(-c2noc(CSc3nc(C4CC4)cc(=O)[n-]3)n2)c1 ZINC000188131345 1017061575 /nfs/dbraw/zinc/06/15/75/1017061575.db2.gz SSGPIJKSUDLXSS-UHFFFAOYSA-N -1 1 340.408 3.710 20 0 EHADMM CC(C)(C)OC(=O)CCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000594326395 1033305041 /nfs/dbraw/zinc/30/50/41/1033305041.db2.gz VUJXRWSXGAWQTJ-UHFFFAOYSA-N -1 1 327.808 3.886 20 0 EHADMM Cc1ccc(C(=O)Nc2nnn[n-]2)c(Sc2ccc(Cl)cc2)c1 ZINC000183676120 1032192286 /nfs/dbraw/zinc/19/22/86/1032192286.db2.gz ILPTWAJDBSGNSP-UHFFFAOYSA-N -1 1 345.815 3.565 20 0 EHADMM Cc1ccc(C(=O)Nc2nn[n-]n2)c(Sc2ccc(Cl)cc2)c1 ZINC000183676120 1032192296 /nfs/dbraw/zinc/19/22/96/1032192296.db2.gz ILPTWAJDBSGNSP-UHFFFAOYSA-N -1 1 345.815 3.565 20 0 EHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000538299386 1032280695 /nfs/dbraw/zinc/28/06/95/1032280695.db2.gz VEEBCLLLLCHTAN-UHFFFAOYSA-N -1 1 347.383 3.935 20 0 EHADMM C[C@H]1CCCN(Cc2ccc(Br)cc2Cl)[C@H]1C(=O)[O-] ZINC000300275986 1032565386 /nfs/dbraw/zinc/56/53/86/1032565386.db2.gz YJRURSAZMSWJQE-TVQRCGJNSA-N -1 1 346.652 3.788 20 0 EHADMM Cc1csc([C@H](C)CNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000182617071 1017129367 /nfs/dbraw/zinc/12/93/67/1017129367.db2.gz UUWIOXDLOJGAKS-LLVKDONJSA-N -1 1 326.421 3.844 20 0 EHADMM O=C([N-][C@@H]1CCc2cc(F)ccc21)C(F)(F)c1cc(F)cc(F)c1 ZINC001125357459 1017197697 /nfs/dbraw/zinc/19/76/97/1017197697.db2.gz ZKUGIWPNSALYEV-OAHLLOKOSA-N -1 1 341.279 3.999 20 0 EHADMM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613638496 1017346579 /nfs/dbraw/zinc/34/65/79/1017346579.db2.gz STYHMHYOFVHQTP-GXFFZTMASA-N -1 1 338.329 3.743 20 0 EHADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613638495 1017347245 /nfs/dbraw/zinc/34/72/45/1017347245.db2.gz STYHMHYOFVHQTP-GWCFXTLKSA-N -1 1 338.329 3.743 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(Cl)c(Br)c2)C1 ZINC000137272864 1032706238 /nfs/dbraw/zinc/70/62/38/1032706238.db2.gz RHWMZEFZRFWXNO-SNVBAGLBSA-N -1 1 346.652 3.789 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000683645733 1017856172 /nfs/dbraw/zinc/85/61/72/1017856172.db2.gz KAAXCUIQQULWFB-UHFFFAOYSA-N -1 1 344.773 3.795 20 0 EHADMM CCCCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119757 1018059423 /nfs/dbraw/zinc/05/94/23/1018059423.db2.gz CYXGDFXZLHNBAI-UHFFFAOYSA-N -1 1 346.452 3.925 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1 ZINC000135937615 1018388479 /nfs/dbraw/zinc/38/84/79/1018388479.db2.gz OTMAQUWYBNSEHE-UHFFFAOYSA-N -1 1 330.434 3.758 20 0 EHADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001625893357 1018586885 /nfs/dbraw/zinc/58/68/85/1018586885.db2.gz HMSRKUIALDVHHR-MRVPVSSYSA-N -1 1 327.714 3.730 20 0 EHADMM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1csc2ccccc21 ZINC000580118609 1018661320 /nfs/dbraw/zinc/66/13/20/1018661320.db2.gz ITWVLYBBVJXQHS-LBPRGKRZSA-N -1 1 335.372 3.521 20 0 EHADMM CCOc1cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)ccc1C ZINC000500949563 1018743056 /nfs/dbraw/zinc/74/30/56/1018743056.db2.gz MKKLOBCWVWYYNZ-UHFFFAOYSA-N -1 1 327.409 3.520 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c1 ZINC000433507448 1019026823 /nfs/dbraw/zinc/02/68/23/1019026823.db2.gz KRABCBJJUIYIJR-UHFFFAOYSA-N -1 1 346.452 3.644 20 0 EHADMM COc1ccc(Br)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000089541406 1019186903 /nfs/dbraw/zinc/18/69/03/1019186903.db2.gz UMDACKMZBZWQAU-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)nc1 ZINC000340686292 1019321718 /nfs/dbraw/zinc/32/17/18/1019321718.db2.gz YDJHVBPEQPIJLM-OAHLLOKOSA-N -1 1 338.329 3.714 20 0 EHADMM CCc1ocnc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000606775775 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Cc1cccc([C@@H](NCc2cccc(OC3CC3)c2F)C(=O)[O-])c1C ZINC000656572308 1020942202 /nfs/dbraw/zinc/94/22/02/1020942202.db2.gz GVZVPGADCNDYBH-LJQANCHMSA-N -1 1 343.398 3.899 20 0 EHADMM Cn1nc(C(F)F)c2cc(C(=O)Nc3c([O-])cccc3F)sc21 ZINC000684294071 1021054004 /nfs/dbraw/zinc/05/40/04/1021054004.db2.gz YYSSXNOHYDAEKN-UHFFFAOYSA-N -1 1 341.314 3.669 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)C=CCCC2)c1ccc2c(c1)COC2 ZINC000656635764 1021066374 /nfs/dbraw/zinc/06/63/74/1021066374.db2.gz GEUAOMBNHAYASY-UHFFFAOYSA-N -1 1 341.432 3.867 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCSc2ccccc21 ZINC000439118333 1021162987 /nfs/dbraw/zinc/16/29/87/1021162987.db2.gz MEYAQTWURCQPBF-GFCCVEGCSA-N -1 1 341.461 3.778 20 0 EHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1nc2ccccc2n1C ZINC000436799433 1021221683 /nfs/dbraw/zinc/22/16/83/1021221683.db2.gz YDYWMPSQZWLJJS-CYBMUJFWSA-N -1 1 345.402 3.923 20 0 EHADMM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000656737690 1021224329 /nfs/dbraw/zinc/22/43/29/1021224329.db2.gz 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O=C(NCc1nc2cc(Cl)ccc2s1)c1c([O-])cccc1F ZINC000436961255 1021423952 /nfs/dbraw/zinc/42/39/52/1021423952.db2.gz MFNZUIYOHCAFOY-UHFFFAOYSA-N -1 1 336.775 3.724 20 0 EHADMM CCCN(C)C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430636421 1021441286 /nfs/dbraw/zinc/44/12/86/1021441286.db2.gz YQWXTQAQBQPYCC-UHFFFAOYSA-N -1 1 336.391 3.802 20 0 EHADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)c1cc(F)ccc1F ZINC000518840883 1021620472 /nfs/dbraw/zinc/62/04/72/1021620472.db2.gz AMHYFZLXNUHCEV-ZCFIWIBFSA-N -1 1 346.305 3.762 20 0 EHADMM CSc1c(F)cccc1C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000437392203 1021779883 /nfs/dbraw/zinc/77/98/83/1021779883.db2.gz WJTSIAQBMPYNOB-UHFFFAOYSA-N -1 1 347.440 3.982 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cc(-c3ccc(C)cc3)no2)n1 ZINC000188112200 1021825546 /nfs/dbraw/zinc/82/55/46/1021825546.db2.gz BPQLEOYGQJNIHV-UHFFFAOYSA-N -1 1 327.409 3.588 20 0 EHADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C ZINC000519121606 1021875364 /nfs/dbraw/zinc/87/53/64/1021875364.db2.gz 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Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCc3cccnc32)c1 ZINC000425247615 1024504007 /nfs/dbraw/zinc/50/40/07/1024504007.db2.gz OOWBYBRSTFFGNC-NSHDSACASA-N -1 1 347.212 3.527 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)c([O-])c1 ZINC000011766404 1024516874 /nfs/dbraw/zinc/51/68/74/1024516874.db2.gz YDJSXTOULFHMFG-UHFFFAOYSA-N -1 1 326.396 3.562 20 0 EHADMM CCCCOc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000280860668 1024533092 /nfs/dbraw/zinc/53/30/92/1024533092.db2.gz XAFPVEAHEFSIJE-UHFFFAOYSA-N -1 1 335.350 3.779 20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000607613286 1033217862 /nfs/dbraw/zinc/21/78/62/1033217862.db2.gz UYRJVAJYFBXUQJ-UHFFFAOYSA-N -1 1 342.420 3.824 20 0 EHADMM COc1cc([N-]S(=O)(=O)C2=CCCCC2)c(OC)cc1Cl ZINC000281130957 1024682481 /nfs/dbraw/zinc/68/24/81/1024682481.db2.gz JCEDMLLWQWMEOJ-UHFFFAOYSA-N -1 1 331.821 3.557 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c1 ZINC000514840470 1024780838 /nfs/dbraw/zinc/78/08/38/1024780838.db2.gz 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Cc1nc(-c2ccc(N3CCC[C@H](C4CCC4)C3)nc2)[n-]c(=O)c1C ZINC000664566174 1025824539 /nfs/dbraw/zinc/82/45/39/1025824539.db2.gz XQTWVWHUBZAMFY-KRWDZBQOSA-N -1 1 338.455 3.878 20 0 EHADMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000436548951 1025852088 /nfs/dbraw/zinc/85/20/88/1025852088.db2.gz DKANICFLRCAMKB-GFCCVEGCSA-N -1 1 344.386 3.620 20 0 EHADMM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436554329 1025861839 /nfs/dbraw/zinc/86/18/39/1025861839.db2.gz KIKKALVLQHXAPC-MRXNPFEDSA-N -1 1 327.424 3.967 20 0 EHADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C1(C)C ZINC000436562795 1025888044 /nfs/dbraw/zinc/88/80/44/1025888044.db2.gz OESYICPBTPQINH-QZTJIDSGSA-N -1 1 327.424 3.821 20 0 EHADMM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1[O-] ZINC000436593436 1025912095 /nfs/dbraw/zinc/91/20/95/1025912095.db2.gz BURNWSZUKYVWFM-UHFFFAOYSA-N -1 1 338.388 3.703 20 0 EHADMM O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000436595405 1025914355 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O=C(NC[C@H]1CCOc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000436642320 1025992048 /nfs/dbraw/zinc/99/20/48/1025992048.db2.gz ATXHDDIHYTZTBM-OAHLLOKOSA-N -1 1 333.387 3.842 20 0 EHADMM COc1ccc(Cl)cc1Cc1noc(-c2ccc([O-])cc2F)n1 ZINC000436690887 1026048339 /nfs/dbraw/zinc/04/83/39/1026048339.db2.gz RHMXPPSUUYHPEM-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1cccc(Cl)c1 ZINC000045095895 1026059230 /nfs/dbraw/zinc/05/92/30/1026059230.db2.gz RGVUZRASPZGSST-UHFFFAOYSA-N -1 1 333.800 3.531 20 0 EHADMM O=C(Nc1ccc(N2CCCC2)nc1)c1cc2ccccc2cc1[O-] ZINC000436704854 1026067570 /nfs/dbraw/zinc/06/75/70/1026067570.db2.gz QFBBAUNYPHTDLC-UHFFFAOYSA-N -1 1 333.391 3.793 20 0 EHADMM O=C(Nc1ccccc1Nc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436706257 1026071486 /nfs/dbraw/zinc/07/14/86/1026071486.db2.gz LYTGLLKAJFTKJI-UHFFFAOYSA-N -1 1 332.359 3.957 20 0 EHADMM O=C(NCc1ccc(OC2CCCC2)cc1)c1ccc([O-])cc1F ZINC000436726025 1026073479 /nfs/dbraw/zinc/07/34/79/1026073479.db2.gz UQLXLRUNPQJKTQ-UHFFFAOYSA-N -1 1 329.371 3.783 20 0 EHADMM C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])CC12CCC2 ZINC000436716665 1026086756 /nfs/dbraw/zinc/08/67/56/1026086756.db2.gz UUTGKMRXGGICDC-LLVKDONJSA-N -1 1 338.245 3.807 20 0 EHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000436719730 1026091551 /nfs/dbraw/zinc/09/15/51/1026091551.db2.gz PUBCKFLJCZVYIM-MRXNPFEDSA-N -1 1 344.842 3.787 20 0 EHADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1nc2ccccc2[nH]1 ZINC000436762210 1026129794 /nfs/dbraw/zinc/12/97/94/1026129794.db2.gz CXROWGWTGNDLJF-VIFPVBQESA-N -1 1 349.312 3.778 20 0 EHADMM CCC[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436750999 1026139383 /nfs/dbraw/zinc/13/93/83/1026139383.db2.gz QGTQGZBXADRMNK-NSHDSACASA-N -1 1 326.234 3.807 20 0 EHADMM CCC(CC)(Cc1nc2ccccc2s1)C(=O)[N-]OCC(F)F ZINC000760142074 1026166218 /nfs/dbraw/zinc/16/62/18/1026166218.db2.gz QZWGZZPJIGNUAW-UHFFFAOYSA-N -1 1 342.411 3.958 20 0 EHADMM CCCO[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000684873066 1026269767 /nfs/dbraw/zinc/26/97/67/1026269767.db2.gz FORFHQWGDJAKQA-ZDUSSCGKSA-N -1 1 345.361 3.832 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000193481881 1026397481 /nfs/dbraw/zinc/39/74/81/1026397481.db2.gz IKEFBUHSFXOZJS-UHFFFAOYSA-N -1 1 328.393 3.561 20 0 EHADMM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000452392849 1026707433 /nfs/dbraw/zinc/70/74/33/1026707433.db2.gz ASUBJWMQTMBSGK-KBPBESRZSA-N -1 1 331.362 3.984 20 0 EHADMM Cc1occc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444364701 1026750058 /nfs/dbraw/zinc/75/00/58/1026750058.db2.gz NAXSZQAHXZMEBU-UHFFFAOYSA-N -1 1 342.395 3.608 20 0 EHADMM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)s1 ZINC000301374158 1026781534 /nfs/dbraw/zinc/78/15/34/1026781534.db2.gz QSUPLVZKHHZVFR-UHFFFAOYSA-N -1 1 326.425 3.843 20 0 EHADMM O=c1[n-]c(-c2nc3ccccc3o2)nc2ccc(Br)cc12 ZINC000487473123 1026791283 /nfs/dbraw/zinc/79/12/83/1026791283.db2.gz MOLAFQUWTCSGSJ-UHFFFAOYSA-N -1 1 342.152 3.906 20 0 EHADMM O=C(Cc1ccc(Cl)cc1)N[N-]C(=O)c1cc2ccccc2s1 ZINC000022976379 1027026384 /nfs/dbraw/zinc/02/63/84/1027026384.db2.gz DHZBRVKTNVAIPN-UHFFFAOYSA-N -1 1 344.823 3.558 20 0 EHADMM Cc1nc(-c2ccc(N3CC[C@@]4(CC[C@H](C)C4)C3)nc2)[n-]c(=O)c1C ZINC000302036860 1027029826 /nfs/dbraw/zinc/02/98/26/1027029826.db2.gz FVHKFJMGAMYNLV-RNODOKPDSA-N -1 1 338.455 3.878 20 0 EHADMM CS[C@@H]1CCC[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000078267284 1027594253 /nfs/dbraw/zinc/59/42/53/1027594253.db2.gz HVKKIRISKGSUMF-LSDHHAIUSA-N -1 1 344.484 3.535 20 0 EHADMM O=S(=O)(CCCc1ccccc1)[N-][C@@H](c1ccccc1)C(F)F ZINC001211936759 1027647153 /nfs/dbraw/zinc/64/71/53/1027647153.db2.gz GLARCPAXQJFKSD-INIZCTEOSA-N -1 1 339.407 3.545 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000078328956 1027664129 /nfs/dbraw/zinc/66/41/29/1027664129.db2.gz KCTDYHIVXAGUDX-SFHVURJKSA-N -1 1 345.826 3.631 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC([C@H](O)c2ccccc2)CC1 ZINC000078328961 1027664512 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PVFKFTHOEKCWHL-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM [O-]c1ccc(-c2noc(/C=C\c3cnn(-c4ccccc4)c3)n2)cc1F ZINC000445479822 1028836300 /nfs/dbraw/zinc/83/63/00/1028836300.db2.gz IDBYAVPOONYQBW-TWGQIWQCSA-N -1 1 348.337 3.937 20 0 EHADMM CCOc1ccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445481424 1028839832 /nfs/dbraw/zinc/83/98/32/1028839832.db2.gz OXRXRTJWVUSWRQ-UHFFFAOYSA-N -1 1 330.315 3.559 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(F)cc1F ZINC000524122237 1028893637 /nfs/dbraw/zinc/89/36/37/1028893637.db2.gz JSYKQGIOJGTKMP-AWEZNQCLSA-N -1 1 347.333 3.673 20 0 EHADMM C[C@@H]1CCCN(Cc2cc(Br)ccc2Cl)[C@H]1C(=O)[O-] ZINC000424271452 1028944815 /nfs/dbraw/zinc/94/48/15/1028944815.db2.gz PBGUWMNFGCSZQX-NOZJJQNGSA-N -1 1 346.652 3.788 20 0 EHADMM CCOc1cc(-c2noc([C@@H](C)CSC)n2)cc(Cl)c1[O-] ZINC000278097747 1028972366 /nfs/dbraw/zinc/97/23/66/1028972366.db2.gz PEUGTEAKUIVBMZ-QMMMGPOBSA-N -1 1 328.821 3.961 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)c(F)cc1F 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COc1cc([N-]S(=O)(=O)c2ccccc2C)ccc1C(F)(F)F ZINC000447777938 1030477489 /nfs/dbraw/zinc/47/74/89/1030477489.db2.gz NRUJJFYJZSPIPW-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129540428 1030487098 /nfs/dbraw/zinc/48/70/98/1030487098.db2.gz MUUWWMPBNHUPNE-UHFFFAOYSA-N -1 1 349.843 3.996 20 0 EHADMM CCC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000532363488 1030581578 /nfs/dbraw/zinc/58/15/78/1030581578.db2.gz VOAVUAHZSGDHNO-UHFFFAOYSA-N -1 1 348.196 4.000 20 0 EHADMM CCN(Cc1cccs1)C(=O)c1cc(Br)ccc1[O-] ZINC000193566782 1030590245 /nfs/dbraw/zinc/59/02/45/1030590245.db2.gz FLNQRYBNWZJYIP-UHFFFAOYSA-N -1 1 340.242 3.879 20 0 EHADMM CN(C(=O)c1cccc(NC(=O)c2ccccc2[O-])c1)c1ccccc1 ZINC000122576340 1030689540 /nfs/dbraw/zinc/68/95/40/1030689540.db2.gz JCUYVBFGMONALU-UHFFFAOYSA-N -1 1 346.386 3.921 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927290293 1030724617 /nfs/dbraw/zinc/72/46/17/1030724617.db2.gz 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CCCc1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)no1 ZINC000448902597 1031861766 /nfs/dbraw/zinc/86/17/66/1031861766.db2.gz BZEFPTJXVWPISG-UHFFFAOYSA-N -1 1 334.426 3.768 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc4ccc(F)cc4c3)n2)c(F)c1 ZINC000445455201 1031873441 /nfs/dbraw/zinc/87/34/41/1031873441.db2.gz JLWNKVDVWYVFGO-UHFFFAOYSA-N -1 1 325.274 3.936 20 0 EHADMM COc1ccc(-c2noc(Cc3ccc([O-])c(Cl)c3)n2)cc1OC ZINC000904280712 1031917668 /nfs/dbraw/zinc/91/76/68/1031917668.db2.gz JIYNHYUOLFORAG-UHFFFAOYSA-N -1 1 346.770 3.704 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2ccc(Br)cc2C)n1 ZINC000195064949 1031999294 /nfs/dbraw/zinc/99/92/94/1031999294.db2.gz QCXQDCARBTZEQV-UHFFFAOYSA-N -1 1 339.258 3.696 20 0 EHADMM CCN(CC(C)C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000031377280 1032017101 /nfs/dbraw/zinc/01/71/01/1032017101.db2.gz QQEWNMZXFFIPRF-UHFFFAOYSA-N -1 1 346.500 3.811 20 0 EHADMM CCO[C@@H](C)c1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000195086544 1032028360 /nfs/dbraw/zinc/02/83/60/1032028360.db2.gz GJJOSURPLSCVNR-VIFPVBQESA-N -1 1 337.470 3.906 20 0 EHADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ncc3ccccc3c2[O-])s1 ZINC000668401380 1032035480 /nfs/dbraw/zinc/03/54/80/1032035480.db2.gz UMKGUTKBIVGOSN-LLVKDONJSA-N -1 1 341.436 3.847 20 0 EHADMM O=C(NCCc1ccc(Cl)cc1Cl)c1c(F)ccc([O-])c1F ZINC000685408310 1033300413 /nfs/dbraw/zinc/30/04/13/1033300413.db2.gz HMUZXFFJMUITKE-UHFFFAOYSA-N -1 1 346.160 3.950 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CC2(CCC2)c2c1cccc2F ZINC000685428999 1033327442 /nfs/dbraw/zinc/32/74/42/1033327442.db2.gz SQAKTRHOQLCKQQ-UHFFFAOYSA-N -1 1 333.309 3.892 20 0 EHADMM O=C(CCSc1ccc(F)cc1)Nc1cc(F)cc(F)c1[O-] ZINC001142537786 1033366969 /nfs/dbraw/zinc/36/69/69/1033366969.db2.gz TUIZNZYGOFVJCF-UHFFFAOYSA-N -1 1 327.327 3.930 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1csc(Cc2ccccc2F)n1 ZINC000608367047 1033639198 /nfs/dbraw/zinc/63/91/98/1033639198.db2.gz SCKVDKYEFQOMSX-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cnc(Cc2ccc(F)cc2)s1 ZINC000608366206 1033639332 /nfs/dbraw/zinc/63/93/32/1033639332.db2.gz FWNAMSMRRGJEOG-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM CCc1nc2ccc(C(=O)Nc3c([O-])cccc3F)cc2nc1CC ZINC000608365408 1033639387 /nfs/dbraw/zinc/63/93/87/1033639387.db2.gz JJERSOUMRXFPLE-UHFFFAOYSA-N -1 1 339.370 3.852 20 0 EHADMM Cc1ccc(C)n1-c1nc(CC(=O)Nc2c([O-])cccc2F)cs1 ZINC000608367483 1033642766 /nfs/dbraw/zinc/64/27/66/1033642766.db2.gz RRUADLDZACWCIG-UHFFFAOYSA-N -1 1 345.399 3.577 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)c1 ZINC000608755253 1033870298 /nfs/dbraw/zinc/87/02/98/1033870298.db2.gz TVEAMECFYPPNPY-UHFFFAOYSA-N -1 1 349.452 3.921 20 0 EHADMM COc1ccc(OCCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445445965 1033914136 /nfs/dbraw/zinc/91/41/36/1033914136.db2.gz BRZBZKIRTRFGIB-UHFFFAOYSA-N -1 1 346.770 3.726 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cc2ccccc2)[nH]n1 ZINC000550715893 1033930338 /nfs/dbraw/zinc/93/03/38/1033930338.db2.gz UIAQAMQCCGKMMR-UHFFFAOYSA-N -1 1 327.771 3.612 20 0 EHADMM CCN(CC)[C@@H](CN=c1[n-]nc(-c2ccccc2)s1)c1ccco1 ZINC000599577491 1034021984 /nfs/dbraw/zinc/02/19/84/1034021984.db2.gz VQBXBOKLMOSZTL-HNNXBMFYSA-N -1 1 342.468 3.715 20 0 EHADMM CCOc1cc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc(Cl)c1[O-] ZINC000456092369 1034110091 /nfs/dbraw/zinc/11/00/91/1034110091.db2.gz ISCYSSRHVLJESC-DGFNZTNHSA-N -1 1 347.842 3.729 20 0 EHADMM CCOc1cc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc(Cl)c1[O-] ZINC000456092370 1034110665 /nfs/dbraw/zinc/11/06/65/1034110665.db2.gz ISCYSSRHVLJESC-KTFSFXJSSA-N -1 1 347.842 3.729 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1(CF)CCOCC1 ZINC000529539300 1034169753 /nfs/dbraw/zinc/16/97/53/1034169753.db2.gz QIUCQBJTBUTCOP-UHFFFAOYSA-N -1 1 337.778 3.904 20 0 EHADMM [O-]c1cccc(CN2CCN(c3cccc4[nH]ccc43)CC2)c1Cl ZINC000529670099 1034396522 /nfs/dbraw/zinc/39/65/22/1034396522.db2.gz RBDKKHJKYQDFQZ-UHFFFAOYSA-N -1 1 341.842 3.849 20 0 EHADMM COc1ccc([C@H](C)N=c2[n-]c(C(C)=O)c(C)s2)c(C)c1OC ZINC000450530183 1034488473 /nfs/dbraw/zinc/48/84/73/1034488473.db2.gz XZTPIVBMOZTATH-JTQLQIEISA-N -1 1 334.441 3.575 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cccc(F)c1F ZINC000534554758 1034669758 /nfs/dbraw/zinc/66/97/58/1034669758.db2.gz UXOIYODMCMMWPB-UHFFFAOYSA-N -1 1 339.754 3.744 20 0 EHADMM COCc1cccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1 ZINC000534554714 1034672247 /nfs/dbraw/zinc/67/22/47/1034672247.db2.gz VAYOXPWGROWGBH-UHFFFAOYSA-N -1 1 347.827 3.612 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1cnn(-c2ccccc2Cl)c1 ZINC000605440136 1034736419 /nfs/dbraw/zinc/73/64/19/1034736419.db2.gz LDFHZVKMCZJYJI-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM O=C(CCc1ncc(-c2ccccc2)o1)Nc1c([O-])cccc1F ZINC000605439228 1034736461 /nfs/dbraw/zinc/73/64/61/1034736461.db2.gz GACDIHAXRROLFI-UHFFFAOYSA-N -1 1 326.327 3.758 20 0 EHADMM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456795059 1034737339 /nfs/dbraw/zinc/73/73/39/1034737339.db2.gz RWANTTUAFGIMEN-UHFFFAOYSA-N -1 1 326.368 3.985 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1 ZINC000605494097 1034769438 /nfs/dbraw/zinc/76/94/38/1034769438.db2.gz LWNUJXTXFBIGGY-LLVKDONJSA-N -1 1 337.828 3.773 20 0 EHADMM O=C([O-])c1ccc(F)c2c1CN(CCc1ccccc1Cl)CC2 ZINC000530170312 1035019516 /nfs/dbraw/zinc/01/95/16/1035019516.db2.gz XYPPVJGGBVRYSD-UHFFFAOYSA-N -1 1 333.790 3.778 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cc(F)cc(Br)c1 ZINC000530174255 1035047988 /nfs/dbraw/zinc/04/79/88/1035047988.db2.gz JKKYCQUGVPNLJL-PEGIJTEDSA-N -1 1 344.224 3.662 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530179584 1035050468 /nfs/dbraw/zinc/05/04/68/1035050468.db2.gz MRNJMZQKDUARRW-PTEHBNRSSA-N -1 1 334.441 3.785 20 0 EHADMM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000299833995 1035087933 /nfs/dbraw/zinc/08/79/33/1035087933.db2.gz QHRMECLKDVHBNG-UHFFFAOYSA-N -1 1 346.452 3.679 20 0 EHADMM CCc1c(NC(=O)c2cc(SC)ccc2[O-])cnn1CC(C)C ZINC000613018449 1035360360 /nfs/dbraw/zinc/36/03/60/1035360360.db2.gz LLCVSEKHFSEMGX-UHFFFAOYSA-N -1 1 333.457 3.781 20 0 EHADMM Cc1nnc([C@H](C)OC(=O)c2cccc3nc(C(F)F)[nH]c32)s1 ZINC000924080232 1035439014 /nfs/dbraw/zinc/43/90/14/1035439014.db2.gz MTLKDTYWAJECKN-LURJTMIESA-N -1 1 338.339 3.578 20 0 EHADMM CO[C@H](C(=O)Nc1cc(C)cc(Br)c1[O-])C1CCCC1 ZINC000613306259 1035527033 /nfs/dbraw/zinc/52/70/33/1035527033.db2.gz YKAYSUOQHHBDCX-AWEZNQCLSA-N -1 1 342.233 3.607 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@]2(C1)OCc1ccccc12 ZINC000187007079 1035740443 /nfs/dbraw/zinc/74/04/43/1035740443.db2.gz TUFPJNWBFPCZCD-JOCHJYFZSA-N -1 1 345.398 3.817 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc(Cl)c1[O-] ZINC000186984006 1035756125 /nfs/dbraw/zinc/75/61/25/1035756125.db2.gz ZBEILWGUPOJPGN-UHFFFAOYSA-N -1 1 345.786 3.881 20 0 EHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000024243846 1035766828 /nfs/dbraw/zinc/76/68/28/1035766828.db2.gz GGFVZLIAZRDCAG-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)[C@H]1C ZINC000300409766 1035773223 /nfs/dbraw/zinc/77/32/23/1035773223.db2.gz SRGDXTUBADWMSD-NRUUGDAUSA-N -1 1 326.234 3.709 20 0 EHADMM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccccc1[O-] ZINC000173968871 1035818955 /nfs/dbraw/zinc/81/89/55/1035818955.db2.gz QIEIQNMOQDFQEQ-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000397505794 1035840090 /nfs/dbraw/zinc/84/00/90/1035840090.db2.gz URXOWNNFAOBGCM-DGCLKSJQSA-N -1 1 334.803 3.680 20 0 EHADMM COC(=O)c1c[n-]c(SCc2ccc(Cl)c3cccnc23)n1 ZINC000187583223 1035842740 /nfs/dbraw/zinc/84/27/40/1035842740.db2.gz DXDVFGCZABGCAF-UHFFFAOYSA-N -1 1 333.800 3.690 20 0 EHADMM CC[C@H](C(=O)Nc1ccc(F)c(F)c1[O-])N(C)Cc1ccccc1 ZINC000457316724 1035945828 /nfs/dbraw/zinc/94/58/28/1035945828.db2.gz QGQFESZEICAPKL-OAHLLOKOSA-N -1 1 334.366 3.520 20 0 EHADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2ccsc2)CC1 ZINC000068435725 1036016043 /nfs/dbraw/zinc/01/60/43/1036016043.db2.gz GKKNCWLUSICMFQ-UHFFFAOYSA-N -1 1 336.486 3.603 20 0 EHADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cc(Cl)c(Cl)cn1 ZINC000178188558 1036123247 /nfs/dbraw/zinc/12/32/47/1036123247.db2.gz PVRNGSCFVYSKKS-AATRIKPKSA-N -1 1 347.198 3.940 20 0 EHADMM CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263122939 1036208994 /nfs/dbraw/zinc/20/89/94/1036208994.db2.gz MFPWKJPEPXRSRE-HOTGVXAUSA-N -1 1 346.471 3.715 20 0 EHADMM C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000063927044 1036249888 /nfs/dbraw/zinc/24/98/88/1036249888.db2.gz XBPTVHNXPYDHIM-SNVBAGLBSA-N -1 1 346.326 3.826 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N(CCc1ccccc1)[C@H]1CCOC1 ZINC000175287648 1036300978 /nfs/dbraw/zinc/30/09/78/1036300978.db2.gz IMYDHIZNZHZXAL-INIZCTEOSA-N -1 1 345.826 3.519 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)C1=CCCC1 ZINC000572600527 1036395395 /nfs/dbraw/zinc/39/53/95/1036395395.db2.gz GDLJBJKTBBKFHV-UHFFFAOYSA-N -1 1 331.460 3.654 20 0 EHADMM O=S(=O)([N-][C@H]1CSc2ccccc21)c1c(F)cccc1Cl ZINC000464430427 1036431661 /nfs/dbraw/zinc/43/16/61/1036431661.db2.gz ZEQYWJZPXJQZOY-LBPRGKRZSA-N -1 1 343.832 3.604 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000032098349 1036605587 /nfs/dbraw/zinc/60/55/87/1036605587.db2.gz KCGNHQRTQCRQOB-UHFFFAOYSA-N -1 1 343.404 3.546 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)sc1C ZINC000541825113 1036678592 /nfs/dbraw/zinc/67/85/92/1036678592.db2.gz BVWKPXIJGQTQPH-SNVBAGLBSA-N -1 1 329.409 3.620 20 0 EHADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000589980585 1036698846 /nfs/dbraw/zinc/69/88/46/1036698846.db2.gz DXMJJZYKPIDBSP-UHFFFAOYSA-N -1 1 343.452 3.970 20 0 EHADMM CC(C)C[C@H](NCc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC000590186534 1036789983 /nfs/dbraw/zinc/78/99/83/1036789983.db2.gz CEONGGKLZZMUEJ-ZDUSSCGKSA-N -1 1 327.852 3.892 20 0 EHADMM C/C=C/C=C\C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000493223132 1036931929 /nfs/dbraw/zinc/93/19/29/1036931929.db2.gz BYCDWRYSBCYOLR-IAROGAJJSA-N -1 1 340.354 3.854 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(SC)c2)c1 ZINC000414388530 1037243445 /nfs/dbraw/zinc/24/34/45/1037243445.db2.gz MEQQIDLRWYRCTQ-UHFFFAOYSA-N -1 1 337.466 3.780 20 0 EHADMM COC(=O)c1cc([O-])c(Br)c(O[C@H]2CCCC[C@@H]2F)c1 ZINC001233907736 1037282414 /nfs/dbraw/zinc/28/24/14/1037282414.db2.gz KMRJLAQODOLZHI-ONGXEEELSA-N -1 1 347.180 3.601 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000007052368 1037386764 /nfs/dbraw/zinc/38/67/64/1037386764.db2.gz PRPNZHGYDACHGI-UHFFFAOYSA-N -1 1 344.219 3.997 20 0 EHADMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000101850564 1037576300 /nfs/dbraw/zinc/57/63/00/1037576300.db2.gz IUVDRMHLPCGHLG-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(Cl)c1 ZINC000591794785 1037606670 /nfs/dbraw/zinc/60/66/70/1037606670.db2.gz AMSPBXJYGSVFNQ-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CC(C)c1cnc(NC(=O)c2cc(Br)ccc2[O-])s1 ZINC000303982306 1037932703 /nfs/dbraw/zinc/93/27/03/1037932703.db2.gz YDNIPIZYCSZQBQ-UHFFFAOYSA-N -1 1 341.230 3.987 20 0 EHADMM O=C(NCCCc1cccc(Cl)c1)c1c(F)ccc([O-])c1F ZINC000573960982 1037978084 /nfs/dbraw/zinc/97/80/84/1037978084.db2.gz JIGKQFRPXLPNNU-UHFFFAOYSA-N -1 1 325.742 3.686 20 0 EHADMM C[C@@H](CSCCNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000592461476 1037996179 /nfs/dbraw/zinc/99/61/79/1037996179.db2.gz HPAPDWGELDTQJS-ZETCQYMHSA-N -1 1 328.286 3.598 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccnc2ccccc21 ZINC000339120719 1038357427 /nfs/dbraw/zinc/35/74/27/1038357427.db2.gz RKSLUUUHYDOXQL-UHFFFAOYSA-N -1 1 330.347 3.583 20 0 EHADMM O=C(NC1(c2ccccc2)CCOCC1)c1ccc2ccccc2c1[O-] ZINC000538744102 1038510800 /nfs/dbraw/zinc/51/08/00/1038510800.db2.gz LUZYUAJCJQDSOD-UHFFFAOYSA-N -1 1 347.414 3.981 20 0 EHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(Br)n1 ZINC000182864071 1038645573 /nfs/dbraw/zinc/64/55/73/1038645573.db2.gz QFKHVLVHEIWHEQ-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM Cn1ccnc1[C@H](NCc1cccc([O-])c1Cl)c1ccc(F)cc1 ZINC000339184580 1038777906 /nfs/dbraw/zinc/77/79/06/1038777906.db2.gz WIJZSGYFZUABJU-QGZVFWFLSA-N -1 1 345.805 3.797 20 0 EHADMM CCc1csc([C@H](C)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC000910733632 1039042473 /nfs/dbraw/zinc/04/24/73/1039042473.db2.gz JWDSSNGYTBQSNS-QMMMGPOBSA-N -1 1 344.358 3.921 20 0 EHADMM Cc1cccc2[nH]c(CN3CCC(C(=O)[O-])(C(F)(F)F)CC3)cc21 ZINC000905738237 1039071113 /nfs/dbraw/zinc/07/11/13/1039071113.db2.gz CLTLNDKWAWPSHM-UHFFFAOYSA-N -1 1 340.345 3.705 20 0 EHADMM C[C@H]1C[C@@H]1c1ccc(CN2CCC(C(=O)[O-])(C(F)(F)F)CC2)o1 ZINC000905740643 1039077752 /nfs/dbraw/zinc/07/77/52/1039077752.db2.gz VIHRDFUWNCPLRL-JQWIXIFHSA-N -1 1 331.334 3.632 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000488315017 1039081080 /nfs/dbraw/zinc/08/10/80/1039081080.db2.gz ZJDLJSSZIFSOMD-UHFFFAOYSA-N -1 1 339.420 3.507 20 0 EHADMM O=C(C[C@H]1CCc2sccc2C1=O)Nc1cc(F)cc(F)c1[O-] ZINC000910994931 1039184723 /nfs/dbraw/zinc/18/47/23/1039184723.db2.gz WUTIPTLTPRIURU-MRVPVSSYSA-N -1 1 337.347 3.506 20 0 EHADMM [O-]c1cccc(CN2CCO[C@H](CCc3ccccc3)C2)c1Cl ZINC000512474309 1039355577 /nfs/dbraw/zinc/35/55/77/1039355577.db2.gz JBVHKEOCGJEEEX-QGZVFWFLSA-N -1 1 331.843 3.879 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2c(F)cccc2Br)C1 ZINC000394777729 1039412737 /nfs/dbraw/zinc/41/27/37/1039412737.db2.gz JYDJQQZJSGLEQT-LLVKDONJSA-N -1 1 344.224 3.665 20 0 EHADMM O=C([O-])C[C@@H](NCc1cnc(C(F)(F)F)s1)c1ccsc1 ZINC000417529225 1039968458 /nfs/dbraw/zinc/96/84/58/1039968458.db2.gz GBZJLKMHCLYZAU-SECBINFHSA-N -1 1 336.360 3.529 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccccc2)c1 ZINC000533947322 1040000524 /nfs/dbraw/zinc/00/05/24/1040000524.db2.gz TWSQATPVKLXYIR-UHFFFAOYSA-N -1 1 341.436 3.748 20 0 EHADMM O=C([O-])C[C@@H](CNCc1csc(Cl)c1Cl)C(F)(F)F ZINC000417618190 1040069792 /nfs/dbraw/zinc/06/97/92/1040069792.db2.gz CWJQHVHYZOTQON-LURJTMIESA-N -1 1 336.162 3.798 20 0 EHADMM COc1cccc(Cl)c1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417632435 1040093708 /nfs/dbraw/zinc/09/37/08/1040093708.db2.gz SSXAMHNQBLEMKE-XJKSGUPXSA-N -1 1 331.799 3.751 20 0 EHADMM COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C)c([O-])c1 ZINC000390267450 1040201775 /nfs/dbraw/zinc/20/17/75/1040201775.db2.gz QHBNPRLVRZGUJP-UHFFFAOYSA-N -1 1 325.286 3.980 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c3ncccc23)c1 ZINC000486595728 1040269807 /nfs/dbraw/zinc/26/98/07/1040269807.db2.gz AHVZTDQLFPRGAV-UHFFFAOYSA-N -1 1 342.420 3.607 20 0 EHADMM COc1ccc(Nc2ccc(F)c(Br)c2[O-])c(CO)c1 ZINC001211749186 1040397604 /nfs/dbraw/zinc/39/76/04/1040397604.db2.gz BWRGWSWRIWDJSI-UHFFFAOYSA-N -1 1 342.164 3.538 20 0 EHADMM COC(=O)[C@@H](NCc1cccc([O-])c1Cl)c1cc(C)cc(C)c1 ZINC000512701242 1040567660 /nfs/dbraw/zinc/56/76/60/1040567660.db2.gz KYJBUOQXIQGQNM-KRWDZBQOSA-N -1 1 333.815 3.666 20 0 EHADMM CC1(C)CC[C@H](CC(=O)Nc2cccc([O-])c2Br)OC1 ZINC000908716849 1040609191 /nfs/dbraw/zinc/60/91/91/1040609191.db2.gz BJLORSOWDWPHJK-SNVBAGLBSA-N -1 1 342.233 3.689 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1c[nH]cc1-c1ccc(F)cc1 ZINC000191976597 1040720329 /nfs/dbraw/zinc/72/03/29/1040720329.db2.gz AQORQZQTMCLKAS-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM Cc1sc(CC(=O)Nc2cc([O-])c(F)cc2F)nc1C(C)C ZINC000909986500 1041098516 /nfs/dbraw/zinc/09/85/16/1041098516.db2.gz NBCWUZFQNZHMFJ-UHFFFAOYSA-N -1 1 326.368 3.740 20 0 EHADMM CCOc1ccc(C[C@@H](C)C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC000909988011 1041120612 /nfs/dbraw/zinc/12/06/12/1041120612.db2.gz QXULBJZKRFJVQC-LLVKDONJSA-N -1 1 335.350 3.886 20 0 EHADMM COCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000194245455 1041243464 /nfs/dbraw/zinc/24/34/64/1041243464.db2.gz KPKYCSKEOYOHAZ-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM O=C(c1cccc([O-])c1F)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001167793406 1042609852 /nfs/dbraw/zinc/60/98/52/1042609852.db2.gz RDUBYNYUMVYCJW-LBPRGKRZSA-N -1 1 335.325 3.829 20 0 EHADMM CCC(CC)(CC)NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000150817823 1042667472 /nfs/dbraw/zinc/66/74/72/1042667472.db2.gz AOKZHHVIANTDSU-UHFFFAOYSA-N -1 1 338.502 3.754 20 0 EHADMM Cc1ccc(-c2nnc(SCC(=O)c3ccc([O-])cc3)o2)cc1 ZINC000007455563 1042897871 /nfs/dbraw/zinc/89/78/71/1042897871.db2.gz AKJIEZZLVPXHNX-UHFFFAOYSA-N -1 1 326.377 3.726 20 0 EHADMM CC(=O)N[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccc(C)cc1 ZINC000111668631 1042994793 /nfs/dbraw/zinc/99/47/93/1042994793.db2.gz BDJAAQMOLWYSQI-MRXNPFEDSA-N -1 1 346.814 3.560 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccnc2-c2cnn(C)c2)c([O-])c1 ZINC000647747831 1043005112 /nfs/dbraw/zinc/00/51/12/1043005112.db2.gz DXCFAVZKQINADX-UHFFFAOYSA-N -1 1 336.395 3.563 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)n[nH]1 ZINC000317673326 1043017093 /nfs/dbraw/zinc/01/70/93/1043017093.db2.gz WIOZRBYHWBHWKR-CMDGGOBGSA-N -1 1 339.848 3.773 20 0 EHADMM Cc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000007185098 1043030377 /nfs/dbraw/zinc/03/03/77/1043030377.db2.gz LKDQXVOXORSRRS-UHFFFAOYSA-N -1 1 346.430 3.816 20 0 EHADMM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000187043015 1043776974 /nfs/dbraw/zinc/77/69/74/1043776974.db2.gz JTKLPNZVFGIBNK-DIFFPNOSSA-N -1 1 349.789 3.787 20 0 EHADMM Cc1c(Cl)ccc(S(=O)(=O)[N-]CCC(F)(F)F)c1Cl ZINC001191728879 1134906151 /nfs/dbraw/zinc/90/61/51/1134906151.db2.gz LYLVLWDYFCXMKL-UHFFFAOYSA-N -1 1 336.162 3.533 20 0 EHADMM CN(CCc1cccs1)C(=O)c1ccc(Br)c([O-])c1 ZINC000122583556 1044222132 /nfs/dbraw/zinc/22/21/32/1044222132.db2.gz GLIRRBDLSHTRJH-UHFFFAOYSA-N -1 1 340.242 3.531 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(Br)c(C)c1C ZINC001195484318 1135431864 /nfs/dbraw/zinc/43/18/64/1135431864.db2.gz LGXUBSYGMINLQE-UHFFFAOYSA-N -1 1 331.235 3.509 20 0 EHADMM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000171865153 1125509313 /nfs/dbraw/zinc/50/93/13/1125509313.db2.gz LVYRGLLNVDRJSL-UHFFFAOYSA-N -1 1 335.407 3.597 20 0 EHADMM COc1cc(C(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)on1 ZINC000154481622 1125721927 /nfs/dbraw/zinc/72/19/27/1125721927.db2.gz JXQGVCFRBWQSDL-UHFFFAOYSA-N -1 1 335.772 3.712 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1 ZINC000350568251 1127087032 /nfs/dbraw/zinc/08/70/32/1127087032.db2.gz JXNMHAQUSAFWKF-UHFFFAOYSA-N -1 1 334.335 3.549 20 0 EHADMM CCOc1cc(-c2nc(Cc3ccc(C)nc3)no2)cc(Cl)c1[O-] ZINC000350609642 1127092499 /nfs/dbraw/zinc/09/24/99/1127092499.db2.gz VWIIGUSAKZZTON-UHFFFAOYSA-N -1 1 345.786 3.789 20 0 EHADMM O=c1ccn(-c2ccc(NCc3cnc(C4CCC4)s3)cc2)[n-]1 ZINC000623776912 1127160938 /nfs/dbraw/zinc/16/09/38/1127160938.db2.gz GRPNZHUWFWSBBF-UHFFFAOYSA-N -1 1 326.425 3.914 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(Cl)c2F)c1 ZINC000764129602 1127449290 /nfs/dbraw/zinc/44/92/90/1127449290.db2.gz VRNMHJXFGPMSGF-UHFFFAOYSA-N -1 1 336.746 3.787 20 0 EHADMM CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])[C@@H]2CCC[C@@H]21 ZINC000381111785 1127475790 /nfs/dbraw/zinc/47/57/90/1127475790.db2.gz JCUMFJXFQPOLER-QWHCGFSZSA-N -1 1 338.245 3.805 20 0 EHADMM O=C([O-])C[C@@H](NCc1cscc1Br)c1ccsc1 ZINC000417533433 1127499658 /nfs/dbraw/zinc/49/96/58/1127499658.db2.gz MPOJHIMZNVYZSI-LLVKDONJSA-N -1 1 346.271 3.878 20 0 EHADMM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1cccc(F)c1 ZINC000010516285 1127632059 /nfs/dbraw/zinc/63/20/59/1127632059.db2.gz XLHQNXCVWVSCQU-UHFFFAOYSA-N -1 1 349.305 3.568 20 0 EHADMM O=C(NCc1coc(-c2cccs2)n1)c1cc(Cl)ccc1[O-] ZINC000029771149 1127808374 /nfs/dbraw/zinc/80/83/74/1127808374.db2.gz FULJEUSZDWDXNM-UHFFFAOYSA-N -1 1 334.784 3.692 20 0 EHADMM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cnncc3[O-])c2)C1 ZINC001626055248 1127908033 /nfs/dbraw/zinc/90/80/33/1127908033.db2.gz BNQBMESHZIUXJV-CZUORRHYSA-N -1 1 341.411 3.530 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000126586958 1127962896 /nfs/dbraw/zinc/96/28/96/1127962896.db2.gz UCOJCHWGGIMZNI-UHFFFAOYSA-N -1 1 333.310 3.689 20 0 EHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cccnc1N1CCOCC1 ZINC001212364916 1128030962 /nfs/dbraw/zinc/03/09/62/1128030962.db2.gz ZQYBAMIWYVWYHW-UHFFFAOYSA-N -1 1 340.210 3.674 20 0 EHADMM CCSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000071091917 1128297933 /nfs/dbraw/zinc/29/79/33/1128297933.db2.gz IKUZFQMJFPGYDU-UHFFFAOYSA-N -1 1 335.450 3.630 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000055595350 1128524525 /nfs/dbraw/zinc/52/45/25/1128524525.db2.gz VYWPBQJFHZKSQP-UHFFFAOYSA-N -1 1 333.453 3.931 20 0 EHADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000055638690 1128526067 /nfs/dbraw/zinc/52/60/67/1128526067.db2.gz QCUOVLCGRUJPLT-UHFFFAOYSA-N -1 1 346.452 3.788 20 0 EHADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCS1 ZINC000921714532 1128661136 /nfs/dbraw/zinc/66/11/36/1128661136.db2.gz BGBGMXBKOPXEHD-NKWVEPMBSA-N -1 1 346.326 3.617 20 0 EHADMM Cn1ccc2ccc(NC(=O)NCCc3c(F)cc([O-])cc3F)cc21 ZINC001670833970 1120326019 /nfs/dbraw/zinc/32/60/19/1120326019.db2.gz FRFVYEMANKHIQT-UHFFFAOYSA-N -1 1 345.349 3.526 20 0 EHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000187051987 1120484938 /nfs/dbraw/zinc/48/49/38/1120484938.db2.gz JCGBMCAETPXTMQ-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000187597007 1120505038 /nfs/dbraw/zinc/50/50/38/1120505038.db2.gz YADRWEAXIPOKFP-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000494367838 1120540905 /nfs/dbraw/zinc/54/09/05/1120540905.db2.gz KZVZAICTFQPUGX-ZETCQYMHSA-N -1 1 349.296 3.503 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccc(OCC(F)F)n1 ZINC000192267471 1120728608 /nfs/dbraw/zinc/72/86/08/1120728608.db2.gz PQZLRNXHCMEGLL-UHFFFAOYSA-N -1 1 343.717 3.729 20 0 EHADMM CCOc1cc(C(=O)N(C)Cc2cccc(F)c2)cc(Cl)c1[O-] ZINC000192995762 1120755327 /nfs/dbraw/zinc/75/53/27/1120755327.db2.gz JPLKEMBXYXCGSY-UHFFFAOYSA-N -1 1 337.778 3.856 20 0 EHADMM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncccc1[O-] ZINC000494837170 1120880323 /nfs/dbraw/zinc/88/03/23/1120880323.db2.gz PQOYMFJQZLSAMT-UHFFFAOYSA-N -1 1 338.329 3.857 20 0 EHADMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(C3OCCO3)c2)n1 ZINC000153404425 1121042074 /nfs/dbraw/zinc/04/20/74/1121042074.db2.gz XFDYPKZYPLHIKD-CQSZACIVSA-N -1 1 342.420 3.802 20 0 EHADMM O=C([O-])c1cnc(N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000303091017 1121365454 /nfs/dbraw/zinc/36/54/54/1121365454.db2.gz YLMWSYZTKXFJID-HNNXBMFYSA-N -1 1 345.830 3.510 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(C(C)(C)C)C2)c([O-])c1 ZINC000495977280 1121593627 /nfs/dbraw/zinc/59/36/27/1121593627.db2.gz CFBGHLHNWQJHQX-UHFFFAOYSA-N -1 1 348.443 3.857 20 0 EHADMM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000118302411 1121717763 /nfs/dbraw/zinc/71/77/63/1121717763.db2.gz WHRLCYHJWNMLJA-UHFFFAOYSA-N -1 1 346.452 3.594 20 0 EHADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1cccc(F)c1 ZINC000032600026 1121965965 /nfs/dbraw/zinc/96/59/65/1121965965.db2.gz IRVCCZVPPPNZKS-UHFFFAOYSA-N -1 1 349.305 3.568 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2CC)c1 ZINC000126122905 1122386727 /nfs/dbraw/zinc/38/67/27/1122386727.db2.gz DTLXWQSABPMUBF-UHFFFAOYSA-N -1 1 331.437 3.951 20 0 EHADMM O=c1cc(/C=C\c2c(Cl)ccc(Cl)c2Cl)nc2nc[n-]n21 ZINC000672775404 1129070150 /nfs/dbraw/zinc/07/01/50/1129070150.db2.gz MAGOLWUCIRKMJG-UPHRSURJSA-N -1 1 341.585 3.548 20 0 EHADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1(C)C ZINC000670417681 1122706737 /nfs/dbraw/zinc/70/67/37/1122706737.db2.gz FLUQOYOFCPBCCB-ZIAGYGMSSA-N -1 1 345.361 3.687 20 0 EHADMM CC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000130138072 1122894756 /nfs/dbraw/zinc/89/47/56/1122894756.db2.gz URVBRZNARMYUIL-ZDUSSCGKSA-N -1 1 346.452 3.780 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1ccccc1 ZINC000919561067 1123086917 /nfs/dbraw/zinc/08/69/17/1123086917.db2.gz SSOQQOGUKJWIGK-AWEZNQCLSA-N -1 1 347.436 3.756 20 0 EHADMM COc1cc(C)c(CN(C)C(=O)c2c([O-])cccc2Cl)cc1OC ZINC000920430793 1123372431 /nfs/dbraw/zinc/37/24/31/1123372431.db2.gz BVNKXVMYHFZGDS-UHFFFAOYSA-N -1 1 349.814 3.643 20 0 EHADMM COc1cc(C(=O)Nc2cccc(NC(C)=O)c2C)cc(Cl)c1[O-] ZINC000134923027 1123565034 /nfs/dbraw/zinc/56/50/34/1123565034.db2.gz CUNGKUNDNMQHDO-UHFFFAOYSA-N -1 1 348.786 3.573 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(C)CCC2)c1 ZINC000175075414 1123589210 /nfs/dbraw/zinc/58/92/10/1123589210.db2.gz GWBKPSVKXJGUJU-UHFFFAOYSA-N -1 1 344.484 3.613 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3C)ccc2o1 ZINC000078979597 1123659029 /nfs/dbraw/zinc/65/90/29/1123659029.db2.gz JSRQSKYQKUXOTA-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM CC(C)c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)on1 ZINC000114499278 1129152148 /nfs/dbraw/zinc/15/21/48/1129152148.db2.gz CKFMCMDGYHMZAA-UHFFFAOYSA-N -1 1 349.239 3.583 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000616371269 1123990031 /nfs/dbraw/zinc/99/00/31/1123990031.db2.gz ATMVZAOPCLPVSA-LLVKDONJSA-N -1 1 338.329 3.745 20 0 EHADMM Cc1ccc(OCCCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000617365285 1124499845 /nfs/dbraw/zinc/49/98/45/1124499845.db2.gz DPNQLRVMPUUORZ-UHFFFAOYSA-N -1 1 341.436 3.666 20 0 EHADMM C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1cncc([O-])c1 ZINC000617516613 1124622022 /nfs/dbraw/zinc/62/20/22/1124622022.db2.gz ZLDJQZGURSQGRZ-SFHVURJKSA-N -1 1 330.815 3.678 20 0 EHADMM COC(=O)NCc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000735327249 1131332334 /nfs/dbraw/zinc/33/23/34/1131332334.db2.gz WCVNDZHDEWTRCX-UHFFFAOYSA-N -1 1 342.395 3.624 20 0 EHADMM C/C=C(/C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000080599131 1129368097 /nfs/dbraw/zinc/36/80/97/1129368097.db2.gz WGKUEORKOBLCKV-PQMHYQBVSA-N -1 1 344.436 3.701 20 0 EHADMM CCSCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000499760717 1129461985 /nfs/dbraw/zinc/46/19/85/1129461985.db2.gz JLKDSSMVCKVWCA-UHFFFAOYSA-N -1 1 346.276 3.554 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-c2cncnc2)cc1F ZINC000186565405 1129634359 /nfs/dbraw/zinc/63/43/59/1129634359.db2.gz RKBZOMWKHWUPTN-UHFFFAOYSA-N -1 1 343.745 3.894 20 0 EHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000171013873 1129997567 /nfs/dbraw/zinc/99/75/67/1129997567.db2.gz OPALYFWWSRQBBI-LLVKDONJSA-N -1 1 325.817 3.848 20 0 EHADMM O=C([N-][C@H]1CCc2cc(F)c(F)c(F)c21)C(F)(F)c1ccccc1 ZINC001128948887 1130263803 /nfs/dbraw/zinc/26/38/03/1130263803.db2.gz GQSMVAFZKKAAGV-LBPRGKRZSA-N -1 1 341.279 3.999 20 0 EHADMM CCC[C@H](NC(=O)c1sc2cc(C)ccc2c1Cl)c1nn[n-]n1 ZINC000675144808 1130266393 /nfs/dbraw/zinc/26/63/93/1130266393.db2.gz VVLLRKQLUDLVBT-JTQLQIEISA-N -1 1 349.847 3.647 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1CC ZINC000486091770 1130440735 /nfs/dbraw/zinc/44/07/35/1130440735.db2.gz QDAJUOVSOXAABM-UHFFFAOYSA-N -1 1 346.452 3.571 20 0 EHADMM CCCCCNC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360685 1130703169 /nfs/dbraw/zinc/70/31/69/1130703169.db2.gz MQAXDSVODPBGNE-VIFPVBQESA-N -1 1 348.226 3.551 20 0 EHADMM COc1ccc(Cl)cc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212689901 1131901054 /nfs/dbraw/zinc/90/10/54/1131901054.db2.gz RZOPTTSGYJVWSA-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM COc1ccc(Cl)cc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212689901 1131901059 /nfs/dbraw/zinc/90/10/59/1131901059.db2.gz RZOPTTSGYJVWSA-UHFFFAOYSA-N -1 1 344.680 3.808 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(F)F)cc2)c1 ZINC000744928868 1132166400 /nfs/dbraw/zinc/16/64/00/1132166400.db2.gz YPSJBAJORJGHKV-UHFFFAOYSA-N -1 1 334.318 3.932 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C(F)F)c2)c1 ZINC000744961895 1132172298 /nfs/dbraw/zinc/17/22/98/1132172298.db2.gz SERSSANGGOFINY-UHFFFAOYSA-N -1 1 334.318 3.932 20 0 EHADMM COc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccc(N)c(C)c1 ZINC001173915744 1132172864 /nfs/dbraw/zinc/17/28/64/1132172864.db2.gz XAHUHBJMWQABSL-UHFFFAOYSA-N -1 1 334.441 3.510 20 0 EHADMM [O-]c1c(Nc2ccc3c(c2)OCCO3)ccc(F)c1Br ZINC001173880115 1132178578 /nfs/dbraw/zinc/17/85/78/1132178578.db2.gz JIFWVQFAFCEYEO-UHFFFAOYSA-N -1 1 340.148 3.809 20 0 EHADMM CCCCNC(=O)c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001174188974 1132274227 /nfs/dbraw/zinc/27/42/27/1132274227.db2.gz IPFGIUORYDVCJZ-UHFFFAOYSA-N -1 1 326.356 3.603 20 0 EHADMM O=S(=O)([O-])c1ccc(Nc2ccc3c[nH]nc3c2)c2ccccc21 ZINC001174501811 1132390831 /nfs/dbraw/zinc/39/08/31/1132390831.db2.gz HTTKRBWGAUOOKK-UHFFFAOYSA-N -1 1 339.376 3.706 20 0 EHADMM O=C(Nc1nc2c(cc(Cl)cc2Cl)[nH]1)c1cc(F)ccc1[O-] ZINC001169189967 1132688139 /nfs/dbraw/zinc/68/81/39/1132688139.db2.gz OWDPWVDDFSEVGA-UHFFFAOYSA-N -1 1 340.141 3.967 20 0 EHADMM COc1cccc([C@@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2(C)C)c1 ZINC001176415483 1132933776 /nfs/dbraw/zinc/93/37/76/1132933776.db2.gz HUXTZGGJLNTPDQ-KRWDZBQOSA-N -1 1 343.398 3.948 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2cc(Br)cnc2F)c1F ZINC001176663455 1132978456 /nfs/dbraw/zinc/97/84/56/1132978456.db2.gz FIHVBSSCDNQBLF-UHFFFAOYSA-N -1 1 337.070 3.850 20 0 EHADMM COC(=O)c1cc(Nc2c(F)cc(F)c([O-])c2F)c(F)cc1F ZINC001176672844 1132979914 /nfs/dbraw/zinc/97/99/14/1132979914.db2.gz LEKFPEACPLRQFP-UHFFFAOYSA-N -1 1 333.212 3.618 20 0 EHADMM COc1cc(C(=O)Nc2cccc(C(C)(C)O)c2)cc(Cl)c1[O-] ZINC000768269634 1133119202 /nfs/dbraw/zinc/11/92/02/1133119202.db2.gz ZIIAREYMYOFOMS-UHFFFAOYSA-N -1 1 335.787 3.534 20 0 EHADMM C/C(=C\C(=O)NCCc1c(F)cc([O-])cc1F)c1ccccc1C ZINC001178784674 1133197922 /nfs/dbraw/zinc/19/79/22/1133197922.db2.gz BDKYSMNHVNGTCE-UKTHLTGXSA-N -1 1 331.362 3.741 20 0 EHADMM CC(C)Cc1cc([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[nH]1 ZINC000768861852 1133199397 /nfs/dbraw/zinc/19/93/97/1133199397.db2.gz MOIQSGJWHSOURU-SREVYHEPSA-N -1 1 339.848 3.674 20 0 EHADMM C[C@H](CC(N)=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC001179347054 1133242998 /nfs/dbraw/zinc/24/29/98/1133242998.db2.gz LWVIWMIQTJVFMU-CYBMUJFWSA-N -1 1 348.402 3.777 20 0 EHADMM CC(C)(C)[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000773831789 1133287754 /nfs/dbraw/zinc/28/77/54/1133287754.db2.gz XDQPXFBQSZHSRK-OAHLLOKOSA-N -1 1 340.452 3.535 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 ZINC000769634838 1133319247 /nfs/dbraw/zinc/31/92/47/1133319247.db2.gz VDGHNOXTQBMMOW-LSDHHAIUSA-N -1 1 333.476 3.949 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(CC2)Oc2ccccc21 ZINC001180161425 1133340279 /nfs/dbraw/zinc/34/02/79/1133340279.db2.gz YAVRHDJMFMNKFN-UHFFFAOYSA-N -1 1 349.308 3.983 20 0 EHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@H](c2ccccc2)CO1 ZINC000769924694 1133368412 /nfs/dbraw/zinc/36/84/12/1133368412.db2.gz AXZILHXGYXMLFP-DOMZBBRYSA-N -1 1 331.799 3.648 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000770039241 1133380774 /nfs/dbraw/zinc/38/07/74/1133380774.db2.gz RMDUPLAMEDTGLP-SGTLLEGYSA-N -1 1 339.366 3.536 20 0 EHADMM O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1cncc([O-])c1 ZINC000786301795 1133829273 /nfs/dbraw/zinc/82/92/73/1133829273.db2.gz MRPSMRJOEJNWAL-HXUWFJFHSA-N -1 1 348.402 3.706 20 0 EHADMM Cc1ccccc1OCCCSCCC[N-]C(=O)C(F)(F)F ZINC000774683075 1133859858 /nfs/dbraw/zinc/85/98/58/1133859858.db2.gz FVPARTKDMDAKEF-UHFFFAOYSA-N -1 1 335.391 3.566 20 0 EHADMM C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1[O-])c1ccc(O)cc1 ZINC001184282885 1133923008 /nfs/dbraw/zinc/92/30/08/1133923008.db2.gz NDCQBBDUCDELER-SECBINFHSA-N -1 1 325.286 3.859 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)ccc1F ZINC001185524143 1134103122 /nfs/dbraw/zinc/10/31/22/1134103122.db2.gz BOELGFJWEALOOI-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1c(F)cccc1OC(C)C ZINC001185836425 1134139431 /nfs/dbraw/zinc/13/94/31/1134139431.db2.gz IMLBUOGWOSWWTD-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM CCCC1CCC([N-]S(=O)(=O)c2c(F)cc(C)cc2F)CC1 ZINC001185877036 1134148270 /nfs/dbraw/zinc/14/82/70/1134148270.db2.gz HZUGTBRSIORDLX-UHFFFAOYSA-N -1 1 331.428 3.910 20 0 EHADMM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185944369 1134150205 /nfs/dbraw/zinc/15/02/05/1134150205.db2.gz WIWKTXIIJQGAHX-GFCCVEGCSA-N -1 1 329.425 3.877 20 0 EHADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)c1c[nH]c2ccccc21 ZINC001186234248 1134184411 /nfs/dbraw/zinc/18/44/11/1134184411.db2.gz UMZYLXAEFOPXOV-UHFFFAOYSA-N -1 1 326.371 3.720 20 0 EHADMM O=C(Nc1cncc(Br)c1Cl)c1ccc([O-])c(F)c1 ZINC001186208309 1134187656 /nfs/dbraw/zinc/18/76/56/1134187656.db2.gz APYAONSVBACFAN-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM O=C(NCCc1ccc(F)cc1)Nc1cc([O-])c(Cl)cc1F ZINC001186275851 1134191785 /nfs/dbraw/zinc/19/17/85/1134191785.db2.gz SMAJPPYUVIHHRQ-UHFFFAOYSA-N -1 1 326.730 3.688 20 0 EHADMM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C1CCCCC1 ZINC001186286864 1134193545 /nfs/dbraw/zinc/19/35/45/1134193545.db2.gz SRMINGXVZQWLCK-LBPRGKRZSA-N -1 1 335.391 3.741 20 0 EHADMM O=C([N-]c1noc2cccnc12)c1ccc(C(F)(F)F)c(F)c1F ZINC001186446549 1134213394 /nfs/dbraw/zinc/21/33/94/1134213394.db2.gz HKAKCPAKTQQBAC-UHFFFAOYSA-N -1 1 343.211 3.772 20 0 EHADMM O=C(Nc1cccc(Br)c1)Nc1cccc(F)c1[O-] ZINC001187463834 1134337490 /nfs/dbraw/zinc/33/74/90/1134337490.db2.gz FJPVHLBUXABXAY-UHFFFAOYSA-N -1 1 325.137 3.938 20 0 EHADMM CC(C)[C@H]1C[C@@](NCc2cccnc2Cl)(C(=O)[O-])c2ccccc21 ZINC000789902312 1134347871 /nfs/dbraw/zinc/34/78/71/1134347871.db2.gz ADVGZLNIRJUZGL-BEFAXECRSA-N -1 1 344.842 3.948 20 0 EHADMM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001187874565 1134397357 /nfs/dbraw/zinc/39/73/57/1134397357.db2.gz FSCFTKWQCRXBNU-GXTWGEPZSA-N -1 1 343.445 3.524 20 0 EHADMM COc1ccc(Cl)cc1NC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001187929212 1134401939 /nfs/dbraw/zinc/40/19/39/1134401939.db2.gz QCRIOULXUKBSIU-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187961633 1134405564 /nfs/dbraw/zinc/40/55/64/1134405564.db2.gz YJOLYRWVMDLXKU-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1ncc(C(F)(F)F)[n-]1 ZINC001188289443 1134445937 /nfs/dbraw/zinc/44/59/37/1134445937.db2.gz WECSOKUIWWNFFB-UHFFFAOYSA-N -1 1 328.681 3.816 20 0 EHADMM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1nc(C(F)(F)F)c[n-]1 ZINC001188289443 1134445939 /nfs/dbraw/zinc/44/59/39/1134445939.db2.gz WECSOKUIWWNFFB-UHFFFAOYSA-N -1 1 328.681 3.816 20 0 EHADMM O=C(Nc1ncccc1-c1ccccc1)c1ncc(C(F)(F)F)[n-]1 ZINC001188278036 1134449447 /nfs/dbraw/zinc/44/94/47/1134449447.db2.gz LVHBEYUQIRDPAM-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM O=C(Nc1ncccc1-c1ccccc1)c1nc(C(F)(F)F)c[n-]1 ZINC001188278036 1134449450 /nfs/dbraw/zinc/44/94/50/1134449450.db2.gz LVHBEYUQIRDPAM-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM Cc1nc2cc(Cl)c(NC(=O)c3ncc(C(F)(F)F)[n-]3)cc2o1 ZINC001188287325 1134450769 /nfs/dbraw/zinc/45/07/69/1134450769.db2.gz FEZTWCNKYRNREP-UHFFFAOYSA-N -1 1 344.680 3.784 20 0 EHADMM Cc1nc2cc(Cl)c(NC(=O)c3nc(C(F)(F)F)c[n-]3)cc2o1 ZINC001188287325 1134450771 /nfs/dbraw/zinc/45/07/71/1134450771.db2.gz FEZTWCNKYRNREP-UHFFFAOYSA-N -1 1 344.680 3.784 20 0 EHADMM O=C(Nc1cnc2ccccc2n1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572368 1134476205 /nfs/dbraw/zinc/47/62/05/1134476205.db2.gz PRLAVTWKOBISNQ-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM O=C(CSc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc([O-])cc1 ZINC001188796701 1134504829 /nfs/dbraw/zinc/50/48/29/1134504829.db2.gz ALOKIDFGXRGXBF-UHFFFAOYSA-N -1 1 346.795 3.669 20 0 EHADMM CCCc1ccnc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189074775 1134541944 /nfs/dbraw/zinc/54/19/44/1134541944.db2.gz GUEKWAJHTMHVGT-UHFFFAOYSA-N -1 1 338.860 3.672 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2)c1 ZINC001189229596 1134554329 /nfs/dbraw/zinc/55/43/29/1134554329.db2.gz OGAVPVHWSGCSJP-UHFFFAOYSA-N -1 1 331.437 3.988 20 0 EHADMM O=S(=O)([N-]c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC001189949011 1134640572 /nfs/dbraw/zinc/64/05/72/1134640572.db2.gz WXTZMNAYCWSOSH-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2cccc3cc(O)ccc32)c(OC)c1 ZINC001190136465 1134659576 /nfs/dbraw/zinc/65/95/76/1134659576.db2.gz ABZGYPAGJOIGCU-UHFFFAOYSA-N -1 1 339.347 3.521 20 0 EHADMM O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)cc1)c1ccncc1 ZINC001190887694 1134763377 /nfs/dbraw/zinc/76/33/77/1134763377.db2.gz OXRQQZTWJSKKSZ-UHFFFAOYSA-N -1 1 344.367 3.814 20 0 EHADMM COc1cc(C(=O)Nc2cc(C3CCCC3)no2)cc(Cl)c1[O-] ZINC001191128832 1134798381 /nfs/dbraw/zinc/79/83/81/1134798381.db2.gz DWNFJPZPPKFGRT-UHFFFAOYSA-N -1 1 336.775 3.952 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ncc(C)nc2Cl)cc1 ZINC001191234071 1134832801 /nfs/dbraw/zinc/83/28/01/1134832801.db2.gz YHBVBDYVHAVCBX-UHFFFAOYSA-N -1 1 339.848 3.582 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001191820796 1134929027 /nfs/dbraw/zinc/92/90/27/1134929027.db2.gz GSLPKSXXINBINO-UHFFFAOYSA-N -1 1 343.807 3.987 20 0 EHADMM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cccnc3F)cc2)cc1 ZINC001192064115 1134963510 /nfs/dbraw/zinc/96/35/10/1134963510.db2.gz QMIKEWUHVSHZRB-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM CCOC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])n1 ZINC001192314378 1134998509 /nfs/dbraw/zinc/99/85/09/1134998509.db2.gz OHWXRBICERXSME-UHFFFAOYSA-N -1 1 342.395 3.514 20 0 EHADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc([O-])cc(F)c1F ZINC001192670930 1135043628 /nfs/dbraw/zinc/04/36/28/1135043628.db2.gz QWAMOCARVVVJMU-GOSISDBHSA-N -1 1 340.329 3.585 20 0 EHADMM O=S(=O)(CC1CCC1)[N-]c1ccccc1SC(F)(F)F ZINC001193513793 1135149194 /nfs/dbraw/zinc/14/91/94/1135149194.db2.gz KFEMOYFLECUJDA-UHFFFAOYSA-N -1 1 325.377 3.840 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c2ccccc12 ZINC001193863840 1135197878 /nfs/dbraw/zinc/19/78/78/1135197878.db2.gz KIPABHQIZPZDEU-UHFFFAOYSA-N -1 1 339.416 3.884 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)cc1 ZINC001194454679 1135269763 /nfs/dbraw/zinc/26/97/63/1135269763.db2.gz DVMHTINWHSLNAJ-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1Cl ZINC001194641845 1135295187 /nfs/dbraw/zinc/29/51/87/1135295187.db2.gz AXQKGLJICJAFSB-UHFFFAOYSA-N -1 1 337.828 3.960 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Oc2ccc3ccccc3c2)c1 ZINC001194657669 1135298975 /nfs/dbraw/zinc/29/89/75/1135298975.db2.gz QZTGHELRFXJAAO-UHFFFAOYSA-N -1 1 337.331 3.943 20 0 EHADMM Cc1cc(OC(F)F)ccc1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194781362 1135314029 /nfs/dbraw/zinc/31/40/29/1135314029.db2.gz DXFYABAGMURYPX-UHFFFAOYSA-N -1 1 335.232 3.591 20 0 EHADMM CCCc1nc2ccc(NC(=O)c3c[n-]c(C(F)(F)F)n3)cc2o1 ZINC001194782025 1135314844 /nfs/dbraw/zinc/31/48/44/1135314844.db2.gz KIFBFYSHFCKGSP-UHFFFAOYSA-N -1 1 338.289 3.775 20 0 EHADMM Cc1ccc(N(C)C(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000101527120 1135347698 /nfs/dbraw/zinc/34/76/98/1135347698.db2.gz PSPUEZLSYQETMY-UHFFFAOYSA-N -1 1 344.465 3.641 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2c(O)cc(F)cc2F)c1 ZINC001195154206 1135381897 /nfs/dbraw/zinc/38/18/97/1135381897.db2.gz VIJRUGUXCQBXQY-UHFFFAOYSA-N -1 1 327.352 3.595 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C3OCCO3)cc2)c1 ZINC001195156499 1135382988 /nfs/dbraw/zinc/38/29/88/1135382988.db2.gz OHGOZFBIUHWWNR-UHFFFAOYSA-N -1 1 347.436 3.656 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2CO)c1 ZINC001195159741 1135384112 /nfs/dbraw/zinc/38/41/12/1135384112.db2.gz VARUHPMCGSTBJZ-UHFFFAOYSA-N -1 1 339.844 3.757 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(Oc2ccc(OC)cc2)cc1 ZINC001195483443 1135431260 /nfs/dbraw/zinc/43/12/60/1135431260.db2.gz FISFOFOEPKHECM-UHFFFAOYSA-N -1 1 346.408 3.930 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(OCC)cc(C(F)(F)F)c1 ZINC001195490913 1135432662 /nfs/dbraw/zinc/43/26/62/1135432662.db2.gz QANPNMGRCAQEAB-UHFFFAOYSA-N -1 1 336.335 3.547 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1Cl)[N-]C1(C(F)F)CCCC1 ZINC000808346586 1135652109 /nfs/dbraw/zinc/65/21/09/1135652109.db2.gz HFWZDGVAQMWMJE-JXMROGBWSA-N -1 1 335.803 3.808 20 0 EHADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1N1CCCC1 ZINC000809595088 1135859255 /nfs/dbraw/zinc/85/92/55/1135859255.db2.gz DTYHIHHNPIYSKQ-UHFFFAOYSA-N -1 1 332.350 3.831 20 0 EHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1C ZINC001198868109 1135864215 /nfs/dbraw/zinc/86/42/15/1135864215.db2.gz FNXWOVYSRLKKCA-UHFFFAOYSA-N -1 1 329.377 3.745 20 0 EHADMM O=S(=O)([N-]c1cccc2c1CCCO2)c1ccc2occc2c1 ZINC001198870357 1135864312 /nfs/dbraw/zinc/86/43/12/1135864312.db2.gz OHPUNYAQHPGVTP-UHFFFAOYSA-N -1 1 329.377 3.559 20 0 EHADMM CC1(c2ccc([N-]S(=O)(=O)c3ccc4occc4c3)cc2)COC1 ZINC001198871199 1135864344 /nfs/dbraw/zinc/86/43/44/1135864344.db2.gz ZKLRJLYUYMVCSR-UHFFFAOYSA-N -1 1 343.404 3.522 20 0 EHADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1)C1CC1 ZINC001198871113 1135864744 /nfs/dbraw/zinc/86/47/44/1135864744.db2.gz XDWLXKYYBZHKPR-UHFFFAOYSA-N -1 1 341.388 3.826 20 0 EHADMM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1cc2cc(Cl)sc2[n-]1 ZINC000810704748 1135998721 /nfs/dbraw/zinc/99/87/21/1135998721.db2.gz MMCILDKLWTWBEL-UHFFFAOYSA-N -1 1 346.795 3.987 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccn3nccc23)c(C)c1C ZINC001201795593 1136063216 /nfs/dbraw/zinc/06/32/16/1136063216.db2.gz RCIJGVXAGHZNMU-UHFFFAOYSA-N -1 1 343.452 3.677 20 0 EHADMM CON(Cc1ccccc1Cl)C(=O)c1c(F)ccc([O-])c1F ZINC000812429127 1136207324 /nfs/dbraw/zinc/20/73/24/1136207324.db2.gz SIFPTQZILAXNAU-UHFFFAOYSA-N -1 1 327.714 3.528 20 0 EHADMM O=S(=O)(/C=C/c1ccccc1F)[N-][C@@H](c1ccccc1)C(F)F ZINC000814286012 1136433896 /nfs/dbraw/zinc/43/38/96/1136433896.db2.gz VCZMYIGSQOVMSD-NKSUMMKUSA-N -1 1 341.354 3.722 20 0 EHADMM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc([O-])c1F ZINC001135302363 1136655331 /nfs/dbraw/zinc/65/53/31/1136655331.db2.gz 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1136853721 /nfs/dbraw/zinc/85/37/21/1136853721.db2.gz XKSJGSNYCUILCL-UHFFFAOYSA-N -1 1 343.732 3.923 20 0 EHADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc2ccccc2cc1[O-] ZINC001136266107 1136959402 /nfs/dbraw/zinc/95/94/02/1136959402.db2.gz MQIXKDQEEWOGTI-IFXJQAMLSA-N -1 1 327.424 3.871 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)[C@H]2CCCCO2)c1 ZINC000858423575 1136966501 /nfs/dbraw/zinc/96/65/01/1136966501.db2.gz LLPAPBPNCXIEBC-SWLSCSKDSA-N -1 1 344.377 3.543 20 0 EHADMM CCc1cccc2c(CC(=O)n3[n-]c(=O)c4ccc(OC)cc43)c[nH]c21 ZINC000819955256 1136966939 /nfs/dbraw/zinc/96/69/39/1136966939.db2.gz JFSWMWZZCFGOFR-UHFFFAOYSA-N -1 1 349.390 3.677 20 0 EHADMM CCCOc1c(C=Cc2ncc(OC)c(=O)[n-]2)cccc1OCC ZINC000821008911 1137015609 /nfs/dbraw/zinc/01/56/09/1137015609.db2.gz UJVFSFMJPLOALO-KTKRTIGZSA-N -1 1 330.384 3.549 20 0 EHADMM CC(C)(CCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000859793518 1137030794 /nfs/dbraw/zinc/03/07/94/1137030794.db2.gz NOIGFHOZLCSTJO-AWEZNQCLSA-N -1 1 345.361 3.580 20 0 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[O-]c1cc(F)c(CN2CCOC[C@H]2c2ccccc2Cl)cc1F ZINC001144663274 1137325053 /nfs/dbraw/zinc/32/50/53/1137325053.db2.gz BLLWCLLJESHXEM-INIZCTEOSA-N -1 1 339.769 3.897 20 0 EHADMM O=C(c1ccccc1F)C1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144664134 1137325114 /nfs/dbraw/zinc/32/51/14/1137325114.db2.gz WRFXKGNLYKBYTC-UHFFFAOYSA-N -1 1 349.352 3.904 20 0 EHADMM Cc1ccc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)c(C)c1 ZINC001144658501 1137327285 /nfs/dbraw/zinc/32/72/85/1137327285.db2.gz YZDPZUKRJHKGRY-UHFFFAOYSA-N -1 1 332.394 3.609 20 0 EHADMM CO[C@@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1C(F)(F)F ZINC001146491430 1137391120 /nfs/dbraw/zinc/39/11/20/1137391120.db2.gz BDNFIDXSNZBWHS-CQSZACIVSA-N -1 1 343.276 3.876 20 0 EHADMM CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2c([O-])cccc2F)n1 ZINC001146491384 1137391177 /nfs/dbraw/zinc/39/11/77/1137391177.db2.gz ARJVTYKRIOQRRO-UHFFFAOYSA-N -1 1 347.346 3.526 20 0 EHADMM C[C@@H]1C[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)[C@H](C)O1 ZINC000868291953 1137404836 /nfs/dbraw/zinc/40/48/36/1137404836.db2.gz 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CCN(Cc1nc(=O)c2sccc2[n-]1)[C@H](C)c1cccc(OC)c1 ZINC000103467037 1137876493 /nfs/dbraw/zinc/87/64/93/1137876493.db2.gz ZWBXZZSLKIZWCD-GFCCVEGCSA-N -1 1 343.452 3.576 20 0 EHADMM O=C(CCC1CC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000115333606 1137921533 /nfs/dbraw/zinc/92/15/33/1137921533.db2.gz DHYYDMLPNWOWNA-UHFFFAOYSA-N -1 1 344.436 3.616 20 0 EHADMM CC[C@H]1CCc2nc(NC(=O)c3c(F)ccc([O-])c3F)sc2C1 ZINC000332116005 1137932239 /nfs/dbraw/zinc/93/22/39/1137932239.db2.gz BABMYWACYRBPNL-QMMMGPOBSA-N -1 1 338.379 3.894 20 0 EHADMM Cc1nc(CCCC(=O)Nc2cc(F)c([O-])cc2Cl)cs1 ZINC000885676699 1138017810 /nfs/dbraw/zinc/01/78/10/1138017810.db2.gz RZZUFBDHROSVNF-UHFFFAOYSA-N -1 1 328.796 3.911 20 0 EHADMM O=C(C[C@H]1CC[C@H](C(F)(F)F)O1)Nc1cc(F)c([O-])cc1Cl ZINC000885682558 1138018372 /nfs/dbraw/zinc/01/83/72/1138018372.db2.gz RTOVSJPRNJTINE-KSBSHMNSSA-N -1 1 341.688 3.623 20 0 EHADMM CC(C)c1nnc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)s1 ZINC000057779093 1138060360 /nfs/dbraw/zinc/06/03/60/1138060360.db2.gz ZWMUSGIYGQOCFE-UHFFFAOYSA-N -1 1 335.191 3.755 20 0 EHADMM CC(C)Cc1nnc([N-]C(=O)c2coc(-c3ccccc3)n2)s1 ZINC000078032033 1138144848 /nfs/dbraw/zinc/14/48/48/1138144848.db2.gz LGTHJPJAJBYEOH-UHFFFAOYSA-N -1 1 328.397 3.644 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](CSc2ccccc2)C1 ZINC000080032275 1138160336 /nfs/dbraw/zinc/16/03/36/1138160336.db2.gz SRTLNBVRAOXEKW-CYBMUJFWSA-N -1 1 331.412 3.786 20 0 EHADMM CCCCOc1ccccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121929782 1138252444 /nfs/dbraw/zinc/25/24/44/1138252444.db2.gz NMLFWOGTHRBIOV-UHFFFAOYSA-N -1 1 342.395 3.782 20 0 EHADMM CCCCc1nnc([N-]C(=O)c2cnc(-c3ccco3)s2)s1 ZINC000264083589 1138415817 /nfs/dbraw/zinc/41/58/17/1138415817.db2.gz UZCBNUNCJDSDQA-UHFFFAOYSA-N -1 1 334.426 3.850 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2cccc(C[S@@](C)=O)c2)c([O-])c1 ZINC000265225320 1138771728 /nfs/dbraw/zinc/77/17/28/1138771728.db2.gz YJUBVQHNSNYTBS-HSZRJFAPSA-N -1 1 331.437 3.646 20 0 EHADMM CC(C)c1nnc2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cn21 ZINC000338481746 1138934725 /nfs/dbraw/zinc/93/47/25/1138934725.db2.gz BGXBSAOQGOVHPA-UHFFFAOYSA-N -1 1 345.790 3.856 20 0 EHADMM COC(=O)c1cc(C)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)o1 ZINC000887809982 1138941263 /nfs/dbraw/zinc/94/12/63/1138941263.db2.gz XSNUQLSTSWZDPV-UHFFFAOYSA-N -1 1 349.412 3.526 20 0 EHADMM C[C@]12CN(C(=O)c3ccc4ccc(O)cc4c3[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000887871560 1138964376 /nfs/dbraw/zinc/96/43/76/1138964376.db2.gz GANHFINUQFQZKB-UYELDUJUSA-N -1 1 335.403 3.535 20 0 EHADMM CCOc1cc(C(=O)Nc2cccnc2C2CC2)cc(Cl)c1[O-] ZINC000889880890 1139278639 /nfs/dbraw/zinc/27/86/39/1139278639.db2.gz PFMCMUUDJQDYAF-UHFFFAOYSA-N -1 1 332.787 3.969 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000180357681 1139828741 /nfs/dbraw/zinc/82/87/41/1139828741.db2.gz NLSOESAEMPUFBM-CQSZACIVSA-N -1 1 336.313 3.783 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(c2ccsc2)CC1 ZINC000777400109 1140068125 /nfs/dbraw/zinc/06/81/25/1140068125.db2.gz ZFRPENSHRNHKPY-UHFFFAOYSA-N -1 1 345.468 3.695 20 0 EHADMM CCc1noc([C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000185059383 1140134466 /nfs/dbraw/zinc/13/44/66/1140134466.db2.gz DEEDLKPTSMPWJX-LLVKDONJSA-N -1 1 342.424 3.544 20 0 EHADMM O=c1cc(C2CC2)nc(SCc2ccc(Br)cn2)[n-]1 ZINC000195081134 1140629773 /nfs/dbraw/zinc/62/97/73/1140629773.db2.gz SJGDIERLXSANSC-UHFFFAOYSA-N -1 1 338.230 3.509 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@H](C)c1ccccc1 ZINC000267041244 1140753647 /nfs/dbraw/zinc/75/36/47/1140753647.db2.gz UJXUNJBCMIPRCS-ZDUSSCGKSA-N -1 1 341.455 3.712 20 0 EHADMM CC(C)Cn1ncc(NC(=O)c2c(F)ccc([O-])c2F)c1C(F)F ZINC000348965282 1141616543 /nfs/dbraw/zinc/61/65/43/1141616543.db2.gz LUXHRIBVJHLEST-UHFFFAOYSA-N -1 1 345.296 3.713 20 0 EHADMM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1c(F)ccc([O-])c1F ZINC000349014868 1141622668 /nfs/dbraw/zinc/62/26/68/1141622668.db2.gz XNSPRKDYXUMKJB-UHFFFAOYSA-N -1 1 329.705 3.735 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1 ZINC000019806559 212071310 /nfs/dbraw/zinc/07/13/10/212071310.db2.gz YVISWVWTMKAFHI-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM CCOc1cc(C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)cc(Cl)c1[O-] ZINC000616443935 479909651 /nfs/dbraw/zinc/90/96/51/479909651.db2.gz TVWBGCUNLGGSTK-PSASIEDQSA-N -1 1 335.791 3.543 20 0 EHADMM Cc1cccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1C ZINC000737388731 599066183 /nfs/dbraw/zinc/06/61/83/599066183.db2.gz LLWXBJKYUPNANQ-LLVKDONJSA-N -1 1 328.807 3.705 20 0 EHADMM Cc1cccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1C ZINC000737388731 599066185 /nfs/dbraw/zinc/06/61/85/599066185.db2.gz LLWXBJKYUPNANQ-LLVKDONJSA-N -1 1 328.807 3.705 20 0 EHADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1c(Cl)cccc1Cl ZINC000736026798 599424159 /nfs/dbraw/zinc/42/41/59/599424159.db2.gz RIJQTGWHMVKFSU-VIFPVBQESA-N -1 1 349.225 3.784 20 0 EHADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1c(Cl)cccc1Cl ZINC000736026798 599424161 /nfs/dbraw/zinc/42/41/61/599424161.db2.gz RIJQTGWHMVKFSU-VIFPVBQESA-N -1 1 349.225 3.784 20 0 EHADMM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737575500 599437031 /nfs/dbraw/zinc/43/70/31/599437031.db2.gz XBEHWRRYBBDNBF-NSHDSACASA-N -1 1 347.209 3.668 20 0 EHADMM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737575500 599437033 /nfs/dbraw/zinc/43/70/33/599437033.db2.gz XBEHWRRYBBDNBF-NSHDSACASA-N -1 1 347.209 3.668 20 0 EHADMM CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000820924918 599464882 /nfs/dbraw/zinc/46/48/82/599464882.db2.gz BXLKLNCAZLWYOW-SNVBAGLBSA-N -1 1 334.836 3.848 20 0 EHADMM CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000820924918 599464884 /nfs/dbraw/zinc/46/48/84/599464884.db2.gz BXLKLNCAZLWYOW-SNVBAGLBSA-N -1 1 334.836 3.848 20 0 EHADMM COc1cccc(-c2nc(CN3CCCC[C@H]3CC(=O)[O-])cs2)c1 ZINC000650506303 599754406 /nfs/dbraw/zinc/75/44/06/599754406.db2.gz GWMRNOAFDZCWHJ-HNNXBMFYSA-N -1 1 346.452 3.648 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(F)ccc1Br)c1ccccc1 ZINC000050510793 599786492 /nfs/dbraw/zinc/78/64/92/599786492.db2.gz PEPSOAVVZSWLRR-AWEZNQCLSA-N -1 1 338.176 3.504 20 0 EHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000574458791 600440964 /nfs/dbraw/zinc/44/09/64/600440964.db2.gz WRPFYQVHKPKRNI-TZMCWYRMSA-N -1 1 345.370 3.773 20 0 EHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000582067731 600629878 /nfs/dbraw/zinc/62/98/78/600629878.db2.gz GDPCFZUWNOQTBW-LBPRGKRZSA-N -1 1 333.359 3.721 20 0 EHADMM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)C1 ZINC000179990812 600836819 /nfs/dbraw/zinc/83/68/19/600836819.db2.gz VSFBRIKEKNWCTQ-OLZOCXBDSA-N -1 1 341.411 3.660 20 0 EHADMM Cc1ccccc1-c1cnc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])o1 ZINC000547807044 600986129 /nfs/dbraw/zinc/98/61/29/600986129.db2.gz WDWCAIANBXYCCO-OIISXLGYSA-N -1 1 340.423 3.868 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000521446477 601411931 /nfs/dbraw/zinc/41/19/31/601411931.db2.gz BQRMANHRTPDCGF-UHFFFAOYSA-N -1 1 341.407 3.635 20 0 EHADMM C[C@@H]1CN(Cn2c(-c3ccccc3)csc2=S)C[C@H]1C(=O)[O-] ZINC000828464454 601817497 /nfs/dbraw/zinc/81/74/97/601817497.db2.gz UZIPUAHZUCNDAR-DGCLKSJQSA-N -1 1 334.466 3.556 20 0 EHADMM O=C([O-])c1cc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)c[nH]1 ZINC000833296769 601832804 /nfs/dbraw/zinc/83/28/04/601832804.db2.gz VRZXZQUINVUVBA-UHFFFAOYSA-N -1 1 325.195 3.799 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824753009 607534046 /nfs/dbraw/zinc/53/40/46/607534046.db2.gz BCHWYIGCSUMDSA-SNVBAGLBSA-N -1 1 331.832 3.910 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824753009 607534048 /nfs/dbraw/zinc/53/40/48/607534048.db2.gz BCHWYIGCSUMDSA-SNVBAGLBSA-N -1 1 331.832 3.910 20 0 EHADMM COc1ccc(OC)c(CN(Cc2ccoc2C(=O)[O-])C(C)(C)C)c1 ZINC000832435252 602326211 /nfs/dbraw/zinc/32/62/11/602326211.db2.gz COLOUZBCENMPLO-UHFFFAOYSA-N -1 1 347.411 3.796 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000829658309 602398057 /nfs/dbraw/zinc/39/80/57/602398057.db2.gz CFSWOEPWEJMNGM-KRWDZBQOSA-N -1 1 344.386 3.546 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740028167 602502631 /nfs/dbraw/zinc/50/26/31/602502631.db2.gz HYEHCXAIWWEYCK-UHFFFAOYSA-N -1 1 336.351 3.727 20 0 EHADMM CC(C)Oc1ccccc1[C@@H](C)NCc1ccc(NC(=O)[O-])nc1 ZINC000824424477 603537255 /nfs/dbraw/zinc/53/72/55/603537255.db2.gz AXYONSZRKVYDOM-CYBMUJFWSA-N -1 1 329.400 3.810 20 0 EHADMM Cc1ccc(-c2cnc(CN(C)C3CCC(NC(=O)[O-])CC3)o2)cc1 ZINC000830149903 603783760 /nfs/dbraw/zinc/78/37/60/603783760.db2.gz VRLUGDISDLVZEH-UHFFFAOYSA-N -1 1 343.427 3.661 20 0 EHADMM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN1CC[C@@H](C(=O)[O-])C1 ZINC000833512253 604545114 /nfs/dbraw/zinc/54/51/14/604545114.db2.gz RVZXNWYSERQOAA-CYBMUJFWSA-N -1 1 347.846 3.556 20 0 EHADMM Cc1nc(CN(CCCC(=O)[O-])Cc2ccccc2)nc2ccccc12 ZINC000564218355 604800360 /nfs/dbraw/zinc/80/03/60/604800360.db2.gz BZFVBDXTQZKBAQ-UHFFFAOYSA-N -1 1 349.434 3.805 20 0 EHADMM O=C([O-])c1occc1CNCc1ccc(Oc2cccc(F)c2)nc1 ZINC000833785426 605089636 /nfs/dbraw/zinc/08/96/36/605089636.db2.gz VEOMTEMYTUYBND-UHFFFAOYSA-N -1 1 342.326 3.594 20 0 EHADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@@H]2c2nc3ccccc3o2)O1 ZINC000833585442 605370244 /nfs/dbraw/zinc/37/02/44/605370244.db2.gz SHOJFMDLNCGPFJ-CZUORRHYSA-N -1 1 342.395 3.502 20 0 EHADMM CCC1CCC(N(C(=O)c2ccc(-c3nnn[n-]3)s2)C2CC2)CC1 ZINC000820971515 606503321 /nfs/dbraw/zinc/50/33/21/606503321.db2.gz CREUQFSALKKXDO-UHFFFAOYSA-N -1 1 345.472 3.502 20 0 EHADMM CCC1CCC(N(C(=O)c2ccc(-c3nn[n-]n3)s2)C2CC2)CC1 ZINC000820971515 606503323 /nfs/dbraw/zinc/50/33/23/606503323.db2.gz CREUQFSALKKXDO-UHFFFAOYSA-N -1 1 345.472 3.502 20 0 EHADMM Clc1cccc2c1CC[C@H]2SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826353672 607786000 /nfs/dbraw/zinc/78/60/00/607786000.db2.gz ZFIBXMRRMBWSQG-OAHLLOKOSA-N -1 1 343.843 3.836 20 0 EHADMM Clc1cccc2c1CC[C@H]2SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826353672 607786001 /nfs/dbraw/zinc/78/60/01/607786001.db2.gz ZFIBXMRRMBWSQG-OAHLLOKOSA-N -1 1 343.843 3.836 20 0 EHADMM Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826376140 608307092 /nfs/dbraw/zinc/30/70/92/608307092.db2.gz PVLMHVVQCVEOPE-CYBMUJFWSA-N -1 1 344.781 3.544 20 0 EHADMM Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826376140 608307094 /nfs/dbraw/zinc/30/70/94/608307094.db2.gz PVLMHVVQCVEOPE-CYBMUJFWSA-N -1 1 344.781 3.544 20 0 EHADMM CC(C)c1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)C)cc1 ZINC000824347521 608391099 /nfs/dbraw/zinc/39/10/99/608391099.db2.gz BZCVLKWUHZATHG-KRWDZBQOSA-N -1 1 337.431 3.589 20 0 EHADMM CC(C)c1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)C)cc1 ZINC000824347521 608391101 /nfs/dbraw/zinc/39/11/01/608391101.db2.gz BZCVLKWUHZATHG-KRWDZBQOSA-N -1 1 337.431 3.589 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1F ZINC000460820576 1032059502 /nfs/dbraw/zinc/05/95/02/1032059502.db2.gz OKIHFZAXDGRYKO-UHFFFAOYSA-N -1 1 341.379 3.781 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2[nH]1 ZINC000328096432 971446508 /nfs/dbraw/zinc/44/65/08/971446508.db2.gz ZWMKFDRIEYHANK-RYUDHWBXSA-N -1 1 343.427 3.690 20 0 EHADMM C[C@H]1CCCC[C@H]1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001576171079 949748109 /nfs/dbraw/zinc/74/81/09/949748109.db2.gz OCZJEJKNFOOMRL-UWVGGRQHSA-N -1 1 340.353 3.519 20 0 EHADMM C[C@H]1CCCC[C@H]1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001576171079 949748121 /nfs/dbraw/zinc/74/81/21/949748121.db2.gz OCZJEJKNFOOMRL-UWVGGRQHSA-N -1 1 340.353 3.519 20 0 EHADMM C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263382780 950424116 /nfs/dbraw/zinc/42/41/16/950424116.db2.gz XNIOSTWDBSABDX-WOPDTQHZSA-N -1 1 337.370 3.535 20 0 EHADMM O=C([O-])[C@@H](NCc1ccc(-c2ncco2)cc1F)c1ccc(F)cc1 ZINC001594844824 954128533 /nfs/dbraw/zinc/12/85/33/954128533.db2.gz XKIAFRCAZOLGLY-INIZCTEOSA-N -1 1 344.317 3.535 20 0 EHADMM C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)N(C)C[C@H](C)C(=O)[O-] ZINC001603155521 972255013 /nfs/dbraw/zinc/25/50/13/972255013.db2.gz ATSUMXBDMUPFJI-QWHCGFSZSA-N -1 1 339.395 3.603 20 0 EHADMM Cc1ccc(C=Cc2n[nH]c(SCCC3(C(=O)[O-])CCC3)n2)o1 ZINC001574361454 961026872 /nfs/dbraw/zinc/02/68/72/961026872.db2.gz KZROJKKXZYGCNG-WAYWQWQTSA-N -1 1 333.413 3.614 20 0 EHADMM C[C@@H]1CN(Cc2c(Cl)cc(Cl)cc2N(C)C)CC[C@@H]1C(=O)[O-] ZINC000625970567 968513804 /nfs/dbraw/zinc/51/38/04/968513804.db2.gz URRJLQWZOTUBQB-PWSUYJOCSA-N -1 1 345.270 3.602 20 0 EHADMM O=C([O-])c1cccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC001606509993 974002887 /nfs/dbraw/zinc/00/28/87/974002887.db2.gz ZAZVTEQYFLTLQB-IBGZPJMESA-N -1 1 343.398 3.705 20 0 EHADMM O=C([O-])CCCCN1CCC[C@@H]1c1ccc(Br)s1 ZINC000455662442 974151675 /nfs/dbraw/zinc/15/16/75/974151675.db2.gz RGIVFENKFLKIRD-SNVBAGLBSA-N -1 1 332.263 3.902 20 0 EHADMM O=C([O-])c1ccc2c(c1)C[N@H+](CCCOc1cccc(Cl)c1)CC2 ZINC000516872797 974310727 /nfs/dbraw/zinc/31/07/27/974310727.db2.gz PGXINUOEXVAGAJ-UHFFFAOYSA-N -1 1 345.826 3.865 20 0 EHADMM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000566357986 974607260 /nfs/dbraw/zinc/60/72/60/974607260.db2.gz BQXMBTDBNOZMPZ-CQSZACIVSA-N -1 1 345.420 3.555 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2)[C@H](C(=O)[O-])C1 ZINC000566367789 974611561 /nfs/dbraw/zinc/61/15/61/974611561.db2.gz RHRIEJHCVUVQJZ-RNCFNFMXSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2)[C@@H](C(=O)[O-])C1 ZINC000566367790 974611834 /nfs/dbraw/zinc/61/18/34/974611834.db2.gz RHRIEJHCVUVQJZ-TVQRCGJNSA-N -1 1 346.652 3.788 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1F ZINC000569824983 974699826 /nfs/dbraw/zinc/69/98/26/974699826.db2.gz GGVBMTHXWVHREJ-LBPRGKRZSA-N -1 1 335.325 3.792 20 0 EHADMM O=C([O-])c1csc(CN2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000570933903 974719850 /nfs/dbraw/zinc/71/98/50/974719850.db2.gz QHHVLKLFNKFKIQ-UHFFFAOYSA-N -1 1 341.436 3.702 20 0 EHADMM O=C([O-])c1csc(CN2CCCC[C@H]2CCc2ccccc2)n1 ZINC000573927457 974773369 /nfs/dbraw/zinc/77/33/69/974773369.db2.gz NHSYCPDFCXLXSX-HNNXBMFYSA-N -1 1 330.453 3.829 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2csc(C3CCCC3)n2)[C@@H]2CCC[C@H]21 ZINC000629373684 975088998 /nfs/dbraw/zinc/08/89/98/975088998.db2.gz KXEVSYLDPSHKER-ARFHVFGLSA-N -1 1 334.485 3.876 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@H](Oc3cccc(F)c3)C2)cc1Cl ZINC000634697682 975275209 /nfs/dbraw/zinc/27/52/09/975275209.db2.gz OSDTUBPCYAWMHT-HNNXBMFYSA-N -1 1 349.789 3.831 20 0 EHADMM COc1cc(OC)c(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000649507333 975422199 /nfs/dbraw/zinc/42/21/99/975422199.db2.gz QOEDMWKXDNIMBJ-INIZCTEOSA-N -1 1 347.386 3.539 20 0 EHADMM CCO[C@H](C)c1nc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000652498687 975561747 /nfs/dbraw/zinc/56/17/47/975561747.db2.gz PUZRUCCRJIGCNG-CHWSQXEVSA-N -1 1 340.489 3.563 20 0 EHADMM COc1ccc(Cl)cc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656766095 975699235 /nfs/dbraw/zinc/69/92/35/975699235.db2.gz QAZUVDFFJGDUFB-PMPSAXMXSA-N -1 1 337.847 3.814 20 0 EHADMM CC(C)c1[nH]c(CN[C@@H](C)c2cc(F)ccc2N(C)C)cc1C(=O)[O-] ZINC001591916120 976363287 /nfs/dbraw/zinc/36/32/87/976363287.db2.gz IXXLDYBPHAHIOS-LBPRGKRZSA-N -1 1 347.434 3.892 20 0 EHADMM CC(C)c1ccc(CN(C)Cc2ccccc2OCC(=O)[O-])cc1 ZINC001591954470 976526566 /nfs/dbraw/zinc/52/65/66/976526566.db2.gz WIPMGMNLPFDPCZ-UHFFFAOYSA-N -1 1 327.424 3.905 20 0 EHADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1c(C)cccc1F ZINC000547627470 1014363094 /nfs/dbraw/zinc/36/30/94/1014363094.db2.gz GKPOKIZRZHEVAD-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM C[C@@](CC(=O)[O-])(NCc1cccc(Cl)c1Cl)c1cccnc1 ZINC001592328322 977745812 /nfs/dbraw/zinc/74/58/12/977745812.db2.gz KTWSKNGIRRAMBY-INIZCTEOSA-N -1 1 339.222 3.868 20 0 EHADMM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC001626294532 1014490494 /nfs/dbraw/zinc/49/04/94/1014490494.db2.gz TWEXUECZKASYKD-TVQRCGJNSA-N -1 1 341.716 3.749 20 0 EHADMM CCC(CC)(NCC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001595101023 979403688 /nfs/dbraw/zinc/40/36/88/979403688.db2.gz HYWVRGSPQXJSOI-UHFFFAOYSA-N -1 1 340.423 3.525 20 0 EHADMM C[C@H](Cc1ccc(NC(=O)c2ccc(Cl)c(O)c2)cc1)C(=O)[O-] ZINC001592873582 979736676 /nfs/dbraw/zinc/73/66/76/979736676.db2.gz WSVHQIZSFHBLBU-SNVBAGLBSA-N -1 1 333.771 3.561 20 0 EHADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1Br)c1ccncc1 ZINC001595299533 980428675 /nfs/dbraw/zinc/42/86/75/980428675.db2.gz WTUDISQZPHIQAB-HNNXBMFYSA-N -1 1 349.228 3.783 20 0 EHADMM CC[C@](NCc1cncc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595304203 980438224 /nfs/dbraw/zinc/43/82/24/980438224.db2.gz BHBWAIOLVBTYCV-MRXNPFEDSA-N -1 1 339.222 3.868 20 0 EHADMM CO[C@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC000902031592 980702027 /nfs/dbraw/zinc/70/20/27/980702027.db2.gz KJDUEDHTZUAOPL-GOEBONIOSA-N -1 1 349.814 3.664 20 0 EHADMM COc1ccccc1[C@@H](CNCc1cc(C(=O)[O-])c(C)o1)OC(C)C ZINC000902367458 980856541 /nfs/dbraw/zinc/85/65/41/980856541.db2.gz IUKQRLYHPOSSRG-GOSISDBHSA-N -1 1 347.411 3.551 20 0 EHADMM Cc1conc1CN1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000903635892 981010657 /nfs/dbraw/zinc/01/06/57/981010657.db2.gz OMCCFPDJCVZPAN-UHFFFAOYSA-N -1 1 339.395 3.542 20 0 EHADMM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c(F)c1OC ZINC000904011692 981080181 /nfs/dbraw/zinc/08/01/81/981080181.db2.gz FZECTFHIZPLUKO-OAHLLOKOSA-N -1 1 347.386 3.539 20 0 EHADMM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(C(C)(C)C)s2)cc1 ZINC000683171023 1014711909 /nfs/dbraw/zinc/71/19/09/1014711909.db2.gz DTDNPRKJSQYPJJ-HNNXBMFYSA-N -1 1 348.468 3.755 20 0 EHADMM CC[C@H]1c2ccsc2CCN1Cc1cc(C(=O)[O-])ccc1OC ZINC001595503483 981276624 /nfs/dbraw/zinc/27/66/24/981276624.db2.gz BQJZKELNXFZFNB-HNNXBMFYSA-N -1 1 331.437 3.964 20 0 EHADMM CCC[C@@]1(NCc2csc(-c3cccc(C(=O)[O-])c3)n2)CCOC1 ZINC001595619188 981674007 /nfs/dbraw/zinc/67/40/07/981674007.db2.gz UQPUGKHPYZKQKW-GOSISDBHSA-N -1 1 346.452 3.557 20 0 EHADMM C=CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000064606787 1014868465 /nfs/dbraw/zinc/86/84/65/1014868465.db2.gz QZIHZECMQHKUOQ-UHFFFAOYSA-N -1 1 345.420 3.529 20 0 EHADMM CC(=O)Nc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589204751 985663286 /nfs/dbraw/zinc/66/32/86/985663286.db2.gz CEXCDVBISHPNKJ-DIFFPNOSSA-N -1 1 346.814 3.775 20 0 EHADMM CCOc1ccc([C@H](C)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1 ZINC001597074798 986603085 /nfs/dbraw/zinc/60/30/85/986603085.db2.gz UZVKWIOTKGQBTC-LBPRGKRZSA-N -1 1 339.395 3.511 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC001589468449 986931042 /nfs/dbraw/zinc/93/10/42/986931042.db2.gz ILJPXLFHHFXERT-XHDPSFHLSA-N -1 1 338.329 3.652 20 0 EHADMM CC[C@@H]1c2ccccc2CN1C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000890613109 1015271992 /nfs/dbraw/zinc/27/19/92/1015271992.db2.gz VMTOXWIBZRHKNK-OAHLLOKOSA-N -1 1 339.439 3.895 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC000655276122 1015301162 /nfs/dbraw/zinc/30/11/62/1015301162.db2.gz CAXSGMIHVGFRSO-MRXNPFEDSA-N -1 1 325.408 3.719 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nccc(Cl)c2Cl)C1 ZINC001589616118 987475051 /nfs/dbraw/zinc/47/50/51/987475051.db2.gz GZBFZOCINUUWMU-SNVBAGLBSA-N -1 1 331.243 3.711 20 0 EHADMM CCc1[nH]c(CN2CCC[C@@H]2c2ccc(OC)cc2)cc1C(=O)[O-] ZINC001597386322 987602770 /nfs/dbraw/zinc/60/27/70/987602770.db2.gz IKCDLFZCNVURAN-GOSISDBHSA-N -1 1 328.412 3.621 20 0 EHADMM CSCc1cccc(CN[C@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001599803019 988209021 /nfs/dbraw/zinc/20/90/21/988209021.db2.gz FTJPGJRMVUIEKI-CQSZACIVSA-N -1 1 345.464 3.864 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC001597767411 989220561 /nfs/dbraw/zinc/22/05/61/989220561.db2.gz MEFWPXDLTHLMEG-INIZCTEOSA-N -1 1 349.452 3.595 20 0 EHADMM CC(C)(C)OC(=O)c1cccc(CNCc2csc(C(=O)[O-])c2)c1 ZINC001590364973 989834301 /nfs/dbraw/zinc/83/43/01/989834301.db2.gz ABTNCLQXWOTLFX-UHFFFAOYSA-N -1 1 347.436 3.691 20 0 EHADMM CC(C)[C@H]1CN(Cc2oc(Br)cc2C(=O)[O-])[C@H]1C(C)C ZINC001591096837 991695670 /nfs/dbraw/zinc/69/56/70/991695670.db2.gz VOTROTJBPUKDIF-RISCZKNCSA-N -1 1 344.249 3.853 20 0 EHADMM O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1cncc([O-])c1 ZINC000339814439 1015697772 /nfs/dbraw/zinc/69/77/72/1015697772.db2.gz PIHMGKDAQLBCRJ-UHFFFAOYSA-N -1 1 340.329 3.585 20 0 EHADMM C[C@@H](CC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cccnc1 ZINC000339839879 1015734896 /nfs/dbraw/zinc/73/48/96/1015734896.db2.gz GPWPKWNPAVVNNE-JTQLQIEISA-N -1 1 346.843 3.741 20 0 EHADMM COc1ccc(OC)c([C@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599603259 993847249 /nfs/dbraw/zinc/84/72/49/993847249.db2.gz UCKVMIBVVNJGOJ-GTNSWQLSSA-N -1 1 349.814 3.834 20 0 EHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccns1 ZINC001593190805 994127975 /nfs/dbraw/zinc/12/79/75/994127975.db2.gz WOYJBUFBNVDNSJ-QPUJVOFHSA-N -1 1 330.331 3.638 20 0 EHADMM C[C@H](NC1(c2cccc(F)c2)CC1)c1ccccc1OCC(=O)[O-] ZINC001593210177 994244143 /nfs/dbraw/zinc/24/41/43/994244143.db2.gz NERRRGAOZADMDV-ZDUSSCGKSA-N -1 1 329.371 3.629 20 0 EHADMM C[C@H](NCc1cc(Cl)cc(Cl)c1)c1cncc(C(=O)[O-])c1 ZINC001593293957 994688195 /nfs/dbraw/zinc/68/81/95/994688195.db2.gz ZTNBAYSLLAOIIM-VIFPVBQESA-N -1 1 325.195 3.937 20 0 EHADMM C[C@@H](NCc1cccc(C(=O)OC(C)(C)C)c1)c1cc(C(=O)[O-])co1 ZINC001593304281 994743786 /nfs/dbraw/zinc/74/37/86/994743786.db2.gz KRSVXDKWQIMZPE-GFCCVEGCSA-N -1 1 345.395 3.784 20 0 EHADMM C[C@H](NCc1nc2cc(Cl)ccc2n1C)c1cc(C(=O)[O-])cs1 ZINC001593311556 994783897 /nfs/dbraw/zinc/78/38/97/994783897.db2.gz HXNVUXXCDKMDFS-VIFPVBQESA-N -1 1 349.843 3.837 20 0 EHADMM C[C@@H](NCc1nc2cc(Cl)ccc2n1C)c1cc(C(=O)[O-])cs1 ZINC001593311555 994784214 /nfs/dbraw/zinc/78/42/14/994784214.db2.gz HXNVUXXCDKMDFS-SECBINFHSA-N -1 1 349.843 3.837 20 0 EHADMM C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC001593353338 994976809 /nfs/dbraw/zinc/97/68/09/994976809.db2.gz UEQDABGFXZPJFF-NWDGAFQWSA-N -1 1 343.358 3.714 20 0 EHADMM O=C(CCc1nc(C2CCCC2)no1)Nc1ccc([O-])c(Cl)c1 ZINC000135425628 1032134353 /nfs/dbraw/zinc/13/43/53/1032134353.db2.gz VKGNBLDIQPCSKF-UHFFFAOYSA-N -1 1 335.791 3.658 20 0 EHADMM C[C@@H](Oc1ccccc1CN[C@@H]1CCCc2ccc(F)cc21)C(=O)[O-] ZINC001593649710 996004002 /nfs/dbraw/zinc/00/40/02/996004002.db2.gz XVOVQBSJDVQDET-FZKQIMNGSA-N -1 1 343.398 3.845 20 0 EHADMM C[C@@H](c1c(F)cccc1F)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593688054 996129740 /nfs/dbraw/zinc/12/97/40/996129740.db2.gz YWFCRTZYYITMLY-UWVGGRQHSA-N -1 1 338.379 3.670 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1C ZINC000538089674 1032135650 /nfs/dbraw/zinc/13/56/50/1032135650.db2.gz CBBPPPVCJJKSSH-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM COc1ccc(CN(C)Cc2ccsc2C(=O)[O-])cc1Cl ZINC001599557868 998126579 /nfs/dbraw/zinc/12/65/79/998126579.db2.gz BAJRIVVVKUGIQW-UHFFFAOYSA-N -1 1 325.817 3.740 20 0 EHADMM COc1ccc(CN(Cc2nc(C(=O)[O-])cs2)[C@@H](C)C2CC2)cc1 ZINC001599559887 998170228 /nfs/dbraw/zinc/17/02/28/998170228.db2.gz UXCZBARQFAYFOO-LBPRGKRZSA-N -1 1 346.452 3.651 20 0 EHADMM COCCSc1ccc([C@@H](C)NCc2occc2C(=O)[O-])cc1 ZINC001599265630 998463712 /nfs/dbraw/zinc/46/37/12/998463712.db2.gz QPIQXUBFZOOZSS-GFCCVEGCSA-N -1 1 335.425 3.567 20 0 EHADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001594213184 998823096 /nfs/dbraw/zinc/82/30/96/998823096.db2.gz CANQMQHNKUARTD-RYUDHWBXSA-N -1 1 344.377 3.685 20 0 EHADMM C=CCOc1ccc(/C=C/C(=O)Nc2c([O-])cccc2F)cc1OC ZINC000089541304 1016278205 /nfs/dbraw/zinc/27/82/05/1016278205.db2.gz RYZAPHONEOBPAG-CSKARUKUSA-N -1 1 343.354 3.757 20 0 EHADMM CO[C@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC001599054039 999215951 /nfs/dbraw/zinc/21/59/51/999215951.db2.gz PZQHOVZAYLNDBG-BXKDBHETSA-N -1 1 340.832 3.533 20 0 EHADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001594441860 999628208 /nfs/dbraw/zinc/62/82/08/999628208.db2.gz KZMWPFUZDZJUCG-RVDNPBGGSA-N -1 1 329.371 3.930 20 0 EHADMM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cc(F)ccc1[O-] ZINC000179784823 1016883510 /nfs/dbraw/zinc/88/35/10/1016883510.db2.gz YTBFTGVSRSFDNQ-UHFFFAOYSA-N -1 1 339.326 3.711 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OCc2ccccc2)nc1 ZINC000340332744 1016966415 /nfs/dbraw/zinc/96/64/15/1016966415.db2.gz ZXQDRWRHXVCHDN-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM CC(C)Oc1ccnc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000659793671 1017025193 /nfs/dbraw/zinc/02/51/93/1017025193.db2.gz KSECNQLMASWCBB-LPHOPBHVSA-N -1 1 346.471 3.724 20 0 EHADMM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(O)cc1[O-] ZINC000182251749 1017058853 /nfs/dbraw/zinc/05/88/53/1017058853.db2.gz YNONQSQQPKWKEN-UHFFFAOYSA-N -1 1 329.686 3.605 20 0 EHADMM COc1ccccc1[C@@H](C)CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000343774847 1032356104 /nfs/dbraw/zinc/35/61/04/1032356104.db2.gz CLFNSJFDIFEOKL-LBPRGKRZSA-N -1 1 341.436 3.701 20 0 EHADMM O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc2ccccc2c1[O-] ZINC000185276217 1032375390 /nfs/dbraw/zinc/37/53/90/1032375390.db2.gz IMWOEPQRASRIQN-KRWDZBQOSA-N -1 1 335.359 3.614 20 0 EHADMM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1sccc1Cl ZINC000528503596 1032408437 /nfs/dbraw/zinc/40/84/37/1032408437.db2.gz UKJBQQLNRSZSFD-ZDUSSCGKSA-N -1 1 342.873 3.616 20 0 EHADMM COc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c(Cl)c1OC ZINC000321255855 1032435521 /nfs/dbraw/zinc/43/55/21/1032435521.db2.gz XFSKLKYBCWACHI-CYBMUJFWSA-N -1 1 341.835 3.577 20 0 EHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000537196032 1032554052 /nfs/dbraw/zinc/55/40/52/1032554052.db2.gz NJOPHVFFSPMXOV-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613638497 1017346958 /nfs/dbraw/zinc/34/69/58/1017346958.db2.gz STYHMHYOFVHQTP-MFKMUULPSA-N -1 1 338.329 3.743 20 0 EHADMM Cc1nc(C(=O)Nc2cc(C)cc(Br)c2[O-])sc1C ZINC000683567685 1017405409 /nfs/dbraw/zinc/40/54/09/1017405409.db2.gz SDKQBJKZMSFDNN-UHFFFAOYSA-N -1 1 341.230 3.789 20 0 EHADMM Cc1nc(SCC(=O)Nc2ccccc2C(C)(C)C)[n-]c(=O)c1C ZINC000537414347 1032714626 /nfs/dbraw/zinc/71/46/26/1032714626.db2.gz JEFSGJPUERYWBR-UHFFFAOYSA-N -1 1 345.468 3.827 20 0 EHADMM COCc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460406858 1017721449 /nfs/dbraw/zinc/72/14/49/1017721449.db2.gz DHMXVJVSRZXMHE-UHFFFAOYSA-N -1 1 333.453 3.931 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC000460427482 1017802703 /nfs/dbraw/zinc/80/27/03/1017802703.db2.gz QIWVEJAVIQZGLR-UHFFFAOYSA-N -1 1 341.436 3.797 20 0 EHADMM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000579968570 1017839252 /nfs/dbraw/zinc/83/92/52/1017839252.db2.gz FVZKETCMWBVJRL-QGZVFWFLSA-N -1 1 335.350 3.669 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)[nH]n1 ZINC000471499277 1018326940 /nfs/dbraw/zinc/32/69/40/1018326940.db2.gz CRSYTWIDVPSNMG-LLVKDONJSA-N -1 1 325.409 3.562 20 0 EHADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000396788108 1032761378 /nfs/dbraw/zinc/76/13/78/1032761378.db2.gz YMOPFCFTMPBLIW-GFCCVEGCSA-N -1 1 326.234 3.805 20 0 EHADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccccc1Br ZINC001625893372 1018587048 /nfs/dbraw/zinc/58/70/48/1018587048.db2.gz IMKUHCLVJFXXRZ-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1cc(C2CC2)ccn1 ZINC000580140450 1018698506 /nfs/dbraw/zinc/69/85/06/1018698506.db2.gz ROIBBLCEZUFMFS-UHFFFAOYSA-N -1 1 340.807 3.693 20 0 EHADMM COCCCCS(=O)(=O)[N-]c1ccccc1Oc1ccc(C)cc1 ZINC000580254735 1018872938 /nfs/dbraw/zinc/87/29/38/1018872938.db2.gz BTIRIEJDVMGNKE-UHFFFAOYSA-N -1 1 349.452 3.956 20 0 EHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1 ZINC000580297692 1018942660 /nfs/dbraw/zinc/94/26/60/1018942660.db2.gz UAUIVUMZNLUYOH-ARJAWSKDSA-N -1 1 328.437 3.513 20 0 EHADMM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647816705 1019690724 /nfs/dbraw/zinc/69/07/24/1019690724.db2.gz RBJKRHRITSGKAA-LLVKDONJSA-N -1 1 341.333 3.650 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)[nH]nc1C1CC1 ZINC000760323456 1032857847 /nfs/dbraw/zinc/85/78/47/1032857847.db2.gz PKYHUPCPSSODTH-UHFFFAOYSA-N -1 1 333.457 3.630 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)c(C)c1 ZINC000055663399 1020125171 /nfs/dbraw/zinc/12/51/71/1020125171.db2.gz UTKCMUYZCLXZIY-UHFFFAOYSA-N -1 1 325.455 3.873 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc(Cl)c1O ZINC000345641178 1020410324 /nfs/dbraw/zinc/41/03/24/1020410324.db2.gz HWQFULIOTPFZTH-UHFFFAOYSA-N -1 1 345.786 3.881 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc3[nH]c(C)nc3c2)cc(Cl)c1[O-] ZINC000345641178 1020410329 /nfs/dbraw/zinc/41/03/29/1020410329.db2.gz HWQFULIOTPFZTH-UHFFFAOYSA-N -1 1 345.786 3.881 20 0 EHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000341037026 1020902071 /nfs/dbraw/zinc/90/20/71/1020902071.db2.gz GSPPIYRILWNABD-PLNGDYQASA-N -1 1 333.409 3.538 20 0 EHADMM C[C@H](C(=O)[O-])[C@H](NCc1cccc(OC2CC2)c1F)c1ccccc1 ZINC000656572497 1020942047 /nfs/dbraw/zinc/94/20/47/1020942047.db2.gz KZMFPBQQGNVYPB-DJJJIMSYSA-N -1 1 343.398 3.919 20 0 EHADMM Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cnn1CC(C)C ZINC000436765248 1021212989 /nfs/dbraw/zinc/21/29/89/1021212989.db2.gz WIPFZZSLNVLNRR-UHFFFAOYSA-N -1 1 341.333 3.824 20 0 EHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1c(F)cccc1Cl ZINC000581634819 1021213663 /nfs/dbraw/zinc/21/36/63/1021213663.db2.gz GQAJYMUAIPIJGB-ZETCQYMHSA-N -1 1 329.705 3.954 20 0 EHADMM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(O)cc1[O-] ZINC000436787553 1021231615 /nfs/dbraw/zinc/23/16/15/1021231615.db2.gz 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CSCc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000517566811 1022462397 /nfs/dbraw/zinc/46/23/97/1022462397.db2.gz QUICBXGPTIZJRM-UHFFFAOYSA-N -1 1 325.430 3.798 20 0 EHADMM CCc1nc(CNCc2ccc(C(C)(C)C)s2)ccc1C(=O)[O-] ZINC000426664192 1022633552 /nfs/dbraw/zinc/63/35/52/1022633552.db2.gz DCVDAJGEHFLPTO-UHFFFAOYSA-N -1 1 332.469 3.991 20 0 EHADMM COc1ccc(Cl)cc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111665937 1022698006 /nfs/dbraw/zinc/69/80/06/1022698006.db2.gz IWRFHHWHKOVLDK-UHFFFAOYSA-N -1 1 326.179 3.889 20 0 EHADMM CSc1nsc([N-]C(=O)c2ncsc2-c2ccccc2)n1 ZINC000438580291 1022813458 /nfs/dbraw/zinc/81/34/58/1022813458.db2.gz FWDQLOUMFHJMLG-UHFFFAOYSA-N -1 1 334.451 3.636 20 0 EHADMM CSCC[C@H](NCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000426678354 1022966737 /nfs/dbraw/zinc/96/67/37/1022966737.db2.gz PULIBVRLTCOLFY-HNNXBMFYSA-N -1 1 337.416 3.690 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438806424 1023018101 /nfs/dbraw/zinc/01/81/01/1023018101.db2.gz DMNHKFGYOVGWMZ-UHFFFAOYSA-N -1 1 331.437 3.889 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000426751931 1023023930 /nfs/dbraw/zinc/02/39/30/1023023930.db2.gz ZFLRVHIWEBUZPQ-AWEZNQCLSA-N -1 1 329.705 3.673 20 0 EHADMM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)ccc1SC ZINC000426776830 1023038102 /nfs/dbraw/zinc/03/81/02/1023038102.db2.gz HWGQFHBQTGQFOM-ZDUSSCGKSA-N -1 1 335.425 3.624 20 0 EHADMM CCc1ccc([C@@H](NCc2ccccc2Br)C(=O)[O-])cc1 ZINC000426793042 1023049449 /nfs/dbraw/zinc/04/94/49/1023049449.db2.gz LUGRCOJGIQGJSK-MRXNPFEDSA-N -1 1 348.240 3.927 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C(F)(F)F)c2)o1 ZINC000426791374 1023050269 /nfs/dbraw/zinc/05/02/69/1023050269.db2.gz IEAPLZMNYJWDJK-CYBMUJFWSA-N -1 1 327.302 3.912 20 0 EHADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(F)cc2Cl)c1 ZINC000426791991 1023050893 /nfs/dbraw/zinc/05/08/93/1023050893.db2.gz KQQIAPPBEVTNCM-INIZCTEOSA-N -1 1 337.778 3.793 20 0 EHADMM COc1ccc(OC)c(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000426801638 1023056136 /nfs/dbraw/zinc/05/61/36/1023056136.db2.gz VLMDPQPPAQFIDK-KRWDZBQOSA-N -1 1 349.814 3.581 20 0 EHADMM COc1cc(C)nc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c1 ZINC000426808379 1023060147 /nfs/dbraw/zinc/06/01/47/1023060147.db2.gz MEMVIBLIBUSHFS-IBGZPJMESA-N -1 1 342.439 3.828 20 0 EHADMM Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc([O-])c1Cl ZINC000350242720 1023158740 /nfs/dbraw/zinc/15/87/40/1023158740.db2.gz UUNDEKFXXBKDAM-UHFFFAOYSA-N -1 1 332.831 3.733 20 0 EHADMM Cc1cnc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c([O-])c1 ZINC000427178100 1023258729 /nfs/dbraw/zinc/25/87/29/1023258729.db2.gz KIQUZFSNKCCZPX-NRFANRHFSA-N -1 1 336.435 3.606 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(Cl)c1 ZINC000431150932 1023345665 /nfs/dbraw/zinc/34/56/65/1023345665.db2.gz QLQYSJPHVBRLNI-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000132557259 1023428050 /nfs/dbraw/zinc/42/80/50/1023428050.db2.gz HDLZCCJOEKOSRN-UHFFFAOYSA-N -1 1 328.393 3.561 20 0 EHADMM Cc1cc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)c(C)o1 ZINC000133312743 1023485141 /nfs/dbraw/zinc/48/51/41/1023485141.db2.gz DCPRCMJUCXXTAP-SECBINFHSA-N -1 1 338.201 3.856 20 0 EHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)c(Cl)c1OC ZINC000276969473 1023505505 /nfs/dbraw/zinc/50/55/05/1023505505.db2.gz GUFBPZCPPWYTKR-MRXNPFEDSA-N -1 1 349.814 3.581 20 0 EHADMM O=C(Nc1cnc(-c2ccccc2)s1)c1csc(=NC2CC2)[n-]1 ZINC000535789282 1023635776 /nfs/dbraw/zinc/63/57/76/1023635776.db2.gz ITSYHHJYZSVASA-UHFFFAOYSA-N -1 1 342.449 3.515 20 0 EHADMM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1ncccc1[O-] ZINC000427171489 1023816807 /nfs/dbraw/zinc/81/68/07/1023816807.db2.gz NBJPPCGMRKKIDB-SECBINFHSA-N -1 1 337.206 3.854 20 0 EHADMM C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000096743649 1023875713 /nfs/dbraw/zinc/87/57/13/1023875713.db2.gz QFJYWBWHSJAWOR-GFCCVEGCSA-N -1 1 341.835 3.951 20 0 EHADMM C[C@@H](CN(C)C(=O)c1cc2ccccc2cc1[O-])C(=O)OC(C)(C)C ZINC000458348558 1024002710 /nfs/dbraw/zinc/00/27/10/1024002710.db2.gz IGXQHBKGHNXOJW-ZDUSSCGKSA-N -1 1 343.423 3.595 20 0 EHADMM Cc1c(C(=O)Nc2c([O-])cccc2F)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000608367400 1024022655 /nfs/dbraw/zinc/02/26/55/1024022655.db2.gz YILMTHSCUKDZLR-UHFFFAOYSA-N -1 1 330.359 3.575 20 0 EHADMM CC[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000417572178 1024084794 /nfs/dbraw/zinc/08/47/94/1024084794.db2.gz GKGTYYVQNKPXGL-ZDUSSCGKSA-N -1 1 338.201 3.662 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCn2cccc2[C@H]1c1ccccc1 ZINC000094036719 1024166577 /nfs/dbraw/zinc/16/65/77/1024166577.db2.gz BHGZELLLPFEOSR-LJQANCHMSA-N -1 1 336.366 3.578 20 0 EHADMM CC1(C)CCC[C@@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000389041869 1024196658 /nfs/dbraw/zinc/19/66/58/1024196658.db2.gz BBBGHLVTPHIHBG-LLVKDONJSA-N -1 1 326.234 3.711 20 0 EHADMM O=C(C(=O)N(Cc1ccoc1)C1CCCCC1)c1ccc([O-])cc1 ZINC000280906766 1024419877 /nfs/dbraw/zinc/41/98/77/1024419877.db2.gz IBARAAJCSPJOIP-UHFFFAOYSA-N -1 1 327.380 3.529 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3CCc4ccc(O)cc43)nc2)[n-]c(=O)c1C ZINC000664452389 1024454217 /nfs/dbraw/zinc/45/42/17/1024454217.db2.gz SIYLPJYWIJKOSB-QGZVFWFLSA-N -1 1 348.406 3.666 20 0 EHADMM O=C(Nc1ccnc(OCc2ccccc2)c1)c1ccc([O-])c(F)c1 ZINC001143429023 1024560302 /nfs/dbraw/zinc/56/03/02/1024560302.db2.gz UIRPWSWWDLHQFU-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM C[C@H](N=c1ccc(N2CCC(F)(F)[C@H](C)C2)n[n-]1)c1ccccc1 ZINC000425271140 1024604348 /nfs/dbraw/zinc/60/43/48/1024604348.db2.gz UZBJJQHLSHPTPM-KGLIPLIRSA-N -1 1 332.398 3.553 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1[C@H]1CCCOC1 ZINC000563187124 1024614153 /nfs/dbraw/zinc/61/41/53/1024614153.db2.gz SBKWTSQVLMZOLA-WMZOPIPTSA-N -1 1 325.408 3.577 20 0 EHADMM COc1cc(C(=O)N(C)Cc2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000349671316 1024704866 /nfs/dbraw/zinc/70/48/66/1024704866.db2.gz UIPZIFKBSYZRKV-UHFFFAOYSA-N -1 1 341.741 3.605 20 0 EHADMM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000508023271 1024852728 /nfs/dbraw/zinc/85/27/28/1024852728.db2.gz MIORMSNWTTULHU-UHFFFAOYSA-N -1 1 339.407 3.529 20 0 EHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c(C)c1C ZINC000474415148 1024919014 /nfs/dbraw/zinc/91/90/14/1024919014.db2.gz MEPPSYZCRWWAHF-UHFFFAOYSA-N -1 1 333.457 3.630 20 0 EHADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000428043513 1024954980 /nfs/dbraw/zinc/95/49/80/1024954980.db2.gz HDRFVCCHKQSJQX-KAMYIIQDSA-N -1 1 347.418 3.819 20 0 EHADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000428043513 1024954992 /nfs/dbraw/zinc/95/49/92/1024954992.db2.gz HDRFVCCHKQSJQX-KAMYIIQDSA-N -1 1 347.418 3.819 20 0 EHADMM CCCc1cc(=O)[n-]c(SCc2ncccc2C(F)(F)F)n1 ZINC000428053195 1024961600 /nfs/dbraw/zinc/96/16/00/1024961600.db2.gz KMFPQVQWTOZXEQ-UHFFFAOYSA-N -1 1 329.347 3.841 20 0 EHADMM C[C@]([N-]S(=O)(=O)c1csc2ccccc21)(C1CC1)C(F)(F)F ZINC000508214731 1024964517 /nfs/dbraw/zinc/96/45/17/1024964517.db2.gz MPINWTYUBHWYGC-ZDUSSCGKSA-N -1 1 349.399 3.911 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000895951260 1025007587 /nfs/dbraw/zinc/00/75/87/1025007587.db2.gz MVOPRHPUVFVEJD-KKNUOHPOSA-N -1 1 337.419 3.902 20 0 EHADMM Cc1nc(S[C@H](C)c2nnc(-c3cccs3)o2)[n-]c(=O)c1C ZINC000346720618 1025058980 /nfs/dbraw/zinc/05/89/80/1025058980.db2.gz FMUPUDANQSKLLM-SECBINFHSA-N -1 1 334.426 3.764 20 0 EHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCS[C@H]2CCCC[C@@H]21 ZINC000896892778 1025162668 /nfs/dbraw/zinc/16/26/68/1025162668.db2.gz DPJYRTHHMOJBRR-IRXDYDNUSA-N -1 1 343.448 3.751 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1Cl ZINC000761281387 1033263214 /nfs/dbraw/zinc/26/32/14/1033263214.db2.gz RMFDQHUCKFRPLI-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM CCCc1cc(=O)[n-]c(SCCCOc2ccc(C#N)cc2)n1 ZINC000320244505 1025166427 /nfs/dbraw/zinc/16/64/27/1025166427.db2.gz ZCZYSZPVBBBVPA-UHFFFAOYSA-N -1 1 329.425 3.568 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1cc(F)cc(F)c1 ZINC000442239983 1025221773 /nfs/dbraw/zinc/22/17/73/1025221773.db2.gz VPXUSPDFAWHAMZ-UHFFFAOYSA-N -1 1 339.697 3.697 20 0 EHADMM C[C@@H](c1ccccc1)n1cnnc1SCC(=O)c1ccc([O-])cc1 ZINC000521183818 1025257254 /nfs/dbraw/zinc/25/72/54/1025257254.db2.gz MEJMTWCREKYTFE-ZDUSSCGKSA-N -1 1 339.420 3.568 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2sccc2Br)n1 ZINC000436184548 1025435206 /nfs/dbraw/zinc/43/52/06/1025435206.db2.gz DJCCTDUZKLTPCY-UHFFFAOYSA-N -1 1 331.260 3.861 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC000515651519 1025453540 /nfs/dbraw/zinc/45/35/40/1025453540.db2.gz UIUBPYVEXIMQIZ-UHFFFAOYSA-N -1 1 340.832 3.631 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(CC(C)C)cc2)n1 ZINC000436237195 1025504139 /nfs/dbraw/zinc/50/41/39/1025504139.db2.gz ALBANHVKQDUOFX-UHFFFAOYSA-N -1 1 330.453 3.918 20 0 EHADMM CCOc1ccc(C(C)=O)cc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436253029 1025514037 /nfs/dbraw/zinc/51/40/37/1025514037.db2.gz NULKUQZBNVRHAJ-UHFFFAOYSA-N -1 1 344.436 3.953 20 0 EHADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4ccoc4c3)ccc2O1 ZINC000442844631 1025518416 /nfs/dbraw/zinc/51/84/16/1025518416.db2.gz GRKFKLKLSQOGJS-LLVKDONJSA-N -1 1 329.377 3.557 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)c(C)c1 ZINC000451084105 1025523833 /nfs/dbraw/zinc/52/38/33/1025523833.db2.gz JEQSBKCQSROKSP-UHFFFAOYSA-N -1 1 341.379 3.916 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3cc4ccccc4n3C)[nH][n-]2)s1 ZINC000522812725 1025585638 /nfs/dbraw/zinc/58/56/38/1025585638.db2.gz GPFJXDDVMDNZRP-UHFFFAOYSA-N -1 1 336.420 3.613 20 0 EHADMM COc1cc(C(=O)N2C[C@H](C)Cc3ccccc32)cc(Cl)c1[O-] ZINC000442956681 1025609348 /nfs/dbraw/zinc/60/93/48/1025609348.db2.gz PXYYFZNPFBUZNT-LLVKDONJSA-N -1 1 331.799 3.893 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(Br)s1 ZINC000442973580 1025632760 /nfs/dbraw/zinc/63/27/60/1025632760.db2.gz OXUWPWMPLNXKEO-SSDOTTSWSA-N -1 1 344.205 3.846 20 0 EHADMM COc1cc(C(=O)NC(C)(C)c2cccs2)cc(Cl)c1[O-] ZINC000442984470 1025645960 /nfs/dbraw/zinc/64/59/60/1025645960.db2.gz SXWFEGGOFLNGOQ-UHFFFAOYSA-N -1 1 325.817 3.781 20 0 EHADMM O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc2ccccc2c1[O-] ZINC000436495120 1025779378 /nfs/dbraw/zinc/77/93/78/1025779378.db2.gz NNLYTRUICQOORB-UHFFFAOYSA-N -1 1 332.359 3.534 20 0 EHADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000436485567 1025789695 /nfs/dbraw/zinc/78/96/95/1025789695.db2.gz IICRUHNJJTVNAE-KDOFPFPSSA-N -1 1 345.826 3.943 20 0 EHADMM CCOc1cc(-c2nc(CCc3ccco3)no2)cc(Cl)c1[O-] ZINC000443200452 1025805312 /nfs/dbraw/zinc/80/53/12/1025805312.db2.gz TWNUGKLPKQPGCU-UHFFFAOYSA-N -1 1 334.759 3.873 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(C)c(F)ccc2Cl)c1 ZINC000436502306 1025819042 /nfs/dbraw/zinc/81/90/42/1025819042.db2.gz CBJLWPNXJHPNIO-UHFFFAOYSA-N -1 1 337.734 3.532 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cccc(C(F)(F)F)c1 ZINC000515986659 1025839696 /nfs/dbraw/zinc/83/96/96/1025839696.db2.gz YYZAKTDAMTYBGK-UHFFFAOYSA-N -1 1 337.326 3.831 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 ZINC000436517174 1025847196 /nfs/dbraw/zinc/84/71/96/1025847196.db2.gz YKBGMHWGLQXKIG-LBPRGKRZSA-N -1 1 345.420 3.607 20 0 EHADMM CCOc1ccc(CN(C(=O)c2cc(F)ccc2[O-])C(C)C)cc1 ZINC000436540173 1025872281 /nfs/dbraw/zinc/87/22/81/1025872281.db2.gz OFMYSYKGXICLLM-UHFFFAOYSA-N -1 1 331.387 3.981 20 0 EHADMM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000436544400 1025877421 /nfs/dbraw/zinc/87/74/21/1025877421.db2.gz OREJRYFOPKZOJR-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c([O-])c1 ZINC000436567461 1025898231 /nfs/dbraw/zinc/89/82/31/1025898231.db2.gz OFTBJSYWRLRTLS-UHFFFAOYSA-N -1 1 349.390 3.716 20 0 EHADMM CN(C(=O)c1cc(F)ccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000436570216 1025903516 /nfs/dbraw/zinc/90/35/16/1025903516.db2.gz NUIJJZBUFKVIPF-UHFFFAOYSA-N -1 1 329.249 3.707 20 0 EHADMM COCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H]1CC[C@@H](C)C1 ZINC000436595025 1025910218 /nfs/dbraw/zinc/91/02/18/1025910218.db2.gz KTFIILLTUZJBBQ-YPMHNXCESA-N -1 1 345.361 3.688 20 0 EHADMM O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000436595406 1025914505 /nfs/dbraw/zinc/91/45/05/1025914505.db2.gz MDRNKNUSNUCUBT-MAUKXSAKSA-N -1 1 327.424 3.607 20 0 EHADMM COCCN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000436597871 1025917204 /nfs/dbraw/zinc/91/72/04/1025917204.db2.gz XGRPPFLARBQALG-GDBMZVCRSA-N -1 1 327.424 3.823 20 0 EHADMM O=C(C(=O)N1CC=C(c2cccc(Cl)c2)CC1)c1ccc([O-])cc1 ZINC000436635442 1025964452 /nfs/dbraw/zinc/96/44/52/1025964452.db2.gz NJZHIMAPPOCIEZ-UHFFFAOYSA-N -1 1 341.794 3.544 20 0 EHADMM CN(c1ccccc1NC(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC000436636729 1025966877 /nfs/dbraw/zinc/96/68/77/1025966877.db2.gz SCVTTYWDFGMECP-UHFFFAOYSA-N -1 1 326.396 3.729 20 0 EHADMM CCC(=O)c1ccc([O-])c(NC(=O)c2c[nH]nc2-c2ccsc2)c1 ZINC000436653545 1025982470 /nfs/dbraw/zinc/98/24/70/1025982470.db2.gz AUPVZNPKXNMHDO-UHFFFAOYSA-N -1 1 341.392 3.689 20 0 EHADMM C[C@@H](OCCCNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000436656041 1025984703 /nfs/dbraw/zinc/98/47/03/1025984703.db2.gz FMWKJVXOESRHAP-CYBMUJFWSA-N -1 1 333.815 3.943 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c1 ZINC000443407988 1025989279 /nfs/dbraw/zinc/98/92/79/1025989279.db2.gz RNRFJSWVKQVVFO-UHFFFAOYSA-N -1 1 341.379 3.998 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)c1 ZINC000443402722 1025997737 /nfs/dbraw/zinc/99/77/37/1025997737.db2.gz ICUFTDGBDYFTAA-CYBMUJFWSA-N -1 1 335.425 3.594 20 0 EHADMM O=C(NC1(c2ccc(Cl)cc2)CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436668164 1026007698 /nfs/dbraw/zinc/00/76/98/1026007698.db2.gz XBRSWIDNVSBOOW-UHFFFAOYSA-N -1 1 343.810 3.814 20 0 EHADMM Cc1ccnc([C@H](NC(=O)c2cc3ccccc3cc2[O-])C2CC2)n1 ZINC000436679060 1026028503 /nfs/dbraw/zinc/02/85/03/1026028503.db2.gz JGFAZDITHJGLPU-GOSISDBHSA-N -1 1 333.391 3.525 20 0 EHADMM Cc1cccc([C@H]2CCCCN2C(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436678561 1026029052 /nfs/dbraw/zinc/02/90/52/1026029052.db2.gz CIBYXFUIHLIHAM-LJQANCHMSA-N -1 1 337.419 3.946 20 0 EHADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000436681865 1026033961 /nfs/dbraw/zinc/03/39/61/1026033961.db2.gz OVZORSQXPMYXSU-ZDUSSCGKSA-N -1 1 337.375 3.931 20 0 EHADMM CC(C)(O)CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436692207 1026052151 /nfs/dbraw/zinc/05/21/51/1026052151.db2.gz WZCCRKWZYFCSAH-UHFFFAOYSA-N -1 1 349.430 3.959 20 0 EHADMM CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)CCC2 ZINC000436703208 1026068833 /nfs/dbraw/zinc/06/88/33/1026068833.db2.gz DIDVTGYQOCUQJS-LJQANCHMSA-N -1 1 337.419 3.892 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc([O-])cc1F)[C@@H]2C ZINC000436714956 1026080662 /nfs/dbraw/zinc/08/06/62/1026080662.db2.gz NRLKODAQOKYVQK-NWDGAFQWSA-N -1 1 329.371 3.688 20 0 EHADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1-c1ccccc1 ZINC000436739471 1026106362 /nfs/dbraw/zinc/10/63/62/1026106362.db2.gz NWJKSDFLRBEQKM-UHFFFAOYSA-N -1 1 327.771 3.792 20 0 EHADMM O=C(Nc1ccccc1N1CCCC1=O)c1ccc2ccccc2c1[O-] ZINC000436758948 1026127245 /nfs/dbraw/zinc/12/72/45/1026127245.db2.gz PCLLVSOQUQVGNT-UHFFFAOYSA-N -1 1 346.386 3.925 20 0 EHADMM CCC[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436750998 1026139975 /nfs/dbraw/zinc/13/99/75/1026139975.db2.gz QGTQGZBXADRMNK-LLVKDONJSA-N -1 1 326.234 3.807 20 0 EHADMM CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC3(C(=O)[O-])CCC3)c2C1 ZINC000634821227 1026202588 /nfs/dbraw/zinc/20/25/88/1026202588.db2.gz RAKVWWKPTADRTA-UHFFFAOYSA-N -1 1 344.455 3.632 20 0 EHADMM CC(C)CCN1Cc2cccc(NC(=O)CC3(C(=O)[O-])CCC3)c2C1 ZINC000634821227 1026202601 /nfs/dbraw/zinc/20/26/01/1026202601.db2.gz RAKVWWKPTADRTA-UHFFFAOYSA-N -1 1 344.455 3.632 20 0 EHADMM CCOc1cccc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684871610 1026252051 /nfs/dbraw/zinc/25/20/51/1026252051.db2.gz OHQUBAHJJXZMPM-UHFFFAOYSA-N -1 1 339.313 3.740 20 0 EHADMM CS[C@@H]1CCCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897089856 1026307685 /nfs/dbraw/zinc/30/76/85/1026307685.db2.gz BIJSWIILVVLFSY-CQSZACIVSA-N -1 1 331.437 3.609 20 0 EHADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000342578768 1026338871 /nfs/dbraw/zinc/33/88/71/1026338871.db2.gz YWBUFDAMSJLCGY-UHFFFAOYSA-N -1 1 337.351 3.610 20 0 EHADMM Cc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)c1C ZINC000030593538 1026342726 /nfs/dbraw/zinc/34/27/26/1026342726.db2.gz BUHSTFQRCVVWNF-UHFFFAOYSA-N -1 1 344.842 3.625 20 0 EHADMM [O-]c1ccc(Cc2nc([C@@H]3CCOC4(CCC4)C3)no2)cc1Cl ZINC000897117927 1026370687 /nfs/dbraw/zinc/37/06/87/1026370687.db2.gz NVJKYWKJTGUZGZ-GFCCVEGCSA-N -1 1 334.803 3.836 20 0 EHADMM CC(C)OC1CCC(NC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000897172069 1026444235 /nfs/dbraw/zinc/44/42/35/1026444235.db2.gz VKEISKHQPUJBKA-UHFFFAOYSA-N -1 1 343.423 3.717 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1 ZINC000614829081 1027615495 /nfs/dbraw/zinc/61/54/95/1027615495.db2.gz FTXAGUQKAGXLEY-UHFFFAOYSA-N -1 1 329.780 3.679 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1F ZINC000323178701 1027979166 /nfs/dbraw/zinc/97/91/66/1027979166.db2.gz 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ZINC000541025861 1035910455 /nfs/dbraw/zinc/91/04/55/1035910455.db2.gz DBCIJPUHOFXKRO-ZFWWWQNUSA-N -1 1 347.484 3.648 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000588833508 1036132732 /nfs/dbraw/zinc/13/27/32/1036132732.db2.gz NPFZMGPINSVUMR-UHFFFAOYSA-N -1 1 334.828 3.941 20 0 EHADMM CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263122943 1036206824 /nfs/dbraw/zinc/20/68/24/1036206824.db2.gz MFPWKJPEPXRSRE-JKSUJKDBSA-N -1 1 346.471 3.715 20 0 EHADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1 ZINC000589426516 1036406723 /nfs/dbraw/zinc/40/67/23/1036406723.db2.gz BTMLRIGPTDTILX-UHFFFAOYSA-N -1 1 333.453 3.976 20 0 EHADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1-c1ccccc1 ZINC000535395512 1036435128 /nfs/dbraw/zinc/43/51/28/1036435128.db2.gz YCTYIFXNXBINLH-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926233 1036626360 /nfs/dbraw/zinc/62/63/60/1036626360.db2.gz JLPPPDALKGFKLI-QGZVFWFLSA-N -1 1 332.350 3.893 20 0 EHADMM Cc1cccc(CC2CN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)c1 ZINC001167702227 1037112800 /nfs/dbraw/zinc/11/28/00/1037112800.db2.gz MQCQGUWESIDZHQ-UHFFFAOYSA-N -1 1 329.827 3.598 20 0 EHADMM O=c1cc(C(F)(F)F)nc(SCc2nc(C3CC3)cs2)[n-]1 ZINC000542216339 1037175677 /nfs/dbraw/zinc/17/56/77/1037175677.db2.gz OSIITOICPSVCJE-UHFFFAOYSA-N -1 1 333.360 3.827 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000493312366 1037247962 /nfs/dbraw/zinc/24/79/62/1037247962.db2.gz XOFJSCQBKWKMIR-UHFFFAOYSA-N -1 1 347.871 3.598 20 0 EHADMM O=C([N-]NC(=S)Nc1ccccc1)c1c(Cl)cccc1Cl ZINC000057970876 1037307194 /nfs/dbraw/zinc/30/71/94/1037307194.db2.gz XUUNKTHIULXQDQ-UHFFFAOYSA-N -1 1 340.235 3.625 20 0 EHADMM Cc1nc(-c2ccc(NCC[C@H]3CCC[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000462836667 1037461525 /nfs/dbraw/zinc/46/15/25/1037461525.db2.gz FTLAITAKBHKEFD-XJKSGUPXSA-N -1 1 340.471 3.911 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1 ZINC000031776699 1037789822 /nfs/dbraw/zinc/78/98/22/1037789822.db2.gz SVKAOMQHIBZBPY-UHFFFAOYSA-N -1 1 339.420 3.561 20 0 EHADMM COc1ccccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182929512 1037922456 /nfs/dbraw/zinc/92/24/56/1037922456.db2.gz MBMWRFUEGXENKV-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM C[C@@H]1CCN(Cc2ccc(Cl)cc2Br)[C@H](C(=O)[O-])C1 ZINC000573977270 1037961164 /nfs/dbraw/zinc/96/11/64/1037961164.db2.gz QWYSNXLXKHQIPB-RNCFNFMXSA-N -1 1 346.652 3.788 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2csc3ccccc23)[n-]c1=O ZINC000188021931 1037988871 /nfs/dbraw/zinc/98/88/71/1037988871.db2.gz YLLNQRABPIRSRT-DHZHZOJOSA-N -1 1 340.404 3.722 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000225887896 1038080783 /nfs/dbraw/zinc/08/07/83/1038080783.db2.gz MMTCWTMKSOQWJZ-UHFFFAOYSA-N -1 1 327.123 3.860 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000188139088 1038108712 /nfs/dbraw/zinc/10/87/12/1038108712.db2.gz WPSUQNMYQYFICN-UHFFFAOYSA-N -1 1 344.480 3.774 20 0 EHADMM CC(C)CC[C@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042999081 1038276055 /nfs/dbraw/zinc/27/60/55/1038276055.db2.gz XMCWXTIYJCOMKA-HNNXBMFYSA-N -1 1 346.471 3.821 20 0 EHADMM Cc1nc2ccccc2cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339131626 1038416415 /nfs/dbraw/zinc/41/64/15/1038416415.db2.gz FCPWXVNNTGMFSZ-UHFFFAOYSA-N -1 1 344.374 3.891 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416261463 1038444230 /nfs/dbraw/zinc/44/42/30/1038444230.db2.gz UUQVWHQMZNOZOP-AWEZNQCLSA-N -1 1 335.325 3.657 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)ccc2F)[n-]c1=O ZINC000432700122 1038811166 /nfs/dbraw/zinc/81/11/66/1038811166.db2.gz QQGSSLYPTAPKLM-TWGQIWQCSA-N -1 1 336.750 3.712 20 0 EHADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000485393987 1039025679 /nfs/dbraw/zinc/02/56/79/1039025679.db2.gz DYNCTUYXZNDBPE-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCC(C(=O)[O-])(C(F)(F)F)CC2)o1 ZINC000905740645 1039078260 /nfs/dbraw/zinc/07/82/60/1039078260.db2.gz VIHRDFUWNCPLRL-PWSUYJOCSA-N -1 1 331.334 3.632 20 0 EHADMM CC[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccc(F)cc1F ZINC000756506641 1039391034 /nfs/dbraw/zinc/39/10/34/1039391034.db2.gz WTEMAILQDCXBPS-NSHDSACASA-N -1 1 332.322 3.781 20 0 EHADMM Cc1cnc(C(=O)N2CCC(Cc3ccc(C)c(C)c3)CC2)c([O-])c1 ZINC000552610806 1039396573 /nfs/dbraw/zinc/39/65/73/1039396573.db2.gz ZHWQVTOFSNBYDS-UHFFFAOYSA-N -1 1 338.451 3.807 20 0 EHADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906589906 1039647210 /nfs/dbraw/zinc/64/72/10/1039647210.db2.gz ZRBVLDSPNDVYDY-OCCSQVGLSA-N -1 1 329.400 3.524 20 0 EHADMM CCOc1cc(C(=O)Nc2cnc(C)nc2C2CC2)cc(Cl)c1[O-] ZINC000549730018 1039733350 /nfs/dbraw/zinc/73/33/50/1039733350.db2.gz ZZPCREQPWWHQNI-UHFFFAOYSA-N -1 1 347.802 3.672 20 0 EHADMM Cc1cccc(CO[N-]C(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)n1 ZINC000898930838 1039734173 /nfs/dbraw/zinc/73/41/73/1039734173.db2.gz NWKLTBQHYLWBIF-OAHLLOKOSA-N -1 1 340.423 3.580 20 0 EHADMM CC(C)Sc1cccc(Cl)c1/C=C\c1cc(=O)n2[n-]cnc2n1 ZINC000486147293 1039920009 /nfs/dbraw/zinc/92/00/09/1039920009.db2.gz PQMCJNPQHJKKPE-SREVYHEPSA-N -1 1 346.843 3.742 20 0 EHADMM CC(C)(C)OC[C@H](NCc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000417599341 1040064043 /nfs/dbraw/zinc/06/40/43/1040064043.db2.gz OVLKZKOMRQUDEE-HNNXBMFYSA-N -1 1 333.453 3.773 20 0 EHADMM O=C([O-])[C@H]1C[C@H](NCc2cnc(C(F)(F)F)s2)c2ccccc21 ZINC000417625216 1040104611 /nfs/dbraw/zinc/10/46/11/1040104611.db2.gz LQRAOISLLHFCJU-RYUDHWBXSA-N -1 1 342.342 3.565 20 0 EHADMM C[C@@H](CC(=O)NCCc1n[n-]c(=S)n1C1CC1)C1CCCCC1 ZINC000067079139 1040121114 /nfs/dbraw/zinc/12/11/14/1040121114.db2.gz GRYMWFUBCRHKKL-LBPRGKRZSA-N -1 1 336.505 3.541 20 0 EHADMM COc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)c(Cl)c1OC ZINC000417671419 1040150074 /nfs/dbraw/zinc/15/00/74/1040150074.db2.gz QGKQWAGOODRDMP-UHFFFAOYSA-N -1 1 349.814 3.654 20 0 EHADMM Cc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1Cl ZINC000417709720 1040182957 /nfs/dbraw/zinc/18/29/57/1040182957.db2.gz UANWDBXHMWRVSK-UHFFFAOYSA-N -1 1 330.815 3.909 20 0 EHADMM O=S(=O)([N-]CC[C@H]1CCC(F)(F)C1)c1cc2ccccc2o1 ZINC000908064603 1040283717 /nfs/dbraw/zinc/28/37/17/1040283717.db2.gz FJSIOAJMCCSTJW-LLVKDONJSA-N -1 1 329.368 3.537 20 0 EHADMM COc1cc(C(=O)N(C)Cc2ccc(F)cc2C)cc(Cl)c1[O-] ZINC000490343817 1040503144 /nfs/dbraw/zinc/50/31/44/1040503144.db2.gz NLOJFGREWZBVQB-UHFFFAOYSA-N -1 1 337.778 3.774 20 0 EHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000390389215 1040511091 /nfs/dbraw/zinc/51/10/91/1040511091.db2.gz FQMSKSCGECCKMI-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908714494 1040609833 /nfs/dbraw/zinc/60/98/33/1040609833.db2.gz BNDFHHXOWKZIJQ-ZETCQYMHSA-N -1 1 339.189 3.502 20 0 EHADMM CC1(C)CO[C@H](CCC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908717906 1040612560 /nfs/dbraw/zinc/61/25/60/1040612560.db2.gz PJCUHWUVKMBNGL-SNVBAGLBSA-N -1 1 342.233 3.689 20 0 EHADMM CC(C)[C@@H]1C[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)c2ccccc21 ZINC000913153126 1040613267 /nfs/dbraw/zinc/61/32/67/1040613267.db2.gz YJKICWUHAVLQLO-RDJZCZTQSA-N -1 1 337.423 3.674 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)c([O-])c1 ZINC000913235618 1040670113 /nfs/dbraw/zinc/67/01/13/1040670113.db2.gz WHUIJIPWSLLSLA-QGZVFWFLSA-N -1 1 338.407 3.719 20 0 EHADMM Cc1ccc2[nH]c(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)cc2c1 ZINC000027701203 1040936811 /nfs/dbraw/zinc/93/68/11/1040936811.db2.gz MIZCKVAWANRCRC-UHFFFAOYSA-N -1 1 349.342 3.645 20 0 EHADMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429896469 1041123540 /nfs/dbraw/zinc/12/35/40/1041123540.db2.gz QOSRQCAKKDRYAR-LURJTMIESA-N -1 1 336.162 3.613 20 0 EHADMM O=C(/C=C/C1CCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000843819357 1041140689 /nfs/dbraw/zinc/14/06/89/1041140689.db2.gz AQBDRFBJUQECOC-BJMVGYQFSA-N -1 1 327.424 3.560 20 0 EHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000511728656 1041482883 /nfs/dbraw/zinc/48/28/83/1041482883.db2.gz ZPUISOVBULNEPP-AWEZNQCLSA-N -1 1 349.452 3.982 20 0 EHADMM CC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000652396210 1042445313 /nfs/dbraw/zinc/44/53/13/1042445313.db2.gz DLEJILOUFCLHRL-QMTHXVAHSA-N -1 1 344.224 3.836 20 0 EHADMM Cc1nc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000652497294 1042512615 /nfs/dbraw/zinc/51/26/15/1042512615.db2.gz RDPOIKPZLISXTR-IAQYHMDHSA-N -1 1 348.830 3.846 20 0 EHADMM Cc1nc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000652497294 1042512620 /nfs/dbraw/zinc/51/26/20/1042512620.db2.gz RDPOIKPZLISXTR-IAQYHMDHSA-N -1 1 348.830 3.846 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000006315761 1043172495 /nfs/dbraw/zinc/17/24/95/1043172495.db2.gz RJUOGVJXFWFLFZ-UHFFFAOYSA-N -1 1 340.788 3.666 20 0 EHADMM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccoc1 ZINC000351307241 1043333085 /nfs/dbraw/zinc/33/30/85/1043333085.db2.gz SLIRUXMTHDGFDK-NSHDSACASA-N -1 1 339.722 3.515 20 0 EHADMM CCc1ccccc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000187115369 1043829754 /nfs/dbraw/zinc/82/97/54/1043829754.db2.gz BTDXFCJPKAOBLL-UHFFFAOYSA-N -1 1 330.453 3.919 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2cc3nccnc3cc2F)s1 ZINC000279673751 1044393679 /nfs/dbraw/zinc/39/36/79/1044393679.db2.gz FUWUJLUKLOALHS-UHFFFAOYSA-N -1 1 345.403 3.776 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1Cl ZINC000432649738 1044624349 /nfs/dbraw/zinc/62/43/49/1044624349.db2.gz UQRXBSPMZCHACI-UHFFFAOYSA-N -1 1 332.208 3.803 20 0 EHADMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)nc2C)cc1 ZINC000183496230 1125581697 /nfs/dbraw/zinc/58/16/97/1125581697.db2.gz QHTSZVMYYQYMFL-BZNIZROVSA-N -1 1 339.395 3.766 20 0 EHADMM O=C(NCCOc1ccc(Cl)c(Cl)c1)c1c([O-])cccc1F ZINC000622634048 1126734701 /nfs/dbraw/zinc/73/47/01/1126734701.db2.gz WOHGDASZHFUNIE-UHFFFAOYSA-N -1 1 344.169 3.647 20 0 EHADMM CC(C)(CNC(=O)c1cc2ccccc2cc1[O-])C1(O)CCCC1 ZINC000622668115 1126744284 /nfs/dbraw/zinc/74/42/84/1126744284.db2.gz FKWRJGDPXABBTJ-UHFFFAOYSA-N -1 1 327.424 3.607 20 0 EHADMM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1ccccc1[O-] ZINC000622729016 1126753327 /nfs/dbraw/zinc/75/33/27/1126753327.db2.gz PRRDBSNUULKRRS-HNNXBMFYSA-N -1 1 325.408 3.876 20 0 EHADMM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1ccccc1[O-] ZINC000622729017 1126753604 /nfs/dbraw/zinc/75/36/04/1126753604.db2.gz PRRDBSNUULKRRS-OAHLLOKOSA-N -1 1 325.408 3.876 20 0 EHADMM O=c1cc(CSc2ccc([N+](=O)[O-])cc2F)c2ccc([O-])cc2o1 ZINC000185157246 1126791768 /nfs/dbraw/zinc/79/17/68/1126791768.db2.gz RAMQQVYLDHKLAD-UHFFFAOYSA-N -1 1 347.323 3.838 20 0 EHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000181726295 1127292105 /nfs/dbraw/zinc/29/21/05/1127292105.db2.gz CBJMSYRRWXDADQ-UHFFFAOYSA-N -1 1 345.342 3.579 20 0 EHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000184029602 1127392622 /nfs/dbraw/zinc/39/26/22/1127392622.db2.gz PCYJNWFVTSUXGS-UHFFFAOYSA-N -1 1 325.430 3.798 20 0 EHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000184033231 1127392753 /nfs/dbraw/zinc/39/27/53/1127392753.db2.gz SGAWTYFSCABMJL-UHFFFAOYSA-N -1 1 333.478 3.839 20 0 EHADMM CCOc1cc(C(=O)N(C)Cc2ccccc2F)cc(Cl)c1[O-] ZINC000193039720 1127432679 /nfs/dbraw/zinc/43/26/79/1127432679.db2.gz YPIQDAPEMLIPHP-UHFFFAOYSA-N -1 1 337.778 3.856 20 0 EHADMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1cccc(F)c1 ZINC000024429515 1127706020 /nfs/dbraw/zinc/70/60/20/1127706020.db2.gz AZTFGCXGADAUSG-UHFFFAOYSA-N -1 1 335.278 3.525 20 0 EHADMM C[C@@H]1Oc2ccc(NC(=O)c3cc4ccccc4cc3[O-])cc2NC1=O ZINC000029770563 1127807455 /nfs/dbraw/zinc/80/74/55/1127807455.db2.gz GLFMNZIRLCQIHK-NSHDSACASA-N -1 1 348.358 3.517 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1cc2c(s1)CCCC2 ZINC001626053651 1127905429 /nfs/dbraw/zinc/90/54/29/1127905429.db2.gz DPPIZGKRILORHT-UHFFFAOYSA-N -1 1 335.856 3.845 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1 ZINC000057119316 1128037072 /nfs/dbraw/zinc/03/70/72/1128037072.db2.gz BSMBIJCACUSESC-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM CCc1ocnc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000347536728 1128055008 /nfs/dbraw/zinc/05/50/08/1128055008.db2.gz QVQAOTSLXDOJJS-UHFFFAOYSA-N -1 1 340.364 3.754 20 0 EHADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000068074849 1128258385 /nfs/dbraw/zinc/25/83/85/1128258385.db2.gz IFWAQVWMVVELCQ-UHFFFAOYSA-N -1 1 343.326 3.536 20 0 EHADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068076277 1128259030 /nfs/dbraw/zinc/25/90/30/1128259030.db2.gz QWRANOOZRBITIO-CYBMUJFWSA-N -1 1 347.436 3.695 20 0 EHADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)CC2CCCC2)CC1 ZINC000068435749 1128266753 /nfs/dbraw/zinc/26/67/53/1128266753.db2.gz GYOWECKYRLLGBU-UHFFFAOYSA-N -1 1 336.505 3.808 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000055546909 1128522330 /nfs/dbraw/zinc/52/23/30/1128522330.db2.gz CUNHSAYLCJNUKV-UHFFFAOYSA-N -1 1 335.425 3.592 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1Cl ZINC000055558224 1128523082 /nfs/dbraw/zinc/52/30/82/1128523082.db2.gz UTLHPMRSHDGMKT-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000109245345 1128722726 /nfs/dbraw/zinc/72/27/26/1128722726.db2.gz WKLGVMBHALWXKC-UHFFFAOYSA-N -1 1 335.450 3.553 20 0 EHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC2(CCCCC2)O1 ZINC000656192486 1128805309 /nfs/dbraw/zinc/80/53/09/1128805309.db2.gz WSXJNJPPERAKJA-CJNGLKHVSA-N -1 1 337.847 3.889 20 0 EHADMM O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(F)c1[O-] ZINC001648846905 1120053785 /nfs/dbraw/zinc/05/37/85/1120053785.db2.gz IPTJSNYJDHMPJF-UHFFFAOYSA-N -1 1 326.327 3.758 20 0 EHADMM C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000110066041 1120133886 /nfs/dbraw/zinc/13/38/86/1120133886.db2.gz UBIDZEWMUPCWEI-NSHDSACASA-N -1 1 343.370 3.576 20 0 EHADMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1F)c1ccccc1F ZINC000107515182 1120162310 /nfs/dbraw/zinc/16/23/10/1120162310.db2.gz VUQSZHUMOANECJ-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM Cc1ccccc1[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000110325174 1120333443 /nfs/dbraw/zinc/33/34/43/1120333443.db2.gz DHAQHPYMJVKTSV-LLVKDONJSA-N -1 1 334.213 3.954 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000187299003 1120493695 /nfs/dbraw/zinc/49/36/95/1120493695.db2.gz UMGFIWBFUKBNHL-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM COC(=O)CCc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000192214762 1120725940 /nfs/dbraw/zinc/72/59/40/1120725940.db2.gz ZOINXGQKWHHRBZ-UHFFFAOYSA-N -1 1 348.786 3.795 20 0 EHADMM Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672350249 1128945813 /nfs/dbraw/zinc/94/58/13/1128945813.db2.gz ABSLCWJHUUVOEQ-UHFFFAOYSA-N -1 1 342.317 3.681 20 0 EHADMM C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000231314555 1121028249 /nfs/dbraw/zinc/02/82/49/1121028249.db2.gz JFHDGKYCSKZBBE-LLVKDONJSA-N -1 1 334.213 3.688 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)OC(C)(C)C)c1 ZINC000495287659 1121033288 /nfs/dbraw/zinc/03/32/88/1121033288.db2.gz ZWOQDTJSEUNZIQ-UHFFFAOYSA-N -1 1 332.322 3.521 20 0 EHADMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)C[C@@H](C)C1 ZINC001212449965 1128961386 /nfs/dbraw/zinc/96/13/86/1128961386.db2.gz FZPQTKJRMAFHKP-GDNZZTSVSA-N -1 1 333.856 3.830 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC23CCC3)c([O-])c1 ZINC000495692804 1121363654 /nfs/dbraw/zinc/36/36/54/1121363654.db2.gz XSGOAQXXEYDSCL-UHFFFAOYSA-N -1 1 332.400 3.508 20 0 EHADMM C/C(=C\C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000762789015 1121439300 /nfs/dbraw/zinc/43/93/00/1121439300.db2.gz UOKCKKMNZOCMDD-BUHFOSPRSA-N -1 1 329.440 3.806 20 0 EHADMM CCn1ccc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)c1 ZINC000670242400 1121762307 /nfs/dbraw/zinc/76/23/07/1121762307.db2.gz XOELUYUCZVXTKY-UHFFFAOYSA-N -1 1 343.814 3.687 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000067659732 1122527146 /nfs/dbraw/zinc/52/71/46/1122527146.db2.gz SFQDOCABZKZWSP-UHFFFAOYSA-N -1 1 344.358 3.770 20 0 EHADMM Cc1c(=O)[n-]c(SC[C@@H]2C[C@@]23CCOC3)nc1-c1ccccc1 ZINC000917468493 1122615748 /nfs/dbraw/zinc/61/57/48/1122615748.db2.gz NEPIRRBXQOFKAU-KBXCAEBGSA-N -1 1 328.437 3.676 20 0 EHADMM CC[C@@H](C)[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(=O)OC ZINC000917467794 1122615951 /nfs/dbraw/zinc/61/59/51/1122615951.db2.gz GXBFNCQQNJVZQL-IAQYHMDHSA-N -1 1 346.452 3.837 20 0 EHADMM Cc1ccc(N2CCCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000917824172 1122692766 /nfs/dbraw/zinc/69/27/66/1122692766.db2.gz SRUZBQUOFYRZAJ-UHFFFAOYSA-N -1 1 344.842 3.707 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC(C(F)(F)F)CC1 ZINC000670418210 1122706219 /nfs/dbraw/zinc/70/62/19/1122706219.db2.gz QKEYVGRSOMFWQP-UHFFFAOYSA-N -1 1 341.251 3.826 20 0 EHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1 ZINC000498012484 1122726693 /nfs/dbraw/zinc/72/66/93/1122726693.db2.gz OSRFNSJYOSCVNA-UHFFFAOYSA-N -1 1 345.449 3.623 20 0 EHADMM CO[C@H]1CCC[C@@H](C(=O)Nc2cc(C)cc(Br)c2[O-])C1 ZINC000498215342 1122801509 /nfs/dbraw/zinc/80/15/09/1122801509.db2.gz FNAWRBKTEOQWPC-MNOVXSKESA-N -1 1 342.233 3.607 20 0 EHADMM C[C@H](Cc1ccsc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000231328687 1122987050 /nfs/dbraw/zinc/98/70/50/1122987050.db2.gz HQRCINUKATZWNY-SECBINFHSA-N -1 1 340.242 3.577 20 0 EHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000131010111 1123030989 /nfs/dbraw/zinc/03/09/89/1123030989.db2.gz KWVCCCVEPXUZSU-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000072034522 1123035719 /nfs/dbraw/zinc/03/57/19/1123035719.db2.gz DBMKCUCWORIACS-UHFFFAOYSA-N -1 1 345.449 3.996 20 0 EHADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000920048464 1123267802 /nfs/dbraw/zinc/26/78/02/1123267802.db2.gz BDXVSBICAYLOKF-DZGCQCFKSA-N -1 1 341.455 3.505 20 0 EHADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000920048467 1123267933 /nfs/dbraw/zinc/26/79/33/1123267933.db2.gz BDXVSBICAYLOKF-HIFRSBDPSA-N -1 1 341.455 3.505 20 0 EHADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc2c(c1)CCCC2 ZINC000499228406 1123289022 /nfs/dbraw/zinc/28/90/22/1123289022.db2.gz MGSJVASDTNYRAY-UHFFFAOYSA-N -1 1 344.461 3.976 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)ccc2n1C ZINC000074985734 1123353403 /nfs/dbraw/zinc/35/34/03/1123353403.db2.gz CNMFVQDHBKLANX-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001649036140 1123357193 /nfs/dbraw/zinc/35/71/93/1123357193.db2.gz ZMBCQBDBFHHCPH-URBCHYCLSA-N -1 1 330.815 3.616 20 0 EHADMM CC(C)CCOC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000920455353 1123371002 /nfs/dbraw/zinc/37/10/02/1123371002.db2.gz URYBERDTALRPJN-UHFFFAOYSA-N -1 1 325.836 3.713 20 0 EHADMM O=C(NC1CC(c2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000133575769 1123404591 /nfs/dbraw/zinc/40/45/91/1123404591.db2.gz ADJBUNBOWPHVEE-UHFFFAOYSA-N -1 1 346.224 3.831 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1cc2ccccc2o1 ZINC000134086776 1123489296 /nfs/dbraw/zinc/48/92/96/1123489296.db2.gz CQTDUABHFZQUSK-OAHLLOKOSA-N -1 1 343.404 3.625 20 0 EHADMM CCOC(=O)Cc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000609609082 1123623035 /nfs/dbraw/zinc/62/30/35/1123623035.db2.gz QFQBBTBVAYHNHM-UHFFFAOYSA-N -1 1 349.386 3.903 20 0 EHADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000079268853 1123682424 /nfs/dbraw/zinc/68/24/24/1123682424.db2.gz HBQNMIPOLKHIRV-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1OC1CCOCC1 ZINC000080029624 1123735784 /nfs/dbraw/zinc/73/57/84/1123735784.db2.gz HKJLSFPVMMSSLF-UHFFFAOYSA-N -1 1 345.370 3.650 20 0 EHADMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000081198890 1123779778 /nfs/dbraw/zinc/77/97/78/1123779778.db2.gz DGVZRQRQIPJVLE-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000615994859 1123925237 /nfs/dbraw/zinc/92/52/37/1123925237.db2.gz VAOMVGJPDYICLR-GOSISDBHSA-N -1 1 334.375 3.901 20 0 EHADMM O=C(CCc1c[nH]c2ccccc12)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365393 1124500297 /nfs/dbraw/zinc/50/02/97/1124500297.db2.gz KFEFTHACBYRKAM-UHFFFAOYSA-N -1 1 336.420 3.613 20 0 EHADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(Cl)cc(Cl)n1 ZINC000181112297 1124533111 /nfs/dbraw/zinc/53/31/11/1124533111.db2.gz RSHKFTGOMQUXBB-UHFFFAOYSA-N -1 1 343.117 3.511 20 0 EHADMM O=C([N-]c1nc(C2CC2)no1)c1csc(-c2c(F)cccc2F)n1 ZINC000734875137 1131286275 /nfs/dbraw/zinc/28/62/75/1131286275.db2.gz RWIRMBSPMAPKIQ-UHFFFAOYSA-N -1 1 348.334 3.601 20 0 EHADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc3c(s2)CCCCCC3)n1 ZINC000619865304 1125419462 /nfs/dbraw/zinc/41/94/62/1125419462.db2.gz WUWKJEAKPGEGFZ-UHFFFAOYSA-N -1 1 347.440 3.559 20 0 EHADMM C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000619930101 1125430014 /nfs/dbraw/zinc/43/00/14/1125430014.db2.gz MJWXWWIHCHYNDE-AWEZNQCLSA-N -1 1 325.408 3.719 20 0 EHADMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000499742902 1129443120 /nfs/dbraw/zinc/44/31/20/1129443120.db2.gz NXIVBRNYFUIVOB-GZMMTYOYSA-N -1 1 341.782 3.826 20 0 EHADMM Cc1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C3CC3)c(=O)[n-]2)c1 ZINC000631024920 1129454109 /nfs/dbraw/zinc/45/41/09/1129454109.db2.gz JFONUKMSUZTRHY-LBPRGKRZSA-N -1 1 343.452 3.796 20 0 EHADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C)cc(F)c3)cc2)co1 ZINC000673883015 1129894749 /nfs/dbraw/zinc/89/47/49/1129894749.db2.gz CJDUDZJYNCGHOM-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CCOc1cc(C(=O)NNc2cc(C)ccc2F)cc(Cl)c1[O-] ZINC000186904380 1129905589 /nfs/dbraw/zinc/90/55/89/1129905589.db2.gz DKGVUZZJQVRXGJ-UHFFFAOYSA-N -1 1 338.766 3.649 20 0 EHADMM COc1ccc(C)cc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186910592 1129908073 /nfs/dbraw/zinc/90/80/73/1129908073.db2.gz PDYXASJLLBZPMQ-UHFFFAOYSA-N -1 1 345.420 3.569 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCC(Oc2cccc(F)c2)CC1 ZINC000530163254 1130073004 /nfs/dbraw/zinc/07/30/04/1130073004.db2.gz GAQGVFMYQFZDQD-UHFFFAOYSA-N -1 1 347.386 3.723 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1ccccc1Br ZINC000674865069 1130211605 /nfs/dbraw/zinc/21/16/05/1130211605.db2.gz BSXQOYOKLPMISD-OAHLLOKOSA-N -1 1 347.212 3.527 20 0 EHADMM CCCC1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC000675226359 1130289906 /nfs/dbraw/zinc/28/99/06/1130289906.db2.gz PCHVXZLYQRJNJA-UHFFFAOYSA-N -1 1 329.440 3.784 20 0 EHADMM CN(Cc1ccccc1)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000732274029 1130904021 /nfs/dbraw/zinc/90/40/21/1130904021.db2.gz ANJIYFRAFDEVFA-UHFFFAOYSA-N -1 1 333.391 3.676 20 0 EHADMM CCOc1cc(C(=O)N[C@H](CC)C(F)(F)F)cc(Cl)c1[O-] ZINC000348063936 1131146787 /nfs/dbraw/zinc/14/67/87/1131146787.db2.gz WSMGZBBWJBVXHJ-SNVBAGLBSA-N -1 1 325.714 3.515 20 0 EHADMM CCOc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)cc(Cl)c1O ZINC000187223684 1131157167 /nfs/dbraw/zinc/15/71/67/1131157167.db2.gz HDWYONQXOXXZRT-XGICHPGQSA-N -1 1 330.767 3.972 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2nccc3ccccc32)c1 ZINC000744878318 1132162925 /nfs/dbraw/zinc/16/29/25/1132162925.db2.gz LAIMIAYTAOQPBR-UHFFFAOYSA-N -1 1 335.359 3.543 20 0 EHADMM CCOc1ccc2cc([N-]S(=O)(=O)c3cccc(N)c3)ccc2c1 ZINC001174108296 1132230751 /nfs/dbraw/zinc/23/07/51/1132230751.db2.gz UDRXLFBKRIHBDZ-UHFFFAOYSA-N -1 1 342.420 3.622 20 0 EHADMM [O-]C(c1cccc(Nc2cncnc2)c1)(C(F)(F)F)C(F)(F)F ZINC001174387971 1132345788 /nfs/dbraw/zinc/34/57/88/1132345788.db2.gz VROYBQAPVGUSDR-UHFFFAOYSA-N -1 1 337.223 3.532 20 0 EHADMM O=C([N-]c1nc(-c2cccs2)ns1)c1coc(C2CCC2)n1 ZINC000194840455 1132490849 /nfs/dbraw/zinc/49/08/49/1132490849.db2.gz CJHCOLKZLFFTEB-UHFFFAOYSA-N -1 1 332.410 3.774 20 0 EHADMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC001174910484 1132501114 /nfs/dbraw/zinc/50/11/14/1132501114.db2.gz LHSBSNOAQRWMDS-UHFFFAOYSA-N -1 1 348.468 3.693 20 0 EHADMM [O-]c1ccc(Cl)c(Nc2ccc(N3CCOCC3)nc2)c1Cl ZINC001174976467 1132509405 /nfs/dbraw/zinc/50/94/05/1132509405.db2.gz VHGXCFIKQMITOO-UHFFFAOYSA-N -1 1 340.210 3.674 20 0 EHADMM Cc1cc(Nc2cc(S(C)(=O)=O)ccc2[O-])ccc1OC(C)C ZINC001175195988 1132584204 /nfs/dbraw/zinc/58/42/04/1132584204.db2.gz JGDNPIDNEYEPGA-UHFFFAOYSA-N -1 1 335.425 3.635 20 0 EHADMM Cn1ncc2cc(Nc3ccc(F)c(Br)c3[O-])ccc21 ZINC001175423586 1132664445 /nfs/dbraw/zinc/66/44/45/1132664445.db2.gz YAYHKILDTLFNAT-UHFFFAOYSA-N -1 1 336.164 3.924 20 0 EHADMM [O-]c1c(Br)c(F)ccc1Nc1ccc2nccnc2c1 ZINC001175494555 1132683243 /nfs/dbraw/zinc/68/32/43/1132683243.db2.gz NUUAMPXMCZGSGQ-UHFFFAOYSA-N -1 1 334.148 3.981 20 0 EHADMM CC(C)Sc1ccc([N-]S(=O)(=O)c2ccc(F)cc2N)cc1 ZINC001175626944 1132717344 /nfs/dbraw/zinc/71/73/44/1132717344.db2.gz WNNBCSYFYKQGSB-UHFFFAOYSA-N -1 1 340.445 3.709 20 0 EHADMM Nc1cc(Br)cc2c1cnn2-c1ccc(Cl)c([O-])c1 ZINC001212593770 1132830440 /nfs/dbraw/zinc/83/04/40/1132830440.db2.gz JHRZHTAQSNEGIU-UHFFFAOYSA-N -1 1 338.592 3.729 20 0 EHADMM CN(C)C(=O)c1cc(Nc2cc(F)c([O-])cc2F)ccc1Cl ZINC001176154194 1132865469 /nfs/dbraw/zinc/86/54/69/1132865469.db2.gz XVSWMWPPAIOVTD-UHFFFAOYSA-N -1 1 326.730 3.769 20 0 EHADMM CCOC(=O)c1nnsc1[N-]c1ccc(Oc2ccccc2)nc1 ZINC001176376446 1132925401 /nfs/dbraw/zinc/92/54/01/1132925401.db2.gz MSSQOFIBMKASJV-UHFFFAOYSA-N -1 1 342.380 3.646 20 0 EHADMM CCCCCC[C@@H](C)NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000767081664 1132943337 /nfs/dbraw/zinc/94/33/37/1132943337.db2.gz KOHBGCNBZIKRDA-GFCCVEGCSA-N -1 1 337.489 3.627 20 0 EHADMM O=C(c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1)N1CCCC1 ZINC001176670097 1132978779 /nfs/dbraw/zinc/97/87/79/1132978779.db2.gz RBOXELLIXXUDSN-UHFFFAOYSA-N -1 1 336.313 3.789 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ncc(Br)cc2F)c1F ZINC001176664820 1132979068 /nfs/dbraw/zinc/97/90/68/1132979068.db2.gz UYOLHASPYRFDNU-UHFFFAOYSA-N -1 1 337.070 3.850 20 0 EHADMM Cc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC001176988285 1133018494 /nfs/dbraw/zinc/01/84/94/1133018494.db2.gz KAFGSGIFZGBZSW-UHFFFAOYSA-N -1 1 331.799 3.633 20 0 EHADMM CCCCCn1cc(CNC(=O)c2c([O-])cccc2Cl)c(C)n1 ZINC000768563246 1133156307 /nfs/dbraw/zinc/15/63/07/1133156307.db2.gz RVEMEYDVNWYGIG-UHFFFAOYSA-N -1 1 335.835 3.671 20 0 EHADMM C[C@@H](COCC1CCCCC1)NC(=O)c1cc(Cl)ccc1[O-] ZINC001178399533 1133162544 /nfs/dbraw/zinc/16/25/44/1133162544.db2.gz AQCSNHBIBYDCQU-LBPRGKRZSA-N -1 1 325.836 3.761 20 0 EHADMM COc1ccc(CC(=O)Nc2cc(F)c([O-])cc2Cl)cc1F ZINC001179655896 1133267465 /nfs/dbraw/zinc/26/74/65/1133267465.db2.gz KLYGLSKOPGJPKJ-UHFFFAOYSA-N -1 1 327.714 3.514 20 0 EHADMM C[C@@H](OCCc1ccccc1)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660052 1133267698 /nfs/dbraw/zinc/26/76/98/1133267698.db2.gz KMHWKHXFSCQRNE-LLVKDONJSA-N -1 1 337.778 3.771 20 0 EHADMM CC(C)COc1ncccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179656630 1133267770 /nfs/dbraw/zinc/26/77/70/1133267770.db2.gz WBRBUEREPATQLQ-UHFFFAOYSA-N -1 1 338.766 3.867 20 0 EHADMM O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1ccc(F)c([O-])c1 ZINC001179965404 1133314601 /nfs/dbraw/zinc/31/46/01/1133314601.db2.gz QYMKKAMVVKLIHF-GOSISDBHSA-N -1 1 336.366 3.640 20 0 EHADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1c([O-])cccc1Cl ZINC000769766345 1133338911 /nfs/dbraw/zinc/33/89/11/1133338911.db2.gz QUXINUWVKUAHFW-SFHVURJKSA-N -1 1 338.794 3.960 20 0 EHADMM Cc1nc2c(s1)[C@H](N(C)C(=O)c1c([O-])cccc1Cl)CCC2 ZINC000769822490 1133344036 /nfs/dbraw/zinc/34/40/36/1133344036.db2.gz IFQQFTILLICAMS-GFCCVEGCSA-N -1 1 336.844 3.960 20 0 EHADMM Cc1ccccc1[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](C)CO1 ZINC000769919749 1133359353 /nfs/dbraw/zinc/35/93/53/1133359353.db2.gz FVTOUTWORVABNW-GUYCJALGSA-N -1 1 345.826 3.956 20 0 EHADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](c2ccccc2)CO1 ZINC000769924700 1133368275 /nfs/dbraw/zinc/36/82/75/1133368275.db2.gz AXZILHXGYXMLFP-SWLSCSKDSA-N -1 1 331.799 3.648 20 0 EHADMM CC(C)CCCCCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000774014540 1133589338 /nfs/dbraw/zinc/58/93/38/1133589338.db2.gz YYKNVYUXYWERTQ-UHFFFAOYSA-N -1 1 344.452 3.742 20 0 EHADMM [O-]c1cccc(CN2CCN(c3c(F)cccc3F)CC2)c1Cl ZINC001182553289 1133695569 /nfs/dbraw/zinc/69/55/69/1133695569.db2.gz CZSVRJMXXYBYAQ-UHFFFAOYSA-N -1 1 338.785 3.646 20 0 EHADMM O=C([N-]c1nc(-c2ccccc2)no1)c1csc(-c2ccccn2)n1 ZINC001182540426 1133698532 /nfs/dbraw/zinc/69/85/32/1133698532.db2.gz AWAVLYJBECAELN-UHFFFAOYSA-N -1 1 349.375 3.507 20 0 EHADMM O=C(Nc1ccncc1[O-])c1ccc(Oc2ccccc2Cl)cc1 ZINC001182626180 1133707678 /nfs/dbraw/zinc/70/76/78/1133707678.db2.gz HEOCQBVXXYXPHL-UHFFFAOYSA-N -1 1 340.766 3.907 20 0 EHADMM Cc1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)c(F)c1F ZINC001182891463 1133744957 /nfs/dbraw/zinc/74/49/57/1133744957.db2.gz UGEGYTWSTDYMBC-UHFFFAOYSA-N -1 1 329.268 3.821 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1csc(C(F)(F)F)c1 ZINC001170059031 1133859958 /nfs/dbraw/zinc/85/99/58/1133859958.db2.gz XNYALYLNNQXYRC-UHFFFAOYSA-N -1 1 349.761 3.985 20 0 EHADMM CCCCCc1ccc(OS(=O)(=O)c2c[n-]nc2Cl)cc1 ZINC001184699878 1133976788 /nfs/dbraw/zinc/97/67/88/1133976788.db2.gz ZBRKEZCFDZKMIT-UHFFFAOYSA-N -1 1 328.821 3.564 20 0 EHADMM O=C(NCCc1ccccc1)Nc1cccc([O-])c1Br ZINC001184949309 1134012834 /nfs/dbraw/zinc/01/28/34/1134012834.db2.gz YMVZSHUXZSIMKV-UHFFFAOYSA-N -1 1 335.201 3.519 20 0 EHADMM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cc2c(s1)CCCC2 ZINC001185098074 1134028390 /nfs/dbraw/zinc/02/83/90/1134028390.db2.gz DCJLAAAVYOAPTP-UHFFFAOYSA-N -1 1 343.420 3.847 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1C ZINC001185185463 1134045780 /nfs/dbraw/zinc/04/57/80/1134045780.db2.gz LVCMYSXULNNANN-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(F)c1 ZINC001185836829 1134139134 /nfs/dbraw/zinc/13/91/34/1134139134.db2.gz NPIHPWOIRVFFNI-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM Cc1cncc2cccc([N-]S(=O)(=O)c3cccc(F)c3C)c12 ZINC001185836200 1134139222 /nfs/dbraw/zinc/13/92/22/1134139222.db2.gz IFVACCSGGVBOCS-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM O=C(NCc1cccc(F)c1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001185838184 1134140028 /nfs/dbraw/zinc/14/00/28/1134140028.db2.gz SZGTWKQZNCBTNK-UHFFFAOYSA-N -1 1 328.265 3.872 20 0 EHADMM C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001186026327 1134161697 /nfs/dbraw/zinc/16/16/97/1134161697.db2.gz XZICTPODDJUXFQ-HNNXBMFYSA-N -1 1 335.407 3.785 20 0 EHADMM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185999252 1134163691 /nfs/dbraw/zinc/16/36/91/1134163691.db2.gz HMKWQQJVGWBCNN-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM CCOC(=O)c1cc2cc(NC(=O)c3ccc([O-])cc3F)ccc2o1 ZINC001186328767 1134195687 /nfs/dbraw/zinc/19/56/87/1134195687.db2.gz INVWCZNYONDBSY-UHFFFAOYSA-N -1 1 343.310 3.707 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc(Cc2ccccc2)n1 ZINC000789930441 1134344961 /nfs/dbraw/zinc/34/49/61/1134344961.db2.gz MGYHDHRJBFDWKN-UHFFFAOYSA-N -1 1 345.811 3.740 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc(-c2ccccc2)n1 ZINC000789929990 1134346101 /nfs/dbraw/zinc/34/61/01/1134346101.db2.gz LIRWJVGDTPSCOM-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM COc1ccccc1[N-]S(=O)(=O)CCc1cccc2ccccc21 ZINC001187608327 1134355631 /nfs/dbraw/zinc/35/56/31/1134355631.db2.gz QIOJXISTPMVYJL-UHFFFAOYSA-N -1 1 341.432 3.833 20 0 EHADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])nn1C1CCCCC1 ZINC000790050796 1134365037 /nfs/dbraw/zinc/36/50/37/1134365037.db2.gz JLUAUYYRUVOATN-UHFFFAOYSA-N -1 1 334.807 3.703 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(F)c(Br)c1 ZINC000790051750 1134365085 /nfs/dbraw/zinc/36/50/85/1134365085.db2.gz UIAYQBYONPXKFO-UHFFFAOYSA-N -1 1 345.555 3.595 20 0 EHADMM Cc1c(C(=O)Nc2nc(Cl)ccc2[O-])cnn1C1CCCCC1 ZINC000790052349 1134365359 /nfs/dbraw/zinc/36/53/59/1134365359.db2.gz VBZZRYGCHJLDQM-UHFFFAOYSA-N -1 1 334.807 3.703 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000790056980 1134366672 /nfs/dbraw/zinc/36/66/72/1134366672.db2.gz RMSIQSSGNBAZSK-JGVFFNPUSA-N -1 1 342.704 3.600 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H](C)c1ccccc1 ZINC001187650856 1134367757 /nfs/dbraw/zinc/36/77/57/1134367757.db2.gz RYXJZPCLFLWRJT-MNOVXSKESA-N -1 1 329.874 3.872 20 0 EHADMM COc1ccc(Cl)cc1NC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001187928325 1134401318 /nfs/dbraw/zinc/40/13/18/1134401318.db2.gz IKLBGNRZOLBGMH-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM C[C@@H](C(=O)[N-]OCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000746937413 1134448660 /nfs/dbraw/zinc/44/86/60/1134448660.db2.gz SPMAEVYBAKPEOZ-SNVBAGLBSA-N -1 1 325.195 3.740 20 0 EHADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000790646039 1134451042 /nfs/dbraw/zinc/45/10/42/1134451042.db2.gz INPQKFLFRVWZNH-UHFFFAOYSA-N -1 1 341.436 3.551 20 0 EHADMM O=C(Nc1nccc2cnccc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188571765 1134478102 /nfs/dbraw/zinc/47/81/02/1134478102.db2.gz CSFNWWMVOCYEJJ-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM CN(C)C(=O)c1cccc(NC(=O)Nc2ccc3ccccc3c2)c1[O-] ZINC001188608766 1134482282 /nfs/dbraw/zinc/48/22/82/1134482282.db2.gz IORYJJFJRXCTME-UHFFFAOYSA-N -1 1 349.390 3.891 20 0 EHADMM O=S(=O)([N-]c1c(Cl)cccc1OC(F)(F)F)c1ccoc1 ZINC001188610159 1134482333 /nfs/dbraw/zinc/48/23/33/1134482333.db2.gz HVVGFPGKAHHHHP-UHFFFAOYSA-N -1 1 341.694 3.632 20 0 EHADMM O=S(=O)([N-]c1ccsc1)c1ccc(Oc2cccnc2)cc1 ZINC001188858710 1134518276 /nfs/dbraw/zinc/51/82/76/1134518276.db2.gz XLAUWRXMIAVHAF-UHFFFAOYSA-N -1 1 332.406 3.736 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cc(F)ccc3c2)c1 ZINC001189236139 1134554862 /nfs/dbraw/zinc/55/48/62/1134554862.db2.gz VXTIJMASCWPSLZ-UHFFFAOYSA-N -1 1 343.379 3.982 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CC(C)C)c1 ZINC001189238755 1134555793 /nfs/dbraw/zinc/55/57/93/1134555793.db2.gz AMUUVDLKGMFGRP-UHFFFAOYSA-N -1 1 331.437 3.889 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1O ZINC001189386479 1134578595 /nfs/dbraw/zinc/57/85/95/1134578595.db2.gz XUFHMPBLFGWPEG-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM Cc1ccc(CO)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189388451 1134579163 /nfs/dbraw/zinc/57/91/63/1134579163.db2.gz GLBGJBGRKIRJLO-UHFFFAOYSA-N -1 1 345.395 3.580 20 0 EHADMM C[C@H](O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189389834 1134579268 /nfs/dbraw/zinc/57/92/68/1134579268.db2.gz XAKHYVVRDLRRSK-LBPRGKRZSA-N -1 1 345.395 3.833 20 0 EHADMM Cc1cnc(S[C@H](C)C(=O)Nc2cccc3ccccc32)[n-]c1=O ZINC001189399288 1134582997 /nfs/dbraw/zinc/58/29/97/1134582997.db2.gz JWFRMCZUPWEZFZ-GFCCVEGCSA-N -1 1 339.420 3.763 20 0 EHADMM CC(C)c1cccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)n1 ZINC001190259341 1134674340 /nfs/dbraw/zinc/67/43/40/1134674340.db2.gz YHRNHRCVNOWBKY-UHFFFAOYSA-N -1 1 334.379 3.620 20 0 EHADMM CCOC(=O)c1nc[nH]c1NC(=O)c1cccc(-c2ccccc2C)c1 ZINC001190291094 1134680858 /nfs/dbraw/zinc/68/08/58/1134680858.db2.gz VBLHWGLWLNAAAP-UHFFFAOYSA-N -1 1 349.390 3.814 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(CO)c2)cc1 ZINC001190447659 1134702493 /nfs/dbraw/zinc/70/24/93/1134702493.db2.gz NBIYUVVRNLFBJM-UHFFFAOYSA-N -1 1 333.453 3.667 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(CO)c(C)c2)cc1 ZINC001190447931 1134703056 /nfs/dbraw/zinc/70/30/56/1134703056.db2.gz QLJFWSTYXQJHHQ-UHFFFAOYSA-N -1 1 347.480 3.976 20 0 EHADMM CCn1cc2cc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)ccc2n1 ZINC001190500113 1134706521 /nfs/dbraw/zinc/70/65/21/1134706521.db2.gz MGRKLWAWDLFQCM-UHFFFAOYSA-N -1 1 341.436 3.734 20 0 EHADMM CCC(CC)Oc1cccc(F)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190897644 1134764917 /nfs/dbraw/zinc/76/49/17/1134764917.db2.gz JFILVFMSYFREFL-UHFFFAOYSA-N -1 1 338.404 3.589 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H](C)O)cc1 ZINC001191253826 1134825650 /nfs/dbraw/zinc/82/56/50/1134825650.db2.gz OTLMWCIZMNWGGP-CQSZACIVSA-N -1 1 333.453 3.883 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1 ZINC001191249075 1134836344 /nfs/dbraw/zinc/83/63/44/1134836344.db2.gz NDKWDGUTNWPROT-UHFFFAOYSA-N -1 1 331.437 3.765 20 0 EHADMM Cc1ccc(Cl)c(NC(=O)Nc2cccc(C(=O)N(C)C)c2[O-])c1 ZINC001191707352 1134902277 /nfs/dbraw/zinc/90/22/77/1134902277.db2.gz JPIYFMZMIPBVNY-UHFFFAOYSA-N -1 1 347.802 3.700 20 0 EHADMM Cn1cc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])c(C(F)(F)F)n1 ZINC001192314895 1134997707 /nfs/dbraw/zinc/99/77/07/1134997707.db2.gz UXQICACBUJLUQA-UHFFFAOYSA-N -1 1 341.333 3.694 20 0 EHADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)c1c[nH]c2ccccc21 ZINC001192556578 1135029802 /nfs/dbraw/zinc/02/98/02/1135029802.db2.gz ZRKHONUZNLOMSY-UHFFFAOYSA-N -1 1 344.361 3.859 20 0 EHADMM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1c(F)ccc([O-])c1F ZINC001192539524 1135033021 /nfs/dbraw/zinc/03/30/21/1135033021.db2.gz LHGIGMHMPVDWMJ-UHFFFAOYSA-N -1 1 349.211 3.527 20 0 EHADMM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)c1 ZINC001192741288 1135049295 /nfs/dbraw/zinc/04/92/95/1135049295.db2.gz HLTGKZXSYDDIRU-MRXNPFEDSA-N -1 1 345.455 3.937 20 0 EHADMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)OCC ZINC001192998166 1135082613 /nfs/dbraw/zinc/08/26/13/1135082613.db2.gz DXTKOGGBDDGOOA-QMMMGPOBSA-N -1 1 346.301 3.538 20 0 EHADMM CC(=Cc1ccccc1Cl)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129639808 1135125590 /nfs/dbraw/zinc/12/55/90/1135125590.db2.gz SRFNDFAFPFNESY-ZHACJKMWSA-N -1 1 343.814 3.756 20 0 EHADMM Cc1cccc([C@H](C)NC(=O)c2cc(Br)ccc2[O-])c1 ZINC001152114423 1135136923 /nfs/dbraw/zinc/13/69/23/1135136923.db2.gz YIMYYOAWBLPLFL-NSHDSACASA-N -1 1 334.213 3.954 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(SC(F)(F)F)cc1 ZINC001193925010 1135205255 /nfs/dbraw/zinc/20/52/55/1135205255.db2.gz RLCCJVNOIYISMC-UHFFFAOYSA-N -1 1 348.371 3.682 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(-c2ccncn2)cc1 ZINC001194644472 1135296088 /nfs/dbraw/zinc/29/60/88/1135296088.db2.gz UDEQSZGVOUYMCX-UHFFFAOYSA-N -1 1 339.420 3.561 20 0 EHADMM COc1cccc2c(NC(=O)c3c[n-]c(C(F)(F)F)n3)cccc12 ZINC001194783573 1135315309 /nfs/dbraw/zinc/31/53/09/1135315309.db2.gz QTTKMYIHFIFQGL-UHFFFAOYSA-N -1 1 335.285 3.843 20 0 EHADMM O=C(Nc1ccc2c3c(cccc31)CC2)c1c[n-]c(C(F)(F)F)n1 ZINC001194783056 1135315596 /nfs/dbraw/zinc/31/55/96/1135315596.db2.gz BYXRXAQFJRNCCL-UHFFFAOYSA-N -1 1 331.297 3.933 20 0 EHADMM Cc1ccc2nc(NC(=O)c3c[n-]c(C(F)(F)F)n3)sc2c1 ZINC001194770960 1135320976 /nfs/dbraw/zinc/32/09/76/1135320976.db2.gz VOCWXNRXDDEMLV-UHFFFAOYSA-N -1 1 326.303 3.599 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cnc(Cl)nc2Cl)c1 ZINC001195117145 1135371745 /nfs/dbraw/zinc/37/17/45/1135371745.db2.gz ZACBIEDUOCZHKW-UHFFFAOYSA-N -1 1 346.239 3.708 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(CO)c2)c1 ZINC001195158758 1135384348 /nfs/dbraw/zinc/38/43/48/1135384348.db2.gz GWIIWJKSTKLFKS-UHFFFAOYSA-N -1 1 339.844 3.757 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CC3)c1 ZINC001195169622 1135386463 /nfs/dbraw/zinc/38/64/63/1135386463.db2.gz RYOHVQSISYYPEA-SFHVURJKSA-N -1 1 331.437 3.590 20 0 EHADMM COc1ccccc1OC(=O)Nc1ccc([O-])c(Br)c1 ZINC001195262347 1135401651 /nfs/dbraw/zinc/40/16/51/1135401651.db2.gz SMWNDHNIOKXXJB-UHFFFAOYSA-N -1 1 338.157 3.774 20 0 EHADMM Cc1ccc([O-])c(C(=O)Nc2cnc3c(cccc3C(F)(F)F)c2)n1 ZINC001195323419 1135405329 /nfs/dbraw/zinc/40/53/29/1135405329.db2.gz UZHMXIQYZODGFS-UHFFFAOYSA-N -1 1 347.296 3.915 20 0 EHADMM O=C(Nc1cncc(-c2ccccc2)c1)c1cc([O-])cnc1Cl ZINC001195298197 1135408797 /nfs/dbraw/zinc/40/87/97/1135408797.db2.gz PXSVAOXRJHBCEJ-UHFFFAOYSA-N -1 1 325.755 3.755 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(OC(F)(F)F)cc1Cl ZINC001195484553 1135431840 /nfs/dbraw/zinc/43/18/40/1135431840.db2.gz NTCSECYMOJQBPH-UHFFFAOYSA-N -1 1 342.726 3.682 20 0 EHADMM O=C(Nc1cccc(COc2ccccc2)c1)C(=O)c1ccc([O-])cc1 ZINC000806539820 1135450893 /nfs/dbraw/zinc/45/08/93/1135450893.db2.gz HTFLALVCIDHVEH-UHFFFAOYSA-N -1 1 347.370 3.793 20 0 EHADMM [O-]c1ccc(NC(=S)NCc2cccc(Cl)c2)c(F)c1F ZINC001195975325 1135495708 /nfs/dbraw/zinc/49/57/08/1135495708.db2.gz DGEJFYWPVWJWBW-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000747396215 1135539605 /nfs/dbraw/zinc/53/96/05/1135539605.db2.gz YMLZUWUWUOOSQL-LJQANCHMSA-N -1 1 329.444 3.577 20 0 EHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1nccn1-c1ccccc1 ZINC000807810671 1135572776 /nfs/dbraw/zinc/57/27/76/1135572776.db2.gz SDSAVRUPGYWHID-GFCCVEGCSA-N -1 1 341.798 3.722 20 0 EHADMM COC(=O)c1ccc(NC(=S)Nc2cccc([O-])c2Cl)cc1 ZINC001196761348 1135602885 /nfs/dbraw/zinc/60/28/85/1135602885.db2.gz QLGTYEARLDDYTR-UHFFFAOYSA-N -1 1 336.800 3.641 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3cnccc32)c(C)c1 ZINC001196846084 1135618352 /nfs/dbraw/zinc/61/83/52/1135618352.db2.gz WBYBYWJDOAXKJD-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(C)c1 ZINC001196877581 1135620908 /nfs/dbraw/zinc/62/09/08/1135620908.db2.gz GQDSTYQNZYLBSC-UHFFFAOYSA-N -1 1 343.807 3.905 20 0 EHADMM CC(C)Oc1c(F)ccc(C(=O)[N-]c2nnc(C(C)(C)C)o2)c1F ZINC001196881940 1135621590 /nfs/dbraw/zinc/62/15/90/1135621590.db2.gz WPLGTJLMDXTSJI-UHFFFAOYSA-N -1 1 339.342 3.685 20 0 EHADMM S=c1nc(-c2ccccn2)[n-]n1CN1Cc2cccc(Cl)c2C1 ZINC000808204405 1135634591 /nfs/dbraw/zinc/63/45/91/1135634591.db2.gz IQWBWZZAFOXYHZ-UHFFFAOYSA-N -1 1 343.843 3.629 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)Nc1ccc(F)c(Cl)c1 ZINC001197400599 1135684497 /nfs/dbraw/zinc/68/44/97/1135684497.db2.gz CHYSYHZUNXEUQD-UHFFFAOYSA-N -1 1 344.720 3.827 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000808569314 1135695626 /nfs/dbraw/zinc/69/56/26/1135695626.db2.gz GKPJSWKPOXRDLX-UHFFFAOYSA-N -1 1 332.450 3.533 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1Cl)C1=Cc2ccccc2OC1 ZINC000808568969 1135696070 /nfs/dbraw/zinc/69/60/70/1135696070.db2.gz WONAPUBSCSYNAK-UHFFFAOYSA-N -1 1 339.775 3.654 20 0 EHADMM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1ccccc1O ZINC001197529325 1135698999 /nfs/dbraw/zinc/69/89/99/1135698999.db2.gz KWDFZUPHHQJMAS-UHFFFAOYSA-N -1 1 332.208 3.641 20 0 EHADMM [O-]c1ccc(NC(=S)NCc2ccc(Cl)cc2)c(F)c1F ZINC001197571635 1135701870 /nfs/dbraw/zinc/70/18/70/1135701870.db2.gz NJGVVEKZMCAMEU-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)n1 ZINC001197725413 1135731025 /nfs/dbraw/zinc/73/10/25/1135731025.db2.gz AEKBBNQZCKUPFC-UHFFFAOYSA-N -1 1 345.251 3.893 20 0 EHADMM Cc1cc2cccc(C(=O)Nc3nc(Br)ccc3[O-])c2[nH]1 ZINC001198558745 1135830453 /nfs/dbraw/zinc/83/04/53/1135830453.db2.gz QFSHPAJWUIAYMV-UHFFFAOYSA-N -1 1 346.184 3.592 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3occc3c2)cc1OC ZINC001198857157 1135861876 /nfs/dbraw/zinc/86/18/76/1135861876.db2.gz VRGNFLBMHLABBN-UHFFFAOYSA-N -1 1 347.392 3.559 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc4occc4c3)ccc2o1 ZINC001198861881 1135862369 /nfs/dbraw/zinc/86/23/69/1135862369.db2.gz MLVGJWMPYRNAER-UHFFFAOYSA-N -1 1 328.349 3.683 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C)nc(C)c2)c1 ZINC001152518614 1135870611 /nfs/dbraw/zinc/87/06/11/1135870611.db2.gz UARJJNLQZCJWDA-UHFFFAOYSA-N -1 1 335.201 3.727 20 0 EHADMM O=C([N-]c1cc(-c2ccc(F)cc2)no1)c1cnoc1C(F)(F)F ZINC001199049912 1135875942 /nfs/dbraw/zinc/87/59/42/1135875942.db2.gz QSXXLUBXQAJZGO-UHFFFAOYSA-N -1 1 341.220 3.740 20 0 EHADMM CN(C)c1ccc(C2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC000775971306 1135908770 /nfs/dbraw/zinc/90/87/70/1135908770.db2.gz NFUUNNSEMAJZEK-UHFFFAOYSA-N -1 1 342.414 3.617 20 0 EHADMM O=C(Nc1ccccc1Cl)Nc1cc2ccc([O-])cc2oc1=O ZINC001202053647 1136086679 /nfs/dbraw/zinc/08/66/79/1136086679.db2.gz YUGIQEFIABZJLU-UHFFFAOYSA-N -1 1 330.727 3.796 20 0 EHADMM O=C(Nc1ccc(Br)cc1)Nc1cccc(F)c1[O-] ZINC001202332781 1136130527 /nfs/dbraw/zinc/13/05/27/1136130527.db2.gz GNRBILITPCHJNL-UHFFFAOYSA-N -1 1 325.137 3.938 20 0 EHADMM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000776466171 1136214436 /nfs/dbraw/zinc/21/44/36/1136214436.db2.gz SQYSUOIPQOXJKF-UHFFFAOYSA-N -1 1 349.264 3.770 20 0 EHADMM CCN(CC)[C@H](C(=O)[N-]OC1CCC1)c1cccc(C(F)(F)F)c1 ZINC000812789650 1136247112 /nfs/dbraw/zinc/24/71/12/1136247112.db2.gz JLBOEMNFCHLISL-HNNXBMFYSA-N -1 1 344.377 3.689 20 0 EHADMM CSc1cc(C)c(C(=O)OCCc2cc(C(C)=O)ccc2[O-])o1 ZINC000853941377 1136575904 /nfs/dbraw/zinc/57/59/04/1136575904.db2.gz XTRNOKNPJVXNJC-UHFFFAOYSA-N -1 1 334.393 3.618 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2ccc(O)c(COC(C)C)c2)c1 ZINC000854500827 1136621162 /nfs/dbraw/zinc/62/11/62/1136621162.db2.gz ZNEYHJIRFRTFLC-UHFFFAOYSA-N -1 1 347.436 3.997 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000855061824 1136664549 /nfs/dbraw/zinc/66/45/49/1136664549.db2.gz ZTAOOSNQIVXJGG-WFASDCNBSA-N -1 1 346.427 3.754 20 0 EHADMM O=C([N-]Cc1cscn1)C(F)(F)c1cccc(Cl)c1Cl ZINC000857443794 1136871400 /nfs/dbraw/zinc/87/14/00/1136871400.db2.gz QFFKIIHFMHRFBB-UHFFFAOYSA-N -1 1 337.178 3.858 20 0 EHADMM Cc1ncc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)o1 ZINC000857536088 1136880947 /nfs/dbraw/zinc/88/09/47/1136880947.db2.gz USVQDHRUWZHOAY-UHFFFAOYSA-N -1 1 335.137 3.698 20 0 EHADMM CCCCN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@@H]1CCC[C@@H](C)C1 ZINC000818803961 1136889738 /nfs/dbraw/zinc/88/97/38/1136889738.db2.gz YKJJMPDQUBMFGM-UKRRQHHQSA-N -1 1 346.500 3.839 20 0 EHADMM Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001136191026 1136916868 /nfs/dbraw/zinc/91/68/68/1136916868.db2.gz XBBRQYORHSJFMJ-CQSZACIVSA-N -1 1 335.407 3.908 20 0 EHADMM CC(C)(C)C1CCC(=CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CC1 ZINC000819680853 1136956432 /nfs/dbraw/zinc/95/64/32/1136956432.db2.gz QYYLBDQYLDGRAF-UHFFFAOYSA-N -1 1 347.459 3.644 20 0 EHADMM O=S(=O)([N-]c1cnc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000820799520 1137006595 /nfs/dbraw/zinc/00/65/95/1137006595.db2.gz UGWNUMQDBAVZRN-UHFFFAOYSA-N -1 1 343.644 3.904 20 0 EHADMM Cc1nc(-c2cccc(NC(=O)c3ccc(F)c([O-])c3)c2)[nH]c1C ZINC001136399595 1137013021 /nfs/dbraw/zinc/01/30/21/1137013021.db2.gz FUXBJBRCIKMHBI-UHFFFAOYSA-N -1 1 325.343 3.791 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)cc1C ZINC000821116165 1137017541 /nfs/dbraw/zinc/01/75/41/1137017541.db2.gz KLRKXHRDYWQDHN-UHFFFAOYSA-N -1 1 336.800 3.899 20 0 EHADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000821826147 1137039220 /nfs/dbraw/zinc/03/92/20/1137039220.db2.gz DFHWHBDCLQDSNN-SNVBAGLBSA-N -1 1 340.210 3.695 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cnc1Cl ZINC000117227442 1137045381 /nfs/dbraw/zinc/04/53/81/1137045381.db2.gz XMLZDJDUGMSLKK-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM COc1cc(C(=O)N2CCC(CC(C)C)CC2)cc(Cl)c1[O-] ZINC000785609865 1137053144 /nfs/dbraw/zinc/05/31/44/1137053144.db2.gz MVEMOGFWIHBYAS-UHFFFAOYSA-N -1 1 325.836 3.953 20 0 EHADMM CSc1ccccc1CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000777168821 1137091598 /nfs/dbraw/zinc/09/15/98/1137091598.db2.gz JWGIOUFUHLZIBV-UHFFFAOYSA-N -1 1 344.432 3.645 20 0 EHADMM CC(=O)CCCCCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000862076864 1137128365 /nfs/dbraw/zinc/12/83/65/1137128365.db2.gz DAJFZOLFMGOIKG-UHFFFAOYSA-N -1 1 331.334 3.680 20 0 EHADMM CC(=O)CCCCCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000862079123 1137128753 /nfs/dbraw/zinc/12/87/53/1137128753.db2.gz TYTKFKQNGXXEGX-UHFFFAOYSA-N -1 1 331.334 3.680 20 0 EHADMM Cc1ccc([C@H](C)CNC(=O)c2c([O-])cnc3c(F)cccc32)cc1 ZINC001136845059 1137129321 /nfs/dbraw/zinc/12/93/21/1137129321.db2.gz CCBCEIXFRYHWNE-CYBMUJFWSA-N -1 1 338.382 3.921 20 0 EHADMM O=C(NCc1cccc(N2CC=CC2)c1)c1ccc2ccccc2c1[O-] ZINC001136894289 1137143621 /nfs/dbraw/zinc/14/36/21/1137143621.db2.gz RYUMWADXQLDTCW-UHFFFAOYSA-N -1 1 344.414 3.852 20 0 EHADMM CO[C@H]1CCC[C@@H](Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)C1 ZINC000825011427 1137160398 /nfs/dbraw/zinc/16/03/98/1137160398.db2.gz JVQBPTZYNAKEPE-HIFRSBDPSA-N -1 1 344.377 3.543 20 0 EHADMM C[C@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000863739928 1137201483 /nfs/dbraw/zinc/20/14/83/1137201483.db2.gz BBAKNYCDGTULNA-TVQRCGJNSA-N -1 1 335.753 3.901 20 0 EHADMM Cc1ccnc(CNCCCCCCCC(=O)[O-])c1Br ZINC000864504246 1137230393 /nfs/dbraw/zinc/23/03/93/1137230393.db2.gz CPJAUMQBISKBCB-UHFFFAOYSA-N -1 1 343.265 3.667 20 0 EHADMM O=C(c1ccc(F)cc1)C1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144541755 1137306996 /nfs/dbraw/zinc/30/69/96/1137306996.db2.gz KSFMPVIGEYRFGW-UHFFFAOYSA-N -1 1 349.352 3.904 20 0 EHADMM O=S(=O)([N-]CCC[C@@H]1CC1(Cl)Cl)c1cc2ccccc2o1 ZINC000846022188 1137326615 /nfs/dbraw/zinc/32/66/15/1137326615.db2.gz MYYGRHFXBCYLBG-LLVKDONJSA-N -1 1 348.251 3.685 20 0 EHADMM CSc1cccnc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001144821037 1137352208 /nfs/dbraw/zinc/35/22/08/1137352208.db2.gz YVFMKCKBHXDBHB-UHFFFAOYSA-N -1 1 328.315 3.780 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@]2(CC2(F)F)C1 ZINC000846579608 1137357510 /nfs/dbraw/zinc/35/75/10/1137357510.db2.gz VTDFVUJQVJKJTA-ZDUSSCGKSA-N -1 1 335.272 3.672 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2cc(CC(C)(C)C)nn2C)c1 ZINC001145078458 1137384028 /nfs/dbraw/zinc/38/40/28/1137384028.db2.gz SRIRTECWVAXBQE-UHFFFAOYSA-N -1 1 333.457 3.689 20 0 EHADMM COc1cccc(-c2ccc(CNC(=O)c3ncc(C)cc3[O-])cc2)c1 ZINC001146566482 1137391838 /nfs/dbraw/zinc/39/18/38/1137391838.db2.gz CNKLEKZCMQROKA-UHFFFAOYSA-N -1 1 348.402 3.701 20 0 EHADMM COc1cc(Br)c([O-])c(NC(=O)C2=CCCCC2)c1 ZINC001146717235 1137393676 /nfs/dbraw/zinc/39/36/76/1137393676.db2.gz VJJJXYJFRDWOKG-UHFFFAOYSA-N -1 1 326.190 3.602 20 0 EHADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC001147307512 1137404992 /nfs/dbraw/zinc/40/49/92/1137404992.db2.gz SZUHJZJXEUPNSX-UHFFFAOYSA-N -1 1 326.356 3.583 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ncccc3C(C)C)cc2)[n-]1 ZINC001148329425 1137422655 /nfs/dbraw/zinc/42/26/55/1137422655.db2.gz OVGXOGJNSRKBMI-UHFFFAOYSA-N -1 1 336.395 3.570 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N(C)[C@@H]3CCc4ccccc43)cc2)[n-]1 ZINC001148332984 1137422669 /nfs/dbraw/zinc/42/26/69/1137422669.db2.gz IZOSLUOHQFBZOL-LJQANCHMSA-N -1 1 347.418 3.559 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3cc(C)c(C)cc3C)cc2)[n-]1 ZINC001148338285 1137422752 /nfs/dbraw/zinc/42/27/52/1137422752.db2.gz YHPVPEUWHDZHQR-UHFFFAOYSA-N -1 1 335.407 3.977 20 0 EHADMM CCCCCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000017322704 1137435646 /nfs/dbraw/zinc/43/56/46/1137435646.db2.gz ZBYXBLDSHVZRPH-UHFFFAOYSA-N -1 1 338.864 3.567 20 0 EHADMM C=Cc1ccc(NC(=O)c2cc([O-])c(Br)c(O)c2)cc1 ZINC001148988833 1137439184 /nfs/dbraw/zinc/43/91/84/1137439184.db2.gz YUGORBXKSMTYSS-UHFFFAOYSA-N -1 1 334.169 3.756 20 0 EHADMM COC(=O)c1coc(-c2nc3sc(C(C)(C)C)cc3c(=O)[n-]2)c1 ZINC000871601807 1137548380 /nfs/dbraw/zinc/54/83/80/1137548380.db2.gz NGGRDEAARUYRMU-UHFFFAOYSA-N -1 1 332.381 3.741 20 0 EHADMM CC(=O)[C@H](Cc1ccccc1)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000871679147 1137552906 /nfs/dbraw/zinc/55/29/06/1137552906.db2.gz IWGXCSMGIMUZNB-HNNXBMFYSA-N -1 1 328.437 3.660 20 0 EHADMM CC(C)(C)CC(=O)[N-]OCc1nnc(-c2cccc3ccccc32)o1 ZINC000871753678 1137557511 /nfs/dbraw/zinc/55/75/11/1137557511.db2.gz WPECXQRKQNVFIQ-UHFFFAOYSA-N -1 1 339.395 3.874 20 0 EHADMM O=c1c2c([n-]n1[C@H]1CCOC3(CCCC3)C1)-c1ccccc1CCC2 ZINC000871964544 1137563917 /nfs/dbraw/zinc/56/39/17/1137563917.db2.gz SLZUSUJFOANZDA-FUHWJXTLSA-N -1 1 338.451 3.677 20 0 EHADMM O=C([O-])c1cccc(Cl)c1CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000872165423 1137574765 /nfs/dbraw/zinc/57/47/65/1137574765.db2.gz FWDPNPAVVPMBQR-AWEZNQCLSA-N -1 1 349.789 3.831 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(CCc1ccccc1Cl)CC2 ZINC000872166634 1137574975 /nfs/dbraw/zinc/57/49/75/1137574975.db2.gz LGQUKFUGZKDEIR-UHFFFAOYSA-N -1 1 345.826 3.648 20 0 EHADMM C[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872813121 1137584845 /nfs/dbraw/zinc/58/48/45/1137584845.db2.gz OZKKCZZKHRGDEB-LBPRGKRZSA-N -1 1 348.830 3.572 20 0 EHADMM C[C@@]1(CCNC(=O)NCc2ccc([O-])c(Cl)c2)C[C@@]1(F)Cl ZINC000873055513 1137589102 /nfs/dbraw/zinc/58/91/02/1137589102.db2.gz IWCIHIIWSAIZOG-KGLIPLIRSA-N -1 1 335.206 3.550 20 0 EHADMM Cc1ccc(-c2nc(C(=O)[N-]c3nc(C(C)C)ns3)cs2)n1C ZINC000874696321 1137621539 /nfs/dbraw/zinc/62/15/39/1137621539.db2.gz WKHCKDNRSWSCSK-UHFFFAOYSA-N -1 1 347.469 3.684 20 0 EHADMM CC(C)(C)c1nc(C(=O)[N-]c2nnc(-c3ccsc3)s2)co1 ZINC000875207171 1137630358 /nfs/dbraw/zinc/63/03/58/1137630358.db2.gz XTNKGFSJQOSHLT-UHFFFAOYSA-N -1 1 334.426 3.804 20 0 EHADMM CC1(CC(F)(F)F)CN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876397214 1137650844 /nfs/dbraw/zinc/65/08/44/1137650844.db2.gz YKIVRWXFKVKRDG-UHFFFAOYSA-N -1 1 336.741 3.530 20 0 EHADMM CCC1(CC)C[N@@H+](Cc2nnc(-c3ccccc3O)o2)CCS1 ZINC000878436694 1137715857 /nfs/dbraw/zinc/71/58/57/1137715857.db2.gz DRRPEEKRLJVVIS-UHFFFAOYSA-N -1 1 333.457 3.550 20 0 EHADMM Cc1noc(C2CC2)c1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000129240334 1137815515 /nfs/dbraw/zinc/81/55/15/1137815515.db2.gz CMYMISGJNUSVTE-UHFFFAOYSA-N -1 1 326.381 3.631 20 0 EHADMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1ccc([O-])c(Cl)c1)N2 ZINC000106899929 1137885069 /nfs/dbraw/zinc/88/50/69/1137885069.db2.gz ZZBXPEUCBLKWLB-KRWDZBQOSA-N -1 1 344.798 3.783 20 0 EHADMM CCCCCCC(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C)s1 ZINC000120088716 1137946477 /nfs/dbraw/zinc/94/64/77/1137946477.db2.gz RQKIFPMPNWEBNM-UHFFFAOYSA-N -1 1 339.490 3.819 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCOC2(CCCC2)C1 ZINC000885681643 1138018196 /nfs/dbraw/zinc/01/81/96/1138018196.db2.gz FQAOJDVHGVJYAB-SNVBAGLBSA-N -1 1 327.783 3.863 20 0 EHADMM O=C(NCC[C@@H]1CCC2(CCC2)O1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000886053967 1138036125 /nfs/dbraw/zinc/03/61/25/1138036125.db2.gz SQPZZBNSACPZKN-LBPRGKRZSA-N -1 1 343.345 3.633 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](C2CCOCC2)C1 ZINC000886143409 1138051883 /nfs/dbraw/zinc/05/18/83/1138051883.db2.gz BIHOKJXFIOYUGM-SFHVURJKSA-N -1 1 339.435 3.824 20 0 EHADMM Cc1occ(C(F)(F)F)c1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886271533 1138063208 /nfs/dbraw/zinc/06/32/08/1138063208.db2.gz MBHAVEHFMHJEGH-UHFFFAOYSA-N -1 1 349.255 3.563 20 0 EHADMM CCC[C@H](C(=O)NCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000066639609 1138076395 /nfs/dbraw/zinc/07/63/95/1138076395.db2.gz WCTUNTSDIWZBIX-AWEZNQCLSA-N -1 1 332.473 3.722 20 0 EHADMM O=C(CC1=CCCCC1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424215 1138084988 /nfs/dbraw/zinc/08/49/88/1138084988.db2.gz PNHDTLSIQMKMAB-UHFFFAOYSA-N -1 1 346.500 3.872 20 0 EHADMM CCCCN(CC)C(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000140379121 1138244779 /nfs/dbraw/zinc/24/47/79/1138244779.db2.gz JJZSJGMWZNCHJK-UHFFFAOYSA-N -1 1 332.473 3.565 20 0 EHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2OC(C)(C)C)c1 ZINC000122569745 1138259614 /nfs/dbraw/zinc/25/96/14/1138259614.db2.gz NSFXXYCJQOVVOV-UHFFFAOYSA-N -1 1 342.395 3.780 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c1 ZINC000337771259 1138664223 /nfs/dbraw/zinc/66/42/23/1138664223.db2.gz VNUMTDHTYZMIDR-UHFFFAOYSA-N -1 1 334.422 3.659 20 0 EHADMM CC[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCS1 ZINC000338387197 1138879537 /nfs/dbraw/zinc/87/95/37/1138879537.db2.gz JVMUNIOTFCUHHY-NSHDSACASA-N -1 1 336.844 3.561 20 0 EHADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](c2ccsc2)O1 ZINC000150868197 1138989022 /nfs/dbraw/zinc/98/90/22/1138989022.db2.gz SPKZBVCNTXGLCK-MEBBXXQBSA-N -1 1 337.828 3.709 20 0 EHADMM CCC[C@@](C)(NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000889479157 1139214312 /nfs/dbraw/zinc/21/43/12/1139214312.db2.gz ARFJJCXWVRHQAA-LJQANCHMSA-N -1 1 325.412 3.505 20 0 EHADMM CCc1cnc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000180662481 1139853998 /nfs/dbraw/zinc/85/39/98/1139853998.db2.gz UOGRDJOHMYXKRA-UHFFFAOYSA-N -1 1 344.358 3.702 20 0 EHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(N2CCCC2)c1 ZINC000181258772 1139896126 /nfs/dbraw/zinc/89/61/26/1139896126.db2.gz QULDUJZVMZXHJW-ZDUSSCGKSA-N -1 1 328.387 3.623 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000191889242 1140492093 /nfs/dbraw/zinc/49/20/93/1140492093.db2.gz BLDTVGNPZROUDQ-UHFFFAOYSA-N -1 1 345.464 3.555 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000191890659 1140492337 /nfs/dbraw/zinc/49/23/37/1140492337.db2.gz YJZJMYKTLHQMQF-UHFFFAOYSA-N -1 1 339.844 3.638 20 0 EHADMM CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(F)cc3[O-])cc12 ZINC000268985806 1141039539 /nfs/dbraw/zinc/03/95/39/1141039539.db2.gz CPCHHGXFFPXEQW-UHFFFAOYSA-N -1 1 333.388 3.855 20 0 EHADMM Nc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000034955905 213002724 /nfs/dbraw/zinc/00/27/24/213002724.db2.gz DNOIHILHBLYTIS-UHFFFAOYSA-N -1 1 335.187 3.516 20 0 EHADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000037369339 213141140 /nfs/dbraw/zinc/14/11/40/213141140.db2.gz QJJFCZBFTBWXMS-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1Br ZINC000006416103 210631852 /nfs/dbraw/zinc/63/18/52/210631852.db2.gz LDPLOMAZLMOMGW-UHFFFAOYSA-N -1 1 326.215 3.558 20 0 EHADMM CCCC(CCC)Sc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736425206 598962722 /nfs/dbraw/zinc/96/27/22/598962722.db2.gz FWBJAKBZCDZUIJ-UHFFFAOYSA-N -1 1 328.445 3.871 20 0 EHADMM Clc1nsc(N[C@@H](CC2CC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000822590087 599054133 /nfs/dbraw/zinc/05/41/33/599054133.db2.gz HOTIRPSKSMNGMI-NSHDSACASA-N -1 1 346.847 3.930 20 0 EHADMM Clc1nsc(N[C@@H](CC2CC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000822590087 599054135 /nfs/dbraw/zinc/05/41/35/599054135.db2.gz HOTIRPSKSMNGMI-NSHDSACASA-N -1 1 346.847 3.930 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000320514603 597072575 /nfs/dbraw/zinc/07/25/75/597072575.db2.gz NNJYIZNABGMYHB-GFCCVEGCSA-N -1 1 334.803 3.682 20 0 EHADMM COc1ccccc1[C@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737141134 599255323 /nfs/dbraw/zinc/25/53/23/599255323.db2.gz HEEPXVBSUTWNTM-LBPRGKRZSA-N -1 1 346.394 3.597 20 0 EHADMM COc1ccccc1[C@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000737141134 599255324 /nfs/dbraw/zinc/25/53/24/599255324.db2.gz HEEPXVBSUTWNTM-LBPRGKRZSA-N -1 1 346.394 3.597 20 0 EHADMM c1csc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000738453015 599258647 /nfs/dbraw/zinc/25/86/47/599258647.db2.gz SPUIOHGUETVLPX-OAHLLOKOSA-N -1 1 348.435 3.818 20 0 EHADMM c1csc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000738453015 599258648 /nfs/dbraw/zinc/25/86/48/599258648.db2.gz SPUIOHGUETVLPX-OAHLLOKOSA-N -1 1 348.435 3.818 20 0 EHADMM c1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000738436432 599263356 /nfs/dbraw/zinc/26/33/56/599263356.db2.gz IEURCTULOQJDSG-MRXNPFEDSA-N -1 1 328.379 3.514 20 0 EHADMM c1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000738436432 599263357 /nfs/dbraw/zinc/26/33/57/599263357.db2.gz IEURCTULOQJDSG-MRXNPFEDSA-N -1 1 328.379 3.514 20 0 EHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000820147858 598192479 /nfs/dbraw/zinc/19/24/79/598192479.db2.gz IXFUMFGJPODLLN-NSHDSACASA-N -1 1 345.349 3.980 20 0 EHADMM CC[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736351536 598571009 /nfs/dbraw/zinc/57/10/09/598571009.db2.gz RQEVQYHPUFRPNP-LLVKDONJSA-N -1 1 328.807 3.521 20 0 EHADMM CC[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736351536 598571010 /nfs/dbraw/zinc/57/10/10/598571010.db2.gz RQEVQYHPUFRPNP-LLVKDONJSA-N -1 1 328.807 3.521 20 0 EHADMM c1ccc(C(CNc2cccc(-c3nnn[n-]3)n2)c2ccccc2)cc1 ZINC000738427919 599398371 /nfs/dbraw/zinc/39/83/71/599398371.db2.gz ZKBXUGDLNCDION-UHFFFAOYSA-N -1 1 342.406 3.506 20 0 EHADMM c1ccc(C(CNc2cccc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC000738427919 599398374 /nfs/dbraw/zinc/39/83/74/599398374.db2.gz ZKBXUGDLNCDION-UHFFFAOYSA-N -1 1 342.406 3.506 20 0 EHADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000820927029 599502325 /nfs/dbraw/zinc/50/23/25/599502325.db2.gz YWQYFHFSCBAICO-OAHLLOKOSA-N -1 1 330.395 3.978 20 0 EHADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000820927029 599502327 /nfs/dbraw/zinc/50/23/27/599502327.db2.gz YWQYFHFSCBAICO-OAHLLOKOSA-N -1 1 330.395 3.978 20 0 EHADMM CS[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821951483 599562615 /nfs/dbraw/zinc/56/26/15/599562615.db2.gz ZDIMHYPUAATNHB-NWDGAFQWSA-N -1 1 340.456 3.501 20 0 EHADMM CS[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821951483 599562616 /nfs/dbraw/zinc/56/26/16/599562616.db2.gz ZDIMHYPUAATNHB-NWDGAFQWSA-N -1 1 340.456 3.501 20 0 EHADMM C[C@@H](CN(Cc1cc(-c2ccco2)on1)Cc1ccccc1)C(=O)[O-] ZINC000652456677 599713844 /nfs/dbraw/zinc/71/38/44/599713844.db2.gz ABLSJIGABVFBRF-AWEZNQCLSA-N -1 1 340.379 3.658 20 0 EHADMM O=C([O-])[C@H](NCc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000683172767 599788187 /nfs/dbraw/zinc/78/81/87/599788187.db2.gz HIINBEGOOKLGQK-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM Cc1cccc(-n2ccn(CN3CCCC[C@H]3CC(=O)[O-])c2=S)c1 ZINC000738681796 599840045 /nfs/dbraw/zinc/84/00/45/599840045.db2.gz XNTGGZZWQHOOER-HNNXBMFYSA-N -1 1 345.468 3.603 20 0 EHADMM CCN(CC)[C@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000737086049 600018837 /nfs/dbraw/zinc/01/88/37/600018837.db2.gz SVALMMPUVMNMDD-SFHVURJKSA-N -1 1 340.423 3.715 20 0 EHADMM COc1ccc(CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000020875578 600038250 /nfs/dbraw/zinc/03/82/50/600038250.db2.gz IXZKYXCTTVHTPG-UHFFFAOYSA-N -1 1 337.375 3.943 20 0 EHADMM O=C([O-])c1cc(F)ccc1CSc1nc(-c2ccccc2F)n[nH]1 ZINC000740078886 600058269 /nfs/dbraw/zinc/05/82/69/600058269.db2.gz VYNGGTPWNKXZHH-UHFFFAOYSA-N -1 1 347.346 3.740 20 0 EHADMM CCC[C@@](C)(NCC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000736961617 600151521 /nfs/dbraw/zinc/15/15/21/600151521.db2.gz CGTIRIGEUWJQGT-HXUWFJFHSA-N -1 1 340.423 3.525 20 0 EHADMM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000325513199 600202088 /nfs/dbraw/zinc/20/20/88/600202088.db2.gz OHLJFCNCQZPNLK-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000261969858 600250888 /nfs/dbraw/zinc/25/08/88/600250888.db2.gz UGWNKZOXXMUDND-QGZVFWFLSA-N -1 1 344.386 3.546 20 0 EHADMM Cc1oc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000582970665 600440599 /nfs/dbraw/zinc/44/05/99/600440599.db2.gz PVCQWJDJDNADLB-CQSZACIVSA-N -1 1 345.370 3.520 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000738964925 600490916 /nfs/dbraw/zinc/49/09/16/600490916.db2.gz YXKNRKNEYSOQKB-SUMWQHHRSA-N -1 1 331.437 3.965 20 0 EHADMM COc1cc(C)c([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000831961631 600738341 /nfs/dbraw/zinc/73/83/41/600738341.db2.gz IOAUUGADLIKDQI-SGTLLEGYSA-N -1 1 347.386 3.628 20 0 EHADMM CC[C@]1(C)CCCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829043917 600848369 /nfs/dbraw/zinc/84/83/69/600848369.db2.gz IKHSIYWRWQIEPC-IFXJQAMLSA-N -1 1 332.444 3.532 20 0 EHADMM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC(CCC(=O)[O-])CC1 ZINC000568054410 601839351 /nfs/dbraw/zinc/83/93/51/601839351.db2.gz RZHNJEJCGYHUKG-AWEZNQCLSA-N -1 1 328.412 3.979 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC(CCC(=O)[O-])CC3)co2)cc1 ZINC000392063688 601840988 /nfs/dbraw/zinc/84/09/88/601840988.db2.gz KJUHDWRXYIQJNW-UHFFFAOYSA-N -1 1 328.412 3.727 20 0 EHADMM Cc1ccc(-c2n[nH]c(SCc3ccc(C(=O)[O-])s3)n2)cc1 ZINC000832907808 601891879 /nfs/dbraw/zinc/89/18/79/601891879.db2.gz NDQUQUBHPFJCQJ-UHFFFAOYSA-N -1 1 331.422 3.832 20 0 EHADMM CC(C)C[C@@H](CNC(=O)[O-])NCc1csc(-c2ccsc2)n1 ZINC000738809470 602570948 /nfs/dbraw/zinc/57/09/48/602570948.db2.gz GCVWYZKCOVWPHS-LBPRGKRZSA-N -1 1 339.486 3.644 20 0 EHADMM O=C([O-])N1CCC(N(Cc2csc(-c3ccoc3)n2)C2CC2)CC1 ZINC000740508628 602648249 /nfs/dbraw/zinc/64/82/49/602648249.db2.gz UNNHQYQZFDGIMK-UHFFFAOYSA-N -1 1 347.440 3.510 20 0 EHADMM Cc1ccccc1-c1cnc(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)o1 ZINC000830545646 604254505 /nfs/dbraw/zinc/25/45/05/604254505.db2.gz LCYRYIHAWFTTET-LSDHHAIUSA-N -1 1 343.427 3.518 20 0 EHADMM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000826102547 604707442 /nfs/dbraw/zinc/70/74/42/604707442.db2.gz BFVCNNANBSSPOZ-OAHLLOKOSA-N -1 1 347.798 3.628 20 0 EHADMM Cc1ccc(-c2nc(CN(C[C@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000832907114 604743649 /nfs/dbraw/zinc/74/36/49/604743649.db2.gz HZHVJNLRYBSMMW-ZDUSSCGKSA-N -1 1 330.453 3.804 20 0 EHADMM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1Cl ZINC000827716947 604985586 /nfs/dbraw/zinc/98/55/86/604985586.db2.gz CIUNMWVWOAKASX-OTYXRUKQSA-N -1 1 325.195 3.865 20 0 EHADMM C[C@@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000833540545 605115660 /nfs/dbraw/zinc/11/56/60/605115660.db2.gz MJDYTSCAVFFHRI-NEPJUHHUSA-N -1 1 335.350 3.668 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H](NCc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000833412970 605177667 /nfs/dbraw/zinc/17/76/67/605177667.db2.gz FSIRDRVENBGLND-KRWDZBQOSA-N -1 1 342.370 3.909 20 0 EHADMM COc1ccc2oc(CN3CCc4ccc(C(=O)[O-])cc4C3)cc2c1 ZINC000833735256 605546231 /nfs/dbraw/zinc/54/62/31/605546231.db2.gz WDOOGHODQPVQNL-UHFFFAOYSA-N -1 1 337.375 3.698 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Oc3ccccc3)o1)CC2 ZINC000833771711 605727696 /nfs/dbraw/zinc/72/76/96/605727696.db2.gz NNMOGJOGHNRXTB-MRXNPFEDSA-N -1 1 327.380 3.759 20 0 EHADMM O=C([O-])N[C@@H]1C[C@H](N[C@H]2CSc3ccccc32)c2ccccc21 ZINC000834160246 605800708 /nfs/dbraw/zinc/80/07/08/605800708.db2.gz SZOPCKUPGTZNTG-XHSDSOJGSA-N -1 1 326.421 3.877 20 0 EHADMM CC(C)OCc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000820146610 606460110 /nfs/dbraw/zinc/46/01/10/606460110.db2.gz OZCAFGYFSKJKLD-UHFFFAOYSA-N -1 1 344.806 3.584 20 0 EHADMM CC(C)OCc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000820146610 606460111 /nfs/dbraw/zinc/46/01/11/606460111.db2.gz OZCAFGYFSKJKLD-UHFFFAOYSA-N -1 1 344.806 3.584 20 0 EHADMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820937706 606504623 /nfs/dbraw/zinc/50/46/23/606504623.db2.gz CDRHWEOGJFMLPY-ZDUSSCGKSA-N -1 1 341.440 3.542 20 0 EHADMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820937706 606504625 /nfs/dbraw/zinc/50/46/25/606504625.db2.gz CDRHWEOGJFMLPY-ZDUSSCGKSA-N -1 1 341.440 3.542 20 0 EHADMM c1csc([C@@H](Cc2ccccc2)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826520550 607900485 /nfs/dbraw/zinc/90/04/85/607900485.db2.gz LYIRSRIWIKUANN-OAHLLOKOSA-N -1 1 348.435 3.719 20 0 EHADMM c1csc([C@@H](Cc2ccccc2)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826520550 607900486 /nfs/dbraw/zinc/90/04/86/607900486.db2.gz LYIRSRIWIKUANN-OAHLLOKOSA-N -1 1 348.435 3.719 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C[C@H]2C=CCC2)c(-c2nnn[n-]2)s1 ZINC000824129649 607929155 /nfs/dbraw/zinc/92/91/55/607929155.db2.gz CUGTZJRYBQTBKV-JTQLQIEISA-N -1 1 331.445 3.521 20 0 EHADMM CC(C)(C)c1cc(NC(=O)C[C@H]2C=CCC2)c(-c2nn[n-]n2)s1 ZINC000824129649 607929156 /nfs/dbraw/zinc/92/91/56/607929156.db2.gz CUGTZJRYBQTBKV-JTQLQIEISA-N -1 1 331.445 3.521 20 0 EHADMM CC(C)(C)c1cc(NC(=O)CC2CCCC2)c(-c2nnn[n-]2)s1 ZINC000824129604 607930050 /nfs/dbraw/zinc/93/00/50/607930050.db2.gz AEGMQKLHYTUJES-UHFFFAOYSA-N -1 1 333.461 3.745 20 0 EHADMM CC(C)(C)c1cc(NC(=O)CC2CCCC2)c(-c2nn[n-]n2)s1 ZINC000824129604 607930051 /nfs/dbraw/zinc/93/00/51/607930051.db2.gz AEGMQKLHYTUJES-UHFFFAOYSA-N -1 1 333.461 3.745 20 0 EHADMM CCC(C)(C)CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825039172 608346946 /nfs/dbraw/zinc/34/69/46/608346946.db2.gz NOUPOAIRJLCEFK-UHFFFAOYSA-N -1 1 335.477 3.991 20 0 EHADMM CCC(C)(C)CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825039172 608346948 /nfs/dbraw/zinc/34/69/48/608346948.db2.gz NOUPOAIRJLCEFK-UHFFFAOYSA-N -1 1 335.477 3.991 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000824899748 946979901 /nfs/dbraw/zinc/97/99/01/946979901.db2.gz NSIKEJLEWSFJJN-VHSXEESVSA-N -1 1 333.461 3.600 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899748 946979911 /nfs/dbraw/zinc/97/99/11/946979911.db2.gz NSIKEJLEWSFJJN-VHSXEESVSA-N -1 1 333.461 3.600 20 0 EHADMM CC[C@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC001589585460 949043224 /nfs/dbraw/zinc/04/32/24/949043224.db2.gz JGHMCYZXPIMKDG-QGZVFWFLSA-N -1 1 344.480 3.715 20 0 EHADMM C[C@H]1CCCC[C@@H]1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001576171080 949747244 /nfs/dbraw/zinc/74/72/44/949747244.db2.gz OCZJEJKNFOOMRL-VHSXEESVSA-N -1 1 340.353 3.519 20 0 EHADMM C[C@H]1CCCC[C@@H]1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001576171080 949747254 /nfs/dbraw/zinc/74/72/54/949747254.db2.gz OCZJEJKNFOOMRL-VHSXEESVSA-N -1 1 340.353 3.519 20 0 EHADMM CCCCc1nc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2[nH]1 ZINC001589668161 949917415 /nfs/dbraw/zinc/91/74/15/949917415.db2.gz YVWIFLFSBMKLIJ-KRWDZBQOSA-N -1 1 343.427 3.735 20 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JHVNUKCOBSFIPQ-ZDUSSCGKSA-N -1 1 334.441 3.788 20 0 EHADMM O=C([O-])c1cccc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC001332421330 961568065 /nfs/dbraw/zinc/56/80/65/961568065.db2.gz YLVRNIJPQYBFDM-MSOLQXFVSA-N -1 1 329.371 3.534 20 0 EHADMM CC(C)Cn1nccc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001588912810 962329011 /nfs/dbraw/zinc/32/90/11/962329011.db2.gz SVVXIBFOCAMGFD-UHFFFAOYSA-N -1 1 341.455 3.617 20 0 EHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000263061043 967841302 /nfs/dbraw/zinc/84/13/02/967841302.db2.gz MSKHCZWPOXPARC-GXSJLCMTSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1Br ZINC000263532190 1020506979 /nfs/dbraw/zinc/50/69/79/1020506979.db2.gz XDGIQFSPZJGYLP-NXEZZACHSA-N -1 1 346.652 3.788 20 0 EHADMM CC1(C)CO[C@H](c2cccc(F)c2)CN1CCC1(C(=O)[O-])CCC1 ZINC000903707463 969594763 /nfs/dbraw/zinc/59/47/63/969594763.db2.gz YMOVFHJJTCSLJC-INIZCTEOSA-N -1 1 335.419 3.623 20 0 EHADMM CCOc1cccc(F)c1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000905013176 969608452 /nfs/dbraw/zinc/60/84/52/969608452.db2.gz QHNUKDYPVCXIPP-WMLDXEAASA-N -1 1 329.371 3.627 20 0 EHADMM Cc1cc(C)cc([C@H](NCc2cnc(-c3ccccc3)[nH]2)C(=O)[O-])c1 ZINC000426756707 974045188 /nfs/dbraw/zinc/04/51/88/974045188.db2.gz MAKJUCMRKFBUCJ-SFHVURJKSA-N -1 1 335.407 3.609 20 0 EHADMM CN(CCOc1ccc(C(F)(F)F)cc1)Cc1occc1C(=O)[O-] ZINC000519639990 974331548 /nfs/dbraw/zinc/33/15/48/974331548.db2.gz GRZMMSAVGGXTSK-UHFFFAOYSA-N -1 1 343.301 3.507 20 0 EHADMM CS[C@@H]1CCCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000567359271 974632693 /nfs/dbraw/zinc/63/26/93/974632693.db2.gz OYLADULBDIERER-MRXNPFEDSA-N -1 1 346.452 3.757 20 0 EHADMM CS[C@H]1CCCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000567359270 974632984 /nfs/dbraw/zinc/63/29/84/974632984.db2.gz OYLADULBDIERER-INIZCTEOSA-N -1 1 346.452 3.757 20 0 EHADMM O=C([O-])c1ccc(F)c2c1CN(CCSCc1ccccc1)CC2 ZINC000600674448 975005333 /nfs/dbraw/zinc/00/53/33/975005333.db2.gz MZYXGRMZBVLFIL-UHFFFAOYSA-N -1 1 345.439 3.815 20 0 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VZSWWFBQDLXCKT-MRXNPFEDSA-N -1 1 325.767 3.893 20 0 EHADMM CC1(C)[C@@H](c2ccccc2F)CCN1Cc1nc(C(=O)[O-])cs1 ZINC000872164436 980058201 /nfs/dbraw/zinc/05/82/01/980058201.db2.gz ICQRBGRZYSMEPO-GFCCVEGCSA-N -1 1 334.416 3.749 20 0 EHADMM CC[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccccc1OC ZINC001595280729 980325952 /nfs/dbraw/zinc/32/59/52/980325952.db2.gz BITUMXLEEQSFNT-YOEHRIQHSA-N -1 1 343.423 3.961 20 0 EHADMM C[C@H](Cc1ccsc1)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000901586349 980393073 /nfs/dbraw/zinc/39/30/73/980393073.db2.gz GQEUSEKVVLBGHJ-GFCCVEGCSA-N -1 1 340.448 3.917 20 0 EHADMM CC[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(OC)c(OC)c1 ZINC001595301135 980436836 /nfs/dbraw/zinc/43/68/36/980436836.db2.gz WOFBOSJPPRSELS-YHWKNFMLSA-N -1 1 345.395 3.636 20 0 EHADMM O=C([O-])[C@@H](CC(F)(F)F)NCc1cc(C(F)(F)F)ccc1Cl ZINC000901779227 980509872 /nfs/dbraw/zinc/50/98/72/980509872.db2.gz IHSJOPQUVWHXNV-SECBINFHSA-N -1 1 349.658 3.854 20 0 EHADMM Cc1ccc(-c2ccc(CN[C@@H](C[C@@H]3CCCOC3)C(=O)[O-])o2)cc1 ZINC000901931686 980636534 /nfs/dbraw/zinc/63/65/34/980636534.db2.gz XJIXVWIDPTTZDA-YJBOKZPZSA-N -1 1 343.423 3.615 20 0 EHADMM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CCS1 ZINC000902281767 980815543 /nfs/dbraw/zinc/81/55/43/980815543.db2.gz LEWYYXUJQWBGDH-GFCCVEGCSA-N -1 1 333.375 3.731 20 0 EHADMM COc1cc(CN2CCCC2(C)C)c(Br)cc1C(=O)[O-] ZINC000903890974 981023538 /nfs/dbraw/zinc/02/35/38/981023538.db2.gz HLVPFTHBZDJCJB-UHFFFAOYSA-N -1 1 342.233 3.530 20 0 EHADMM C[C@@H](c1ccc(F)cc1F)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923938 981040785 /nfs/dbraw/zinc/04/07/85/981040785.db2.gz DXBKYQVGWNGTIJ-UWVGGRQHSA-N -1 1 338.379 3.670 20 0 EHADMM Cc1ccnc(C2CCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)n1 ZINC000903962337 981078329 /nfs/dbraw/zinc/07/83/29/981078329.db2.gz NQWVEOYNEBHGAN-UHFFFAOYSA-N -1 1 345.830 3.516 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC(C)C)cc1 ZINC000471138249 1014723697 /nfs/dbraw/zinc/72/36/97/1014723697.db2.gz WNTPLFYKLHCUQM-UHFFFAOYSA-N -1 1 337.466 3.997 20 0 EHADMM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000910359998 981890733 /nfs/dbraw/zinc/89/07/33/981890733.db2.gz RNBKMNGZACWJCC-APPDUMDISA-N -1 1 349.390 3.566 20 0 EHADMM CCCN(CCC)c1ccc(NC[C@@H]2[C@@H](C(=O)[O-])C2(F)F)cc1 ZINC001595880146 982887365 /nfs/dbraw/zinc/88/73/65/982887365.db2.gz YINOOEPYNGWDJH-CABCVRRESA-N -1 1 326.387 3.691 20 0 EHADMM CCN(Cc1c[nH]c2ccccc12)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001596354454 983819051 /nfs/dbraw/zinc/81/90/51/983819051.db2.gz RLMOKDKIZCIPIO-UHFFFAOYSA-N -1 1 348.406 3.695 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC001599942734 985475024 /nfs/dbraw/zinc/47/50/24/985475024.db2.gz BSFBEQHFTVUPNK-SCLBCKFNSA-N -1 1 340.423 3.642 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@H](C(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599943361 985483446 /nfs/dbraw/zinc/48/34/46/985483446.db2.gz BRELKVJDYUKXHU-GJZGRUSLSA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(C(=O)CN(Cc2ccccc2)CC(C)C)c(C)c1C(=O)[O-] ZINC001599943787 985489990 /nfs/dbraw/zinc/48/99/90/985489990.db2.gz FGYLWCSFTCVKFA-UHFFFAOYSA-N -1 1 342.439 3.671 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001599945281 985516477 /nfs/dbraw/zinc/51/64/77/985516477.db2.gz OXUBRVGGEAOJGE-ZIAGYGMSSA-N -1 1 334.460 3.659 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC001599960134 985765377 /nfs/dbraw/zinc/76/53/77/985765377.db2.gz HOLOWIOVPYQOLD-KRWDZBQOSA-N -1 1 342.439 3.971 20 0 EHADMM CCOCCN(Cc1occc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC001596928772 986005436 /nfs/dbraw/zinc/00/54/36/986005436.db2.gz BNRUNJTXUMEWCN-QGZVFWFLSA-N -1 1 329.396 3.504 20 0 EHADMM CCSc1cccc(CNCc2ccccc2O[C@H](C)C(=O)[O-])c1 ZINC001597277218 987334045 /nfs/dbraw/zinc/33/40/45/987334045.db2.gz KCIPMSWDHGEOFL-CQSZACIVSA-N -1 1 345.464 3.940 20 0 EHADMM CSc1ccc(CN2CCC(c3cc(C(=O)[O-])on3)CC2)s1 ZINC001599813388 988377358 /nfs/dbraw/zinc/37/73/58/988377358.db2.gz RSZSNSMDZJETPU-UHFFFAOYSA-N -1 1 338.454 3.536 20 0 EHADMM CSc1ccccc1CN(C)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001599824228 988568856 /nfs/dbraw/zinc/56/88/56/988568856.db2.gz RYDRBABJWMAIJA-CQSZACIVSA-N -1 1 345.464 3.892 20 0 EHADMM CCc1n[nH]c(S[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)n1 ZINC001597736339 989085633 /nfs/dbraw/zinc/08/56/33/989085633.db2.gz SOLLBUNFYAACKX-JTQLQIEISA-N -1 1 332.212 3.592 20 0 EHADMM CCc1nc(S[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)n[nH]1 ZINC001597736339 989085642 /nfs/dbraw/zinc/08/56/42/989085642.db2.gz SOLLBUNFYAACKX-JTQLQIEISA-N -1 1 332.212 3.592 20 0 EHADMM C[C@@H]1C[C@@H](NCc2[nH]cc(C(=O)[O-])c2C2CC2)c2ccccc2O1 ZINC001599871325 989354437 /nfs/dbraw/zinc/35/44/37/989354437.db2.gz ZQTLMRCRFYXXDM-IAQYHMDHSA-N -1 1 326.396 3.592 20 0 EHADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1oc(Br)cc1C(=O)[O-] ZINC001591096835 991695758 /nfs/dbraw/zinc/69/57/58/991695758.db2.gz VOTROTJBPUKDIF-BXUZGUMPSA-N -1 1 344.249 3.853 20 0 EHADMM CC(C)C[C@H]1CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001591207679 992044186 /nfs/dbraw/zinc/04/41/86/992044186.db2.gz VYLZAJVHEZTIDK-LLVKDONJSA-N -1 1 344.249 3.998 20 0 EHADMM O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1cncc([O-])c1 ZINC000339822673 1015702751 /nfs/dbraw/zinc/70/27/51/1015702751.db2.gz OQAGEYHTESUIEY-IBGZPJMESA-N -1 1 346.386 3.708 20 0 EHADMM CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)Cc1ccc(O)cc1 ZINC001598518850 992653137 /nfs/dbraw/zinc/65/31/37/992653137.db2.gz COGBIIBDFGNJJI-UHFFFAOYSA-N -1 1 337.375 3.982 20 0 EHADMM CN(Cc1csc(CCc2ccccc2)n1)C(C)(C)CC(=O)[O-] ZINC001598536077 992840971 /nfs/dbraw/zinc/84/09/71/992840971.db2.gz JVUKVBTWPVSQGA-UHFFFAOYSA-N -1 1 332.469 3.613 20 0 EHADMM CC(C)N(Cc1cccs1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001591604157 992841946 /nfs/dbraw/zinc/84/19/46/992841946.db2.gz KONKWRDDNHFKEF-UHFFFAOYSA-N -1 1 329.425 3.664 20 0 EHADMM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cncc([O-])c1 ZINC000339881384 1015808186 /nfs/dbraw/zinc/80/81/86/1015808186.db2.gz VGEYURUDMRURPP-UHFFFAOYSA-N -1 1 340.301 3.847 20 0 EHADMM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000339889678 1015829948 /nfs/dbraw/zinc/82/99/48/1015829948.db2.gz AOAKUJVXSVXYBL-UHFFFAOYSA-N -1 1 332.403 3.938 20 0 EHADMM C[C@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1cc(C(=O)[O-])cs1 ZINC001593208308 994224101 /nfs/dbraw/zinc/22/41/01/994224101.db2.gz AUPDXVLSXXDMJP-SJCJKPOMSA-N -1 1 341.436 3.620 20 0 EHADMM COc1cccc(-c2ccc(CNCc3ccoc3C(=O)[O-])cc2)c1 ZINC001599639613 994338593 /nfs/dbraw/zinc/33/85/93/994338593.db2.gz QEYROVNKHDISNU-UHFFFAOYSA-N -1 1 337.375 3.943 20 0 EHADMM CCN(C(=O)c1cncc([O-])c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000339899292 1015862810 /nfs/dbraw/zinc/86/28/10/1015862810.db2.gz CRCHYEZXENEEQH-GOSISDBHSA-N -1 1 330.403 3.656 20 0 EHADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc(F)cc1 ZINC000047417327 1015865540 /nfs/dbraw/zinc/86/55/40/1015865540.db2.gz WJUFVFUQUOFLAE-UHFFFAOYSA-N -1 1 334.397 3.750 20 0 EHADMM C[C@](NCc1ccncc1F)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593310369 994772971 /nfs/dbraw/zinc/77/29/71/994772971.db2.gz HVJPMZQFFFEKFH-OAHLLOKOSA-N -1 1 343.185 3.617 20 0 EHADMM C[C@@H](NCc1cnc(C(=O)[O-])cn1)c1ccc(Cl)c2ccccc21 ZINC001593311424 994782623 /nfs/dbraw/zinc/78/26/23/994782623.db2.gz PRHGALXKOIPDFO-LLVKDONJSA-N -1 1 341.798 3.832 20 0 EHADMM C[C@@H](NCc1ccsc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001593311747 994787133 /nfs/dbraw/zinc/78/71/33/994787133.db2.gz UAWQJTTZQCAUGF-SNVBAGLBSA-N -1 1 325.817 3.716 20 0 EHADMM C[C@H](Oc1ccc(CN2CC[C@](F)(c3ccccc3)C2)cc1)C(=O)[O-] ZINC001593615686 995836672 /nfs/dbraw/zinc/83/66/72/995836672.db2.gz OVKPNIVQKQLQPV-MGPUTAFESA-N -1 1 343.398 3.609 20 0 EHADMM C[C@H](Oc1ccccc1CN[C@@H]1C[C@@H](C)Oc2ccccc21)C(=O)[O-] ZINC001593647973 995995298 /nfs/dbraw/zinc/99/52/98/995995298.db2.gz FPDQXPCDBLHVEA-JKIFEVAISA-N -1 1 341.407 3.540 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC001599499145 997080066 /nfs/dbraw/zinc/08/00/66/997080066.db2.gz TYODCMAECDZFGQ-ZWNOBZJWSA-N -1 1 331.334 3.556 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1CCC[C@H]1c1cccc(F)c1 ZINC001599500253 997105081 /nfs/dbraw/zinc/10/50/81/997105081.db2.gz NSKIYHBWEKDEKO-KRWDZBQOSA-N -1 1 329.371 3.870 20 0 EHADMM CC1(C)Cc2nc(CN3CCC[C@@H]4C[C@@]43C(=O)[O-])sc2C(C)(C)C1 ZINC001593968162 997117717 /nfs/dbraw/zinc/11/77/17/997117717.db2.gz BPFQNIUHAFPXJV-BLVKFPJESA-N -1 1 348.512 3.832 20 0 EHADMM COc1ccc(C2CC2)cc1CN[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001599539054 997800347 /nfs/dbraw/zinc/80/03/47/997800347.db2.gz LVKMZTGRNPVKNH-LBPRGKRZSA-N -1 1 326.396 3.517 20 0 EHADMM C[C@]1(c2ccccc2)CCCN(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001594079528 997968354 /nfs/dbraw/zinc/96/83/54/997968354.db2.gz GMYUGMRQZDDWNN-SFHVURJKSA-N -1 1 330.453 3.785 20 0 EHADMM C[C@@]12CCN(Cc3ccc(F)cc3C(=O)[O-])C[C@@H]1C2(Cl)Cl ZINC001594088102 998023894 /nfs/dbraw/zinc/02/38/94/998023894.db2.gz OWVBLDGMLJZQGA-GXTWGEPZSA-N -1 1 332.202 3.540 20 0 EHADMM CN(CCOc1ccccc1C(=O)[O-])Cc1ccc(Cl)s1 ZINC000048985029 1016529625 /nfs/dbraw/zinc/52/96/25/1016529625.db2.gz ZLACWSZSTQUCEG-UHFFFAOYSA-N -1 1 325.817 3.611 20 0 EHADMM CC(C)N(C)C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430403456 1016748734 /nfs/dbraw/zinc/74/87/34/1016748734.db2.gz AMGHVFSTQCPEID-UHFFFAOYSA-N -1 1 336.391 3.801 20 0 EHADMM CCCCNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430407189 1016816001 /nfs/dbraw/zinc/81/60/01/1016816001.db2.gz VVSKYWJLKRIRQB-UHFFFAOYSA-N -1 1 336.391 3.850 20 0 EHADMM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181100799 1016915659 /nfs/dbraw/zinc/91/56/59/1016915659.db2.gz JWKGLYPKPMOCKB-UHFFFAOYSA-N -1 1 330.359 3.768 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000340327149 1016950123 /nfs/dbraw/zinc/95/01/23/1016950123.db2.gz AUVOMEALTKEQLH-UHFFFAOYSA-N -1 1 339.326 3.711 20 0 EHADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340332026 1016961157 /nfs/dbraw/zinc/96/11/57/1016961157.db2.gz YVWPINTWHBWUFR-SNVBAGLBSA-N -1 1 348.399 3.609 20 0 EHADMM CCOc1ccccc1OCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000340331347 1016956130 /nfs/dbraw/zinc/95/61/30/1016956130.db2.gz VGJPBSXVKGHLJM-UHFFFAOYSA-N -1 1 333.359 3.728 20 0 EHADMM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2F)n1 ZINC000340331736 1016956352 /nfs/dbraw/zinc/95/63/52/1016956352.db2.gz YNHZFBAKTOTPSF-UHFFFAOYSA-N -1 1 343.333 3.725 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1F ZINC000538299155 1032279618 /nfs/dbraw/zinc/27/96/18/1032279618.db2.gz RWZQNXNBNRRYPS-UHFFFAOYSA-N -1 1 341.429 3.665 20 0 EHADMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c(C)c1 ZINC000538516734 1032408057 /nfs/dbraw/zinc/40/80/57/1032408057.db2.gz OWLZZVQTVDXRQW-ZDUSSCGKSA-N -1 1 331.441 3.535 20 0 EHADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(COC)cc2)c1 ZINC000536992623 1032464951 /nfs/dbraw/zinc/46/49/51/1032464951.db2.gz PDOAYJHZXBGNCA-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cc(-c3ccc(OC)cc3)no2)n1 ZINC000683454261 1017223001 /nfs/dbraw/zinc/22/30/01/1017223001.db2.gz GPDPCNSZHSQDQH-UHFFFAOYSA-N -1 1 343.408 3.701 20 0 EHADMM COc1ccc2c(ccn2Cc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000683592476 1017571123 /nfs/dbraw/zinc/57/11/23/1017571123.db2.gz DIEXWMSKKIXSFC-UHFFFAOYSA-N -1 1 339.326 3.593 20 0 EHADMM Cc1cnc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c([O-])c1 ZINC000547972574 1017823640 /nfs/dbraw/zinc/82/36/40/1017823640.db2.gz KIJILFXXRAPSJW-GFCCVEGCSA-N -1 1 348.805 3.735 20 0 EHADMM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1nccs1 ZINC000683729872 1018230239 /nfs/dbraw/zinc/23/02/39/1018230239.db2.gz CNMZRYPZDYERFU-UHFFFAOYSA-N -1 1 338.344 3.966 20 0 EHADMM CC[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1F ZINC000129092565 1018915723 /nfs/dbraw/zinc/91/57/23/1018915723.db2.gz SMCUTGUQFDPLPP-INIZCTEOSA-N -1 1 342.345 3.687 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)c(Br)c2)C1 ZINC000263055820 1019429522 /nfs/dbraw/zinc/42/95/22/1019429522.db2.gz LOTYXGGLEYMKGM-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433652088 1019476002 /nfs/dbraw/zinc/47/60/02/1019476002.db2.gz YKVSYTNQYGAJPY-UHFFFAOYSA-N -1 1 346.699 3.631 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CSc2ccccc21 ZINC000345295874 1020134950 /nfs/dbraw/zinc/13/49/50/1020134950.db2.gz KCWJYLJNMUHYRG-CQSZACIVSA-N -1 1 337.404 3.610 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCn2cncc2C1 ZINC001167445448 1020420468 /nfs/dbraw/zinc/42/04/68/1020420468.db2.gz XVLGGTGHBZYHTI-NSHDSACASA-N -1 1 341.798 3.596 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@H](C)c3cccc(C)c3)[nH][n-]2)s1 ZINC000606931336 1032918151 /nfs/dbraw/zinc/91/81/51/1032918151.db2.gz QLUZVJIJMOULIE-CYBMUJFWSA-N -1 1 325.437 3.919 20 0 EHADMM C[C@H]1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C[C@@H]1C(=O)[O-] ZINC000581250162 1020584561 /nfs/dbraw/zinc/58/45/61/1020584561.db2.gz AHKMZTUJSLSNJV-JQWIXIFHSA-N -1 1 345.270 3.602 20 0 EHADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cs1 ZINC000050925786 1020722093 /nfs/dbraw/zinc/72/20/93/1020722093.db2.gz MGNLRDSDHHHVSR-NSHDSACASA-N -1 1 332.263 3.730 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](NCc2cccc(OC3CC3)c2F)c2ccccc21 ZINC000656566556 1020934300 /nfs/dbraw/zinc/93/43/00/1020934300.db2.gz OETZYDRSWHTGNH-SJORKVTESA-N -1 1 341.382 3.770 20 0 EHADMM O=C([O-])C[C@H](NCc1cc(F)ccc1OC(F)F)c1cccs1 ZINC000656574018 1020936300 /nfs/dbraw/zinc/93/63/00/1020936300.db2.gz SORYOLXWXGHZEW-NSHDSACASA-N -1 1 345.342 3.794 20 0 EHADMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000656617663 1021034188 /nfs/dbraw/zinc/03/41/88/1021034188.db2.gz AZYWXMNDXZUHSK-ZDUSSCGKSA-N -1 1 349.452 3.987 20 0 EHADMM C[C@@H]1CN(Cc2ccc(Br)cc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000581554157 1021080566 /nfs/dbraw/zinc/08/05/66/1021080566.db2.gz VRQMINIUNHGYDM-YMTOWFKASA-N -1 1 346.652 3.645 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000436783084 1021224124 /nfs/dbraw/zinc/22/41/24/1021224124.db2.gz QCKGLSOKSMJCAQ-UHFFFAOYSA-N -1 1 342.345 3.740 20 0 EHADMM CC(C)(c1nc(-c2ccc([O-])c(F)c2)no1)c1ccc2c(c1)OCO2 ZINC000436785590 1021227846 /nfs/dbraw/zinc/22/78/46/1021227846.db2.gz VVIXZWXRJHMXTD-UHFFFAOYSA-N -1 1 342.326 3.636 20 0 EHADMM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000436831706 1021265347 /nfs/dbraw/zinc/26/53/47/1021265347.db2.gz GAWNJJAIAJWRGS-MRXNPFEDSA-N -1 1 337.778 3.644 20 0 EHADMM CC(C)(c1nnc(NC(=O)c2ccccc2[O-])s1)c1ccccc1 ZINC000436822048 1021273773 /nfs/dbraw/zinc/27/37/73/1021273773.db2.gz ZTMYUDNLSMFYEA-UHFFFAOYSA-N -1 1 339.420 3.822 20 0 EHADMM COCC[C@@H](Cc1ccco1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436841362 1021286119 /nfs/dbraw/zinc/28/61/19/1021286119.db2.gz ZEQXZEBVMVQOIG-INIZCTEOSA-N -1 1 339.391 3.516 20 0 EHADMM CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436860205 1021297881 /nfs/dbraw/zinc/29/78/81/1021297881.db2.gz FOYTWWZPOODOPF-UHFFFAOYSA-N -1 1 338.190 3.540 20 0 EHADMM [O-]c1ccc(-c2noc(C(F)(F)C3CCOCC3)n2)c(Cl)c1 ZINC000436872931 1021314427 /nfs/dbraw/zinc/31/44/27/1021314427.db2.gz YAYKSURMFIXTMY-UHFFFAOYSA-N -1 1 330.718 3.614 20 0 EHADMM COc1ccc2c(c1)[C@H](c1nc(-c3ccc([O-])cc3F)no1)CC2 ZINC000436875986 1021318690 /nfs/dbraw/zinc/31/86/90/1021318690.db2.gz WFMPRZXFUJELJU-CYBMUJFWSA-N -1 1 326.327 3.668 20 0 EHADMM COc1cccc(C2(c3noc(-c4cc(F)ccc4[O-])n3)CC2)c1 ZINC000436887505 1021341844 /nfs/dbraw/zinc/34/18/44/1021341844.db2.gz QAIFQSVOIYNVCZ-UHFFFAOYSA-N -1 1 326.327 3.670 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C(C)C)no2)c1 ZINC000436891666 1021346635 /nfs/dbraw/zinc/34/66/35/1021346635.db2.gz GQSUEKMEWRBYOQ-UHFFFAOYSA-N -1 1 339.189 3.827 20 0 EHADMM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1c([O-])cccc1F ZINC000436930763 1021369270 /nfs/dbraw/zinc/36/92/70/1021369270.db2.gz IIZHDCAGETYVHK-GFCCVEGCSA-N -1 1 341.304 3.682 20 0 EHADMM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1c([O-])cccc1F)CC3 ZINC000436920734 1021378725 /nfs/dbraw/zinc/37/87/25/1021378725.db2.gz SPYOEWZKLAFXPI-GFCCVEGCSA-N -1 1 338.382 3.608 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)ccc1F ZINC000507606257 1021383648 /nfs/dbraw/zinc/38/36/48/1021383648.db2.gz ONBDLBRRNGZTGY-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc([O-])cc1F ZINC000436950262 1021392878 /nfs/dbraw/zinc/39/28/78/1021392878.db2.gz BIERYHMVOUXJGA-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436964748 1021412927 /nfs/dbraw/zinc/41/29/27/1021412927.db2.gz SFBCWXZUHOOXHE-RBUKOAKNSA-N -1 1 337.419 3.760 20 0 EHADMM CCCN(C(=O)c1ccc([O-])cc1F)[C@@H]1CCCc2cccnc21 ZINC000436956413 1021420710 /nfs/dbraw/zinc/42/07/10/1021420710.db2.gz RBBFSBNNHSNISZ-QGZVFWFLSA-N -1 1 328.387 3.856 20 0 EHADMM O=C(Nc1cccc(NC2CCCC2)c1)c1csc(=NC2CC2)[n-]1 ZINC000426378781 1021426699 /nfs/dbraw/zinc/42/66/99/1021426699.db2.gz HPSASIYBSWCWRB-UHFFFAOYSA-N -1 1 342.468 3.746 20 0 EHADMM CCCC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(OC)cc1 ZINC000436981873 1021436949 /nfs/dbraw/zinc/43/69/49/1021436949.db2.gz VTGHEIYEYVHRPU-GOSISDBHSA-N -1 1 341.407 3.631 20 0 EHADMM CC1(C)CC[C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436993832 1021451101 /nfs/dbraw/zinc/45/11/01/1021451101.db2.gz HTCHRIFNUPSTHZ-HNNXBMFYSA-N -1 1 337.419 3.546 20 0 EHADMM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000436985720 1021458506 /nfs/dbraw/zinc/45/85/06/1021458506.db2.gz FSIDHBXDMXYOOW-UHFFFAOYSA-N -1 1 346.255 3.897 20 0 EHADMM CCc1nc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)[n-]c(=O)c1C ZINC000516492662 1021475415 /nfs/dbraw/zinc/47/54/15/1021475415.db2.gz RCBBTHDFBHWEGC-JTQLQIEISA-N -1 1 342.424 3.555 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000188114160 1021825637 /nfs/dbraw/zinc/82/56/37/1021825637.db2.gz YLGOXCRIRBURBC-UHFFFAOYSA-N -1 1 330.453 3.605 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000188116324 1021829173 /nfs/dbraw/zinc/82/91/73/1021829173.db2.gz CEKCZKAEHBAHJQ-LBPRGKRZSA-N -1 1 345.468 3.575 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)ccc1F ZINC000519232111 1021947427 /nfs/dbraw/zinc/94/74/27/1021947427.db2.gz RIGCCWPUONKPPB-UHFFFAOYSA-N -1 1 337.416 3.860 20 0 EHADMM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1ccc(Cl)cc1C(F)(F)F ZINC000559181993 1021951124 /nfs/dbraw/zinc/95/11/24/1021951124.db2.gz ASNORSOZXGZVJY-VHSXEESVSA-N -1 1 345.745 3.528 20 0 EHADMM CC(C)N(Cc1ccco1)Cc1ncc(Br)cc1[O-] ZINC000891586935 1021993029 /nfs/dbraw/zinc/99/30/29/1021993029.db2.gz LVRKZYRPGSQSLR-UHFFFAOYSA-N -1 1 325.206 3.553 20 0 EHADMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000548283387 1022072089 /nfs/dbraw/zinc/07/20/89/1022072089.db2.gz VTJQKALFAZDDEB-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM Cc1ccc(C)c(OCC[N@H+]2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000517394096 1022301489 /nfs/dbraw/zinc/30/14/89/1022301489.db2.gz ATOWJVGABGMVLD-RBUKOAKNSA-N -1 1 339.435 3.973 20 0 EHADMM C[C@@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000517576650 1022457269 /nfs/dbraw/zinc/45/72/69/1022457269.db2.gz XFCIIHOVNYGMLD-QMTHXVAHSA-N -1 1 344.224 3.836 20 0 EHADMM O=C(N[C@@H]1CCc2ccccc21)c1ccc(Br)cc1[O-] ZINC000049447104 1022593880 /nfs/dbraw/zinc/59/38/80/1022593880.db2.gz WIGUNOHIXNJBKM-CQSZACIVSA-N -1 1 332.197 3.572 20 0 EHADMM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2SC)cc1F ZINC000188501910 1022666311 /nfs/dbraw/zinc/66/63/11/1022666311.db2.gz NSEYFLOVAFJURY-UHFFFAOYSA-N -1 1 341.429 3.665 20 0 EHADMM O=S(=O)([N-]C1(c2ccccc2)CCCC1)c1cc(F)ccc1F ZINC000506269477 1022755142 /nfs/dbraw/zinc/75/51/42/1022755142.db2.gz MIAOTZGMUKUYGJ-UHFFFAOYSA-N -1 1 337.391 3.713 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1ccc(F)cc1Cl ZINC000126838513 1022858132 /nfs/dbraw/zinc/85/81/32/1022858132.db2.gz OFASTTJTTWZWEZ-UHFFFAOYSA-N -1 1 343.811 3.661 20 0 EHADMM COCCn1ccc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc21 ZINC000518010733 1022926872 /nfs/dbraw/zinc/92/68/72/1022926872.db2.gz QGEBRAFECUIAKL-UHFFFAOYSA-N -1 1 346.333 3.524 20 0 EHADMM COc1ccc(CNCc2nc(C)c(C(=O)[O-])s2)c2ccccc12 ZINC000426707025 1022977367 /nfs/dbraw/zinc/97/73/67/1022977367.db2.gz ZEMRTXZFSMSLCD-UHFFFAOYSA-N -1 1 342.420 3.601 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1OC(F)F ZINC000438769818 1022982564 /nfs/dbraw/zinc/98/25/64/1022982564.db2.gz GCAVSRCPFIVJDH-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1Br ZINC000438772153 1022985794 /nfs/dbraw/zinc/98/57/94/1022985794.db2.gz LZPSCDDNPZKYBA-UHFFFAOYSA-N -1 1 332.244 3.620 20 0 EHADMM Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426759309 1023028392 /nfs/dbraw/zinc/02/83/92/1023028392.db2.gz MDDKHOQLXQVUAI-HNNXBMFYSA-N -1 1 325.742 3.842 20 0 EHADMM CC(C)(C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1F ZINC000426201477 1023084518 /nfs/dbraw/zinc/08/45/18/1023084518.db2.gz PGSDOQFZDMUTHR-UHFFFAOYSA-N -1 1 329.400 3.616 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000507024090 1023090960 /nfs/dbraw/zinc/09/09/60/1023090960.db2.gz ZRWYZXKUQBSFPP-UHFFFAOYSA-N -1 1 342.420 3.824 20 0 EHADMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426963414 1023139273 /nfs/dbraw/zinc/13/92/73/1023139273.db2.gz HIBOYRJJTZNVNM-WWGRRREGSA-N -1 1 341.480 3.546 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000193411237 1033110018 /nfs/dbraw/zinc/11/00/18/1033110018.db2.gz URUKDNGXFHPTRC-GFCCVEGCSA-N -1 1 346.386 3.531 20 0 EHADMM O=S(=O)([N-][C@@H](C1CCCC1)C(F)(F)F)c1ccccc1Cl ZINC000510799535 1023178808 /nfs/dbraw/zinc/17/88/08/1023178808.db2.gz SRRJOVOWHZZYEE-LBPRGKRZSA-N -1 1 341.782 3.739 20 0 EHADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)c(F)c1 ZINC000439056092 1023244753 /nfs/dbraw/zinc/24/47/53/1023244753.db2.gz JZJDFOJIRKQOPV-JTQLQIEISA-N -1 1 343.333 3.803 20 0 EHADMM O=C([O-])c1ccccc1CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000262104756 1023263192 /nfs/dbraw/zinc/26/31/92/1023263192.db2.gz DXGWGFKWKHXOCS-UHFFFAOYSA-N -1 1 349.390 3.710 20 0 EHADMM CCOc1cc(-c2nc(-c3nc(C)c(C)[nH]3)no2)cc(Cl)c1[O-] ZINC000665088760 1023287907 /nfs/dbraw/zinc/28/79/07/1023287907.db2.gz CWNUEHANYIDFNI-UHFFFAOYSA-N -1 1 334.763 3.501 20 0 EHADMM O=C(Nc1cccc(Oc2cnccn2)c1)c1c(F)ccc([O-])c1F ZINC000341828312 1023406227 /nfs/dbraw/zinc/40/62/27/1023406227.db2.gz SMWSWTTWVKDXQG-UHFFFAOYSA-N -1 1 343.289 3.505 20 0 EHADMM C[C@@H](CN(C)C(=O)c1ccc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC000458337614 1023960749 /nfs/dbraw/zinc/96/07/49/1023960749.db2.gz ALHSSFJBTJOENW-ZDUSSCGKSA-N -1 1 343.423 3.595 20 0 EHADMM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1cccc(C2CC2)n1 ZINC000520507387 1024019832 /nfs/dbraw/zinc/01/98/32/1024019832.db2.gz QBEAYKAKMVEKDV-UHFFFAOYSA-N -1 1 340.807 3.693 20 0 EHADMM CCc1ocnc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000443877710 1024080603 /nfs/dbraw/zinc/08/06/03/1024080603.db2.gz LHXGRETVDIKRTR-UHFFFAOYSA-N -1 1 331.116 3.530 20 0 EHADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000348532486 1024097576 /nfs/dbraw/zinc/09/75/76/1024097576.db2.gz PNAAOQBRZJRMLY-LJQANCHMSA-N -1 1 331.362 3.864 20 0 EHADMM CC1(C)CCC[C@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000389041870 1024196025 /nfs/dbraw/zinc/19/60/25/1024196025.db2.gz BBBGHLVTPHIHBG-NSHDSACASA-N -1 1 326.234 3.711 20 0 EHADMM Cc1c(=O)[n-]c(SCCO[C@@H]2CC2(F)F)nc1-c1ccccc1 ZINC000657256476 1024372898 /nfs/dbraw/zinc/37/28/98/1024372898.db2.gz CLTOUVOBVCJEHO-GFCCVEGCSA-N -1 1 338.379 3.674 20 0 EHADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000522366428 1024373309 /nfs/dbraw/zinc/37/33/09/1024373309.db2.gz XKLQPEGQWHZMKH-UHFFFAOYSA-N -1 1 345.827 3.674 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1 ZINC000032097595 1024482122 /nfs/dbraw/zinc/48/21/22/1024482122.db2.gz JCVZNDIHLDYAQI-UHFFFAOYSA-N -1 1 346.408 3.761 20 0 EHADMM O=S(=O)([N-]c1cc(-c2ccccc2)n[nH]1)c1ccccc1Cl ZINC000434974135 1024533441 /nfs/dbraw/zinc/53/34/41/1024533441.db2.gz QWDYKQWLJDHQNZ-UHFFFAOYSA-N -1 1 333.800 3.531 20 0 EHADMM Cc1n[n-]c(=NCc2ccc(-c3ccccc3F)s2)n1C1CC1 ZINC000340705297 1024608390 /nfs/dbraw/zinc/60/83/90/1024608390.db2.gz WLKJOEUTJCPLCI-UHFFFAOYSA-N -1 1 328.416 3.823 20 0 EHADMM COC(=O)c1cc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)cs1 ZINC000601088192 1024720949 /nfs/dbraw/zinc/72/09/49/1024720949.db2.gz MLHDQGXIGXTBIE-UHFFFAOYSA-N -1 1 336.438 3.508 20 0 EHADMM Cc1cnc(C(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c([O-])c1 ZINC000427838667 1024835718 /nfs/dbraw/zinc/83/57/18/1024835718.db2.gz JLTRSNMHDXUCEC-KRWDZBQOSA-N -1 1 338.451 3.924 20 0 EHADMM CCc1nc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)co1 ZINC000843602632 1025003450 /nfs/dbraw/zinc/00/34/50/1025003450.db2.gz VSKWYNHWKUGIMY-UHFFFAOYSA-N -1 1 349.164 3.952 20 0 EHADMM O=C([N-]c1c(F)cc(Br)cc1F)c1ocnc1C1CC1 ZINC000342364717 1025068291 /nfs/dbraw/zinc/06/82/91/1025068291.db2.gz DJYTWSBLZXUTBY-UHFFFAOYSA-N -1 1 343.127 3.845 20 0 EHADMM Cc1cccc(C)c1CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccn1 ZINC000450989116 1025130911 /nfs/dbraw/zinc/13/09/11/1025130911.db2.gz DEMIVTOIMANVBN-UHFFFAOYSA-N -1 1 344.358 3.659 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(Cl)c1 ZINC000515398364 1025211964 /nfs/dbraw/zinc/21/19/64/1025211964.db2.gz WLOYAGYMLFUGDF-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896220144 1025241636 /nfs/dbraw/zinc/24/16/36/1025241636.db2.gz 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UGWIIWMASLIXET-HNNXBMFYSA-N -1 1 348.830 3.760 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)CCc2ccc(O)cc2)cc(Cl)c1[O-] ZINC000154009483 1028975137 /nfs/dbraw/zinc/97/51/37/1028975137.db2.gz LFBJCEBDJYLPST-NSHDSACASA-N -1 1 349.814 3.511 20 0 EHADMM COc1c(Cl)cc(Cl)cc1CN1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424425727 1029047420 /nfs/dbraw/zinc/04/74/20/1029047420.db2.gz ZJMVIOSHVMKLMT-ZANVPECISA-N -1 1 332.227 3.687 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000150830400 1029245212 /nfs/dbraw/zinc/24/52/12/1029245212.db2.gz UNZILAZOBSFDEN-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM COc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc(OC)c1[O-] ZINC000067735342 1029319579 /nfs/dbraw/zinc/31/95/79/1029319579.db2.gz WKLALZODHPHVQM-NVNXTCNLSA-N -1 1 337.375 3.816 20 0 EHADMM O=C(CNC(=O)c1ccc2ccccc2c1[O-])C1CCC(F)(F)CC1 ZINC000424876522 1029409537 /nfs/dbraw/zinc/40/95/37/1029409537.db2.gz GMFOXXQIAMUDIL-UHFFFAOYSA-N -1 1 347.361 3.670 20 0 EHADMM CCOc1ccccc1C1=CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080022220 1029522542 /nfs/dbraw/zinc/52/25/42/1029522542.db2.gz XZOGTPLILRQVGN-UHFFFAOYSA-N -1 1 341.382 3.860 20 0 EHADMM C[C@@]1(c2ccccc2)CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000150879233 1029562008 /nfs/dbraw/zinc/56/20/08/1029562008.db2.gz VFUYXHZPCMTCES-QFIPXVFZSA-N -1 1 347.414 3.933 20 0 EHADMM Cc1cc(Br)c(CN2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000263409802 1029694472 /nfs/dbraw/zinc/69/44/72/1029694472.db2.gz LASOMGUWXCRFEF-CYBMUJFWSA-N -1 1 346.652 3.850 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(F)(C2CC2)CC1 ZINC000724831555 1029932896 /nfs/dbraw/zinc/93/28/96/1029932896.db2.gz LHLXALMTADHUCY-UHFFFAOYSA-N -1 1 342.208 3.509 20 0 EHADMM O=c1nc2nc[nH]c2c(NC2CCC(c3ccc(Cl)cc3)CC2)[n-]1 ZINC001168335622 1029941918 /nfs/dbraw/zinc/94/19/18/1029941918.db2.gz NMLMGPYMKAREOJ-UHFFFAOYSA-N -1 1 343.818 3.850 20 0 EHADMM COC(=O)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(C)(C)C ZINC000600532731 1029946796 /nfs/dbraw/zinc/94/67/96/1029946796.db2.gz ITEUUQCYLDMBNK-AWEZNQCLSA-N -1 1 346.452 3.837 20 0 EHADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1 ZINC000525956725 1030259340 /nfs/dbraw/zinc/25/93/40/1030259340.db2.gz MASXJNRWWCUYAF-UHFFFAOYSA-N -1 1 344.436 3.766 20 0 EHADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C)ccc12 ZINC000537653248 1030854680 /nfs/dbraw/zinc/85/46/80/1030854680.db2.gz VEMUXNUSFROENF-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C)ccc12 ZINC000537653248 1030854696 /nfs/dbraw/zinc/85/46/96/1030854696.db2.gz VEMUXNUSFROENF-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM COCCSc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000123238773 1031026925 /nfs/dbraw/zinc/02/69/25/1031026925.db2.gz JTUBIXBABBBWQF-GFCCVEGCSA-N -1 1 349.427 3.761 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1 ZINC000172888247 1031027035 /nfs/dbraw/zinc/02/70/35/1031027035.db2.gz CWYIRXOCCBMESG-UHFFFAOYSA-N -1 1 332.450 3.701 20 0 EHADMM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1F ZINC000551136933 1031058940 /nfs/dbraw/zinc/05/89/40/1031058940.db2.gz SETNSSVVWZLEGI-UHFFFAOYSA-N -1 1 343.782 3.586 20 0 EHADMM O=S(=O)([N-]Cc1ccc(C(F)F)cc1)c1cc(Cl)ccc1F ZINC000551209084 1031129565 /nfs/dbraw/zinc/12/95/65/1031129565.db2.gz GSYIKASIOFOFPP-UHFFFAOYSA-N -1 1 349.761 3.895 20 0 EHADMM COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477107400 1031251870 /nfs/dbraw/zinc/25/18/70/1031251870.db2.gz MKFABVYESSLXHI-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM COCCN(Cc1ccc(C)o1)C(=O)c1ccc2ccccc2c1[O-] ZINC000151387923 1031402624 /nfs/dbraw/zinc/40/26/24/1031402624.db2.gz RTJXISJXVGZDMD-UHFFFAOYSA-N -1 1 339.391 3.736 20 0 EHADMM C[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCN1c1ccccc1 ZINC000903956811 1031566514 /nfs/dbraw/zinc/56/65/14/1031566514.db2.gz HKCVADLFJGEBLN-CQSZACIVSA-N -1 1 344.842 3.749 20 0 EHADMM Cc1cc(F)ccc1-c1ccc(CN[C@H](C[C@H]2CCCO2)C(=O)[O-])o1 ZINC000904030524 1031637369 /nfs/dbraw/zinc/63/73/69/1031637369.db2.gz JOXCKGDOMBQEFK-RHSMWYFYSA-N -1 1 347.386 3.506 20 0 EHADMM O=C([O-])C[C@H](NCc1ccc(C(F)F)nc1)c1ccccc1Cl 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EHADMM CC(C)(NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1 ZINC000904213433 1031873089 /nfs/dbraw/zinc/87/30/89/1031873089.db2.gz HSTUNGVNZVYYGU-UHFFFAOYSA-N -1 1 342.439 3.606 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cccc([C@@H]4CCOC4)c3)n2)c(F)c1 ZINC000445460945 1031945768 /nfs/dbraw/zinc/94/57/68/1031945768.db2.gz UVXKFSIYLNKOSS-CYBMUJFWSA-N -1 1 326.327 3.752 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3ccccc3OC(F)F)n2)c(F)c1 ZINC000445463409 1032024588 /nfs/dbraw/zinc/02/45/88/1032024588.db2.gz PRFBMUNTKPLDEW-UHFFFAOYSA-N -1 1 336.269 3.774 20 0 EHADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)no1 ZINC000607772668 1033309547 /nfs/dbraw/zinc/30/95/47/1033309547.db2.gz ZHTJMHVGRBPIKR-UHFFFAOYSA-N -1 1 328.397 3.743 20 0 EHADMM O=S(=O)([N-][C@@H](CC1CC1)c1ccccc1)c1cc(F)ccc1F ZINC000608036601 1033447918 /nfs/dbraw/zinc/44/79/18/1033447918.db2.gz SOXNCUVLKUCFSZ-INIZCTEOSA-N -1 1 337.391 3.785 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc(C)c1F ZINC000761288876 1033475922 /nfs/dbraw/zinc/47/59/22/1033475922.db2.gz VDRAJWIOPAAMNL-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC000761288535 1033481013 /nfs/dbraw/zinc/48/10/13/1033481013.db2.gz PZSSAOXGFFACQU-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(Cl)c1 ZINC000594842703 1033531401 /nfs/dbraw/zinc/53/14/01/1033531401.db2.gz SJVOOYVTILXOOK-UHFFFAOYSA-N -1 1 343.770 3.697 20 0 EHADMM CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000608461207 1033716733 /nfs/dbraw/zinc/71/67/33/1033716733.db2.gz WLJVKLIDWMSHPX-HUUCEWRRSA-N -1 1 346.471 3.821 20 0 EHADMM CCOC(=O)c1csc(=N[C@H]2CCCC[C@H]2CC(F)(F)F)[n-]1 ZINC000450664001 1034660015 /nfs/dbraw/zinc/66/00/15/1034660015.db2.gz SXZVODRMIBKIHY-UWVGGRQHSA-N -1 1 336.379 3.665 20 0 EHADMM CC(C)Cn1ncc(C(=O)Nc2ccc([O-])c(F)c2F)c1C(F)F ZINC000456777632 1034723938 /nfs/dbraw/zinc/72/39/38/1034723938.db2.gz GDJXGYMVXCZNFR-UHFFFAOYSA-N -1 1 345.296 3.713 20 0 EHADMM C[C@@H]1CCCN(c2cc(C(=O)Nc3ccc([O-])c(F)c3F)ccn2)C1 ZINC000456783819 1034727543 /nfs/dbraw/zinc/72/75/43/1034727543.db2.gz LJGQMDOJVKPGCI-LLVKDONJSA-N -1 1 347.365 3.554 20 0 EHADMM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1c([O-])cccc1F ZINC000605435528 1034734007 /nfs/dbraw/zinc/73/40/07/1034734007.db2.gz GWCRKWJBYAZMDX-UHFFFAOYSA-N -1 1 333.407 3.572 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)C2CCCC2)c1 ZINC000172137694 1034836771 /nfs/dbraw/zinc/83/67/71/1034836771.db2.gz JXARPAGUDNQASD-ZDUSSCGKSA-N -1 1 344.484 3.611 20 0 EHADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc(C2CC2)cc1 ZINC000450967983 1034993987 /nfs/dbraw/zinc/99/39/87/1034993987.db2.gz JBCVHFPFCSUYLG-UHFFFAOYSA-N -1 1 342.464 3.965 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1Cl ZINC000451034932 1035035826 /nfs/dbraw/zinc/03/58/26/1035035826.db2.gz YUVBVIRHCUBZEH-UHFFFAOYSA-N -1 1 347.811 3.681 20 0 EHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1CCOc1c(Cl)cccc1Cl ZINC000530180170 1035050870 /nfs/dbraw/zinc/05/08/70/1035050870.db2.gz SYSGPYVTOMNPSR-GHMZBOCLSA-N -1 1 346.254 3.946 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3ncccc23)c(C)c1 ZINC000170047592 1035871428 /nfs/dbraw/zinc/87/14/28/1035871428.db2.gz DHJKQEUYAUHRGF-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000615219626 1035907655 /nfs/dbraw/zinc/90/76/55/1035907655.db2.gz BAMFAPFBOXCCTD-SEGBCRLWSA-N -1 1 343.349 3.511 20 0 EHADMM CC(=O)N(c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1)[C@H]1C[C@H]1C ZINC000647508859 1035985292 /nfs/dbraw/zinc/98/52/92/1035985292.db2.gz NCQHKFBPDZYGGF-DIFFPNOSSA-N -1 1 342.370 3.545 20 0 EHADMM O=C(C1CCCCC1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424926 1035987019 /nfs/dbraw/zinc/98/70/19/1035987019.db2.gz KCLCBHYBDZUNNY-UHFFFAOYSA-N -1 1 334.489 3.562 20 0 EHADMM CC(C)Oc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(Cl)c1 ZINC000457490804 1036166120 /nfs/dbraw/zinc/16/61/20/1036166120.db2.gz UQPHLEPWERBRRC-UHFFFAOYSA-N -1 1 348.712 3.516 20 0 EHADMM Cc1ccc(CCCCC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066650128 1036176086 /nfs/dbraw/zinc/17/60/86/1036176086.db2.gz HFNQYRVBRCHFEV-UHFFFAOYSA-N -1 1 346.500 3.859 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1c[nH]c2cc(Cl)ccc12 ZINC000588925524 1036184373 /nfs/dbraw/zinc/18/43/73/1036184373.db2.gz GPOWFSHMZMKILX-UHFFFAOYSA-N -1 1 342.811 3.947 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000190414911 1036239153 /nfs/dbraw/zinc/23/91/53/1036239153.db2.gz MMEGSXQJOAXRFD-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H](c2ccccc2)CO1 ZINC000175435224 1036379293 /nfs/dbraw/zinc/37/92/93/1036379293.db2.gz QCZQFPGJTQZWJF-WBMJQRKESA-N -1 1 331.799 3.648 20 0 EHADMM Cc1ccc([C@H]2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)cc1 ZINC000541526418 1036408323 /nfs/dbraw/zinc/40/83/23/1036408323.db2.gz GJWQFKSNWJSNLM-INIZCTEOSA-N -1 1 347.418 3.582 20 0 EHADMM Cc1ccc([C@H]2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)cc1 ZINC000541526418 1036408333 /nfs/dbraw/zinc/40/83/33/1036408333.db2.gz GJWQFKSNWJSNLM-INIZCTEOSA-N -1 1 347.418 3.582 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000589428889 1036424627 /nfs/dbraw/zinc/42/46/27/1036424627.db2.gz BRKLUBNYPHAEGC-UHFFFAOYSA-N -1 1 345.420 3.837 20 0 EHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000589435613 1036425732 /nfs/dbraw/zinc/42/57/32/1036425732.db2.gz GSKXPFJMTUXCDF-ZDUSSCGKSA-N -1 1 335.425 3.673 20 0 EHADMM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cn1 ZINC000589430537 1036427600 /nfs/dbraw/zinc/42/76/00/1036427600.db2.gz JLIPLMLVWAVILQ-UHFFFAOYSA-N -1 1 345.399 3.510 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(C)n1 ZINC000191777446 1036430010 /nfs/dbraw/zinc/43/00/10/1036430010.db2.gz BBCKJROCPJWVCN-UHFFFAOYSA-N -1 1 344.358 3.604 20 0 EHADMM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000057125782 1036694590 /nfs/dbraw/zinc/69/45/90/1036694590.db2.gz MXQKBABBXSTBIA-ZHACJKMWSA-N -1 1 342.420 3.678 20 0 EHADMM COc1ccc(-c2nsc([N-]C(=O)c3c(F)cccc3F)n2)cc1 ZINC000103035158 1036809221 /nfs/dbraw/zinc/80/92/21/1036809221.db2.gz CGOCIKZLKWZDOG-UHFFFAOYSA-N -1 1 347.346 3.744 20 0 EHADMM Cc1ccc2c([n-]cc(C(=O)N3CC[C@H](c4ccccc4)[C@H]3C)c2=O)[nH+]1 ZINC000176520682 1037014289 /nfs/dbraw/zinc/01/42/89/1037014289.db2.gz GNACFBQAXLRJAH-ZBFHGGJFSA-N -1 1 347.418 3.662 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](c4ccccc4)[C@H]3C)cnc2n1 ZINC000176520682 1037014307 /nfs/dbraw/zinc/01/43/07/1037014307.db2.gz GNACFBQAXLRJAH-ZBFHGGJFSA-N -1 1 347.418 3.662 20 0 EHADMM CCOc1cc(C(=O)NC[C@@H]2CCc3ccccc32)cc(Cl)c1[O-] ZINC000186803999 1037027753 /nfs/dbraw/zinc/02/77/53/1037027753.db2.gz SMOXJOXRDTUTLP-ZDUSSCGKSA-N -1 1 345.826 3.904 20 0 EHADMM CCOc1cc(C(=O)N2CCc3cccc(C)c32)cc(Cl)c1[O-] ZINC000186850098 1037062079 /nfs/dbraw/zinc/06/20/79/1037062079.db2.gz RSSPGGBTLFPTLG-UHFFFAOYSA-N -1 1 331.799 3.956 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)c2ccccc12 ZINC000035685417 1037171637 /nfs/dbraw/zinc/17/16/37/1037171637.db2.gz HPHAJYFGZUVTQT-UHFFFAOYSA-N -1 1 327.405 3.958 20 0 EHADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2nccc2C)cc1 ZINC000542235885 1037187414 /nfs/dbraw/zinc/18/74/14/1037187414.db2.gz PJXQGQQLYFLHDY-UHFFFAOYSA-N -1 1 341.436 3.544 20 0 EHADMM O=C(Nc1ccc(SC(F)(F)F)nc1)c1cc(F)ccc1[O-] ZINC001299195623 1037310813 /nfs/dbraw/zinc/31/08/13/1037310813.db2.gz NYOGBOHYBCXYFQ-UHFFFAOYSA-N -1 1 332.278 3.791 20 0 EHADMM CCc1ccccc1NC(=O)[C@H](C)Sc1nc(CC)c(C)c(=O)[n-]1 ZINC000573339676 1037471688 /nfs/dbraw/zinc/47/16/88/1037471688.db2.gz SWOAOKHWPVXXIU-LBPRGKRZSA-N -1 1 345.468 3.735 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000007402861 1037491878 /nfs/dbraw/zinc/49/18/78/1037491878.db2.gz SIYOIALRLSFBHF-UHFFFAOYSA-N -1 1 344.219 3.997 20 0 EHADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000180278164 1038115696 /nfs/dbraw/zinc/11/56/96/1038115696.db2.gz COKPUQLQXSIRJM-UHFFFAOYSA-N -1 1 337.615 3.843 20 0 EHADMM O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339117560 1038339042 /nfs/dbraw/zinc/33/90/42/1038339042.db2.gz BZAXFXIQUNISRT-UHFFFAOYSA-N -1 1 327.771 3.617 20 0 EHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107566306 1038376490 /nfs/dbraw/zinc/37/64/90/1038376490.db2.gz PMYITSMNVIEKQX-CHWSQXEVSA-N -1 1 346.312 3.719 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1c1cccnc1 ZINC000378462651 1038637792 /nfs/dbraw/zinc/63/77/92/1038637792.db2.gz YULKUCHXOGXFEW-AWEZNQCLSA-N -1 1 336.313 3.783 20 0 EHADMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cccc(C(F)F)c1 ZINC000780388867 1039099398 /nfs/dbraw/zinc/09/93/98/1039099398.db2.gz IKKYCWRKHIZMGI-UHFFFAOYSA-N -1 1 337.269 3.842 20 0 EHADMM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1 ZINC000432773097 1039100447 /nfs/dbraw/zinc/10/04/47/1039100447.db2.gz BZGHOUSOUTZHLU-UHFFFAOYSA-N -1 1 348.468 3.557 20 0 EHADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cccc([C@H]2CCCOC2)c1 ZINC000910981771 1039179661 /nfs/dbraw/zinc/17/96/61/1039179661.db2.gz FSAOUJBBORREHC-ZDUSSCGKSA-N -1 1 333.334 3.817 20 0 EHADMM CC(C)(C)OC1CC(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000488475147 1039201896 /nfs/dbraw/zinc/20/18/96/1039201896.db2.gz ZVXOMFFVYKRTDU-UHFFFAOYSA-N -1 1 343.427 3.705 20 0 EHADMM O=C(NCc1ccc(OC(F)F)cc1)c1cc(Cl)ccc1[O-] ZINC000022068385 1039324367 /nfs/dbraw/zinc/32/43/67/1039324367.db2.gz WKUCJPPVYNURPF-UHFFFAOYSA-N -1 1 327.714 3.577 20 0 EHADMM O=C(COc1ccc(Cl)c(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000485662712 1039402372 /nfs/dbraw/zinc/40/23/72/1039402372.db2.gz XYTBHUMEVCKBLO-UHFFFAOYSA-N -1 1 330.142 3.856 20 0 EHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000554689466 1039611892 /nfs/dbraw/zinc/61/18/92/1039611892.db2.gz KSOWUXPGPOEBEP-PLNGDYQASA-N -1 1 333.409 3.538 20 0 EHADMM CSc1cc(O)ccc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000489110586 1039630508 /nfs/dbraw/zinc/63/05/08/1039630508.db2.gz NKKLKHJAJZVWJH-UHFFFAOYSA-N -1 1 336.413 3.670 20 0 EHADMM COc1cc(C(=O)N2Cc3cccc(Cl)c3C2)cc(Cl)c1[O-] ZINC000489123676 1039633623 /nfs/dbraw/zinc/63/36/23/1039633623.db2.gz OHSAHWWCXLMQJD-UHFFFAOYSA-N -1 1 338.190 3.864 20 0 EHADMM Cc1cccc(CO[N-]C(=O)[C@H](C)c2ccc(Br)cc2)n1 ZINC000898934049 1039738887 /nfs/dbraw/zinc/73/88/87/1039738887.db2.gz JLTWHNRDWCTNSP-GFCCVEGCSA-N -1 1 349.228 3.504 20 0 EHADMM CSc1ccc([O-])c(C(=O)N2CCCN(C)c3ccccc32)c1 ZINC000668951419 1039821069 /nfs/dbraw/zinc/82/10/69/1039821069.db2.gz CNSRUVAHRAAFTI-UHFFFAOYSA-N -1 1 328.437 3.601 20 0 EHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1 ZINC000486112935 1039894052 /nfs/dbraw/zinc/89/40/52/1039894052.db2.gz WTJLDSNWKQSMMU-UHFFFAOYSA-N -1 1 347.411 3.918 20 0 EHADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000533947283 1039998464 /nfs/dbraw/zinc/99/84/64/1039998464.db2.gz SLTFNJWQPRKBMR-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM CC(C)(C)c1ncc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000417581146 1040030033 /nfs/dbraw/zinc/03/00/33/1040030033.db2.gz GZLAZSHFEWROHZ-OAHLLOKOSA-N -1 1 347.846 3.733 20 0 EHADMM COc1ccc(CCCC(=O)Nc2cccc(F)c2[O-])cc1OC ZINC000899141019 1040069794 /nfs/dbraw/zinc/06/97/94/1040069794.db2.gz FQPVREFZGHIKKT-UHFFFAOYSA-N -1 1 333.359 3.510 20 0 EHADMM CC(C)COc1ccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000417647571 1040109025 /nfs/dbraw/zinc/10/90/25/1040109025.db2.gz LTDOIYDJQVKCEJ-UHFFFAOYSA-N -1 1 349.377 3.988 20 0 EHADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000166845799 1040335913 /nfs/dbraw/zinc/33/59/13/1040335913.db2.gz CCISQTYHETYTON-VWYCJHECSA-N -1 1 326.234 3.661 20 0 EHADMM CC(C)Cn1ncc(NC(=O)c2c(F)ccc([O-])c2F)c1C1CC1 ZINC000490281297 1040475949 /nfs/dbraw/zinc/47/59/49/1040475949.db2.gz DMEMAIAKUYVTKT-UHFFFAOYSA-N -1 1 335.354 3.653 20 0 EHADMM CO[C@H](C(=O)Nc1cccc([O-])c1Br)C1CCCCC1 ZINC000908709261 1040604165 /nfs/dbraw/zinc/60/41/65/1040604165.db2.gz FQSZUCILURQMKY-AWEZNQCLSA-N -1 1 342.233 3.689 20 0 EHADMM O=C(NC1CCCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042995575 1040820890 /nfs/dbraw/zinc/82/08/90/1040820890.db2.gz KYXVYNMHCKZANL-UHFFFAOYSA-N -1 1 344.455 3.719 20 0 EHADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCCC(C)C)c1 ZINC000025328128 1040852615 /nfs/dbraw/zinc/85/26/15/1040852615.db2.gz YUKAZLZWNOAMLC-UHFFFAOYSA-N -1 1 346.500 3.859 20 0 EHADMM O=C(Cc1csc(C2CCCC2)n1)Nc1cc([O-])c(F)cc1F ZINC000909973315 1041088171 /nfs/dbraw/zinc/08/81/71/1041088171.db2.gz WGIABPXYXQPWOW-UHFFFAOYSA-N -1 1 338.379 3.966 20 0 EHADMM O=C([O-])c1cc(Cl)ccc1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001142647428 1041190326 /nfs/dbraw/zinc/19/03/26/1041190326.db2.gz WIKIBUKUTOGCGM-BXKDBHETSA-N -1 1 339.716 3.618 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000045298937 1042070669 /nfs/dbraw/zinc/07/06/69/1042070669.db2.gz AHWPJKLIKLJLMR-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM O=C([O-])c1ccccc1CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000652391047 1042443822 /nfs/dbraw/zinc/44/38/22/1042443822.db2.gz BSPYRZXVNLCTGO-SFHVURJKSA-N -1 1 345.826 3.654 20 0 EHADMM O=C([O-])c1ccccc1CCN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000652391047 1042443824 /nfs/dbraw/zinc/44/38/24/1042443824.db2.gz BSPYRZXVNLCTGO-SFHVURJKSA-N -1 1 345.826 3.654 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(-c2ccccc2Cl)on1 ZINC000652463395 1042489275 /nfs/dbraw/zinc/48/92/75/1042489275.db2.gz DCBIIPHTEFIESY-CYBMUJFWSA-N -1 1 334.803 3.824 20 0 EHADMM Cc1cc(F)c(CNC[C@H](CCC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000663262144 1042607926 /nfs/dbraw/zinc/60/79/26/1042607926.db2.gz PTEBXWLIOGKTNP-VIFPVBQESA-N -1 1 341.732 3.920 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)ccc1Cl ZINC000432474450 1043404647 /nfs/dbraw/zinc/40/46/47/1043404647.db2.gz DAXYKFWWSPRZHQ-UHFFFAOYSA-N -1 1 325.817 3.766 20 0 EHADMM Cc1ccc2c([n-]cc(C(=O)N3CCC[C@H](C(C)(C)C)C3)c2=O)[nH+]1 ZINC000408344800 1043453866 /nfs/dbraw/zinc/45/38/66/1043453866.db2.gz AHTMKVBPZMSURW-ZDUSSCGKSA-N -1 1 327.428 3.542 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](C(C)(C)C)C1)c2=O ZINC000408344800 1043453880 /nfs/dbraw/zinc/45/38/80/1043453880.db2.gz AHTMKVBPZMSURW-ZDUSSCGKSA-N -1 1 327.428 3.542 20 0 EHADMM Cn1cc(CCNC(=O)c2ccc([O-])cc2F)c2ccc(Cl)cc21 ZINC000187197955 1043899443 /nfs/dbraw/zinc/89/94/43/1043899443.db2.gz QRYITGDKCPEKAD-UHFFFAOYSA-N -1 1 346.789 3.649 20 0 EHADMM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000344890519 1044655676 /nfs/dbraw/zinc/65/56/76/1044655676.db2.gz AEYJLGXTUSSWST-IUCAKERBSA-N -1 1 345.745 3.528 20 0 EHADMM O=C(NC[C@@H]1CCc2ccccc21)c1ccc(Br)c([O-])c1 ZINC000154913933 1125765411 /nfs/dbraw/zinc/76/54/11/1125765411.db2.gz MAMGRECPWCVRPQ-ZDUSSCGKSA-N -1 1 346.224 3.615 20 0 EHADMM CCOc1ccc(Cl)cc1CCNC(=O)c1c([O-])cccc1F ZINC000622465674 1126706366 /nfs/dbraw/zinc/70/63/66/1126706366.db2.gz DVEUKNCASJNQBH-UHFFFAOYSA-N -1 1 337.778 3.556 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)c2c(F)cccc2F)c1 ZINC000763828423 1126878400 /nfs/dbraw/zinc/87/84/00/1126878400.db2.gz RNHPZJSCFWUZSR-LLVKDONJSA-N -1 1 348.345 3.762 20 0 EHADMM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1cccc(F)c1 ZINC000192705671 1126929541 /nfs/dbraw/zinc/92/95/41/1126929541.db2.gz BAPKFYDZWRQCPI-UHFFFAOYSA-N -1 1 342.395 3.612 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CSC)c1 ZINC000184029179 1127392938 /nfs/dbraw/zinc/39/29/38/1127392938.db2.gz JGHWJCGWLIWVQN-UHFFFAOYSA-N -1 1 349.477 3.943 20 0 EHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000764222488 1127464412 /nfs/dbraw/zinc/46/44/12/1127464412.db2.gz ZAHLQCPJLWAFIH-QMMMGPOBSA-N -1 1 333.750 3.552 20 0 EHADMM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000764222524 1127464439 /nfs/dbraw/zinc/46/44/39/1127464439.db2.gz ZYRNJAFXQNWNTJ-MRVPVSSYSA-N -1 1 333.750 3.552 20 0 EHADMM O=C(c1ccc(O)cc1[O-])N1CC2(CCCC2)c2c1cccc2F ZINC000194724536 1127466454 /nfs/dbraw/zinc/46/64/54/1127466454.db2.gz NFSMGPCQVRDJAI-UHFFFAOYSA-N -1 1 327.355 3.709 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000034254095 1127868049 /nfs/dbraw/zinc/86/80/49/1127868049.db2.gz MYYPXLFJBHJFDW-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM COc1cccc(F)c1C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001626943944 1127875971 /nfs/dbraw/zinc/87/59/71/1127875971.db2.gz RXOKAUOWIAJELZ-UHFFFAOYSA-N -1 1 345.267 3.521 20 0 EHADMM Cc1cc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)no1 ZINC000060388411 1128099831 /nfs/dbraw/zinc/09/98/31/1128099831.db2.gz PLRNUYJPYZZSLX-UHFFFAOYSA-N -1 1 344.440 3.555 20 0 EHADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007056196 1128846395 /nfs/dbraw/zinc/84/63/95/1128846395.db2.gz QHODLXLASFGJLA-UHFFFAOYSA-N -1 1 347.436 3.772 20 0 EHADMM CC(C)(C)c1cc(C(=O)Nc2c[n-][nH]c2=O)cc(C(C)(C)C)c1O ZINC001648814215 1120047059 /nfs/dbraw/zinc/04/70/59/1120047059.db2.gz IYCABADYTHBQQE-UHFFFAOYSA-N -1 1 331.416 3.668 20 0 EHADMM CC(C)[C@H]1N(C(=O)C(=O)c2ccc([O-])cc2)CC12CCCCCC2 ZINC001648893688 1120062038 /nfs/dbraw/zinc/06/20/38/1120062038.db2.gz BUQJWFCYNXVRGR-GOSISDBHSA-N -1 1 329.440 3.782 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccc(Br)cc1C(F)(F)F ZINC000081570023 1120120543 /nfs/dbraw/zinc/12/05/43/1120120543.db2.gz OWXPEMUIPVXKGN-UHFFFAOYSA-N -1 1 346.168 3.620 20 0 EHADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000110325242 1120333410 /nfs/dbraw/zinc/33/34/10/1120333410.db2.gz JXHBEOIULGRBDR-LLVKDONJSA-N -1 1 334.213 3.954 20 0 EHADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1c[nH]c2cccc(F)c21 ZINC000185172494 1120402599 /nfs/dbraw/zinc/40/25/99/1120402599.db2.gz ZAKBJZRKLHXEGB-UHFFFAOYSA-N -1 1 342.754 3.900 20 0 EHADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000218880092 1120405900 /nfs/dbraw/zinc/40/59/00/1120405900.db2.gz CRUNFLCVWJSARH-HNNXBMFYSA-N -1 1 346.224 3.914 20 0 EHADMM CC[C@@H](CN(CC)C(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000185796276 1120429404 /nfs/dbraw/zinc/42/94/04/1120429404.db2.gz SMZSJEICDNMQAS-HNNXBMFYSA-N -1 1 349.434 3.579 20 0 EHADMM Cc1c([N-]c2nn3cc(-c4ccc(Cl)cc4)nc3s2)cnn1C ZINC000188982443 1120521126 /nfs/dbraw/zinc/52/11/26/1120521126.db2.gz BOEHNIHEEWQETC-UHFFFAOYSA-N -1 1 344.831 3.897 20 0 EHADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000494469187 1120566711 /nfs/dbraw/zinc/56/67/11/1120566711.db2.gz KAUOICPOZMRYQZ-NEPJUHHUSA-N -1 1 334.416 3.610 20 0 EHADMM O=C(NCc1ccc(OC2CCCC2)nc1)c1cc(Cl)ccc1[O-] ZINC001626013484 1120606325 /nfs/dbraw/zinc/60/63/25/1120606325.db2.gz RJWBTNGRIMTPSC-UHFFFAOYSA-N -1 1 346.814 3.692 20 0 EHADMM COc1cc(F)c(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000190976425 1120656743 /nfs/dbraw/zinc/65/67/43/1120656743.db2.gz IGEIXBVMNKIJGI-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1 ZINC000195447516 1120784589 /nfs/dbraw/zinc/78/45/89/1120784589.db2.gz MBLRUFLZCYZREQ-UHFFFAOYSA-N -1 1 336.463 3.819 20 0 EHADMM O=C(c1ncccc1[O-])N(Cc1ccccc1)Cc1ccccc1F ZINC000494839892 1120881766 /nfs/dbraw/zinc/88/17/66/1120881766.db2.gz ZJYPLFKBRZYVBC-UHFFFAOYSA-N -1 1 336.366 3.769 20 0 EHADMM C[C@@H]1C[C@@H]1c1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000495357228 1121111061 /nfs/dbraw/zinc/11/10/61/1121111061.db2.gz JTXORBYOBKAYGR-SKDRFNHKSA-N -1 1 331.372 3.913 20 0 EHADMM COc1cc(C(=O)Nc2cccc(N3CCCC3)c2)cc(Cl)c1[O-] ZINC000153612543 1121410573 /nfs/dbraw/zinc/41/05/73/1121410573.db2.gz ZGNJWENZQGOYFF-UHFFFAOYSA-N -1 1 346.814 3.907 20 0 EHADMM CSCC[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000113401667 1129009332 /nfs/dbraw/zinc/00/93/32/1129009332.db2.gz NLTDIKHZKTZTSE-AWEZNQCLSA-N -1 1 339.844 3.896 20 0 EHADMM COc1cccc(-n2ccnc2SCC(=O)c2ccc([O-])cc2)c1 ZINC000026045212 1121873610 /nfs/dbraw/zinc/87/36/10/1121873610.db2.gz GIHGPTQFCSNJFE-UHFFFAOYSA-N -1 1 340.404 3.562 20 0 EHADMM C[C@@H]1Oc2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc2NC1=O ZINC000123757413 1122263130 /nfs/dbraw/zinc/26/31/30/1122263130.db2.gz YXNRHKIDKUUNMH-NSHDSACASA-N -1 1 348.358 3.517 20 0 EHADMM CC(C)OCCOCc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000065785933 1122419221 /nfs/dbraw/zinc/41/92/21/1122419221.db2.gz CVFNQKBSIDVLLV-UHFFFAOYSA-N -1 1 329.396 3.586 20 0 EHADMM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3nc(C(C)(C)C)no3)[nH]n2)o1 ZINC000919328573 1123022310 /nfs/dbraw/zinc/02/23/10/1123022310.db2.gz GXHCYSYBBLFERR-SNVBAGLBSA-N -1 1 344.371 3.577 20 0 EHADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1cccc(Cl)c1 ZINC000072576980 1123122010 /nfs/dbraw/zinc/12/20/10/1123122010.db2.gz MFKSMXNFPBEEJA-UHFFFAOYSA-N -1 1 336.844 3.741 20 0 EHADMM COC(=O)Cc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000556967442 1123243278 /nfs/dbraw/zinc/24/32/78/1123243278.db2.gz LFYYWXPLQXFRLQ-UHFFFAOYSA-N -1 1 335.359 3.513 20 0 EHADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(F)c3C)cc2)co1 ZINC000075082542 1123361163 /nfs/dbraw/zinc/36/11/63/1123361163.db2.gz DCLVDILVQGXVTC-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc([O-])cc1F ZINC000133637578 1123410724 /nfs/dbraw/zinc/41/07/24/1123410724.db2.gz TYWNKPTVHXCLIK-CYBMUJFWSA-N -1 1 349.230 3.843 20 0 EHADMM CC(C)Cc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2F)s1 ZINC000133738848 1123426853 /nfs/dbraw/zinc/42/68/53/1123426853.db2.gz FXYYGXZJOCFXJA-UHFFFAOYSA-N -1 1 331.775 3.921 20 0 EHADMM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cc2ccccc2o1 ZINC000134158383 1123496593 /nfs/dbraw/zinc/49/65/93/1123496593.db2.gz FAEGREABLSROEQ-HNNXBMFYSA-N -1 1 331.368 3.538 20 0 EHADMM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1cc2ccccc2o1 ZINC000134666478 1123540895 /nfs/dbraw/zinc/54/08/95/1123540895.db2.gz IYQVYMNFWQOETQ-OAHLLOKOSA-N -1 1 349.452 3.593 20 0 EHADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2C)o1 ZINC000135403006 1123608703 /nfs/dbraw/zinc/60/87/03/1123608703.db2.gz VUEQFNLZQCMCHU-UHFFFAOYSA-N -1 1 349.387 3.535 20 0 EHADMM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1ccc(Cl)s1 ZINC000499640666 1129136327 /nfs/dbraw/zinc/13/63/27/1129136327.db2.gz IXZFMDKVYFVWCG-QMMMGPOBSA-N -1 1 329.821 3.505 20 0 EHADMM O=C(Nc1ccc(F)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000010464566 1123853540 /nfs/dbraw/zinc/85/35/40/1123853540.db2.gz OSEUSKVCMIKFBV-UHFFFAOYSA-N -1 1 342.370 3.658 20 0 EHADMM Cc1ccc([O-])c(C(=O)c2cnn(Cc3ccccc3Cl)c2)c1 ZINC000616023039 1123927315 /nfs/dbraw/zinc/92/73/15/1123927315.db2.gz QTKJMUKEFZBIQO-UHFFFAOYSA-N -1 1 326.783 3.830 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000068768037 1124022442 /nfs/dbraw/zinc/02/24/42/1124022442.db2.gz YJZYHNRFZPEOCV-MISXGVKJSA-N -1 1 330.211 3.671 20 0 EHADMM Cc1ccc(SCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000617364187 1124498658 /nfs/dbraw/zinc/49/86/58/1124498658.db2.gz XDWAKNBUKXHWRK-UHFFFAOYSA-N -1 1 329.450 3.599 20 0 EHADMM CN(C)c1nc(Nc2ccc(CNc3ccccc3)cc2)cc(=O)[n-]1 ZINC001212299781 1124551746 /nfs/dbraw/zinc/55/17/46/1124551746.db2.gz HEYGTSGJVIEPNF-UHFFFAOYSA-N -1 1 335.411 3.604 20 0 EHADMM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc([O-])cc1F ZINC000181158260 1124609716 /nfs/dbraw/zinc/60/97/16/1124609716.db2.gz MEVDVUVMFOQDMW-UHFFFAOYSA-N -1 1 336.313 3.662 20 0 EHADMM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CC1(Cl)Cl ZINC000181608539 1124984449 /nfs/dbraw/zinc/98/44/49/1124984449.db2.gz GXTPIKGSKXPLJA-RCOVLWMOSA-N -1 1 348.098 3.878 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000619184990 1125307014 /nfs/dbraw/zinc/30/70/14/1125307014.db2.gz ZPFXCVSAUZQUCW-YLJYHZDGSA-N -1 1 339.435 3.967 20 0 EHADMM Cc1cc([C@@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)c(O)cc1Cl ZINC000619374918 1125342525 /nfs/dbraw/zinc/34/25/25/1125342525.db2.gz PLQBXTMBFFUKIP-LLVKDONJSA-N -1 1 349.789 3.828 20 0 EHADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CC23CCC3)cc1[O-] ZINC000673120557 1129195352 /nfs/dbraw/zinc/19/53/52/1129195352.db2.gz WGBIQJMAJJDEJL-INIZCTEOSA-N -1 1 342.439 3.583 20 0 EHADMM COc1cc2nc(-c3ccc4[nH]c(C)c(C)c4c3)[n-]c(=O)c2cc1OC ZINC000125387283 1129686992 /nfs/dbraw/zinc/68/69/92/1129686992.db2.gz UOUZUBKMNYFVRZ-UHFFFAOYSA-N -1 1 349.390 3.705 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000509070788 1129718018 /nfs/dbraw/zinc/71/80/18/1129718018.db2.gz WUESDGHIIKSAQU-UHFFFAOYSA-N -1 1 336.463 3.819 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CC(c2nc3ccccc3[nH]2)C1 ZINC000675526565 1130422599 /nfs/dbraw/zinc/42/25/99/1130422599.db2.gz KMPRHKLRKQRNBS-UHFFFAOYSA-N -1 1 343.386 3.661 20 0 EHADMM CCCC[C@H](CCC)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000730299629 1130697303 /nfs/dbraw/zinc/69/73/03/1130697303.db2.gz RSDWIXQOFSFACU-NSHDSACASA-N -1 1 333.475 3.635 20 0 EHADMM CC(C)c1nnc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000730360614 1130703278 /nfs/dbraw/zinc/70/32/78/1130703278.db2.gz ZCNCPSIAJJQBEY-UHFFFAOYSA-N -1 1 331.155 3.562 20 0 EHADMM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1ccc(Cl)cn1 ZINC000731779683 1130845519 /nfs/dbraw/zinc/84/55/19/1130845519.db2.gz OBNCDMSNWTUOFR-FPLPWBNLSA-N -1 1 329.208 3.801 20 0 EHADMM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccc2ncccc2c1 ZINC000741650417 1131631455 /nfs/dbraw/zinc/63/14/55/1131631455.db2.gz ZLTJEAMDMCUBDK-UHFFFAOYSA-N -1 1 349.415 3.826 20 0 EHADMM CO[C@H](CNC(=O)c1c([O-])cccc1Cl)c1cccc(Cl)c1 ZINC000743757790 1131972553 /nfs/dbraw/zinc/97/25/53/1131972553.db2.gz WHEOSHCCNWENHO-CQSZACIVSA-N -1 1 340.206 3.817 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2cccc(F)c2C(F)(F)F)no1 ZINC001212721326 1132055523 /nfs/dbraw/zinc/05/55/23/1132055523.db2.gz KKOZSNFAVSCLGZ-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3c(s2)CCCC3)c1 ZINC000744454789 1132103357 /nfs/dbraw/zinc/10/33/57/1132103357.db2.gz JLHXHLQDISQJSA-UHFFFAOYSA-N -1 1 344.432 3.935 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2sc(C(C)C)nc2C)c1 ZINC000744742435 1132144435 /nfs/dbraw/zinc/14/44/35/1132144435.db2.gz OZGVUOCEUQPGMK-UHFFFAOYSA-N -1 1 347.436 3.883 20 0 EHADMM COc1cc(OC)c(Nc2cc([O-])c(Cl)cc2F)c(OC)c1 ZINC001173909417 1132171202 /nfs/dbraw/zinc/17/12/02/1132171202.db2.gz RENXTABLBABNEL-UHFFFAOYSA-N -1 1 327.739 3.954 20 0 EHADMM CS(=O)(=O)c1cccc(Nc2cc(Cl)c([O-])cc2Cl)c1 ZINC001174028260 1132218781 /nfs/dbraw/zinc/21/87/81/1132218781.db2.gz PZPVVARGLMEZEI-UHFFFAOYSA-N -1 1 332.208 3.846 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(C(F)F)c2)c1 ZINC001174619840 1132418878 /nfs/dbraw/zinc/41/88/78/1132418878.db2.gz WBYSHGYKNSNJBV-UHFFFAOYSA-N -1 1 327.352 3.867 20 0 EHADMM COc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)cc(Cl)c1OC ZINC000187227665 1132428305 /nfs/dbraw/zinc/42/83/05/1132428305.db2.gz CRNQXHIMBHBVRM-XGICHPGQSA-N -1 1 330.767 3.885 20 0 EHADMM O=C(N[C@@H](CF)c1ccc(F)cc1)c1c([O-])cnc2c(F)cccc21 ZINC001174772553 1132461470 /nfs/dbraw/zinc/46/14/70/1132461470.db2.gz WQZRETYEXGRNEL-AWEZNQCLSA-N -1 1 346.308 3.659 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)cc1N ZINC001174910530 1132501369 /nfs/dbraw/zinc/50/13/69/1132501369.db2.gz NNCRLQBUMPMTOD-UHFFFAOYSA-N -1 1 348.468 3.693 20 0 EHADMM CCOc1ccc(C)cc1Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC001175122567 1132573385 /nfs/dbraw/zinc/57/33/85/1132573385.db2.gz CFJXZPKCEBCWNR-UHFFFAOYSA-N -1 1 335.425 3.637 20 0 EHADMM COc1cc([N-]c2nc3cc(Br)ccc3o2)c(F)cn1 ZINC001175688356 1132738308 /nfs/dbraw/zinc/73/83/08/1132738308.db2.gz SBVACZBKLSMUTO-UHFFFAOYSA-N -1 1 338.136 3.877 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(-c3ccccn3)cc2)c1 ZINC001176041631 1132826804 /nfs/dbraw/zinc/82/68/04/1132826804.db2.gz VKXBYGIJZYPEDK-UHFFFAOYSA-N -1 1 340.404 3.601 20 0 EHADMM CN(C(=O)OC(C)(C)C)c1ccc([N-]c2noc(C(C)(C)C)n2)cn1 ZINC001176130267 1132855591 /nfs/dbraw/zinc/85/55/91/1132855591.db2.gz BYMSMHJSXHXTMD-UHFFFAOYSA-N -1 1 347.419 3.877 20 0 EHADMM CCC(=O)N(C)c1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001176203824 1132871021 /nfs/dbraw/zinc/87/10/21/1132871021.db2.gz IMBXAFJLPYAOLX-UHFFFAOYSA-N -1 1 346.814 3.600 20 0 EHADMM CC(C)Oc1cc(Nc2cc3ccc([O-])cc3oc2=O)c(F)cn1 ZINC001176481058 1132944320 /nfs/dbraw/zinc/94/43/20/1132944320.db2.gz BHJQXTIMDUFAGP-UHFFFAOYSA-N -1 1 330.315 3.564 20 0 EHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(CC(F)(F)F)n1 ZINC001176664917 1132978572 /nfs/dbraw/zinc/97/85/72/1132978572.db2.gz YDRFXMPBXCBVQM-UHFFFAOYSA-N -1 1 325.212 3.620 20 0 EHADMM CN(c1ncc(C(F)(F)F)cc1N)c1c(F)cc(F)c([O-])c1F ZINC001176663788 1132978676 /nfs/dbraw/zinc/97/86/76/1132978676.db2.gz IJCOHZGRBKROBM-UHFFFAOYSA-N -1 1 337.223 3.573 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2cnc(OCC3CCC3)nc2)c1F ZINC001176668987 1132978935 /nfs/dbraw/zinc/97/89/35/1132978935.db2.gz AGJGEQGKGIBAJQ-UHFFFAOYSA-N -1 1 325.290 3.522 20 0 EHADMM COC(=O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1Cl ZINC001176673059 1132979773 /nfs/dbraw/zinc/97/97/73/1132979773.db2.gz DIEJXLORHZPZMP-UHFFFAOYSA-N -1 1 331.677 3.993 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(-c2ccccc2F)on1 ZINC001176988927 1133017726 /nfs/dbraw/zinc/01/77/26/1133017726.db2.gz VERGDLOQSAXQSL-UHFFFAOYSA-N -1 1 346.745 3.770 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC001176987717 1133018026 /nfs/dbraw/zinc/01/80/26/1133018026.db2.gz DASZMSPAWXFVHT-UHFFFAOYSA-N -1 1 345.704 3.874 20 0 EHADMM CC(C)(C)c1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000773689368 1133080613 /nfs/dbraw/zinc/08/06/13/1133080613.db2.gz CFUQLPZTBCBPPL-UHFFFAOYSA-N -1 1 326.425 3.568 20 0 EHADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000768248759 1133117705 /nfs/dbraw/zinc/11/77/05/1133117705.db2.gz LANNTSRKJGPRAL-SECBINFHSA-N -1 1 343.276 3.921 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(OCc2ccccc2)ccn1 ZINC000768260605 1133117994 /nfs/dbraw/zinc/11/79/94/1133117994.db2.gz ZRADLYRYEPZWAF-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768400924 1133132416 /nfs/dbraw/zinc/13/24/16/1133132416.db2.gz NGKGVOBNMCEINN-UHFFFAOYSA-N -1 1 348.337 3.518 20 0 EHADMM O=C(NC[C@@]1(c2ccccc2)CCCO1)c1ccc2ccccc2c1[O-] ZINC001178540241 1133177348 /nfs/dbraw/zinc/17/73/48/1133177348.db2.gz SLBXFWYAWBWWBE-JOCHJYFZSA-N -1 1 347.414 3.981 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccc(-c2cccs2)o1 ZINC001178784785 1133198196 /nfs/dbraw/zinc/19/81/96/1133198196.db2.gz GKZXUTGFZPSHNM-UHFFFAOYSA-N -1 1 349.358 3.964 20 0 EHADMM CCCCc1ccc(CC(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001178780878 1133202039 /nfs/dbraw/zinc/20/20/39/1133202039.db2.gz NIYJYWPBKBHYNK-UHFFFAOYSA-N -1 1 347.405 3.914 20 0 EHADMM CC(C)(CNC(=O)c1cc2ccccc2cc1[O-])C1CCOCC1 ZINC001179383795 1133248962 /nfs/dbraw/zinc/24/89/62/1133248962.db2.gz REAJCXQQTSDYEL-UHFFFAOYSA-N -1 1 327.424 3.728 20 0 EHADMM CC(C)n1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1Cl ZINC001179660442 1133268435 /nfs/dbraw/zinc/26/84/35/1133268435.db2.gz RTFCLUQMDZUBGF-UHFFFAOYSA-N -1 1 332.162 3.868 20 0 EHADMM [O-]c1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1Cl ZINC000769350683 1133269189 /nfs/dbraw/zinc/26/91/89/1133269189.db2.gz IGZVUGUTWCJAOI-UHFFFAOYSA-N -1 1 343.814 3.509 20 0 EHADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769780866 1133344830 /nfs/dbraw/zinc/34/48/30/1133344830.db2.gz YMKOTDQZADCFEK-RISCZKNCSA-N -1 1 334.416 3.658 20 0 EHADMM Cc1ccccc1[C@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](C)CO1 ZINC000769919782 1133359672 /nfs/dbraw/zinc/35/96/72/1133359672.db2.gz FVTOUTWORVABNW-SUMWQHHRSA-N -1 1 345.826 3.956 20 0 EHADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@@H]1CC1CCCCC1 ZINC000773876746 1133414037 /nfs/dbraw/zinc/41/40/37/1133414037.db2.gz CKGICRZQYIAQDY-OAHLLOKOSA-N -1 1 344.484 3.593 20 0 EHADMM 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CCc1cc2c(COC(=O)c3sccc3C)cc(=O)oc2cc1[O-] ZINC000005973766 1136152717 /nfs/dbraw/zinc/15/27/17/1136152717.db2.gz CUBSEMZOTXHTEA-UHFFFAOYSA-N -1 1 344.388 3.788 20 0 EHADMM COC(C)(C)c1nc(C)c(C(=O)[N-]c2nc(C(C)C)ns2)s1 ZINC001133192697 1136184698 /nfs/dbraw/zinc/18/46/98/1136184698.db2.gz NCTQYLJHNYDVPA-UHFFFAOYSA-N -1 1 340.474 3.560 20 0 EHADMM O=c1cc(C(F)F)nc(SCc2cccc(Br)n2)[n-]1 ZINC000813577488 1136346315 /nfs/dbraw/zinc/34/63/15/1136346315.db2.gz UYPAJCYFHZKEKA-UHFFFAOYSA-N -1 1 348.172 3.570 20 0 EHADMM C[C@@]1(COC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)CC1(F)F ZINC000851254873 1136357819 /nfs/dbraw/zinc/35/78/19/1136357819.db2.gz FMYWWEWYXBHORN-KRWDZBQOSA-N -1 1 349.333 3.574 20 0 EHADMM Cc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)ccc1N(C)C ZINC000814767051 1136502607 /nfs/dbraw/zinc/50/26/07/1136502607.db2.gz VLJDMCFSMVSCES-UHFFFAOYSA-N -1 1 325.384 3.787 20 0 EHADMM CC[C@H](C)CO[N-]C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC000816976054 1136769054 /nfs/dbraw/zinc/76/90/54/1136769054.db2.gz 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347.418 3.733 20 0 EHADMM CC(C)[C@H]1COCCN1C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148866476 1137436845 /nfs/dbraw/zinc/43/68/45/1137436845.db2.gz IVEJVILQRKNXHP-GOSISDBHSA-N -1 1 325.408 3.556 20 0 EHADMM CC1(C)CN(C(=O)c2cccc(-c3ccccc3)c2[O-])[C@](C)(CO)C1 ZINC001148866531 1137436891 /nfs/dbraw/zinc/43/68/91/1137436891.db2.gz ADOWMVUNXGYCTN-NRFANRHFSA-N -1 1 339.435 3.682 20 0 EHADMM COc1cc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)cc(OC)c1 ZINC000871883046 1137562490 /nfs/dbraw/zinc/56/24/90/1137562490.db2.gz AKWPCYBBJCWVCV-KRWDZBQOSA-N -1 1 349.814 3.663 20 0 EHADMM Cc1c([N-]S(=O)(=O)Cc2ccc(F)cc2Cl)n[nH]c1C(C)C ZINC000872006855 1137564425 /nfs/dbraw/zinc/56/44/25/1137564425.db2.gz YOBOPHITXGCGMX-UHFFFAOYSA-N -1 1 345.827 3.576 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C)CC(F)(F)C2)c1Cl ZINC000872667844 1137582585 /nfs/dbraw/zinc/58/25/85/1137582585.db2.gz NXHMCPSVTJELHO-UHFFFAOYSA-N -1 1 344.210 3.768 20 0 EHADMM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000872920221 1137586620 /nfs/dbraw/zinc/58/66/20/1137586620.db2.gz UDCSEQIOAVGVSC-GOSISDBHSA-N -1 1 329.400 3.660 20 0 EHADMM CC(C)(CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)(F)F ZINC000825827990 1137639587 /nfs/dbraw/zinc/63/95/87/1137639587.db2.gz JTZQAXAEGPXISA-UHFFFAOYSA-N -1 1 325.277 3.822 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)n[nH]1 ZINC000126159331 1137660736 /nfs/dbraw/zinc/66/07/36/1137660736.db2.gz NNXRWCCDMMOUGT-BQYQJAHWSA-N -1 1 325.821 3.599 20 0 EHADMM CCC[C@@H](C)CC(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C)s1 ZINC000126403806 1137673020 /nfs/dbraw/zinc/67/30/20/1137673020.db2.gz STOLTGZSUSZWSE-MRVPVSSYSA-N -1 1 339.490 3.674 20 0 EHADMM CCc1ccc(-c2cc(C(=O)[N-]c3nnc(C4CC4)s3)no2)cc1 ZINC000878065054 1137701123 /nfs/dbraw/zinc/70/11/23/1137701123.db2.gz IMYIPLJVUHVWGM-UHFFFAOYSA-N -1 1 340.408 3.885 20 0 EHADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1ncc(-c2ccccc2F)s1 ZINC000888769145 1137743526 /nfs/dbraw/zinc/74/35/26/1137743526.db2.gz NHKORRSYIZLBOV-CYBMUJFWSA-N -1 1 337.376 3.529 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)Nc1ncc(-c2ccccc2F)s1 ZINC000888769145 1137743527 /nfs/dbraw/zinc/74/35/27/1137743527.db2.gz NHKORRSYIZLBOV-CYBMUJFWSA-N -1 1 337.376 3.529 20 0 EHADMM O=S(=O)([N-][C@H]1c2ccccc2CC[C@H]1F)c1ccc(C(F)F)o1 ZINC000882808149 1137834761 /nfs/dbraw/zinc/83/47/61/1137834761.db2.gz LNNYJJRGFZLHAN-RISCZKNCSA-N -1 1 345.342 3.521 20 0 EHADMM C[C@@H]1c2sccc2CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000883811832 1137871515 /nfs/dbraw/zinc/87/15/15/1137871515.db2.gz XQEYTNQNLKPGCH-SNVBAGLBSA-N -1 1 336.844 3.936 20 0 EHADMM O=C(Nc1ccc(OCc2ccccc2)nc1)c1cccc([O-])c1F ZINC001626125138 1137878269 /nfs/dbraw/zinc/87/82/69/1137878269.db2.gz VVMSXGGYGYGMJW-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM O=S(=O)([N-][C@H]1Cc2ccc(Cl)cc2C1)c1cc2ccccc2o1 ZINC000800156936 1137900220 /nfs/dbraw/zinc/90/02/20/1137900220.db2.gz CFDUYXWKEPJEAZ-HNNXBMFYSA-N -1 1 347.823 3.532 20 0 EHADMM CC(C)c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1Cl ZINC000332311044 1137939358 /nfs/dbraw/zinc/93/93/58/1137939358.db2.gz JNIISJVDLKEHOQ-LBPRGKRZSA-N -1 1 349.818 3.572 20 0 EHADMM O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc2ccccc2cc1[O-] ZINC001649170497 1138020028 /nfs/dbraw/zinc/02/00/28/1138020028.db2.gz IHDFUPFDBVYSOO-AWEZNQCLSA-N -1 1 341.392 3.501 20 0 EHADMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(F)ccc1[O-])CCC2 ZINC000092605633 1138230291 /nfs/dbraw/zinc/23/02/91/1138230291.db2.gz GGCXOTXTNBLVSO-CYBMUJFWSA-N -1 1 334.416 3.700 20 0 EHADMM O=C(C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000092929524 1138232786 /nfs/dbraw/zinc/23/27/86/1138232786.db2.gz OKAJEUHXZDZFLS-HNNXBMFYSA-N -1 1 345.345 3.548 20 0 EHADMM Cc1oc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)nc1C1CC1 ZINC000887241207 1138245903 /nfs/dbraw/zinc/24/59/03/1138245903.db2.gz IXCIQWSODAGCQY-UHFFFAOYSA-N -1 1 326.274 3.837 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333682633 1138319787 /nfs/dbraw/zinc/31/97/87/1138319787.db2.gz BOOQISUCIKVXTH-RBUKOAKNSA-N -1 1 339.435 3.559 20 0 EHADMM COc1ccc(C)cc1[C@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC000263847610 1138379942 /nfs/dbraw/zinc/37/99/42/1138379942.db2.gz NVOVYNPTOXBZDQ-NSHDSACASA-N -1 1 329.425 3.565 20 0 EHADMM CCCc1n[nH]cc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212821366 1138422883 /nfs/dbraw/zinc/42/28/83/1138422883.db2.gz YAYUWBWUALOKOQ-UHFFFAOYSA-N -1 1 343.437 3.978 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000337773611 1138664730 /nfs/dbraw/zinc/66/47/30/1138664730.db2.gz WJYABNGKEMUGLA-UHFFFAOYSA-N -1 1 331.315 3.520 20 0 EHADMM CC(=O)c1cnc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)s1 ZINC000338387293 1138881366 /nfs/dbraw/zinc/88/13/66/1138881366.db2.gz MZHYWITZDHCEEM-UHFFFAOYSA-N -1 1 347.783 3.505 20 0 EHADMM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(C(C)(C)C)s1 ZINC000153485248 1139138718 /nfs/dbraw/zinc/13/87/18/1139138718.db2.gz HAXISIVEOOKQIP-UHFFFAOYSA-N -1 1 347.465 3.509 20 0 EHADMM COc1cnc([C@@H]2CCCN2C(=O)CCC2CCCCCC2)[n-]c1=O ZINC000889786616 1139268347 /nfs/dbraw/zinc/26/83/47/1139268347.db2.gz NJNATJGISHITRO-HNNXBMFYSA-N -1 1 347.459 3.605 20 0 EHADMM COc1ccc(-c2csc3[n-]c([C@H]4CCCO4)nc(=O)c23)cc1 ZINC000178984585 1139728448 /nfs/dbraw/zinc/72/84/48/1139728448.db2.gz KVWVCLXMBSPKCE-CYBMUJFWSA-N -1 1 328.393 3.512 20 0 EHADMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc([O-])cc2F)cc1 ZINC000181246813 1139894404 /nfs/dbraw/zinc/89/44/04/1139894404.db2.gz FGKHVCHMSSCSLV-DNVCBOLYSA-N -1 1 343.398 3.737 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc([O-])cc1F)CCC2 ZINC000182041463 1139947149 /nfs/dbraw/zinc/94/71/49/1139947149.db2.gz MULJKEUHJKYHLC-AWEZNQCLSA-N -1 1 334.416 3.700 20 0 EHADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1coc(-c2ccccc2)n1 ZINC000182701053 1139987139 /nfs/dbraw/zinc/98/71/39/1139987139.db2.gz NNWLGRUYFZOIHL-UHFFFAOYSA-N -1 1 337.383 3.691 20 0 EHADMM CCOc1cc(C(=O)NCc2cccc(COC)c2)cc(Cl)c1[O-] ZINC000186623834 1140214232 /nfs/dbraw/zinc/21/42/32/1140214232.db2.gz PNMWQIGTSSYKAR-UHFFFAOYSA-N -1 1 349.814 3.521 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC([C@@H]2CCCO2)CC1 ZINC000187601985 1140263222 /nfs/dbraw/zinc/26/32/22/1140263222.db2.gz ZSNHSOMWORSVGV-SFHVURJKSA-N -1 1 325.408 3.577 20 0 EHADMM C[C@H]1C[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@H]1C ZINC000267820980 1140838722 /nfs/dbraw/zinc/83/87/22/1140838722.db2.gz OUXXZDFEBJATRG-PHIMTYICSA-N -1 1 329.425 3.745 20 0 EHADMM CSc1nc(C)c(CCc2nc([C@@H]3CCC[C@H](C)C3)no2)c(=O)[n-]1 ZINC000274002133 1141460814 /nfs/dbraw/zinc/46/08/14/1141460814.db2.gz VBVJLDIFPYHQDI-CMPLNLGQSA-N -1 1 348.472 3.674 20 0 EHADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000104179638 219355382 /nfs/dbraw/zinc/35/53/82/219355382.db2.gz RFJYKTBTNNUPNJ-MNOVXSKESA-N -1 1 326.234 3.711 20 0 EHADMM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(Br)cc1 ZINC000104327615 219374102 /nfs/dbraw/zinc/37/41/02/219374102.db2.gz KQTXDFJNCSMVAH-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)S1 ZINC000035484941 213032712 /nfs/dbraw/zinc/03/27/12/213032712.db2.gz JQYPSRHCWYXONR-WJDWOHSUSA-N -1 1 347.399 3.863 20 0 EHADMM Cc1ccc(CC[C@@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000822236441 599065390 /nfs/dbraw/zinc/06/53/90/599065390.db2.gz ZLQDYLZUYJABHG-GFCCVEGCSA-N -1 1 348.410 3.750 20 0 EHADMM Cc1ccc(CC[C@@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000822236441 599065392 /nfs/dbraw/zinc/06/53/92/599065392.db2.gz ZLQDYLZUYJABHG-GFCCVEGCSA-N -1 1 348.410 3.750 20 0 EHADMM C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CCC(=O)[O-] ZINC000818075748 596999734 /nfs/dbraw/zinc/99/97/34/596999734.db2.gz KPVHDPSIRIVVQZ-QMMMGPOBSA-N -1 1 344.198 3.511 20 0 EHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000820147857 598192435 /nfs/dbraw/zinc/19/24/35/598192435.db2.gz IXFUMFGJPODLLN-LLVKDONJSA-N -1 1 345.349 3.980 20 0 EHADMM Cc1cc(Cl)c(C(C)C)cc1Oc1nccnc1-c1nn[n-]n1 ZINC000737262816 598338095 /nfs/dbraw/zinc/33/80/95/598338095.db2.gz GHVKWCCYZZDHSG-UHFFFAOYSA-N -1 1 330.779 3.534 20 0 EHADMM Clc1ccc(NCc2cccc3ccccc32)nc1-c1nnn[n-]1 ZINC000737574755 598578044 /nfs/dbraw/zinc/57/80/44/598578044.db2.gz OTRYIWJQUFXJSJ-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM Clc1ccc(NCc2cccc3ccccc32)nc1-c1nn[n-]n1 ZINC000737574755 598578045 /nfs/dbraw/zinc/57/80/45/598578045.db2.gz OTRYIWJQUFXJSJ-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM Cc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)s1 ZINC000822229498 599490949 /nfs/dbraw/zinc/49/09/49/599490949.db2.gz VYFDKGXAYHWIPO-NSHDSACASA-N -1 1 336.424 3.958 20 0 EHADMM Cc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)s1 ZINC000822229498 599490952 /nfs/dbraw/zinc/49/09/52/599490952.db2.gz VYFDKGXAYHWIPO-NSHDSACASA-N -1 1 336.424 3.958 20 0 EHADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC[C@@]2(CC=CCC2)C1 ZINC000819718203 599557040 /nfs/dbraw/zinc/55/70/40/599557040.db2.gz ALMBNNFCCBUHBC-FQEVSTJZSA-N -1 1 346.438 3.742 20 0 EHADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC[C@@]2(CC=CCC2)C1 ZINC000819718203 599557041 /nfs/dbraw/zinc/55/70/41/599557041.db2.gz ALMBNNFCCBUHBC-FQEVSTJZSA-N -1 1 346.438 3.742 20 0 EHADMM COc1ccc(Cl)cc1CN(C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738013391 599709803 /nfs/dbraw/zinc/70/98/03/599709803.db2.gz HFXAGARVAOTGIX-MRXNPFEDSA-N -1 1 337.778 3.745 20 0 EHADMM COc1ccc([C@H](NCc2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000737970769 599857081 /nfs/dbraw/zinc/85/70/81/599857081.db2.gz OUQAWOBCGMSFAN-HNNXBMFYSA-N -1 1 340.206 3.918 20 0 EHADMM CC(C)c1ccc(-c2noc(CN(C[C@H](C)C(=O)[O-])C3CC3)n2)cc1 ZINC000578515641 599948720 /nfs/dbraw/zinc/94/87/20/599948720.db2.gz CGBXKZZLAPWHON-ZDUSSCGKSA-N -1 1 343.427 3.545 20 0 EHADMM CCc1n[nH]c(S[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000830335790 600836379 /nfs/dbraw/zinc/83/63/79/600836379.db2.gz XTVZNLSFNNEUHW-JTQLQIEISA-N -1 1 332.212 3.592 20 0 EHADMM CCc1nc(S[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n[nH]1 ZINC000830335790 600836382 /nfs/dbraw/zinc/83/63/82/600836382.db2.gz XTVZNLSFNNEUHW-JTQLQIEISA-N -1 1 332.212 3.592 20 0 EHADMM Cc1cc(CN2CCC(OCC3CCCCC3)CC2)oc1C(=O)[O-] ZINC000832882974 600837311 /nfs/dbraw/zinc/83/73/11/600837311.db2.gz ONRFXRKICWAHKX-UHFFFAOYSA-N -1 1 335.444 3.848 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1nc2ccccc2s1)c1ccccc1 ZINC000826055327 601203708 /nfs/dbraw/zinc/20/37/08/601203708.db2.gz YTZWYUQEYRZLFN-PXAZEXFGSA-N -1 1 326.421 3.848 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1nc2ccccc2s1)c1ccccc1 ZINC000826055329 601203759 /nfs/dbraw/zinc/20/37/59/601203759.db2.gz YTZWYUQEYRZLFN-SJKOYZFVSA-N -1 1 326.421 3.848 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1nc2ccccc2s1)c1ccccc1 ZINC000826055330 601204070 /nfs/dbraw/zinc/20/40/70/601204070.db2.gz YTZWYUQEYRZLFN-YVEFUNNKSA-N -1 1 326.421 3.848 20 0 EHADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ncc(-c2cccc(F)c2)o1 ZINC000248563382 601353224 /nfs/dbraw/zinc/35/32/24/601353224.db2.gz OOXIPTWFGNTWON-WQVCFCJDSA-N -1 1 344.386 3.698 20 0 EHADMM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1nc2ccccc2o1 ZINC000659794827 601431498 /nfs/dbraw/zinc/43/14/98/601431498.db2.gz YCHWEZZAKMLTSZ-HOCLYGCPSA-N -1 1 328.412 3.683 20 0 EHADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1nc2ccccc2o1 ZINC000659794828 601431699 /nfs/dbraw/zinc/43/16/99/601431699.db2.gz YCHWEZZAKMLTSZ-ZBFHGGJFSA-N -1 1 328.412 3.683 20 0 EHADMM Cc1cc(CN2CC[C@H](OCCCc3ccccc3)C2)oc1C(=O)[O-] ZINC000578777947 601464751 /nfs/dbraw/zinc/46/47/51/601464751.db2.gz ABSAHZIHWLILEN-KRWDZBQOSA-N -1 1 343.423 3.510 20 0 EHADMM CCN(Cc1cc(C(=O)[O-])sc1C)Cc1ccc(OC)cc1OC ZINC000829722998 601623135 /nfs/dbraw/zinc/62/31/35/601623135.db2.gz WPHILRYDYHQMRS-UHFFFAOYSA-N -1 1 349.452 3.794 20 0 EHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000826055317 601651310 /nfs/dbraw/zinc/65/13/10/601651310.db2.gz YNWZMIPRXJUGNM-SJKOYZFVSA-N -1 1 343.814 3.539 20 0 EHADMM O=C([O-])Nc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000740715918 602653404 /nfs/dbraw/zinc/65/34/04/602653404.db2.gz HLEKQMBGKNMOQF-UHFFFAOYSA-N -1 1 342.376 3.731 20 0 EHADMM CN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCN(C(=O)[O-])CC1 ZINC000828423093 603991604 /nfs/dbraw/zinc/99/16/04/603991604.db2.gz WVKKMFIDHURQFK-UHFFFAOYSA-N -1 1 349.818 3.569 20 0 EHADMM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000825442971 604004369 /nfs/dbraw/zinc/00/43/69/604004369.db2.gz USBYEBOLEDIYKO-SECBINFHSA-N -1 1 334.759 3.627 20 0 EHADMM Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830936991 604232090 /nfs/dbraw/zinc/23/20/90/604232090.db2.gz RUESPRRPDORXTE-XJKSGUPXSA-N -1 1 343.427 3.518 20 0 EHADMM C[C@H](Oc1ccc(CN2CCc3sccc3[C@@H]2C)cc1)C(=O)[O-] ZINC000833539717 604523476 /nfs/dbraw/zinc/52/34/76/604523476.db2.gz HWLIVWHLLKUENN-STQMWFEESA-N -1 1 331.437 3.719 20 0 EHADMM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN1CC[C@H](C(=O)[O-])C1 ZINC000833512254 604545013 /nfs/dbraw/zinc/54/50/13/604545013.db2.gz RVZXNWYSERQOAA-ZDUSSCGKSA-N -1 1 347.846 3.556 20 0 EHADMM C[C@H](c1ccco1)N(Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)C1CC1 ZINC000833538167 604608000 /nfs/dbraw/zinc/60/80/00/604608000.db2.gz QZJVTFDISSRULZ-KGLIPLIRSA-N -1 1 329.396 3.857 20 0 EHADMM CN(C)c1cccc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000830643390 604769923 /nfs/dbraw/zinc/76/99/23/604769923.db2.gz GCBXPYSNTNROCU-RBUKOAKNSA-N -1 1 342.414 3.855 20 0 EHADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1F ZINC000833769686 604807525 /nfs/dbraw/zinc/80/75/25/604807525.db2.gz GTPNRUWKHJGNDV-UHFFFAOYSA-N -1 1 349.268 3.590 20 0 EHADMM CCCOc1ccc([C@@H](C)NCc2cc(C(=O)[O-])oc2C)cc1OC ZINC000833652120 605076657 /nfs/dbraw/zinc/07/66/57/605076657.db2.gz LSBBSBWAJWLKRR-GFCCVEGCSA-N -1 1 347.411 3.934 20 0 EHADMM C[C@@](CNC(=O)[O-])(NCc1coc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000824954266 605169449 /nfs/dbraw/zinc/16/94/49/605169449.db2.gz ZGYMDWPLDXKFNE-KRWDZBQOSA-N -1 1 349.818 3.521 20 0 EHADMM C[C@](CNC(=O)[O-])(NCc1coc(-c2cccc(Cl)c2)n1)C1CC1 ZINC000824952985 605169637 /nfs/dbraw/zinc/16/96/37/605169637.db2.gz SPDBKPDCKFFDAL-QGZVFWFLSA-N -1 1 349.818 3.521 20 0 EHADMM O=C(Oc1ccccc1-c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823454039 606177301 /nfs/dbraw/zinc/17/73/01/606177301.db2.gz JOFPWDQODIPYBV-UHFFFAOYSA-N -1 1 348.387 3.814 20 0 EHADMM O=C(Oc1ccccc1-c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823454039 606177303 /nfs/dbraw/zinc/17/73/03/606177303.db2.gz JOFPWDQODIPYBV-UHFFFAOYSA-N -1 1 348.387 3.814 20 0 EHADMM CC[C@H](C)Oc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000820875990 606413019 /nfs/dbraw/zinc/41/30/19/606413019.db2.gz JSXXLFIQVVPUTQ-NSHDSACASA-N -1 1 329.429 3.718 20 0 EHADMM c1cnc(Oc2ccc(OC3CCCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823809940 606433616 /nfs/dbraw/zinc/43/36/16/606433616.db2.gz SCXMNBYPFLPPPC-UHFFFAOYSA-N -1 1 337.383 3.766 20 0 EHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)c(Cl)c1 ZINC000820461483 606439988 /nfs/dbraw/zinc/43/99/88/606439988.db2.gz KVOCLBWIMZENFX-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000820461483 606439990 /nfs/dbraw/zinc/43/99/90/606439990.db2.gz KVOCLBWIMZENFX-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820827352 606442735 /nfs/dbraw/zinc/44/27/35/606442735.db2.gz RTZRRNWVEDAZEK-NSHDSACASA-N -1 1 348.435 3.600 20 0 EHADMM C[C@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820827352 606442736 /nfs/dbraw/zinc/44/27/36/606442736.db2.gz RTZRRNWVEDAZEK-NSHDSACASA-N -1 1 348.435 3.600 20 0 EHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1Cl ZINC000824662043 607894587 /nfs/dbraw/zinc/89/45/87/607894587.db2.gz AXZOVSZYCPLDEX-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1Cl ZINC000824662043 607894588 /nfs/dbraw/zinc/89/45/88/607894588.db2.gz AXZOVSZYCPLDEX-MRVPVSSYSA-N -1 1 335.198 3.742 20 0 EHADMM Clc1ccc2sc(NCc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC000826352753 609266310 /nfs/dbraw/zinc/26/63/10/609266310.db2.gz MYJYTNXDAJCAAG-UHFFFAOYSA-N -1 1 348.844 3.803 20 0 EHADMM O=C([O-])CC1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000322258873 970864660 /nfs/dbraw/zinc/86/46/60/970864660.db2.gz MMKOBARNAVUGEM-UHFFFAOYSA-N -1 1 334.803 3.682 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000323753727 971035195 /nfs/dbraw/zinc/03/51/95/971035195.db2.gz VJBGFZVGWRMPJW-DGCLKSJQSA-N -1 1 334.803 3.680 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000263165217 950305591 /nfs/dbraw/zinc/30/55/91/950305591.db2.gz RDAZNTXPRJLZTR-AWEZNQCLSA-N -1 1 347.846 3.603 20 0 EHADMM CC(C)CCCCCC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574195019 950969936 /nfs/dbraw/zinc/96/99/36/950969936.db2.gz GBRUSBDBWGDZQF-UHFFFAOYSA-N -1 1 342.856 3.522 20 0 EHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2c(F)cccc2Br)C1 ZINC000394775738 951456172 /nfs/dbraw/zinc/45/61/72/951456172.db2.gz IVSXMOCZGXBTNU-OAHLLOKOSA-N -1 1 344.224 3.665 20 0 EHADMM O=C([O-])c1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000903690630 956870160 /nfs/dbraw/zinc/87/01/60/956870160.db2.gz LKKJPJUXJNUEFM-SNVBAGLBSA-N -1 1 327.327 3.641 20 0 EHADMM CC(C)N(CCC(=O)[O-])Cc1cc(Cl)ccc1Br ZINC000090252723 958095150 /nfs/dbraw/zinc/09/51/50/958095150.db2.gz BPKNHRWHZDHEMI-UHFFFAOYSA-N -1 1 334.641 3.788 20 0 EHADMM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001573391236 958702528 /nfs/dbraw/zinc/70/25/28/958702528.db2.gz SOGHPZMBWZZOGG-VIFPVBQESA-N -1 1 344.198 3.555 20 0 EHADMM C[C@]1(C(=O)[O-])CCCN(Cc2cc(Br)ccc2Cl)C1 ZINC000235769100 960491852 /nfs/dbraw/zinc/49/18/52/960491852.db2.gz GCBREEWAMFHNLZ-AWEZNQCLSA-N -1 1 346.652 3.789 20 0 EHADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(C(=O)c2cccs2)CC1 ZINC001326546894 961107994 /nfs/dbraw/zinc/10/79/94/961107994.db2.gz IOQUPDNRDDRBGM-INIZCTEOSA-N -1 1 347.411 3.608 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1 ZINC001334136186 961761160 /nfs/dbraw/zinc/76/11/60/961761160.db2.gz ALOGDRRXUAMYBG-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM C[C@H]1CCN(Cc2cc(Br)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000583499279 968480810 /nfs/dbraw/zinc/48/08/10/968480810.db2.gz ADSLRWFGHAFFCE-CABZTGNLSA-N -1 1 346.652 3.645 20 0 EHADMM COc1cc(Cl)c(CN[C@H](C(=O)[O-])c2cccs2)cc1Cl ZINC000426799161 974048847 /nfs/dbraw/zinc/04/88/47/974048847.db2.gz HOVJAKALPRPNPD-ZDUSSCGKSA-N -1 1 346.235 3.979 20 0 EHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(Br)s1 ZINC000050925011 1027978552 /nfs/dbraw/zinc/97/85/52/1027978552.db2.gz QZJHPDHGKVBAFV-JTQLQIEISA-N -1 1 332.263 3.730 20 0 EHADMM Cc1ccc(-c2csc(CN3CCC4(C[C@H]4C(=O)[O-])CC3)n2)cc1 ZINC000580456573 974894681 /nfs/dbraw/zinc/89/46/81/974894681.db2.gz IOYZXDOXBGUWBD-HNNXBMFYSA-N -1 1 342.464 3.805 20 0 EHADMM COc1cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)ccc1Cl ZINC000630460653 975265623 /nfs/dbraw/zinc/26/56/23/975265623.db2.gz PVCSDGGCCQIBIJ-UHFFFAOYSA-N -1 1 346.814 3.609 20 0 EHADMM O=C([O-])CCC1CCN(Cc2ncc(-c3ccccc3)s2)CC1 ZINC000652348958 975514662 /nfs/dbraw/zinc/51/46/62/975514662.db2.gz WZBKSDJSFQKHAF-UHFFFAOYSA-N -1 1 330.453 3.887 20 0 EHADMM CC(C)c1nc([C@@H]2CCCCN2C[C@@H]2CCCC[C@H]2C(=O)[O-])no1 ZINC001592016197 976702467 /nfs/dbraw/zinc/70/24/67/976702467.db2.gz XPKDSNPRKRUVFX-ZNMIVQPWSA-N -1 1 335.448 3.611 20 0 EHADMM C[C@H]1c2c(F)cccc2CCN1CCOc1ccccc1C(=O)[O-] ZINC000768782025 978739885 /nfs/dbraw/zinc/73/98/85/978739885.db2.gz POGIVZHLHIJWRI-ZDUSSCGKSA-N -1 1 329.371 3.522 20 0 EHADMM O=C([O-])c1csc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000872159102 980042215 /nfs/dbraw/zinc/04/22/15/980042215.db2.gz NDSVIIUVMRMDPN-CYBMUJFWSA-N -1 1 347.411 3.680 20 0 EHADMM CC[C@H](N[C@H](CCO)c1ccccc1F)c1ccc(C(=O)[O-])cc1 ZINC001595280966 980327789 /nfs/dbraw/zinc/32/77/89/980327789.db2.gz GBTDHOZLLFSUIV-ZWKOTPCHSA-N -1 1 331.387 3.688 20 0 EHADMM Cc1c(CN[C@H](C(=O)[O-])c2cccs2)sc2nc(C)nc(C)c12 ZINC000901598341 980400716 /nfs/dbraw/zinc/40/07/16/980400716.db2.gz OBVIXSWTQKKPOB-AWEZNQCLSA-N -1 1 347.465 3.594 20 0 EHADMM C[C@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000901622481 980410105 /nfs/dbraw/zinc/41/01/05/980410105.db2.gz NZERFQKOPHPWPD-XIKOKIGWSA-N -1 1 331.362 3.752 20 0 EHADMM CC[C@](NCc1cc(C)cc(C)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299151 980424497 /nfs/dbraw/zinc/42/44/97/980424497.db2.gz LQWBXRQOAMZWAJ-GOSISDBHSA-N -1 1 332.831 3.832 20 0 EHADMM CC[C@](NCc1ccc(C)c(OC)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300465 980434965 /nfs/dbraw/zinc/43/49/65/980434965.db2.gz QOZXDKBSMROQTF-GOSISDBHSA-N -1 1 348.830 3.532 20 0 EHADMM Cc1cccc2[nH]c(CNCc3ccc(C(=O)[O-])c(C4CC4)n3)cc21 ZINC000901828703 980548736 /nfs/dbraw/zinc/54/87/36/980548736.db2.gz MIOKFMBZUUFDHF-UHFFFAOYSA-N -1 1 335.407 3.737 20 0 EHADMM O=C([O-])c1cnc(C2CCN(C/C=C\c3ccc(F)cc3)CC2)s1 ZINC000901929146 980634689 /nfs/dbraw/zinc/63/46/89/980634689.db2.gz AYIDYMXKTKRRIA-UPHRSURJSA-N -1 1 346.427 3.873 20 0 EHADMM CCc1oc(CNCc2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000902087474 980726594 /nfs/dbraw/zinc/72/65/94/980726594.db2.gz LKVPMJNEAJXXTP-UHFFFAOYSA-N -1 1 343.301 3.729 20 0 EHADMM CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cc(C(=O)[O-])c(C)o1 ZINC000902267687 980809389 /nfs/dbraw/zinc/80/93/89/980809389.db2.gz HLPIFCHDGXIXHV-QFYYESIMSA-N -1 1 337.803 3.805 20 0 EHADMM CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902270989 980811137 /nfs/dbraw/zinc/81/11/37/980811137.db2.gz XKFRPCPBXWIXEY-TVYURILXSA-N -1 1 349.814 3.897 20 0 EHADMM O=C([O-])COc1ccc(CNCc2ccsc2C(F)(F)F)cc1 ZINC000902494360 980909808 /nfs/dbraw/zinc/90/98/08/980909808.db2.gz RGWNAXCFFSVPDQ-UHFFFAOYSA-N -1 1 345.342 3.520 20 0 EHADMM C[C@H](c1ccc(F)cc1F)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923937 981040718 /nfs/dbraw/zinc/04/07/18/981040718.db2.gz DXBKYQVGWNGTIJ-NXEZZACHSA-N -1 1 338.379 3.670 20 0 EHADMM O=C([O-])c1cnc([C@@H]2CCN(Cc3ccc(Cl)cc3F)C2)s1 ZINC000903928816 981048817 /nfs/dbraw/zinc/04/88/17/981048817.db2.gz YHCCZGUAMHDSTF-SNVBAGLBSA-N -1 1 340.807 3.623 20 0 EHADMM Cc1cc(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)oc1C(=O)[O-] ZINC000905778909 981150089 /nfs/dbraw/zinc/15/00/89/981150089.db2.gz YUNICUSCJGPZRK-HXUWFJFHSA-N -1 1 339.391 3.727 20 0 EHADMM CCN(Cc1cc(C(=O)[O-])c2n1CCCC2)[C@@H](C)c1cccc(O)c1 ZINC001596354602 983821593 /nfs/dbraw/zinc/82/15/93/983821593.db2.gz ZWGPHBWWKNDVIX-AWEZNQCLSA-N -1 1 342.439 3.811 20 0 EHADMM CCN(Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)Cc1ccccc1F ZINC001596364973 983856539 /nfs/dbraw/zinc/85/65/39/983856539.db2.gz SEAPRRXYIFPUIM-AWEZNQCLSA-N -1 1 331.387 3.700 20 0 EHADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC001599942733 985474975 /nfs/dbraw/zinc/47/49/75/985474975.db2.gz BSFBEQHFTVUPNK-FZKQIMNGSA-N -1 1 340.423 3.642 20 0 EHADMM CCOc1ccc(Cl)cc1C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001597105282 986735265 /nfs/dbraw/zinc/73/52/65/986735265.db2.gz DYINNUKVGTWDIG-SFHVURJKSA-N -1 1 345.826 3.923 20 0 EHADMM CCOc1ccc(Cl)cc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001597105282 986735274 /nfs/dbraw/zinc/73/52/74/986735274.db2.gz DYINNUKVGTWDIG-SFHVURJKSA-N -1 1 345.826 3.923 20 0 EHADMM CCOc1ccc2nc(SCCc3ccccc3C(=O)[O-])[nH]c2c1 ZINC001597146273 986910310 /nfs/dbraw/zinc/91/03/10/986910310.db2.gz XNQGBTYWPIGGOA-UHFFFAOYSA-N -1 1 342.420 3.995 20 0 EHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2c(Cl)ccnc2Cl)C1 ZINC001589616065 987474113 /nfs/dbraw/zinc/47/41/13/987474113.db2.gz CRTDUWOQIRGJAO-JTQLQIEISA-N -1 1 331.243 3.711 20 0 EHADMM CC[C@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(C)c(F)c1 ZINC001597349739 987487724 /nfs/dbraw/zinc/48/77/24/987487724.db2.gz VSEJWIWIYLKDKZ-HNNXBMFYSA-N -1 1 341.386 3.950 20 0 EHADMM CCOc1cc(C(=O)N[C@H](CC)[C@H]2CCCCO2)cc(Cl)c1[O-] ZINC000655344859 1015378781 /nfs/dbraw/zinc/37/87/81/1015378781.db2.gz OGBVSHVAVRIURA-ZIAGYGMSSA-N -1 1 341.835 3.522 20 0 EHADMM CCc1oc(CN[C@@H](C)c2cccc(N3CCCC3)c2)cc1C(=O)[O-] ZINC001597799671 989383919 /nfs/dbraw/zinc/38/39/19/989383919.db2.gz RPHFSHMDGCGAGD-AWEZNQCLSA-N -1 1 342.439 3.991 20 0 EHADMM COc1cccc2c1CCC[C@@H]2NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001599690552 991061776 /nfs/dbraw/zinc/06/17/76/991061776.db2.gz JQMBYPROMPYFNI-HNNXBMFYSA-N -1 1 346.814 3.609 20 0 EHADMM CN(C)c1cccc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001598335479 991389824 /nfs/dbraw/zinc/38/98/24/991389824.db2.gz MRSGZINKXLVXGQ-SJORKVTESA-N -1 1 330.453 3.777 20 0 EHADMM CN(Cc1cccc(Cl)c1Br)C(C)(C)CC(=O)[O-] ZINC001598526161 992724460 /nfs/dbraw/zinc/72/44/60/992724460.db2.gz PDTFKZJJMBMOFX-UHFFFAOYSA-N -1 1 334.641 3.788 20 0 EHADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccccc1OC(F)F ZINC000255026880 1015788992 /nfs/dbraw/zinc/78/89/92/1015788992.db2.gz QZDVABNKSYHPRE-KTKRTIGZSA-N -1 1 343.326 3.840 20 0 EHADMM COc1ccc(OC2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001599606859 993897871 /nfs/dbraw/zinc/89/78/71/993897871.db2.gz RUOFBYXSJXWOOO-ZDUSSCGKSA-N -1 1 345.395 3.591 20 0 EHADMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccns1 ZINC001593194745 994140422 /nfs/dbraw/zinc/14/04/22/994140422.db2.gz MOMOSOSTTIPSAW-PELKAZGASA-N -1 1 330.331 3.638 20 0 EHADMM C[C@@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cncc(C(=O)[O-])c1 ZINC001593208999 994231761 /nfs/dbraw/zinc/23/17/61/994231761.db2.gz GUYQWOYTVOSWPJ-BZNIZROVSA-N -1 1 344.386 3.872 20 0 EHADMM C[C@@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC001593246115 994447188 /nfs/dbraw/zinc/44/71/88/994447188.db2.gz HDHQCMVDPPMGMA-KOLCDFICSA-N -1 1 344.358 3.838 20 0 EHADMM C[C@H](NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593246269 994449514 /nfs/dbraw/zinc/44/95/14/994449514.db2.gz JKTGGQNXJKIAMT-SDBXPKJASA-N -1 1 344.194 3.669 20 0 EHADMM COc1cccc([C@@H](N[C@@H](C)c2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC001599659178 994629938 /nfs/dbraw/zinc/62/99/38/994629938.db2.gz HPEJZEFNICUSEU-MGPLVRAMSA-N -1 1 337.778 3.964 20 0 EHADMM C[C@H](NCc1ccc(Br)o1)c1cc(C(=O)[O-])cs1 ZINC001593292024 994673685 /nfs/dbraw/zinc/67/36/85/994673685.db2.gz GFCKBZRTRPDYBE-ZETCQYMHSA-N -1 1 330.203 3.653 20 0 EHADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@@H](C2CCCCC2)C1 ZINC001598710297 995340549 /nfs/dbraw/zinc/34/05/49/995340549.db2.gz ASNNBELVRZBGQI-MSOLQXFVSA-N -1 1 345.439 3.501 20 0 EHADMM O=C(CSc1nnc2sc3ccccc3n12)c1ccc([O-])cc1 ZINC000016763571 1015954957 /nfs/dbraw/zinc/95/49/57/1015954957.db2.gz RHGANSVEEFUOAI-UHFFFAOYSA-N -1 1 341.417 3.625 20 0 EHADMM C[C@H](c1ccc(Cl)cc1)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593693148 996142914 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CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182880254 1032146858 /nfs/dbraw/zinc/14/68/58/1032146858.db2.gz TYNODEAMOIVSED-UHFFFAOYSA-N -1 1 347.802 3.584 20 0 EHADMM O=C([O-])c1cccc2c1CCN(CCCc1c(F)cccc1F)C2 ZINC000659792323 1017022699 /nfs/dbraw/zinc/02/26/99/1017022699.db2.gz YMSZZXRXKWGVPN-UHFFFAOYSA-N -1 1 331.362 3.654 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000181904443 1017023530 /nfs/dbraw/zinc/02/35/30/1017023530.db2.gz AXDQUMVANGDOHK-LJQANCHMSA-N -1 1 336.366 3.578 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3[nH]cnc3c2)c1 ZINC000183600337 1032209875 /nfs/dbraw/zinc/20/98/75/1032209875.db2.gz DFEFXZXUUQZQFN-UHFFFAOYSA-N -1 1 346.184 3.592 20 0 EHADMM COc1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)ccc1F ZINC000461330788 1032404098 /nfs/dbraw/zinc/40/40/98/1032404098.db2.gz FIZWAWJGEUJANZ-UHFFFAOYSA-N -1 1 335.400 3.903 20 0 EHADMM CC(C)CC(C)(C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000084622203 1032445273 /nfs/dbraw/zinc/44/52/73/1032445273.db2.gz 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EHADMM CC[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1F ZINC000129092780 1018915095 /nfs/dbraw/zinc/91/50/95/1018915095.db2.gz SMCUTGUQFDPLPP-MRXNPFEDSA-N -1 1 342.345 3.687 20 0 EHADMM Cc1nc(CC(C)C)c([N-]S(=O)(=O)Cc2cccc(C)c2)s1 ZINC000340641247 1019045490 /nfs/dbraw/zinc/04/54/90/1019045490.db2.gz CKWDUOGNCYHQHJ-UHFFFAOYSA-N -1 1 338.498 3.900 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](C)C(C)C)cc1 ZINC000172580060 1032809843 /nfs/dbraw/zinc/80/98/43/1032809843.db2.gz IZJXIZOHEDGDCZ-AWEZNQCLSA-N -1 1 346.500 3.715 20 0 EHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC000340672087 1019146959 /nfs/dbraw/zinc/14/69/59/1019146959.db2.gz BDXVKQRNBMWEDB-AWEZNQCLSA-N -1 1 327.302 3.912 20 0 EHADMM CC(C)(C)Cc1csc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000580678657 1019841837 /nfs/dbraw/zinc/84/18/37/1019841837.db2.gz LZDNAHGOKOFREN-UHFFFAOYSA-N -1 1 326.368 3.968 20 0 EHADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1=CCCC1 ZINC000119325742 1032889664 /nfs/dbraw/zinc/88/96/64/1032889664.db2.gz QMCFUELPMNRKQI-UHFFFAOYSA-N -1 1 342.420 3.536 20 0 EHADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000606903761 1032895274 /nfs/dbraw/zinc/89/52/74/1032895274.db2.gz KRWLCRICVLBYKA-QMMMGPOBSA-N -1 1 341.782 3.683 20 0 EHADMM O=C(NCCC(c1ccccc1)c1ccccc1)c1cncc([O-])c1 ZINC000135725559 1032941806 /nfs/dbraw/zinc/94/18/06/1032941806.db2.gz YDOGPRCETUHLQN-UHFFFAOYSA-N -1 1 332.403 3.739 20 0 EHADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)CC[C@H]1C(F)(F)F ZINC000581456447 1020929626 /nfs/dbraw/zinc/92/96/26/1020929626.db2.gz GDYTXLYAARNRGK-SNVBAGLBSA-N -1 1 337.288 3.721 20 0 EHADMM O=C(Cc1ccc(F)c(Br)c1)Nc1c([O-])cccc1F ZINC000605438366 1021128690 /nfs/dbraw/zinc/12/86/90/1021128690.db2.gz DRGFCRJNPHTGKK-UHFFFAOYSA-N -1 1 342.139 3.614 20 0 EHADMM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1c([O-])cccc1F ZINC000605440399 1021142216 /nfs/dbraw/zinc/14/22/16/1021142216.db2.gz RBXBJGNQINWIDA-UHFFFAOYSA-N -1 1 344.317 3.897 20 0 EHADMM Cc1ccnc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1C1CC1 ZINC000656740066 1021237554 /nfs/dbraw/zinc/23/75/54/1021237554.db2.gz YCMMSAMMCLWAHX-UHFFFAOYSA-N -1 1 336.844 3.863 20 0 EHADMM O=C(Nc1ccc(-c2ncon2)cc1)c1cc2ccccc2cc1[O-] ZINC000436793814 1021237849 /nfs/dbraw/zinc/23/78/49/1021237849.db2.gz TTXCPHHQKZRMBA-UHFFFAOYSA-N -1 1 331.331 3.848 20 0 EHADMM Cc1cnc(C(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)c([O-])c1 ZINC000427235417 1021242856 /nfs/dbraw/zinc/24/28/56/1021242856.db2.gz WELQJYXGZPALFD-MRXNPFEDSA-N -1 1 330.403 3.574 20 0 EHADMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000436818850 1021245584 /nfs/dbraw/zinc/24/55/84/1021245584.db2.gz CCDCRXXFQGAOJF-NHYWBVRUSA-N -1 1 325.836 3.617 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C1CCOCC1 ZINC000436812763 1021257563 /nfs/dbraw/zinc/25/75/63/1021257563.db2.gz CFNQLTVAKJGTGY-SFHVURJKSA-N -1 1 325.408 3.577 20 0 EHADMM CC[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])c2cccc(Cl)c2O1 ZINC000436838801 1021281647 /nfs/dbraw/zinc/28/16/47/1021281647.db2.gz LPJJKLNNLFRPFK-LLVKDONJSA-N -1 1 333.771 3.569 20 0 EHADMM Cc1ccc2c(c1)CC[C@H](c1nc(-c3ccc([O-])cc3F)no1)O2 ZINC000436870704 1021311187 /nfs/dbraw/zinc/31/11/87/1021311187.db2.gz FHOUKXYPCYOKEE-MRXNPFEDSA-N -1 1 326.327 3.956 20 0 EHADMM CCOc1cc(-c2noc([C@H]3[C@@H](C)C3(F)F)n2)cc(Cl)c1[O-] ZINC000436871266 1021311445 /nfs/dbraw/zinc/31/14/45/1021311445.db2.gz JSHSVKBGEDBTIS-LHLIQPBNSA-N -1 1 330.718 3.863 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3CCCN3c3ccccc3)n2)c(F)c1 ZINC000436875210 1021316490 /nfs/dbraw/zinc/31/64/90/1021316490.db2.gz SYQJBMADCYUSSZ-MRXNPFEDSA-N -1 1 325.343 3.923 20 0 EHADMM COc1ccc(F)c2[nH]c(-c3nc(-c4ccc([O-])c(F)c4)no3)cc21 ZINC000436876902 1021324707 /nfs/dbraw/zinc/32/47/07/1021324707.db2.gz CCLFCXAJCYHJNB-UHFFFAOYSA-N -1 1 343.289 3.877 20 0 EHADMM CCn1c(NC(=O)c2cc3ccccc3cc2[O-])nc2cccnc21 ZINC000436880698 1021330700 /nfs/dbraw/zinc/33/07/00/1021330700.db2.gz PLKNMUNNUSPKQX-UHFFFAOYSA-N -1 1 332.363 3.562 20 0 EHADMM O=c1ccnc(C(=Cc2ccc([O-])c(Cl)c2)Cc2ccccc2)[nH]1 ZINC000436887400 1021340858 /nfs/dbraw/zinc/34/08/58/1021340858.db2.gz JNKZJMOVQFYDIE-PTNGSMBKSA-N -1 1 338.794 3.912 20 0 EHADMM O=C(Nc1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1)C1CC1 ZINC000436904905 1021349518 /nfs/dbraw/zinc/34/95/18/1021349518.db2.gz RBNLKPAZYJIIPL-UHFFFAOYSA-N -1 1 339.326 3.597 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000436930789 1021367526 /nfs/dbraw/zinc/36/75/26/1021367526.db2.gz IKIFESAVJPBQMG-LJQANCHMSA-N -1 1 343.810 3.656 20 0 EHADMM [O-]c1cccc(CN2CCc3c(cnn3-c3ccccc3)C2)c1Cl ZINC000507581142 1021369548 /nfs/dbraw/zinc/36/95/48/1021369548.db2.gz GKHNINICJNGIJR-UHFFFAOYSA-N -1 1 339.826 3.790 20 0 EHADMM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000436917135 1021373619 /nfs/dbraw/zinc/37/36/19/1021373619.db2.gz ACZLDRMJQKAIBB-WMZOPIPTSA-N -1 1 331.799 3.514 20 0 EHADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000436946056 1021405845 /nfs/dbraw/zinc/40/58/45/1021405845.db2.gz CERKMZAOTXNTMV-HWPZZCPQSA-N -1 1 337.778 3.691 20 0 EHADMM Cc1ccc(-c2cccc(CNC(=O)C(=O)c3ccc([O-])cc3)c2)cc1 ZINC000436946444 1021407158 /nfs/dbraw/zinc/40/71/58/1021407158.db2.gz POTSLJDGGBCTEQ-UHFFFAOYSA-N -1 1 345.398 3.867 20 0 EHADMM O=C(CC1(C(F)(F)F)CC1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000519017605 1021773721 /nfs/dbraw/zinc/77/37/21/1021773721.db2.gz XINBWNIAVWDFGZ-UHFFFAOYSA-N -1 1 349.765 3.885 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416261464 1021895536 /nfs/dbraw/zinc/89/55/36/1021895536.db2.gz UUQVWHQMZNOZOP-CQSZACIVSA-N -1 1 335.325 3.657 20 0 EHADMM CCC(CC)(C(=O)Nc1ccc([O-])c(F)c1F)C(=O)OC(C)(C)C ZINC000593739348 1033022936 /nfs/dbraw/zinc/02/29/36/1033022936.db2.gz YUCFBPMZTPAIDE-UHFFFAOYSA-N -1 1 343.370 3.757 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC000126127245 1022154303 /nfs/dbraw/zinc/15/43/03/1022154303.db2.gz FALJVEPDERRNGR-UHFFFAOYSA-N -1 1 340.404 3.628 20 0 EHADMM O=C([O-])CCCCCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000520416369 1022234488 /nfs/dbraw/zinc/23/44/88/1022234488.db2.gz ABVCRKRJZDNELV-HNNXBMFYSA-N -1 1 345.361 3.724 20 0 EHADMM C[C@H](C(=O)[O-])N(Cc1cc(-c2ccc(Cl)cc2)no1)C1CCC1 ZINC000517588161 1022476372 /nfs/dbraw/zinc/47/63/72/1022476372.db2.gz INBADWIHFPKTIZ-LLVKDONJSA-N -1 1 334.803 3.823 20 0 EHADMM CCc1n[nH]c([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1C ZINC000438226618 1022486063 /nfs/dbraw/zinc/48/60/63/1022486063.db2.gz NQWGXPHFXDVASS-UHFFFAOYSA-N -1 1 349.843 3.888 20 0 EHADMM Cc1ccccc1C=C([O-])Nc1nc(-c2ccccc2Cl)ns1 ZINC000517646628 1022533861 /nfs/dbraw/zinc/53/38/61/1022533861.db2.gz ANGFTSZSRVNZNA-UHFFFAOYSA-N -1 1 343.839 3.770 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cc(F)ccc1Cl ZINC000126829845 1022855111 /nfs/dbraw/zinc/85/51/11/1022855111.db2.gz RCNDWHOIKTVAQA-UHFFFAOYSA-N -1 1 343.811 3.661 20 0 EHADMM CCCN(C(=O)c1csc(=NC2CC2)[n-]1)[C@@H]1CCc2ccccc21 ZINC000426138474 1022972045 /nfs/dbraw/zinc/97/20/45/1022972045.db2.gz IGHZCUXCWAUKJC-QGZVFWFLSA-N -1 1 341.480 3.679 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438802442 1023006434 /nfs/dbraw/zinc/00/64/34/1023006434.db2.gz CTKVYKNEIYGYJD-UHFFFAOYSA-N -1 1 347.436 3.725 20 0 EHADMM O=C(NCC1CCC(F)(F)CC1)c1ccc(Br)c([O-])c1 ZINC000506370457 1023014005 /nfs/dbraw/zinc/01/40/05/1023014005.db2.gz MJRGOTRPYZIEMJ-UHFFFAOYSA-N -1 1 348.187 3.710 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3C)cc2s1 ZINC000438815304 1023015290 /nfs/dbraw/zinc/01/52/90/1023015290.db2.gz QXGQMYHCAYMOTD-UHFFFAOYSA-N -1 1 336.413 3.853 20 0 EHADMM COc1ccccc1[C@@H](NCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000426775824 1023036794 /nfs/dbraw/zinc/03/67/94/1023036794.db2.gz CUWZSVWQRHWYKR-OAHLLOKOSA-N -1 1 339.313 3.630 20 0 EHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(OCC(C)C)cc2)o1 ZINC000426786389 1023048186 /nfs/dbraw/zinc/04/81/86/1023048186.db2.gz VERNRJYXPSVSEG-KRWDZBQOSA-N -1 1 331.412 3.928 20 0 EHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccsc2Cl)c1 ZINC000426789753 1023049620 /nfs/dbraw/zinc/04/96/20/1023049620.db2.gz 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ZINC000162821124 1023129588 /nfs/dbraw/zinc/12/95/88/1023129588.db2.gz GMXNYHPLNNNTSY-UHFFFAOYSA-N -1 1 347.503 3.664 20 0 EHADMM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473853382 1023190548 /nfs/dbraw/zinc/19/05/48/1023190548.db2.gz IDBWKNRFGGKPCJ-ZETCQYMHSA-N -1 1 326.220 3.599 20 0 EHADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000933921688 1023394784 /nfs/dbraw/zinc/39/47/84/1023394784.db2.gz ZYJSHZMDPPTTGQ-JSGCOSHPSA-N -1 1 327.380 3.725 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1C1CC1 ZINC000548477716 1023441555 /nfs/dbraw/zinc/44/15/55/1023441555.db2.gz ZLUMHGAGMHAXLR-UHFFFAOYSA-N -1 1 329.421 3.703 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000092602151 1023463852 /nfs/dbraw/zinc/46/38/52/1023463852.db2.gz WCSXICBREJLIHW-UHFFFAOYSA-N -1 1 331.799 3.804 20 0 EHADMM Cc1cccc(CS(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000096659593 1023481926 /nfs/dbraw/zinc/48/19/26/1023481926.db2.gz VUTSLPKHOBASPI-UHFFFAOYSA-N -1 1 329.343 3.956 20 0 EHADMM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000133479066 1023490679 /nfs/dbraw/zinc/49/06/79/1023490679.db2.gz ROQMSFMVFDPCGP-MNOVXSKESA-N -1 1 344.274 3.559 20 0 EHADMM O=C([O-])C[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccsc1 ZINC000277053317 1023724753 /nfs/dbraw/zinc/72/47/53/1023724753.db2.gz SOICMMMSDPGWGF-AWEZNQCLSA-N -1 1 337.828 3.642 20 0 EHADMM COC(=O)c1ccc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)o1 ZINC000342057656 1023809622 /nfs/dbraw/zinc/80/96/22/1023809622.db2.gz CXPFXEGAZJBRMN-UHFFFAOYSA-N -1 1 329.686 3.559 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000172813811 1033177262 /nfs/dbraw/zinc/17/72/62/1033177262.db2.gz LFUGDDFQNLSABJ-OAHLLOKOSA-N -1 1 345.826 3.725 20 0 EHADMM O=C([O-])CC1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000093680751 1023999044 /nfs/dbraw/zinc/99/90/44/1023999044.db2.gz DHHVDBUWUABUJX-UHFFFAOYSA-N -1 1 332.227 3.559 20 0 EHADMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000897797079 1033181697 /nfs/dbraw/zinc/18/16/97/1033181697.db2.gz JNZSOQBEMJLBRD-CQSZACIVSA-N -1 1 343.423 3.671 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1F ZINC000351771965 1024131803 /nfs/dbraw/zinc/13/18/03/1024131803.db2.gz XEJVRFARLYPVDJ-UHFFFAOYSA-N -1 1 346.383 3.630 20 0 EHADMM O=C(Nc1ccc(Br)cc1F)c1cc(F)ccc1[O-] ZINC000128582834 1024276669 /nfs/dbraw/zinc/27/66/69/1024276669.db2.gz IDBOTYTXAFSKNM-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=C([O-])c1ccc(CNCc2cc3c(cccc3F)[nH]2)nc1C1CC1 ZINC000417699691 1024384015 /nfs/dbraw/zinc/38/40/15/1024384015.db2.gz HSQMTCUXEGHTHD-UHFFFAOYSA-N -1 1 339.370 3.567 20 0 EHADMM CCc1nc(SCc2ccc(OC(F)F)cc2)[n-]c(=O)c1C ZINC000657264962 1024439823 /nfs/dbraw/zinc/43/98/23/1024439823.db2.gz XSQAPRXCVWPKEM-UHFFFAOYSA-N -1 1 326.368 3.947 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H](C)c1ccccc1 ZINC000474199179 1024568742 /nfs/dbraw/zinc/56/87/42/1024568742.db2.gz PMUWPJASAJDNMZ-WDEREUQCSA-N -1 1 343.370 3.574 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(-c2cccs2)on1 ZINC000342273888 1024681569 /nfs/dbraw/zinc/68/15/69/1024681569.db2.gz ZNFBZTQYIVFIHC-UHFFFAOYSA-N -1 1 342.405 3.529 20 0 EHADMM CCCc1cc(=O)[n-]c(S[C@@H](C(=O)NC(C)(C)CC)C(C)C)n1 ZINC000514985027 1024944299 /nfs/dbraw/zinc/94/42/99/1024944299.db2.gz LKICBTGVWWQDKK-CQSZACIVSA-N -1 1 339.505 3.556 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1cccc(Cl)c1 ZINC000474429652 1024951300 /nfs/dbraw/zinc/95/13/00/1024951300.db2.gz GTPRWFUWKIEIMI-UHFFFAOYSA-N -1 1 339.848 3.912 20 0 EHADMM CCc1nc(C(=O)[N-]c2c(F)cc(Br)cc2F)co1 ZINC000346775495 1025112448 /nfs/dbraw/zinc/11/24/48/1025112448.db2.gz XENRUHDSISXSCR-UHFFFAOYSA-N -1 1 331.116 3.530 20 0 EHADMM CCC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000505721367 1025204203 /nfs/dbraw/zinc/20/42/03/1025204203.db2.gz YZLFNVBIZBZTGQ-OAHLLOKOSA-N -1 1 327.380 3.701 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc(C)c1Cl ZINC000442224205 1025220640 /nfs/dbraw/zinc/22/06/40/1025220640.db2.gz STHDUYMZWAPRLW-UHFFFAOYSA-N -1 1 337.828 3.788 20 0 EHADMM CCOc1cc(C(=O)N2Cc3ccc(C)cc3C2)cc(Cl)c1[O-] ZINC000435933118 1025228466 /nfs/dbraw/zinc/22/84/66/1025228466.db2.gz DMJQHUWMBKWAOQ-UHFFFAOYSA-N -1 1 331.799 3.909 20 0 EHADMM Cc1nc(-c2ccc(N[C@H]3CCCc4cccnc43)nc2)[n-]c(=O)c1C ZINC000896419701 1025431082 /nfs/dbraw/zinc/43/10/82/1025431082.db2.gz OEUHPPDOAJTHAF-INIZCTEOSA-N -1 1 347.422 3.746 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c1 ZINC000451085226 1025525285 /nfs/dbraw/zinc/52/52/85/1025525285.db2.gz CHOWBYJUJWPLHM-UHFFFAOYSA-N -1 1 347.436 3.867 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(C)c1 ZINC000442842706 1025529132 /nfs/dbraw/zinc/52/91/32/1025529132.db2.gz IJVCUXLLPWSKNZ-UHFFFAOYSA-N -1 1 331.393 3.941 20 0 EHADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1cc(F)cc(Cl)c1 ZINC000342461136 1025654345 /nfs/dbraw/zinc/65/43/45/1025654345.db2.gz KAWYNKXEHNXPGH-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM CCOc1cc(C)ccc1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443079289 1025706506 /nfs/dbraw/zinc/70/65/06/1025706506.db2.gz YWYRIAOKYDIPIJ-UHFFFAOYSA-N -1 1 349.814 3.691 20 0 EHADMM COc1cc(C(=O)NC2(Cc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000443112116 1025723691 /nfs/dbraw/zinc/72/36/91/1025723691.db2.gz RVVPRNIARNANLR-UHFFFAOYSA-N -1 1 331.799 3.559 20 0 EHADMM COc1cc(-c2nc(-c3ccc4c(c3)CCO4)no2)cc(Cl)c1[O-] ZINC000443098744 1025729013 /nfs/dbraw/zinc/72/90/13/1025729013.db2.gz QADJBAYBWDILQG-UHFFFAOYSA-N -1 1 344.754 3.706 20 0 EHADMM CN(CCN(C)c1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436481120 1025755906 /nfs/dbraw/zinc/75/59/06/1025755906.db2.gz PFTQELXEQFFWTC-UHFFFAOYSA-N -1 1 334.419 3.754 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1 ZINC000436476477 1025771614 /nfs/dbraw/zinc/77/16/14/1025771614.db2.gz FVTFRSDHPFZPJB-UHFFFAOYSA-N -1 1 331.315 3.520 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(-c3ccoc3)c2)c1 ZINC000436502640 1025796362 /nfs/dbraw/zinc/79/63/62/1025796362.db2.gz FAULCXDRWWRADC-UHFFFAOYSA-N -1 1 337.331 3.691 20 0 EHADMM CC(C)[C@H](NC(=O)c1c([O-])cccc1F)c1nc2ccccc2[nH]1 ZINC000436513190 1025811042 /nfs/dbraw/zinc/81/10/42/1025811042.db2.gz LXQYRAMNUGUYSO-INIZCTEOSA-N -1 1 327.359 3.535 20 0 EHADMM COc1cc(C(=O)N2Cc3ccccc3C3(CC3)C2)cc(Cl)c1[O-] ZINC000443222211 1025825719 /nfs/dbraw/zinc/82/57/19/1025825719.db2.gz MMWCTMGZIYMYRD-UHFFFAOYSA-N -1 1 343.810 3.742 20 0 EHADMM CCn1c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc2ccccc21 ZINC000515983816 1025829791 /nfs/dbraw/zinc/82/97/91/1025829791.db2.gz MAJKBHQGGGKESR-UHFFFAOYSA-N -1 1 336.420 3.787 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC=C(c2ccncc2)C1 ZINC000436538217 1025868802 /nfs/dbraw/zinc/86/88/02/1025868802.db2.gz SQXVJWYYEKWWDJ-UHFFFAOYSA-N -1 1 330.387 3.870 20 0 EHADMM CO[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccc(Cl)cc1 ZINC000436560567 1025886408 /nfs/dbraw/zinc/88/64/08/1025886408.db2.gz CEQZYKSUARQNSV-HNNXBMFYSA-N -1 1 340.206 3.817 20 0 EHADMM COc1cc(C(=O)NC[C@H](C)Oc2cccc(C)c2)cc(Cl)c1[O-] ZINC000443294585 1025888505 /nfs/dbraw/zinc/88/85/05/1025888505.db2.gz LIGLOWUWWJTRST-LBPRGKRZSA-N -1 1 349.814 3.560 20 0 EHADMM CCNC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436567419 1025896639 /nfs/dbraw/zinc/89/66/39/1025896639.db2.gz XJTMUSIGBIOJFC-UHFFFAOYSA-N -1 1 326.396 3.518 20 0 EHADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])[C@H]1c1ccccc1 ZINC000436571775 1025903586 /nfs/dbraw/zinc/90/35/86/1025903586.db2.gz DUDXYGSJMWXZEB-MEDUHNTESA-N -1 1 346.224 3.988 20 0 EHADMM CN1CCN(C(=O)c2ccc3ccccc3c2[O-])c2ccc(F)cc21 ZINC000436572425 1025905457 /nfs/dbraw/zinc/90/54/57/1025905457.db2.gz FYTMLVVPZZYNRT-UHFFFAOYSA-N -1 1 336.366 3.781 20 0 EHADMM CC(C)Oc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436574181 1025908495 /nfs/dbraw/zinc/90/84/95/1025908495.db2.gz FUCZAZKRFWJBHS-UHFFFAOYSA-N -1 1 336.391 3.658 20 0 EHADMM COCCN(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CC[C@H](C)C1 ZINC000436595559 1025913575 /nfs/dbraw/zinc/91/35/75/1025913575.db2.gz MTDZWIZLCTUFBS-WMLDXEAASA-N -1 1 327.424 3.823 20 0 EHADMM COCCN(C(=O)c1cc2ccccc2cc1[O-])[C@H]1CC[C@@H](C)C1 ZINC000436595531 1025913687 /nfs/dbraw/zinc/91/36/87/1025913687.db2.gz 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O=S(=O)([N-]Cc1ccc(Cl)cc1)c1cc2cc(F)ccc2o1 ZINC001184613267 1133965739 /nfs/dbraw/zinc/96/57/39/1133965739.db2.gz IFFMZYMNERCYIH-UHFFFAOYSA-N -1 1 339.775 3.704 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2cccnc2Cl)c(F)cc1Cl ZINC001184879014 1134001692 /nfs/dbraw/zinc/00/16/92/1134001692.db2.gz WPQZWHPSJSHGOM-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)c(F)c1 ZINC001185421543 1134082724 /nfs/dbraw/zinc/08/27/24/1134082724.db2.gz UULUEJJHVJFIJP-UHFFFAOYSA-N -1 1 337.397 3.850 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2ccccc2c(Cl)n1 ZINC000788158431 1134090373 /nfs/dbraw/zinc/09/03/73/1134090373.db2.gz JLWWGXVHXFYPAA-UHFFFAOYSA-N -1 1 334.162 3.895 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCCC1(F)F)c1cc2ccccc2s1 ZINC001185473235 1134094972 /nfs/dbraw/zinc/09/49/72/1134094972.db2.gz IHPITYFRPMJTRU-GFCCVEGCSA-N -1 1 331.409 3.758 20 0 EHADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccccc3C(C)(C)C)c2C1 ZINC000788216292 1134096674 /nfs/dbraw/zinc/09/66/74/1134096674.db2.gz HHAPZYFTVVVIRN-UHFFFAOYSA-N -1 1 344.480 3.730 20 0 EHADMM CSc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)ccn1 ZINC001185499724 1134100060 /nfs/dbraw/zinc/10/00/60/1134100060.db2.gz PJGURNDFFOLSLQ-UHFFFAOYSA-N -1 1 328.846 3.566 20 0 EHADMM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cc2cc(F)ccc2o1 ZINC001185855361 1134144267 /nfs/dbraw/zinc/14/42/67/1134144267.db2.gz TZJLWMGVPXNSLT-OAHLLOKOSA-N -1 1 349.358 3.677 20 0 EHADMM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185996684 1134154593 /nfs/dbraw/zinc/15/45/93/1134154593.db2.gz LXUDKJWKXILOEI-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM O=C(N[C@H]1CC[C@@H](OCc2ccccc2)CC1)c1ccc([O-])cc1F ZINC001186349114 1134199412 /nfs/dbraw/zinc/19/94/12/1134199412.db2.gz XIFXZSDLSFWUPV-WOVMCDHWSA-N -1 1 343.398 3.789 20 0 EHADMM O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccc([O-])cc1F ZINC001186337704 1134203977 /nfs/dbraw/zinc/20/39/77/1134203977.db2.gz QYVAPLNMCWUXMA-UHFFFAOYSA-N -1 1 348.337 3.722 20 0 EHADMM O=C(NC/C(=C/F)CCc1ccc(F)cc1)c1ccc([O-])cc1F ZINC001186339841 1134204794 /nfs/dbraw/zinc/20/47/94/1134204794.db2.gz QKHGCZMRCXEELR-JLHYYAGUSA-N -1 1 335.325 3.886 20 0 EHADMM O=C(Nc1cccc(Br)c1)Nc1ccc(F)cc1[O-] ZINC001187465342 1134337378 /nfs/dbraw/zinc/33/73/78/1134337378.db2.gz QBBWHRQYNMCWFG-UHFFFAOYSA-N -1 1 325.137 3.938 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(C(F)(F)F)c(F)c1 ZINC000790047033 1134364250 /nfs/dbraw/zinc/36/42/50/1134364250.db2.gz AJQZESLQTWPDCG-UHFFFAOYSA-N -1 1 334.656 3.851 20 0 EHADMM C[C@@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001187759891 1134381367 /nfs/dbraw/zinc/38/13/67/1134381367.db2.gz FDTUSSZGDDUWIV-NOZJJQNGSA-N -1 1 335.391 3.597 20 0 EHADMM O=C([N-]c1cc(Cl)nnc1Cl)c1ncsc1C(F)(F)F ZINC001188208056 1134441793 /nfs/dbraw/zinc/44/17/93/1134441793.db2.gz ZIBQCQJQKSGIFU-UHFFFAOYSA-N -1 1 343.117 3.511 20 0 EHADMM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1ncccc1C1CC1 ZINC001189075497 1134542399 /nfs/dbraw/zinc/54/23/99/1134542399.db2.gz JNEIHVGOSNKWGX-UHFFFAOYSA-N -1 1 336.844 3.597 20 0 EHADMM CC(=O)c1ccccc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189103171 1134544610 /nfs/dbraw/zinc/54/46/10/1134544610.db2.gz FHWNXUOQMAFCCX-UHFFFAOYSA-N -1 1 337.828 3.527 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(C(F)F)c2)c(F)c1 ZINC001189229774 1134554566 /nfs/dbraw/zinc/55/45/66/1134554566.db2.gz SQIFAZSUTJQMDV-UHFFFAOYSA-N -1 1 347.333 3.689 20 0 EHADMM CC(C)Oc1ccccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189309125 1134568669 /nfs/dbraw/zinc/56/86/69/1134568669.db2.gz JQFUPGASNDGKNO-UHFFFAOYSA-N -1 1 341.379 3.694 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1F ZINC001190499371 1134714607 /nfs/dbraw/zinc/71/46/07/1134714607.db2.gz DGHVGEGCLGZNJR-UHFFFAOYSA-N -1 1 333.384 3.707 20 0 EHADMM Cc1noc2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc12 ZINC001190499357 1134714900 /nfs/dbraw/zinc/71/49/00/1134714900.db2.gz CRTQIFZOSNSGMT-UHFFFAOYSA-N -1 1 328.393 3.814 20 0 EHADMM CC(C)c1ccoc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000792616668 1134736147 /nfs/dbraw/zinc/73/61/47/1134736147.db2.gz OCOGPKBXVQBXHI-UHFFFAOYSA-N -1 1 328.320 3.572 20 0 EHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000077899172 1134793142 /nfs/dbraw/zinc/79/31/42/1134793142.db2.gz CBKMGWATZNRQOS-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cccc(C2CC2)n1 ZINC001191873257 1134938549 /nfs/dbraw/zinc/93/85/49/1134938549.db2.gz SCRFUWVFPUXOEH-UHFFFAOYSA-N -1 1 340.807 3.693 20 0 EHADMM Cc1nc(SC(F)F)sc1CC(=O)Nc1c([O-])cccc1F ZINC000793737333 1134987966 /nfs/dbraw/zinc/98/79/66/1134987966.db2.gz ZAMIBYMIMKLTMA-UHFFFAOYSA-N -1 1 348.371 3.792 20 0 EHADMM CC(=O)Nc1ccc(NC(=O)c2cc([O-])cc(F)c2F)cc1Cl ZINC001192664497 1135047198 /nfs/dbraw/zinc/04/71/98/1135047198.db2.gz AGJTWSMLINDQQP-UHFFFAOYSA-N -1 1 340.713 3.535 20 0 EHADMM O=C(c1cc([O-])cc(F)c1F)N1CCc2c3ccccc3oc2C1 ZINC001192665010 1135047750 /nfs/dbraw/zinc/04/77/50/1135047750.db2.gz IOZUUPAIGVTIQC-UHFFFAOYSA-N -1 1 329.302 3.615 20 0 EHADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001129639335 1135125404 /nfs/dbraw/zinc/12/54/04/1135125404.db2.gz LEECNYBECXPPMH-NXEZZACHSA-N -1 1 349.843 3.518 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Br)c1 ZINC001193757227 1135182798 /nfs/dbraw/zinc/18/27/98/1135182798.db2.gz RVMRRXWWXOQMOE-UHFFFAOYSA-N -1 1 344.205 3.697 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)c2ccccc12 ZINC001193834193 1135190929 /nfs/dbraw/zinc/19/09/29/1135190929.db2.gz WERGZKPERYWDNY-UHFFFAOYSA-N -1 1 337.404 3.597 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2F)c2ccccc12 ZINC001193834607 1135191163 /nfs/dbraw/zinc/19/11/63/1135191163.db2.gz QYJXJYDMRGBKDK-UHFFFAOYSA-N -1 1 334.347 3.622 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(O)c2)c2ccccc12 ZINC001193857635 1135197015 /nfs/dbraw/zinc/19/70/15/1135197015.db2.gz NMAKWVIPAFYHOP-UHFFFAOYSA-N -1 1 331.368 3.794 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccsc2)cc1 ZINC001193935276 1135201525 /nfs/dbraw/zinc/20/15/25/1135201525.db2.gz WQADBAYCXDRAEN-UHFFFAOYSA-N -1 1 330.434 3.798 20 0 EHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1F ZINC001193924968 1135205301 /nfs/dbraw/zinc/20/53/01/1135205301.db2.gz ZQECJROCEJVJMG-UHFFFAOYSA-N -1 1 342.395 3.876 20 0 EHADMM O=C(Nc1cc2ccc([O-])cc2oc1=O)Oc1ccc(Cl)cc1 ZINC001194033328 1135218123 /nfs/dbraw/zinc/21/81/23/1135218123.db2.gz NSIAWRCMUHCRTN-UHFFFAOYSA-N -1 1 331.711 3.763 20 0 EHADMM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc(F)ccc1Cl ZINC001194091269 1135231452 /nfs/dbraw/zinc/23/14/52/1135231452.db2.gz DVMURDDFCCZJMM-UHFFFAOYSA-N -1 1 340.763 3.562 20 0 EHADMM CC(C)Oc1cccc([N-]S(=O)(=O)Cc2noc3ccccc23)c1 ZINC001194093004 1135231499 /nfs/dbraw/zinc/23/14/99/1135231499.db2.gz PQCUVGKZJYVLAA-UHFFFAOYSA-N -1 1 346.408 3.557 20 0 EHADMM O=S(=O)(Cc1noc2ccccc21)[N-]c1ccc2occc2c1 ZINC001194101134 1135233230 /nfs/dbraw/zinc/23/32/30/1135233230.db2.gz VKZKEQPJZAJCJJ-UHFFFAOYSA-N -1 1 328.349 3.516 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(-c2cnn(C)c2)cc1 ZINC001194602981 1135291232 /nfs/dbraw/zinc/29/12/32/1135291232.db2.gz LLGDWWQXHJQCFK-UHFFFAOYSA-N -1 1 341.436 3.505 20 0 EHADMM O=C(Nc1ccc(-c2cccnc2)cc1)c1c[n-]c(C(F)(F)F)n1 ZINC001194782800 1135315618 /nfs/dbraw/zinc/31/56/18/1135315618.db2.gz WKVLSDBIKJPFHI-UHFFFAOYSA-N -1 1 332.285 3.743 20 0 EHADMM CC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195073448 1135364233 /nfs/dbraw/zinc/36/42/33/1135364233.db2.gz BLDQDSHUSDJGEH-UHFFFAOYSA-N -1 1 333.913 3.623 20 0 EHADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c1 ZINC001195154400 1135382528 /nfs/dbraw/zinc/38/25/28/1135382528.db2.gz YZYNSNMJXWKNRC-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM Cc1ccc(CCCO)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195159276 1135384483 /nfs/dbraw/zinc/38/44/83/1135384483.db2.gz MMDAVLLQRLLVEW-UHFFFAOYSA-N -1 1 347.480 3.844 20 0 EHADMM C=CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195169148 1135386644 /nfs/dbraw/zinc/38/66/44/1135386644.db2.gz JTTHHCSDAHQWOV-UHFFFAOYSA-N -1 1 344.436 3.735 20 0 EHADMM O=C(NC1CCC(c2ccccc2)CC1)c1cc([O-])cnc1Cl ZINC001195306239 1135410923 /nfs/dbraw/zinc/41/09/23/1135410923.db2.gz QHIAHQCEDFOJJX-UHFFFAOYSA-N -1 1 330.815 3.897 20 0 EHADMM O=C(c1cc([O-])cnc1Cl)N1CCC[C@H](Cc2ccccc2)C1 ZINC001195306333 1135411120 /nfs/dbraw/zinc/41/11/20/1135411120.db2.gz XEFFPHZJCFIYJK-CQSZACIVSA-N -1 1 330.815 3.536 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000747396214 1135539336 /nfs/dbraw/zinc/53/93/36/1135539336.db2.gz YMLZUWUWUOOSQL-IBGZPJMESA-N -1 1 329.444 3.577 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1 ZINC001196718405 1135599870 /nfs/dbraw/zinc/59/98/70/1135599870.db2.gz DSEYFEDIQJEFTG-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cnccc2C2CCC2)c(C)c1 ZINC001196859466 1135624244 /nfs/dbraw/zinc/62/42/44/1135624244.db2.gz YVULZDKNSNVZAY-UHFFFAOYSA-N -1 1 346.452 3.775 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)nc1 ZINC001197494113 1135699582 /nfs/dbraw/zinc/69/95/82/1135699582.db2.gz AAUIXDZSFQOEEN-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccc(-c2nnco2)cc1 ZINC001197690387 1135725797 /nfs/dbraw/zinc/72/57/97/1135725797.db2.gz HGPHISLOAFEKRA-UHFFFAOYSA-N -1 1 349.268 3.713 20 0 EHADMM CSc1nc(NC(=S)Nc2ccc(C(C)C)cc2)cc(=O)[n-]1 ZINC001198592724 1135835145 /nfs/dbraw/zinc/83/51/45/1135835145.db2.gz XLRUVFQYSPJNCK-UHFFFAOYSA-N -1 1 334.470 3.836 20 0 EHADMM CCn1cc2cc([N-]S(=O)(=O)c3ccc4occc4c3)ccc2n1 ZINC001198860757 1135862387 /nfs/dbraw/zinc/86/23/87/1135862387.db2.gz BXLXYWXOSDNRRS-UHFFFAOYSA-N -1 1 341.392 3.603 20 0 EHADMM CCS(=O)(=O)c1ccc(F)c(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244550778 1135968674 /nfs/dbraw/zinc/96/86/74/1135968674.db2.gz LRRPUIGMBJRQMX-UHFFFAOYSA-N -1 1 328.792 3.954 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001170634327 1136079658 /nfs/dbraw/zinc/07/96/58/1136079658.db2.gz CIPWCGBYDAAJFZ-CTNGQTDRSA-N -1 1 347.414 3.884 20 0 EHADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000811836191 1136143221 /nfs/dbraw/zinc/14/32/21/1136143221.db2.gz HXRGGEXDFCQNNR-UHFFFAOYSA-N -1 1 340.832 3.631 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000107240612 1136163684 /nfs/dbraw/zinc/16/36/84/1136163684.db2.gz VZPJMKLMKSGTAQ-YRGRVCCFSA-N -1 1 330.211 3.671 20 0 EHADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000107240604 1136163891 /nfs/dbraw/zinc/16/38/91/1136163891.db2.gz VZPJMKLMKSGTAQ-SGMGOOAPSA-N -1 1 330.211 3.671 20 0 EHADMM C[C@H](C(=O)[N-]OCc1ccccc1)c1cccc(Br)c1 ZINC000812455382 1136210536 /nfs/dbraw/zinc/21/05/36/1136210536.db2.gz IRACIIYGWZTKFI-LBPRGKRZSA-N -1 1 334.213 3.801 20 0 EHADMM O=c1cc(C(F)F)nc(SCc2ccnc(Br)c2)[n-]1 ZINC000814766074 1136502050 /nfs/dbraw/zinc/50/20/50/1136502050.db2.gz CVHWTCDHEHLNMN-UHFFFAOYSA-N -1 1 348.172 3.570 20 0 EHADMM COc1ccc(NCc2cccc([O-])c2Cl)cc1N1CCOC1=O ZINC000815127880 1136554195 /nfs/dbraw/zinc/55/41/95/1136554195.db2.gz HVNNRQXMGIAMFZ-UHFFFAOYSA-N -1 1 348.786 3.623 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C(c1ccc(Cl)cc1)C(F)(F)F ZINC000816741303 1136751067 /nfs/dbraw/zinc/75/10/67/1136751067.db2.gz GMJBQJPMLZVMHY-UXBLZVDNSA-N -1 1 345.708 3.662 20 0 EHADMM Cc1ccoc1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000816982672 1136769760 /nfs/dbraw/zinc/76/97/60/1136769760.db2.gz OAFJDZCIXYXQDU-UHFFFAOYSA-N -1 1 346.383 3.571 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(C)(C)C)cn2)c1 ZINC000817242054 1136787891 /nfs/dbraw/zinc/78/78/91/1136787891.db2.gz DXLJJHHMOHFCET-UHFFFAOYSA-N -1 1 341.407 3.687 20 0 EHADMM O=C([N-]CC1(c2c(F)cccc2F)CCCC1)C(F)(F)C(F)F ZINC000857443240 1136871459 /nfs/dbraw/zinc/87/14/59/1136871459.db2.gz BACYEBIIJLKYNG-UHFFFAOYSA-N -1 1 339.279 3.793 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)on1 ZINC000857444475 1136871510 /nfs/dbraw/zinc/87/15/10/1136871510.db2.gz XKLSTMITVMLDNM-UHFFFAOYSA-N -1 1 335.137 3.698 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC001136165871 1136890267 /nfs/dbraw/zinc/89/02/67/1136890267.db2.gz OSDYBBLSAJBKBT-UHFFFAOYSA-N -1 1 327.380 3.975 20 0 EHADMM 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COc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)cc1OC ZINC000181090586 1139885218 /nfs/dbraw/zinc/88/52/18/1139885218.db2.gz VINUPXPYGWSYMT-INIZCTEOSA-N -1 1 345.370 3.526 20 0 EHADMM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc(-c2cccc(Cl)c2)on1 ZINC000184565709 1140109160 /nfs/dbraw/zinc/10/91/60/1140109160.db2.gz MKMQKEQUJALBER-UHFFFAOYSA-N -1 1 343.774 3.633 20 0 EHADMM CCC[C@H](N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000185035169 1140132696 /nfs/dbraw/zinc/13/26/96/1140132696.db2.gz QTSZLEKGHXIJIE-KDOFPFPSSA-N -1 1 340.423 3.524 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2CCOC)cc1 ZINC000191888828 1140491986 /nfs/dbraw/zinc/49/19/86/1140491986.db2.gz RJLORHUAGSNEHO-UHFFFAOYSA-N -1 1 333.453 3.629 20 0 EHADMM C[C@@H](CCC(=O)Nc1ccc([O-])c(Cl)c1)NC(=O)OC(C)(C)C ZINC000192438615 1140532057 /nfs/dbraw/zinc/53/20/57/1140532057.db2.gz OXSWHJMBVBDTNA-JTQLQIEISA-N -1 1 342.823 3.678 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@@H](C)c1ccccc1 ZINC000267041241 1140753488 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O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339119746 1141502536 /nfs/dbraw/zinc/50/25/36/1141502536.db2.gz JMQXKGQKCFTDEH-UHFFFAOYSA-N -1 1 345.761 3.756 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2c(cccc2F)[nH]1 ZINC000339133791 1141506536 /nfs/dbraw/zinc/50/65/36/1141506536.db2.gz NJKMIDFAFBKVKP-UHFFFAOYSA-N -1 1 336.326 3.655 20 0 EHADMM CC(C)c1ccc([C@H](C)CC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000283243922 1141577737 /nfs/dbraw/zinc/57/77/37/1141577737.db2.gz QJQLHOVWSLDBOX-ZYNBKEAPSA-N -1 1 336.439 3.598 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(Br)c(C)c2)c([O-])c1 ZINC000019807265 212071414 /nfs/dbraw/zinc/07/14/14/212071414.db2.gz LLHKXTACTOMPJX-UHFFFAOYSA-N -1 1 336.185 3.724 20 0 EHADMM Cc1nn(-c2ccccc2)c(CS[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000822486317 599131976 /nfs/dbraw/zinc/13/19/76/599131976.db2.gz GFOSDWKBBAFRKF-ZDUSSCGKSA-N -1 1 342.472 3.639 20 0 EHADMM CCCn1c2ccc(Cl)cc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000821142059 599155023 /nfs/dbraw/zinc/15/50/23/599155023.db2.gz CNKZRSCKYGIXDZ-UHFFFAOYSA-N -1 1 328.763 3.540 20 0 EHADMM CCCn1c2ccc(Cl)cc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000821142059 599155024 /nfs/dbraw/zinc/15/50/24/599155024.db2.gz CNKZRSCKYGIXDZ-UHFFFAOYSA-N -1 1 328.763 3.540 20 0 EHADMM CC(C)(C)[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735598221 599170874 /nfs/dbraw/zinc/17/08/74/599170874.db2.gz YETITOHSZPIJRI-SECBINFHSA-N -1 1 340.884 3.629 20 0 EHADMM CC(C)(C)[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735598221 599170875 /nfs/dbraw/zinc/17/08/75/599170875.db2.gz YETITOHSZPIJRI-SECBINFHSA-N -1 1 340.884 3.629 20 0 EHADMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532712150 597069938 /nfs/dbraw/zinc/06/99/38/597069938.db2.gz RPYGMIPYFWELEV-CVEARBPZSA-N -1 1 346.471 3.632 20 0 EHADMM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000819370650 597115781 /nfs/dbraw/zinc/11/57/81/597115781.db2.gz DOFPCHCGMDIMAR-LLVKDONJSA-N -1 1 347.798 3.526 20 0 EHADMM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000822787306 599543148 /nfs/dbraw/zinc/54/31/48/599543148.db2.gz XRUJBWMOWMAUAX-INIZCTEOSA-N -1 1 346.369 3.653 20 0 EHADMM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000822787306 599543150 /nfs/dbraw/zinc/54/31/50/599543150.db2.gz XRUJBWMOWMAUAX-INIZCTEOSA-N -1 1 346.369 3.653 20 0 EHADMM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683172519 599788080 /nfs/dbraw/zinc/78/80/80/599788080.db2.gz DNMKLKWNHBFJQA-KRWDZBQOSA-N -1 1 335.350 3.668 20 0 EHADMM CN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])CC(C)(C)C ZINC000737395627 599994806 /nfs/dbraw/zinc/99/48/06/599994806.db2.gz YBDBHEUFVWFTTJ-UHFFFAOYSA-N -1 1 347.242 3.608 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000737085436 600006869 /nfs/dbraw/zinc/00/68/69/600006869.db2.gz KPKKPLDBPNMGRR-QGZVFWFLSA-N -1 1 344.386 3.546 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000740076484 600083671 /nfs/dbraw/zinc/08/36/71/600083671.db2.gz ZQTFFPUTJBSKKB-OAHLLOKOSA-N -1 1 349.427 3.767 20 0 EHADMM O=C([O-])[C@@H]1CC12CCN(Cc1coc(-c3ccc(Cl)cc3)n1)CC2 ZINC000405357211 600300465 /nfs/dbraw/zinc/30/04/65/600300465.db2.gz KRFGGDNHAIHUOQ-HNNXBMFYSA-N -1 1 346.814 3.682 20 0 EHADMM Cc1cc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000570169159 600440968 /nfs/dbraw/zinc/44/09/68/600440968.db2.gz VBFVMQOUAVNGPE-CQSZACIVSA-N -1 1 345.370 3.520 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1Cl ZINC000238187327 600485374 /nfs/dbraw/zinc/48/53/74/600485374.db2.gz LKHGHZOXNMHKEC-UHFFFAOYSA-N -1 1 347.783 3.742 20 0 EHADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@H]1Cc1ccccc1C ZINC000738769281 600502581 /nfs/dbraw/zinc/50/25/81/600502581.db2.gz SOPADZCOEIJRNJ-HNNXBMFYSA-N -1 1 347.846 3.516 20 0 EHADMM CN(Cc1ccc(Br)s1)Cc1ccccc1C(=O)[O-] ZINC000737450887 600556810 /nfs/dbraw/zinc/55/68/10/600556810.db2.gz GLLUAOVHDOVJFU-UHFFFAOYSA-N -1 1 340.242 3.841 20 0 EHADMM CC[C@@](C)(NCC(=O)Nc1c(C(C)C)cccc1C(C)C)C(=O)[O-] ZINC000736864811 600560634 /nfs/dbraw/zinc/56/06/34/600560634.db2.gz YIAOLNGFBGKKSI-LJQANCHMSA-N -1 1 334.460 3.715 20 0 EHADMM O=C([O-])c1cc(NC(=O)c2cn[nH]c2-c2ccccc2)ccc1Cl ZINC000325077153 600856426 /nfs/dbraw/zinc/85/64/26/600856426.db2.gz ZAKFWJJVBAVHQO-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM CC1(C)[C@@H]2CN(Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C[C@@H]21 ZINC000578369641 600977002 /nfs/dbraw/zinc/97/70/02/600977002.db2.gz UFTBUIVKAOCHPQ-GASCZTMLSA-N -1 1 328.437 3.596 20 0 EHADMM Cc1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)oc1C(=O)[O-] ZINC000578777948 601464921 /nfs/dbraw/zinc/46/49/21/601464921.db2.gz ABSAHZIHWLILEN-QGZVFWFLSA-N -1 1 343.423 3.510 20 0 EHADMM O=C([O-])c1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1F ZINC000833314551 601615467 /nfs/dbraw/zinc/61/54/67/601615467.db2.gz LKWDYKDRDYJYML-CQSZACIVSA-N -1 1 349.427 3.767 20 0 EHADMM Cc1sc(C(=O)[O-])cc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000833030809 601671976 /nfs/dbraw/zinc/67/19/76/601671976.db2.gz CJQMIPLMSPMBLM-UHFFFAOYSA-N -1 1 331.422 3.832 20 0 EHADMM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000827735660 601833009 /nfs/dbraw/zinc/83/30/09/601833009.db2.gz XFNQAISEAQMSBL-NSHDSACASA-N -1 1 327.409 3.687 20 0 EHADMM COc1ccc2c(c1)C[N@H+](C/C=C(\C)C(=O)[O-])[C@H](c1ccccc1)C2 ZINC000832493796 602347924 /nfs/dbraw/zinc/34/79/24/602347924.db2.gz UTBNLJXTSURWJB-XIJQHFHMSA-N -1 1 337.419 3.826 20 0 EHADMM COc1ccc2c(c1)CN(C/C=C(\C)C(=O)[O-])[C@H](c1ccccc1)C2 ZINC000832493796 602347927 /nfs/dbraw/zinc/34/79/27/602347927.db2.gz UTBNLJXTSURWJB-XIJQHFHMSA-N -1 1 337.419 3.826 20 0 EHADMM C[C@H](NC(=O)[O-])C1CCN(Cc2cc3ccccc3nc2Cl)CC1 ZINC000739016118 602447286 /nfs/dbraw/zinc/44/72/86/602447286.db2.gz RPFXLTYHDOTYNB-LBPRGKRZSA-N -1 1 347.846 3.756 20 0 EHADMM Cc1c(Cl)c(CN2CC[C@@H](CN(C)C(=O)[O-])C2)nc2ccccc12 ZINC000740054154 602529676 /nfs/dbraw/zinc/52/96/76/602529676.db2.gz XOTDTZZZSWWGMR-ZDUSSCGKSA-N -1 1 347.846 3.628 20 0 EHADMM C[C@H](NCC[C@H]1CCCN(C(=O)[O-])C1)c1ncc(-c2ccccc2)o1 ZINC000825490915 603643323 /nfs/dbraw/zinc/64/33/23/603643323.db2.gz SDHDYYGQZJUECA-LSDHHAIUSA-N -1 1 343.427 3.772 20 0 EHADMM CN(Cc1csc(C2CCCC2)n1)C1CCC(NC(=O)[O-])CC1 ZINC000828417180 603787359 /nfs/dbraw/zinc/78/73/59/603787359.db2.gz XLIINHWITWDVSK-UHFFFAOYSA-N -1 1 337.489 3.811 20 0 EHADMM C[C@@H](Oc1ccc(CN(Cc2ccccc2F)C2CC2)cc1)C(=O)[O-] ZINC000833537517 604523360 /nfs/dbraw/zinc/52/33/60/604523360.db2.gz KQFXHBSZYHIFHB-CQSZACIVSA-N -1 1 343.398 3.842 20 0 EHADMM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)s1 ZINC000833754976 604637074 /nfs/dbraw/zinc/63/70/74/604637074.db2.gz SCYRNJSOGYVAHF-QWHCGFSZSA-N -1 1 348.468 3.805 20 0 EHADMM CCOc1ccc([C@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1OCC ZINC000833663449 605059439 /nfs/dbraw/zinc/05/94/39/605059439.db2.gz JPBVZYUPRHANKW-ZDUSSCGKSA-N -1 1 347.411 3.934 20 0 EHADMM C[C@H](C[C@H]1CCCN1C(=O)[O-])N[C@H](c1nccs1)c1ccccc1 ZINC000824768863 605494281 /nfs/dbraw/zinc/49/42/81/605494281.db2.gz QONLCQQXPXJYAA-BMFZPTHFSA-N -1 1 345.468 3.743 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(NC(=O)[O-])nc1)CCC2 ZINC000833865498 605618712 /nfs/dbraw/zinc/61/87/12/605618712.db2.gz DDSXMPKOTOOBGB-ZDUSSCGKSA-N -1 1 346.456 3.700 20 0 EHADMM O=C([O-])N[C@H](CN[C@@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000834150000 605621061 /nfs/dbraw/zinc/62/10/61/605621061.db2.gz KERUKDKFNFRQBN-UXHICEINSA-N -1 1 347.418 3.770 20 0 EHADMM C[C@H](CCN[C@H](c1cc2ccccc2o1)c1cccnc1)NC(=O)[O-] ZINC000833806514 605686211 /nfs/dbraw/zinc/68/62/11/605686211.db2.gz XVFYFWZVTDNEDC-ACJLOTCBSA-N -1 1 339.395 3.553 20 0 EHADMM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CCOc3ccc(F)cc32)c2ccccc21 ZINC000834156355 605801672 /nfs/dbraw/zinc/80/16/72/605801672.db2.gz BEESFLOWWYFNPN-GVDBMIGSSA-N -1 1 342.370 3.693 20 0 EHADMM O=C([O-])N1CCC([C@H](NCc2ccco2)c2ccc(F)cc2)CC1 ZINC000834074832 605983024 /nfs/dbraw/zinc/98/30/24/605983024.db2.gz NJWFUBPDPPUXET-QGZVFWFLSA-N -1 1 332.375 3.640 20 0 EHADMM C[C@H](c1ccccc1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820462125 606141891 /nfs/dbraw/zinc/14/18/91/606141891.db2.gz VDLMDQZKCHOXOR-IUCAKERBSA-N -1 1 334.836 3.581 20 0 EHADMM C[C@H](c1ccccc1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820462125 606141892 /nfs/dbraw/zinc/14/18/92/606141892.db2.gz VDLMDQZKCHOXOR-IUCAKERBSA-N -1 1 334.836 3.581 20 0 EHADMM Cc1cc([C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)ccc1F ZINC000822191846 606430964 /nfs/dbraw/zinc/43/09/64/606430964.db2.gz SIJADDJIJDXOQQ-SSDOTTSWSA-N -1 1 338.799 3.597 20 0 EHADMM Cc1cc([C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)ccc1F ZINC000822191846 606430966 /nfs/dbraw/zinc/43/09/66/606430966.db2.gz SIJADDJIJDXOQQ-SSDOTTSWSA-N -1 1 338.799 3.597 20 0 EHADMM Cc1cc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1F ZINC000822191312 606431195 /nfs/dbraw/zinc/43/11/95/606431195.db2.gz ICAJGWRBEKYTFB-SECBINFHSA-N -1 1 332.770 3.536 20 0 EHADMM Cc1cc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1F ZINC000822191312 606431196 /nfs/dbraw/zinc/43/11/96/606431196.db2.gz ICAJGWRBEKYTFB-SECBINFHSA-N -1 1 332.770 3.536 20 0 EHADMM Clc1ccc(CSc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822573735 606438742 /nfs/dbraw/zinc/43/87/42/606438742.db2.gz GQOMNJUQBRVWGP-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM Clc1ccc(CSc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822573735 606438744 /nfs/dbraw/zinc/43/87/44/606438744.db2.gz GQOMNJUQBRVWGP-UHFFFAOYSA-N -1 1 338.223 3.861 20 0 EHADMM C/C=C/c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c(OC)c1 ZINC000820831682 606439773 /nfs/dbraw/zinc/43/97/73/606439773.db2.gz AXDWJQANDOLZIL-ONEGZZNKSA-N -1 1 343.774 3.749 20 0 EHADMM C/C=C/c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c(OC)c1 ZINC000820831682 606439774 /nfs/dbraw/zinc/43/97/74/606439774.db2.gz AXDWJQANDOLZIL-ONEGZZNKSA-N -1 1 343.774 3.749 20 0 EHADMM Cc1ccc([C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)cc1F ZINC000822230466 606734126 /nfs/dbraw/zinc/73/41/26/606734126.db2.gz HMMGLOHMZQHSBZ-SSDOTTSWSA-N -1 1 338.799 3.597 20 0 EHADMM Cc1ccc([C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)cc1F ZINC000822230466 606734128 /nfs/dbraw/zinc/73/41/28/606734128.db2.gz HMMGLOHMZQHSBZ-SSDOTTSWSA-N -1 1 338.799 3.597 20 0 EHADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C3CCC3)c2)cs1 ZINC000359596855 971532531 /nfs/dbraw/zinc/53/25/31/971532531.db2.gz OTPBTGNCANJDII-UHFFFAOYSA-N -1 1 337.422 3.515 20 0 EHADMM COc1cc(Cl)c(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263055978 950235949 /nfs/dbraw/zinc/23/59/49/950235949.db2.gz LTWFUOOPKHMWRQ-MWLCHTKSSA-N -1 1 332.227 3.545 20 0 EHADMM CC(C)C[C@H](CNCc1csc(COc2ccccc2)n1)C(=O)[O-] ZINC000263475892 950482249 /nfs/dbraw/zinc/48/22/49/950482249.db2.gz JEZWYDADWRPYOB-CQSZACIVSA-N -1 1 348.468 3.559 20 0 EHADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccccc1C(C)C ZINC000389352359 972220904 /nfs/dbraw/zinc/22/09/04/972220904.db2.gz VSGVJUGRXPJRIK-UHFFFAOYSA-N -1 1 339.438 3.679 20 0 EHADMM O=C([O-])C[C@H]1CCCN1Cc1ccc(Br)cc1Cl ZINC000168221102 959374986 /nfs/dbraw/zinc/37/49/86/959374986.db2.gz RDEMLFONRUFQBO-LLVKDONJSA-N -1 1 332.625 3.542 20 0 EHADMM CCOc1ccc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)cc1OC ZINC001327322362 961154462 /nfs/dbraw/zinc/15/44/62/961154462.db2.gz BLTDTKVMIOVAGJ-LBPRGKRZSA-N -1 1 333.384 3.578 20 0 EHADMM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)c(OCC2CC2)c1 ZINC000263425737 962598607 /nfs/dbraw/zinc/59/86/07/962598607.db2.gz QKCDJCVRTJYSPL-UHFFFAOYSA-N -1 1 325.408 3.772 20 0 EHADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(Cl)ccc1OC(F)F ZINC000315101548 963856329 /nfs/dbraw/zinc/85/63/29/963856329.db2.gz ODDZABHFJQGCHR-GFCCVEGCSA-N -1 1 333.762 3.771 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2Br)C1 ZINC000263153010 967855514 /nfs/dbraw/zinc/85/55/14/967855514.db2.gz FMUAQSXKFHXBRO-KOLCDFICSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000584172169 968481562 /nfs/dbraw/zinc/48/15/62/968481562.db2.gz AYUXTVDSCWAOPE-UTUOFQBUSA-N -1 1 337.370 3.535 20 0 EHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1Br ZINC000263532192 1020506158 /nfs/dbraw/zinc/50/61/58/1020506158.db2.gz XDGIQFSPZJGYLP-VHSXEESVSA-N -1 1 346.652 3.788 20 0 EHADMM CCOc1ccc2nc(SCc3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC000320069592 970608901 /nfs/dbraw/zinc/60/89/01/970608901.db2.gz UMLBXUDYSJXSBP-UHFFFAOYSA-N -1 1 328.393 3.952 20 0 EHADMM O=C([O-])CCCCCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC001606156634 973409408 /nfs/dbraw/zinc/40/94/08/973409408.db2.gz QXRYBJAKKGTVAJ-UHFFFAOYSA-N -1 1 335.787 3.574 20 0 EHADMM Cc1ccnc(-c2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2)n1 ZINC000339284047 1014157875 /nfs/dbraw/zinc/15/78/75/1014157875.db2.gz PNWHHXPRSMDINS-UHFFFAOYSA-N -1 1 341.317 3.688 20 0 EHADMM Cc1cc(C)cc([C@@H](NCc2cnc(-c3ccccc3)[nH]2)C(=O)[O-])c1 ZINC000426756706 974046085 /nfs/dbraw/zinc/04/60/85/974046085.db2.gz MAKJUCMRKFBUCJ-GOSISDBHSA-N -1 1 335.407 3.609 20 0 EHADMM COc1cccc(-c2csc(CN3CCC[C@@H](CC(=O)[O-])C3)n2)c1 ZINC001604855118 974097280 /nfs/dbraw/zinc/09/72/80/974097280.db2.gz PLAPNQFZXQIAGV-ZDUSSCGKSA-N -1 1 346.452 3.505 20 0 EHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000565103396 974568831 /nfs/dbraw/zinc/56/88/31/974568831.db2.gz FVJHELDPCLVAOV-PSGMQZRDSA-N -1 1 347.430 3.694 20 0 EHADMM COc1cc(F)c(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1OC ZINC000565955241 974591500 /nfs/dbraw/zinc/59/15/00/974591500.db2.gz WMSDTKHRMQCRQD-MRXNPFEDSA-N -1 1 347.386 3.539 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)c(OC)c1 ZINC000566358325 974607639 /nfs/dbraw/zinc/60/76/39/974607639.db2.gz GRLBYERYWQCPGU-INIZCTEOSA-N -1 1 345.395 3.641 20 0 EHADMM CC[N@@H+](Cc1ccc(C(=O)[O-])cc1F)[C@H](COC)Cc1ccccc1 ZINC000567905870 974648430 /nfs/dbraw/zinc/64/84/30/974648430.db2.gz UXTNOOMIKZZURW-SFHVURJKSA-N -1 1 345.414 3.604 20 0 EHADMM O=C1NCCCN1c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000339315174 1014207899 /nfs/dbraw/zinc/20/78/99/1014207899.db2.gz PKZOGIYZZNTXCN-UHFFFAOYSA-N -1 1 331.803 3.577 20 0 EHADMM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000568296944 974668105 /nfs/dbraw/zinc/66/81/05/974668105.db2.gz ZMUOTOGHNHCCHS-CABCVRRESA-N -1 1 346.254 3.866 20 0 EHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])c(F)c2)CC[C@H]1C(F)(F)F ZINC000575816143 974802159 /nfs/dbraw/zinc/80/21/59/974802159.db2.gz XYEUVDIVZSYDGA-CYBMUJFWSA-N -1 1 333.325 3.934 20 0 EHADMM COCc1ccc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2C)o1 ZINC000576046261 974807325 /nfs/dbraw/zinc/80/73/25/974807325.db2.gz GGEXVHJSEHLVKL-AEFFLSMTSA-N -1 1 329.396 3.697 20 0 EHADMM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000578756516 974861013 /nfs/dbraw/zinc/86/10/13/974861013.db2.gz WXEZQWOIXVJPQN-DIFFPNOSSA-N -1 1 337.370 3.679 20 0 EHADMM Cc1cc(CN2CCC(c3cccc(F)c3F)CC2)oc1C(=O)[O-] ZINC000581731651 974915140 /nfs/dbraw/zinc/91/51/40/974915140.db2.gz KIYYCLSATGMBLY-UHFFFAOYSA-N -1 1 335.350 3.944 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000652400546 975523107 /nfs/dbraw/zinc/52/31/07/975523107.db2.gz CBFVDCNEOPNPIS-UHFFFAOYSA-N -1 1 343.423 3.946 20 0 EHADMM C[C@H](c1noc(-c2ccccc2)n1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652498574 975559942 /nfs/dbraw/zinc/55/99/42/975559942.db2.gz MLOKFOAFEZTUJT-UKRRQHHQSA-N -1 1 343.427 3.620 20 0 EHADMM C[C@@H](c1noc(-c2ccccc2)n1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652498575 975560482 /nfs/dbraw/zinc/56/04/82/975560482.db2.gz MLOKFOAFEZTUJT-ZFWWWQNUSA-N -1 1 343.427 3.620 20 0 EHADMM O=C([O-])c1ccc(OCCN2CCC(c3ccco3)CC2)c(Cl)c1 ZINC000656756352 975683938 /nfs/dbraw/zinc/68/39/38/975683938.db2.gz DIXPVQRNCXFQDV-UHFFFAOYSA-N -1 1 349.814 3.890 20 0 EHADMM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000659122782 975723647 /nfs/dbraw/zinc/72/36/47/975723647.db2.gz XZTPBGCCXHNTKL-UHFFFAOYSA-N -1 1 339.351 3.682 20 0 EHADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000320690904 1014491093 /nfs/dbraw/zinc/49/10/93/1014491093.db2.gz GPSLFUJQEWRAFD-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM Cc1cc(C)cc([C@H](NCc2ncccc2C(F)(F)F)C(=O)[O-])c1 ZINC000859817611 979650075 /nfs/dbraw/zinc/65/00/75/979650075.db2.gz JJFHWYXKOHFRCE-HNNXBMFYSA-N -1 1 338.329 3.633 20 0 EHADMM C[C@@H](Cc1ccc(NC(=O)c2c(O)cccc2Cl)cc1)C(=O)[O-] ZINC001592873513 979735826 /nfs/dbraw/zinc/73/58/26/979735826.db2.gz VJKNPQZCLHRGCV-JTQLQIEISA-N -1 1 333.771 3.561 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3ccc(C)nc3C3CC3)[nH][n-]2)s1 ZINC000579806980 1014647735 /nfs/dbraw/zinc/64/77/35/1014647735.db2.gz RPQHCMDDMFEHEA-UHFFFAOYSA-N -1 1 338.436 3.702 20 0 EHADMM Cc1cc(CNCc2ccc(C(F)(F)F)c(C)c2)oc1C(=O)[O-] ZINC000901942909 980642897 /nfs/dbraw/zinc/64/28/97/980642897.db2.gz NNYJBSROYPMEHD-UHFFFAOYSA-N -1 1 327.302 3.903 20 0 EHADMM CCc1oc(CN[C@H](C)c2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000902116154 980742076 /nfs/dbraw/zinc/74/20/76/980742076.db2.gz IMADWIDEPAJUOY-SNVBAGLBSA-N -1 1 339.338 3.992 20 0 EHADMM COc1ccc(CNCc2ccoc2C(=O)[O-])cc1OC1CCCC1 ZINC000902221359 980788957 /nfs/dbraw/zinc/78/89/57/980788957.db2.gz FAUCDEJTTHCSNS-UHFFFAOYSA-N -1 1 345.395 3.598 20 0 EHADMM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccc(OCC2CC2)c(F)c1 ZINC000902381608 980864689 /nfs/dbraw/zinc/86/46/89/980864689.db2.gz OSJAOBKGLAPZBB-GFCCVEGCSA-N -1 1 344.386 3.559 20 0 EHADMM CCC1(CC)CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001595374965 980890269 /nfs/dbraw/zinc/89/02/69/980890269.db2.gz HMDDLBVRWXTFHG-CQSZACIVSA-N -1 1 334.460 3.803 20 0 EHADMM Cc1ccccc1[C@]1(F)CCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000902453797 980895066 /nfs/dbraw/zinc/89/50/66/980895066.db2.gz SXPZNGZREQPSIY-FQEVSTJZSA-N -1 1 343.398 3.529 20 0 EHADMM O=C([O-])c1cccc(-c2nc(CN3CCC[C@H](CF)C3)cs2)c1 ZINC000903607539 980988695 /nfs/dbraw/zinc/98/86/95/980988695.db2.gz JLEREEMTYYOTJK-GFCCVEGCSA-N -1 1 334.416 3.690 20 0 EHADMM COc1ccc2oc([C@H](C)NCc3ccc(C(=O)[O-])cn3)c(C)c2c1 ZINC000905724970 981123730 /nfs/dbraw/zinc/12/37/30/981123730.db2.gz QXGACQGZQVJZLB-LBPRGKRZSA-N -1 1 340.379 3.694 20 0 EHADMM O=C([O-])c1ccc2c(c1)OCCN(CCc1ccc(F)cc1Cl)C2 ZINC000905805405 981160303 /nfs/dbraw/zinc/16/03/03/981160303.db2.gz ZBTFVMXJWQQSIP-UHFFFAOYSA-N -1 1 349.789 3.614 20 0 EHADMM CC[C@@H]1c2ccc(OC)c(OC)c2CCN1Cc1ccoc1C(=O)[O-] ZINC001595503877 981277599 /nfs/dbraw/zinc/27/75/99/981277599.db2.gz GDRNGAGKXILLOQ-OAHLLOKOSA-N -1 1 345.395 3.504 20 0 EHADMM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(Cl)c2F)cc1 ZINC000683171986 1014725509 /nfs/dbraw/zinc/72/55/09/1014725509.db2.gz RWZBRDCAMBQZEZ-HNNXBMFYSA-N -1 1 337.778 3.793 20 0 EHADMM CCC[C@@H]1CCCN([C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001595622583 981711667 /nfs/dbraw/zinc/71/16/67/981711667.db2.gz UXLOPUYCAIMBGG-CHWSQXEVSA-N -1 1 338.473 3.594 20 0 EHADMM CC1(C)CCCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000227510330 1014785676 /nfs/dbraw/zinc/78/56/76/1014785676.db2.gz JMOWNFBNGSECER-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM CC[C@H](C)[C@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)[O-] ZINC001594927931 982529389 /nfs/dbraw/zinc/52/93/89/982529389.db2.gz AAVBODSZZJAJRY-HZMBPMFUSA-N -1 1 331.441 3.552 20 0 EHADMM CCN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H](C)c1cccc(OC)c1 ZINC001596359534 983833709 /nfs/dbraw/zinc/83/37/09/983833709.db2.gz IFTKXFRHPRNHFC-VNDWYCCKSA-N -1 1 329.396 3.969 20 0 EHADMM COc1ccc(-c2nc(-c3cccc(Br)c3)no2)c([O-])c1 ZINC000109037197 1014986707 /nfs/dbraw/zinc/98/67/07/1014986707.db2.gz GTNMKXAAOHQYLB-UHFFFAOYSA-N -1 1 347.168 3.880 20 0 EHADMM Cc1[nH]c(C(=O)CN2CCCC[C@H]2CC2CCC2)c(C)c1C(=O)[O-] ZINC001599944153 985494129 /nfs/dbraw/zinc/49/41/29/985494129.db2.gz BUTOEYZUPFVNQD-HNNXBMFYSA-N -1 1 332.444 3.557 20 0 EHADMM C[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC2(CCCCC2)O1 ZINC001594499862 985668751 /nfs/dbraw/zinc/66/87/51/985668751.db2.gz GBHCDRVGLSNIMY-BBRMVZONSA-N -1 1 337.847 3.889 20 0 EHADMM CN(CCCc1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000047163765 1015150026 /nfs/dbraw/zinc/15/00/26/1015150026.db2.gz HWAIBECMRVGLNO-UHFFFAOYSA-N -1 1 348.240 3.860 20 0 EHADMM CCc1ccc(C2=CCN(Cc3cc(C(=O)[O-])c(C)n3C)CC2)cc1 ZINC001597516959 988130374 /nfs/dbraw/zinc/13/03/74/988130374.db2.gz ITXHJMNVDBBERN-UHFFFAOYSA-N -1 1 338.451 3.883 20 0 EHADMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(OC(F)(F)F)cc1 ZINC001599841548 988844837 /nfs/dbraw/zinc/84/48/37/988844837.db2.gz QUHVNDBAGMZNPX-SECBINFHSA-N -1 1 329.274 3.727 20 0 EHADMM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC001599841693 988848316 /nfs/dbraw/zinc/84/83/16/988848316.db2.gz DTLLSSITYGTNGL-SNVBAGLBSA-N -1 1 340.301 3.529 20 0 EHADMM CCc1oc(CN2CCS[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC001597800184 989389765 /nfs/dbraw/zinc/38/97/65/989389765.db2.gz YLBQMQFIRXIQOV-KRWDZBQOSA-N -1 1 331.437 3.830 20 0 EHADMM CC(C)(C)c1[nH]ncc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001590537048 990150693 /nfs/dbraw/zinc/15/06/93/990150693.db2.gz OBXOTKBDPVLQHK-UHFFFAOYSA-N -1 1 347.440 3.526 20 0 EHADMM CC(C)(NCCc1cccc(Cl)c1Cl)c1cc(C(=O)[O-])on1 ZINC001590870459 990773307 /nfs/dbraw/zinc/77/33/07/990773307.db2.gz NQGTUYCELSUSRE-UHFFFAOYSA-N -1 1 343.210 3.747 20 0 EHADMM COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1ccc(C(=O)[O-])cn1 ZINC001599704557 991272758 /nfs/dbraw/zinc/27/27/58/991272758.db2.gz RFBVZNRYESSMFI-RDTXWAMCSA-N -1 1 340.423 3.762 20 0 EHADMM CC(C)N(Cc1cccc(Br)c1)C(=O)c1cncc([O-])c1 ZINC000339816530 1015700774 /nfs/dbraw/zinc/70/07/74/1015700774.db2.gz ZYKIZUFPHAFOTI-UHFFFAOYSA-N -1 1 349.228 3.601 20 0 EHADMM CN(Cc1cccc(C(=O)[O-])c1Cl)[C@@H](CCO)c1ccccc1 ZINC001598526706 992728483 /nfs/dbraw/zinc/72/84/83/992728483.db2.gz BIGWPCRULWDCAB-INIZCTEOSA-N -1 1 333.815 3.594 20 0 EHADMM COc1ccc(OC)c(CN[C@@H](C)c2ccc(C(=O)[O-])cc2C)c1 ZINC001599601805 993826726 /nfs/dbraw/zinc/82/67/26/993826726.db2.gz CBGUHSRLHQFPSU-ZDUSSCGKSA-N -1 1 329.396 3.561 20 0 EHADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000110325073 1120333353 /nfs/dbraw/zinc/33/33/53/1120333353.db2.gz MVRJLVMXGGQNFK-MFKMUULPSA-N -1 1 326.234 3.853 20 0 EHADMM COc1ccc2c(c1)C[C@@H](C)N(Cc1cc(C(=O)[O-])c(C)o1)[C@H]2C ZINC001599625351 994139940 /nfs/dbraw/zinc/13/99/40/994139940.db2.gz BYOUCGVKBNKITD-NEPJUHHUSA-N -1 1 329.396 3.803 20 0 EHADMM C[C@H](N[C@H](c1ccccc1)C1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001593210766 994254787 /nfs/dbraw/zinc/25/47/87/994254787.db2.gz RTQPPVGOEPBGCH-BLLLJJGKSA-N -1 1 346.452 3.660 20 0 EHADMM C[C@H](NCc1[nH]cc(C(=O)[O-])c1C1CC1)c1cc(F)ccc1N(C)C ZINC001593286888 994649899 /nfs/dbraw/zinc/64/98/99/994649899.db2.gz ZARKYGYJPMQZLQ-NSHDSACASA-N -1 1 345.418 3.646 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])n1C)c1cccc(Cl)c1Cl ZINC001593296478 994697143 /nfs/dbraw/zinc/69/71/43/994697143.db2.gz MREAMQMZSBNEEO-VIFPVBQESA-N -1 1 327.211 3.881 20 0 EHADMM C[C@](NCc1cccc(F)n1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593304266 994742946 /nfs/dbraw/zinc/74/29/46/994742946.db2.gz KCVFCEYRWKOUSK-OAHLLOKOSA-N -1 1 343.185 3.617 20 0 EHADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC001593317870 994825110 /nfs/dbraw/zinc/82/51/10/994825110.db2.gz VZFGEVIBYNZNRE-SNVBAGLBSA-N -1 1 343.301 3.770 20 0 EHADMM C[C@H](Oc1ccccc1CNCc1cc2ccccc2o1)C(=O)[O-] ZINC001593648640 995998369 /nfs/dbraw/zinc/99/83/69/995998369.db2.gz LWBBLTHAYBZNJB-ZDUSSCGKSA-N -1 1 325.364 3.575 20 0 EHADMM C[C@H](Oc1ccccc1CN[C@@H]1CCCc2ccc(F)cc21)C(=O)[O-] 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/nfs/dbraw/zinc/53/30/52/1016533052.db2.gz NRLOHHDYJHBHCT-UHFFFAOYSA-N -1 1 334.372 3.722 20 0 EHADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(F)c([O-])c(F)c1 ZINC000180193338 1016892213 /nfs/dbraw/zinc/89/22/13/1016892213.db2.gz RJKCYFZKEIJSFL-UHFFFAOYSA-N -1 1 339.248 3.737 20 0 EHADMM CN(Cc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180331793 1016895947 /nfs/dbraw/zinc/89/59/47/1016895947.db2.gz FMXDQFLJNBUOPX-UHFFFAOYSA-N -1 1 327.277 3.822 20 0 EHADMM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc([O-])cc3F)c2)n1 ZINC000181130333 1016910626 /nfs/dbraw/zinc/91/06/26/1016910626.db2.gz JCRXMBPHRWBTGN-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](Cc2ccccc2)C1 ZINC000181172698 1016911050 /nfs/dbraw/zinc/91/10/50/1016911050.db2.gz XINSUCLHFFJOAO-GOSISDBHSA-N -1 1 347.414 3.629 20 0 EHADMM O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(F)cc1[O-] ZINC000340329842 1016952531 /nfs/dbraw/zinc/95/25/31/1016952531.db2.gz SAWGMKAAHLZWEJ-UHFFFAOYSA-N -1 1 327.355 3.622 20 0 EHADMM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340329876 1016953014 /nfs/dbraw/zinc/95/30/14/1016953014.db2.gz VUOHKDHMZZRJEX-UHFFFAOYSA-N -1 1 345.761 3.931 20 0 EHADMM CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340332133 1016962605 /nfs/dbraw/zinc/96/26/05/1016962605.db2.gz JKRZFTFOVLNOEQ-UHFFFAOYSA-N -1 1 344.386 3.656 20 0 EHADMM O=C([O-])c1coc(CN2CCC(Cc3c(F)cccc3F)CC2)c1 ZINC000659797328 1017035060 /nfs/dbraw/zinc/03/50/60/1017035060.db2.gz JNDSUXNMCOHSSI-UHFFFAOYSA-N -1 1 335.350 3.711 20 0 EHADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1coc(COC)n1 ZINC000547844001 1017058589 /nfs/dbraw/zinc/05/85/89/1017058589.db2.gz MBFDPHILTGITBQ-UHFFFAOYSA-N -1 1 326.805 3.839 20 0 EHADMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000080782761 1032182190 /nfs/dbraw/zinc/18/21/90/1032182190.db2.gz FYWAKXLGDVGFMT-UHFFFAOYSA-N -1 1 325.455 3.582 20 0 EHADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000485096083 1032312574 /nfs/dbraw/zinc/31/25/74/1032312574.db2.gz NKOYXSUICNMCPA-UHFFFAOYSA-N -1 1 346.235 3.941 20 0 EHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000263045015 1032417585 /nfs/dbraw/zinc/41/75/85/1032417585.db2.gz JRRKTDUHCCEYDE-ONGXEEELSA-N -1 1 335.753 3.901 20 0 EHADMM CC(C)c1cc(NCCc2n[n-]c(=S)n2C2CC2)nc(C(C)C)n1 ZINC000090091978 1032571287 /nfs/dbraw/zinc/57/12/87/1032571287.db2.gz CZEYOUZANVJZHK-UHFFFAOYSA-N -1 1 346.504 3.967 20 0 EHADMM CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000377208178 1017447638 /nfs/dbraw/zinc/44/76/38/1017447638.db2.gz QONPFVRVPGYBQJ-CQSZACIVSA-N -1 1 333.819 3.629 20 0 EHADMM CCc1oc2ccccc2c1CN=c1[n-]ncn1Cc1ccccc1 ZINC000547960877 1017671731 /nfs/dbraw/zinc/67/17/31/1017671731.db2.gz QLEHKVHZBTXXKU-UHFFFAOYSA-N -1 1 332.407 3.669 20 0 EHADMM Cc1nc(SCc2noc(-c3ccc(Cl)cc3)n2)[n-]c(=O)c1C ZINC000537416260 1032716415 /nfs/dbraw/zinc/71/64/15/1032716415.db2.gz HIGNOQHFKPCCRF-UHFFFAOYSA-N -1 1 348.815 3.795 20 0 EHADMM CC[C@@H](C)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000362721511 1017859135 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CC(C)(C)c1nnsc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436875183 1021319504 /nfs/dbraw/zinc/31/95/04/1021319504.db2.gz XEOOYAWYKKJYCM-UHFFFAOYSA-N -1 1 336.804 3.912 20 0 EHADMM [O-]c1ccc(-c2noc(CCCc3ccc(O)c(F)c3)n2)c(F)c1 ZINC000436881616 1021332310 /nfs/dbraw/zinc/33/23/10/1021332310.db2.gz XODPTWRKWXFFFG-UHFFFAOYSA-N -1 1 332.306 3.601 20 0 EHADMM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000507528082 1021334642 /nfs/dbraw/zinc/33/46/42/1021334642.db2.gz HYGXWVBLXQBCEE-SNVBAGLBSA-N -1 1 340.349 3.764 20 0 EHADMM COc1ccc(-c2nc(C3(c4cc(F)ccc4C)CC3)no2)c([O-])c1 ZINC000436889383 1021342706 /nfs/dbraw/zinc/34/27/06/1021342706.db2.gz YCIVTDJUMHHGCI-UHFFFAOYSA-N -1 1 340.354 3.978 20 0 EHADMM COc1ccc(-c2nc(-c3cccc(OC(C)C)c3)no2)c([O-])c1 ZINC000436915052 1021372195 /nfs/dbraw/zinc/37/21/95/1021372195.db2.gz OEJQYWSGVSIBEB-UHFFFAOYSA-N -1 1 326.352 3.905 20 0 EHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1OC(F)F ZINC000436929776 1021392633 /nfs/dbraw/zinc/39/26/33/1021392633.db2.gz 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CCc1cc(=O)[n-]c(SCc2coc(-c3cccc(Cl)c3)n2)n1 ZINC000188106190 1021821496 /nfs/dbraw/zinc/82/14/96/1021821496.db2.gz FXDCVDAUNHMBRB-UHFFFAOYSA-N -1 1 347.827 3.933 20 0 EHADMM O=S(=O)([N-]c1cccc2ccc(O)cc21)c1ccc2c(c1)CCC2 ZINC000439988383 1021880577 /nfs/dbraw/zinc/88/05/77/1021880577.db2.gz NAVYSIBNYTUQDQ-UHFFFAOYSA-N -1 1 339.416 3.835 20 0 EHADMM COc1cccc([C@@H](C)CC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000440066326 1021930693 /nfs/dbraw/zinc/93/06/93/1021930693.db2.gz WTARMZXEFMVRRM-LBPRGKRZSA-N -1 1 341.436 3.701 20 0 EHADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000440122297 1021961522 /nfs/dbraw/zinc/96/15/22/1021961522.db2.gz VPIKVCPIMICNNW-KBPBESRZSA-N -1 1 339.420 3.894 20 0 EHADMM O=S(=O)([N-]C1(c2cccc(Cl)c2)CC1)c1cccc(F)c1F ZINC000607164949 1033020159 /nfs/dbraw/zinc/02/01/59/1033020159.db2.gz WMVHQBZPHQWCHU-UHFFFAOYSA-N -1 1 343.782 3.586 20 0 EHADMM CC(C)c1cccnc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506813005 1022075856 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O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1cc(F)ccc1F ZINC000519566384 1022710611 /nfs/dbraw/zinc/71/06/11/1022710611.db2.gz LNKYABPBPQNEBH-JTQLQIEISA-N -1 1 349.811 3.646 20 0 EHADMM CC[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)N(C)C ZINC000331356533 1022801525 /nfs/dbraw/zinc/80/15/25/1022801525.db2.gz SBCGFDUSJVUYLH-MRVPVSSYSA-N -1 1 325.623 3.631 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1ccc(Cl)cc1 ZINC000126822439 1022854514 /nfs/dbraw/zinc/85/45/14/1022854514.db2.gz TZZNEUFIUQTRPA-UHFFFAOYSA-N -1 1 325.821 3.522 20 0 EHADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCCCC[C@H]1c1ccccc1 ZINC000426681102 1022965890 /nfs/dbraw/zinc/96/58/90/1022965890.db2.gz UXVRIRRMOCPPPV-KRWDZBQOSA-N -1 1 341.480 3.897 20 0 EHADMM COc1ccc2oc(CN[C@@H](CC(=O)[O-])c3ccsc3)cc2c1 ZINC000426691247 1022978582 /nfs/dbraw/zinc/97/85/82/1022978582.db2.gz GSIMJRQVZNUHHI-HNNXBMFYSA-N -1 1 331.393 3.809 20 0 EHADMM CCCSC[C@@H](NCc1cnc(-c2cccs2)s1)C(=O)[O-] ZINC000426764780 1023015735 /nfs/dbraw/zinc/01/57/35/1023015735.db2.gz 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EHADMM Oc1ccc(F)c(C[NH2+]CCOc2cccc3ccccc32)c1F ZINC000510017297 1024370823 /nfs/dbraw/zinc/37/08/23/1024370823.db2.gz AXOIDDDTUGHKDL-UHFFFAOYSA-N -1 1 329.346 3.992 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000120014860 1033214970 /nfs/dbraw/zinc/21/49/70/1033214970.db2.gz KHYLPEWIKBTIQJ-UHFFFAOYSA-N -1 1 330.434 3.758 20 0 EHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1cccc(C(F)(F)F)c1 ZINC000033924336 1024541557 /nfs/dbraw/zinc/54/15/57/1024541557.db2.gz KORWHRJWLUSANI-UHFFFAOYSA-N -1 1 340.326 3.988 20 0 EHADMM Cc1cnc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c([O-])c1 ZINC000330325067 1024781335 /nfs/dbraw/zinc/78/13/35/1024781335.db2.gz UJXCHKXAUFJSLO-AWEZNQCLSA-N -1 1 337.379 3.604 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cc1F ZINC000474434814 1024967149 /nfs/dbraw/zinc/96/71/49/1024967149.db2.gz UBSZWNJMJTVUMM-UHFFFAOYSA-N -1 1 337.420 3.706 20 0 EHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000515439848 1025235869 /nfs/dbraw/zinc/23/58/69/1025235869.db2.gz 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CCCNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000436592381 1025907916 /nfs/dbraw/zinc/90/79/16/1025907916.db2.gz UTMPBZROGJHWPB-UHFFFAOYSA-N -1 1 348.402 3.938 20 0 EHADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000436581824 1025922050 /nfs/dbraw/zinc/92/20/50/1025922050.db2.gz CFVYWZGGABPVLC-LBPRGKRZSA-N -1 1 333.771 3.516 20 0 EHADMM COc1cc(OC)c(NC(=O)c2ccc(C(C)C)cc2[O-])cc1F ZINC000436585800 1025924437 /nfs/dbraw/zinc/92/44/37/1025924437.db2.gz QVVJVMAAMPDUCW-UHFFFAOYSA-N -1 1 333.359 3.924 20 0 EHADMM Cc1cccc([C@@H](NC(=O)c2cc(F)ccc2[O-])c2ccccn2)c1 ZINC000436618141 1025929314 /nfs/dbraw/zinc/92/93/14/1025929314.db2.gz MSDFGXXDUFAFFR-LJQANCHMSA-N -1 1 336.366 3.754 20 0 EHADMM Cc1ccccc1-c1csc(NC(=O)c2ccc(O)cc2[O-])n1 ZINC000436635910 1025965401 /nfs/dbraw/zinc/96/54/01/1025965401.db2.gz PGVMHCHFTXSCES-UHFFFAOYSA-N -1 1 326.377 3.782 20 0 EHADMM C[C@@H]1CCN(c2cc(C(=O)Nc3ccc([O-])c(Cl)c3)ccn2)C1 ZINC000436622658 1025973129 /nfs/dbraw/zinc/97/31/29/1025973129.db2.gz 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O=C(Nc1ccc2nccnc2c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872413 1026266136 /nfs/dbraw/zinc/26/61/36/1026266136.db2.gz FBZDOGMHPIDNMA-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c[nH]nc1-c1ccsc1 ZINC000444329060 1026331397 /nfs/dbraw/zinc/33/13/97/1026331397.db2.gz JSHQSXMHFHRKOA-UHFFFAOYSA-N -1 1 337.763 3.889 20 0 EHADMM CC[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1c(C)noc1C ZINC000897232868 1026530197 /nfs/dbraw/zinc/53/01/97/1026530197.db2.gz XMWIZVXHYQMRNA-INIZCTEOSA-N -1 1 340.379 3.737 20 0 EHADMM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1F ZINC000301367372 1026779138 /nfs/dbraw/zinc/77/91/38/1026779138.db2.gz QSSGKOKKDUEYEK-UHFFFAOYSA-N -1 1 338.386 3.921 20 0 EHADMM Cc1nc(-c2ccc(N(C)[C@@H]3CCC[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301389885 1026789562 /nfs/dbraw/zinc/78/95/62/1026789562.db2.gz ZQZXAFGKYCJEAL-MLGOLLRUSA-N -1 1 326.444 3.876 20 0 EHADMM Cc1nc(-c2ccc(N3CCC(C(C)C)CC3)nc2)[n-]c(=O)c1C ZINC000301479459 1026823178 /nfs/dbraw/zinc/82/31/78/1026823178.db2.gz YBGTUEKMGHBGPJ-UHFFFAOYSA-N -1 1 326.444 3.733 20 0 EHADMM Cc1nc(-c2ccc(N3CC[C@H](C)C[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301756878 1026927345 /nfs/dbraw/zinc/92/73/45/1026927345.db2.gz AGJMMVZTVANHTN-QWHCGFSZSA-N -1 1 326.444 3.733 20 0 EHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000014255592 1027409616 /nfs/dbraw/zinc/40/96/16/1027409616.db2.gz BOHUJUJVIMTPCS-UHFFFAOYSA-N -1 1 325.380 3.890 20 0 EHADMM CC(C)(C)OC(=O)[C@@H]1[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1(C)C ZINC000420495093 1027566322 /nfs/dbraw/zinc/56/63/22/1027566322.db2.gz UBORZMUIIGYQMH-OLZOCXBDSA-N -1 1 348.374 3.663 20 0 EHADMM CCOc1cc(-c2noc(-c3ccnn3C(C)C)n2)cc(Cl)c1[O-] ZINC000277889322 1027641520 /nfs/dbraw/zinc/64/15/20/1027641520.db2.gz JICWNXNGUCQIBM-UHFFFAOYSA-N -1 1 348.790 3.939 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H](C)C3CCCCC3)nc2)[n-]c(=O)c1C ZINC000078334722 1027678735 /nfs/dbraw/zinc/67/87/35/1027678735.db2.gz WREHWLLHGZYHMH-AWEZNQCLSA-N -1 1 326.444 3.829 20 0 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Cn1c2ccccc2nc1[C@H](NCc1ncccc1[O-])c1ccccc1 ZINC000685425924 1033315493 /nfs/dbraw/zinc/31/54/93/1033315493.db2.gz WBQXGVIKECXLOC-HXUWFJFHSA-N -1 1 344.418 3.553 20 0 EHADMM Cn1c2ccccc2nc1[C@@H](NCc1ncccc1[O-])c1ccccc1 ZINC000685425923 1033315844 /nfs/dbraw/zinc/31/58/44/1033315844.db2.gz WBQXGVIKECXLOC-FQEVSTJZSA-N -1 1 344.418 3.553 20 0 EHADMM CC[C@@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)CCS1 ZINC000173511035 1033387365 /nfs/dbraw/zinc/38/73/65/1033387365.db2.gz FYCLHQPVISNTHY-CQSZACIVSA-N -1 1 340.562 3.848 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]2CCCC[C@@H]21 ZINC000044490794 1033497475 /nfs/dbraw/zinc/49/74/75/1033497475.db2.gz JYTJRYWSPSMDCG-FZMZJTMJSA-N -1 1 338.245 3.950 20 0 EHADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000007053352 1033516684 /nfs/dbraw/zinc/51/66/84/1033516684.db2.gz GOXCOBTYWPUHKR-UHFFFAOYSA-N -1 1 347.436 3.589 20 0 EHADMM COc1ccc(N(C)C(=O)c2cc3ccccc3cc2[O-])c(OC)c1 ZINC000157958653 1033531172 /nfs/dbraw/zinc/53/11/72/1033531172.db2.gz 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CCCOc1ccc(C(=O)Nc2c([O-])cccc2F)cc1OCC ZINC000605440154 1034735930 /nfs/dbraw/zinc/73/59/30/1034735930.db2.gz LMROBEYDLWXTIU-UHFFFAOYSA-N -1 1 333.359 3.971 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1 ZINC000605494098 1034769469 /nfs/dbraw/zinc/76/94/69/1034769469.db2.gz LWNUJXTXFBIGGY-NSHDSACASA-N -1 1 337.828 3.773 20 0 EHADMM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000456852452 1034809782 /nfs/dbraw/zinc/80/97/82/1034809782.db2.gz PYZBMJLNFXHVGT-INIZCTEOSA-N -1 1 345.443 3.564 20 0 EHADMM CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC000530007618 1034852586 /nfs/dbraw/zinc/85/25/86/1034852586.db2.gz YNXKUWZVPCVCLV-UHFFFAOYSA-N -1 1 344.386 3.656 20 0 EHADMM COc1cc(C(=O)Nc2cccc(F)c2[O-])ccc1OCC(C)C ZINC000530006008 1034872185 /nfs/dbraw/zinc/87/21/85/1034872185.db2.gz LORBDEIMSFCINO-UHFFFAOYSA-N -1 1 333.359 3.827 20 0 EHADMM CCO[C@@H]1CCCC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000450934655 1034957013 /nfs/dbraw/zinc/95/70/13/1034957013.db2.gz 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IEWBWPZTUKPPES-UHFFFAOYSA-N -1 1 338.860 3.769 20 0 EHADMM CCOC(=O)COc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000512259123 1044436045 /nfs/dbraw/zinc/43/60/45/1044436045.db2.gz HQUDGNFYHQMGKX-UHFFFAOYSA-N -1 1 335.787 3.600 20 0 EHADMM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccccc1 ZINC000112193242 1044585779 /nfs/dbraw/zinc/58/57/79/1044585779.db2.gz BSJIPPDCBONBRW-UHFFFAOYSA-N -1 1 326.377 3.675 20 0 EHADMM COc1cc(C(=O)NC2CC(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000153752034 1125656719 /nfs/dbraw/zinc/65/67/19/1125656719.db2.gz QFDYSQQDTWCLMG-UHFFFAOYSA-N -1 1 331.799 3.730 20 0 EHADMM CC(C)(C)C(C)(C)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000381763327 1127492324 /nfs/dbraw/zinc/49/23/24/1127492324.db2.gz UXFGYCYNKAACOH-UHFFFAOYSA-N -1 1 328.250 3.957 20 0 EHADMM O=C([O-])C[C@H](NCc1cscc1Br)c1ccsc1 ZINC000417533436 1127499662 /nfs/dbraw/zinc/49/96/62/1127499662.db2.gz MPOJHIMZNVYZSI-NSHDSACASA-N -1 1 346.271 3.878 20 0 EHADMM Cc1ccc2oc(C(=O)NCCc3n[n-]c(=S)n3C(C)C)cc2c1 ZINC000067075014 1128233765 /nfs/dbraw/zinc/23/37/65/1128233765.db2.gz FNOCVNUHTSQSIZ-UHFFFAOYSA-N -1 1 344.440 3.549 20 0 EHADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000068453308 1128267636 /nfs/dbraw/zinc/26/76/36/1128267636.db2.gz SBSDWXDZEXUWOC-UHFFFAOYSA-N -1 1 344.484 3.597 20 0 EHADMM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(Cl)o3)s2)cc1 ZINC000108249466 1128610881 /nfs/dbraw/zinc/61/08/81/1128610881.db2.gz QLVJOIUJWPEITD-UHFFFAOYSA-N -1 1 333.800 3.936 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cccc4nccc(Cl)c43)no2)n[n-]1 ZINC001212431279 1128617705 /nfs/dbraw/zinc/61/77/05/1128617705.db2.gz JRRLTMUCGSAKHS-UHFFFAOYSA-N -1 1 339.742 3.531 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cccc4nccc(Cl)c43)no2)[n-]n1 ZINC001212431279 1128617707 /nfs/dbraw/zinc/61/77/07/1128617707.db2.gz JRRLTMUCGSAKHS-UHFFFAOYSA-N -1 1 339.742 3.531 20 0 EHADMM C[C@@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000388907605 1128796062 /nfs/dbraw/zinc/79/60/62/1128796062.db2.gz TWLVYMMMOSWBMK-BXKDBHETSA-N -1 1 333.762 3.627 20 0 EHADMM O=C([O-])c1ccc2c(c1)CN(CCCc1c(F)cccc1F)CC2 ZINC000656191419 1128802964 /nfs/dbraw/zinc/80/29/64/1128802964.db2.gz UOBMJUFSLPOFLX-UHFFFAOYSA-N -1 1 331.362 3.654 20 0 EHADMM Cc1ccc(CC[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)cc1C ZINC001212442662 1128810184 /nfs/dbraw/zinc/81/01/84/1128810184.db2.gz NPDAKCYLJFOFAF-UHFFFAOYSA-N -1 1 347.411 3.710 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@H]1C[C@H]1Cc1ccccc1 ZINC001648799997 1120040321 /nfs/dbraw/zinc/04/03/21/1120040321.db2.gz ZIHNFURAPMVFFZ-HZPDHXFCSA-N -1 1 329.827 3.583 20 0 EHADMM O=C([N-]c1cc(-c2cccs2)on1)c1coc(-c2cccnc2)n1 ZINC001648900064 1120063486 /nfs/dbraw/zinc/06/34/86/1120063486.db2.gz HROJEFGFVRWVII-UHFFFAOYSA-N -1 1 338.348 3.705 20 0 EHADMM CC1CC(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC001670567821 1120086967 /nfs/dbraw/zinc/08/69/67/1120086967.db2.gz OXAUSNSRGQIASK-UHFFFAOYSA-N -1 1 329.874 3.879 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)s1 ZINC000128942185 1120136647 /nfs/dbraw/zinc/13/66/47/1120136647.db2.gz 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EHADMM CC(C)c1nnc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000670414894 1122697889 /nfs/dbraw/zinc/69/78/89/1122697889.db2.gz JKFMYTSDJXMWRQ-UHFFFAOYSA-N -1 1 331.319 3.638 20 0 EHADMM COc1ccc(C(F)(F)F)cc1-c1noc(-c2ncccc2[O-])n1 ZINC001212481063 1129085890 /nfs/dbraw/zinc/08/58/90/1129085890.db2.gz YIHRIYKSJQXMKT-UHFFFAOYSA-N -1 1 337.257 3.532 20 0 EHADMM Cc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)sc1C ZINC000919237396 1123007747 /nfs/dbraw/zinc/00/77/47/1123007747.db2.gz OLWQQAPYDUBMRY-UHFFFAOYSA-N -1 1 330.361 3.534 20 0 EHADMM O=C(NCc1cccc(C(F)(F)F)c1)c1c([O-])cccc1Cl ZINC000920430129 1123372896 /nfs/dbraw/zinc/37/28/96/1123372896.db2.gz LSBHJKCCNGRWDY-UHFFFAOYSA-N -1 1 329.705 3.994 20 0 EHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1nc(C(C)(C)C)no1 ZINC000075381151 1123393504 /nfs/dbraw/zinc/39/35/04/1123393504.db2.gz DPOMVMFLZDTGNQ-LLVKDONJSA-N -1 1 339.395 3.717 20 0 EHADMM CC(C)(C)OCc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000672980511 1129133792 /nfs/dbraw/zinc/13/37/92/1129133792.db2.gz PSXQNOOLLOUNDW-UHFFFAOYSA-N -1 1 327.380 3.529 20 0 EHADMM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ccc(Cl)cn1 ZINC000068300416 1123913576 /nfs/dbraw/zinc/91/35/76/1123913576.db2.gz JQUNPJLQCQLQNT-BQYQJAHWSA-N -1 1 329.208 3.801 20 0 EHADMM C[C@H]1CSc2ccccc2N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000616827401 1124042464 /nfs/dbraw/zinc/04/24/64/1124042464.db2.gz DRVGAUQZDDACTO-LLVKDONJSA-N -1 1 345.493 3.528 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000618185158 1125019691 /nfs/dbraw/zinc/01/96/91/1125019691.db2.gz MTMPBRGEROEYPO-OAHLLOKOSA-N -1 1 345.487 3.831 20 0 EHADMM Cc1ccccc1C1(C(=O)Nc2cc(F)cc(F)c2[O-])CCOCC1 ZINC000826559509 1131327182 /nfs/dbraw/zinc/32/71/82/1131327182.db2.gz KOMHTKPHGJGLKK-UHFFFAOYSA-N -1 1 347.361 3.666 20 0 EHADMM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc([O-])cc1F ZINC000182030357 1125128648 /nfs/dbraw/zinc/12/86/48/1125128648.db2.gz PWMAHGFAAWYKLG-GOSISDBHSA-N -1 1 349.377 3.502 20 0 EHADMM O=S(=O)(/C=C/c1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000182496380 1125316996 /nfs/dbraw/zinc/31/69/96/1125316996.db2.gz KVTUDYWAWJFFCU-BQYQJAHWSA-N -1 1 327.764 3.597 20 0 EHADMM O=C(c1coc2ccccc12)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000079098813 1129235090 /nfs/dbraw/zinc/23/50/90/1129235090.db2.gz NCRIVJUMOWLEDB-UHFFFAOYSA-N -1 1 349.386 3.874 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)c(C)o1 ZINC000543166613 1129308425 /nfs/dbraw/zinc/30/84/25/1129308425.db2.gz IBMVXQNZSTUSLN-CYBMUJFWSA-N -1 1 339.379 3.686 20 0 EHADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000735704398 1131373450 /nfs/dbraw/zinc/37/34/50/1131373450.db2.gz ZVZUXSRSVCWTTP-IAQYHMDHSA-N -1 1 325.836 3.617 20 0 EHADMM Oc1cccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1Cl ZINC000509039489 1129685111 /nfs/dbraw/zinc/68/51/11/1129685111.db2.gz RFJCBHZLDANYFB-KRWDZBQOSA-N -1 1 331.843 3.879 20 0 EHADMM COc1cccc2c1OCC[C@H]2NC(=O)c1cc2ccccc2cc1[O-] ZINC000625037346 1129712719 /nfs/dbraw/zinc/71/27/19/1129712719.db2.gz OFDSVJHDIZDZMZ-QGZVFWFLSA-N -1 1 349.386 3.808 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1O ZINC000509089402 1129737186 /nfs/dbraw/zinc/73/71/86/1129737186.db2.gz LAOAOMJQSRASMT-UHFFFAOYSA-N -1 1 345.342 3.829 20 0 EHADMM O=C(Nc1ccc(OC(F)F)c(F)c1)c1c(F)ccc([O-])c1F ZINC000347787928 1129781991 /nfs/dbraw/zinc/78/19/91/1129781991.db2.gz HWRNNBNHKOPMKS-UHFFFAOYSA-N -1 1 333.212 3.663 20 0 EHADMM O=S(=O)([N-]c1cc(-c2cccc(Cl)c2)n[nH]1)c1cccs1 ZINC000674755453 1130188792 /nfs/dbraw/zinc/18/87/92/1130188792.db2.gz RAQMNVKCTFLMIO-UHFFFAOYSA-N -1 1 339.829 3.592 20 0 EHADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1 ZINC000015243674 1130202015 /nfs/dbraw/zinc/20/20/15/1130202015.db2.gz MEAGVLJLWPXRLL-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc(F)c(Cl)c1 ZINC000674869138 1130212376 /nfs/dbraw/zinc/21/23/76/1130212376.db2.gz HKJVYXVNRKOQHV-UHFFFAOYSA-N -1 1 336.775 3.828 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1nc(Cl)ccc1Cl ZINC000187030599 1130356652 /nfs/dbraw/zinc/35/66/52/1130356652.db2.gz MWUJENAPPFFHOO-UHFFFAOYSA-N -1 1 349.264 3.911 20 0 EHADMM COc1ccc(C(=O)[N-]C(=O)CSCc2cc(C)ccc2C)cc1 ZINC000730151088 1130680134 /nfs/dbraw/zinc/68/01/34/1130680134.db2.gz QLMMEXOYXIRCAU-UHFFFAOYSA-N -1 1 343.448 3.502 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c([O-])c1 ZINC000730840772 1130742215 /nfs/dbraw/zinc/74/22/15/1130742215.db2.gz RVOKHIIIDIGBBT-UHFFFAOYSA-N -1 1 346.814 3.907 20 0 EHADMM CCCCCC[C@H](C)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000733982699 1131178934 /nfs/dbraw/zinc/17/89/34/1131178934.db2.gz HWNDIJLIDUOTAT-ZDUSSCGKSA-N -1 1 346.475 3.665 20 0 EHADMM O=C(NC[C@H](O)c1ccccc1Cl)c1ccc2ccccc2c1[O-] ZINC000740929444 1131556992 /nfs/dbraw/zinc/55/69/92/1131556992.db2.gz GUAYVZPQNFTHCE-KRWDZBQOSA-N -1 1 341.794 3.662 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[nH]1 ZINC000743047125 1131843386 /nfs/dbraw/zinc/84/33/86/1131843386.db2.gz QQZQHOMQZKVNOA-CMDGGOBGSA-N -1 1 339.848 3.773 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2ccc(OC(F)(F)F)cc2F)no1 ZINC001212721238 1132055268 /nfs/dbraw/zinc/05/52/68/1132055268.db2.gz FMJBNNBLHOBXAO-UHFFFAOYSA-N -1 1 341.220 3.542 20 0 EHADMM O=C(c1ccccc1)c1ccc(-c2noc(-c3ccncc3[O-])n2)cc1 ZINC001212721319 1132056386 /nfs/dbraw/zinc/05/63/86/1132056386.db2.gz KFSLMAYDSBBHPB-UHFFFAOYSA-N -1 1 343.342 3.735 20 0 EHADMM COC(=O)c1cc(Br)c([O-])c(Nc2ccc(F)cc2)c1 ZINC001173799477 1132151584 /nfs/dbraw/zinc/15/15/84/1132151584.db2.gz IRRWXOBIEGHWDK-UHFFFAOYSA-N -1 1 340.148 3.824 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1c(C)cccc1C ZINC001173875739 1132157933 /nfs/dbraw/zinc/15/79/33/1132157933.db2.gz AQLHHKLDMMDZDF-UHFFFAOYSA-N -1 1 329.425 3.665 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)Cc2cccc(F)c2)c1 ZINC000744872305 1132160276 /nfs/dbraw/zinc/16/02/76/1132160276.db2.gz IHIWHGAIQSJOLM-ZDUSSCGKSA-N -1 1 344.382 3.698 20 0 EHADMM NC(=O)c1ccc(Nc2cc(Br)cc(Cl)c2[O-])cc1 ZINC001174050887 1132207853 /nfs/dbraw/zinc/20/78/53/1132207853.db2.gz JBWOTESJSDCFHU-UHFFFAOYSA-N -1 1 341.592 3.651 20 0 EHADMM Cc1nn(C)c(C)c1Nc1c(Cl)ccc(Br)c1[O-] ZINC001174229315 1132292568 /nfs/dbraw/zinc/29/25/68/1132292568.db2.gz BTFDFSLXMQPPSS-UHFFFAOYSA-N -1 1 330.613 3.902 20 0 EHADMM CCOc1cc(F)c(Nc2cc3ccc([O-])cc3oc2=O)cc1F ZINC001175055236 1132551527 /nfs/dbraw/zinc/55/15/27/1132551527.db2.gz WLMGDFCIONAQNK-UHFFFAOYSA-N -1 1 333.290 3.919 20 0 EHADMM O=C(CCc1ccc(-c2ccccc2F)o1)[N-]OCC(F)(F)F ZINC000766763393 1132795577 /nfs/dbraw/zinc/79/55/77/1132795577.db2.gz RVTIYKSCRMGQNK-UHFFFAOYSA-N -1 1 331.265 3.628 20 0 EHADMM COC(=O)[N-]C(=S)N(/C=C/c1ccc(C)cc1)c1ccccc1N ZINC001176424590 1132936348 /nfs/dbraw/zinc/93/63/48/1132936348.db2.gz CNJLQGHPUVYHKC-VAWYXSNFSA-N -1 1 341.436 3.695 20 0 EHADMM CCCCCC[C@H](C)NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000767081666 1132943076 /nfs/dbraw/zinc/94/30/76/1132943076.db2.gz KOHBGCNBZIKRDA-LBPRGKRZSA-N -1 1 337.489 3.627 20 0 EHADMM Cc1cnn(Cc2cccnc2)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663645 1132978230 /nfs/dbraw/zinc/97/82/30/1132978230.db2.gz JPSQIZWATSJBNY-UHFFFAOYSA-N -1 1 334.301 3.501 20 0 EHADMM CCOC(=O)c1ccc(F)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176673695 1132980522 /nfs/dbraw/zinc/98/05/22/1132980522.db2.gz WMBONTNHZMRAOL-UHFFFAOYSA-N -1 1 329.249 3.869 20 0 EHADMM COC(=O)[N-]C(=S)N(c1cccc(C2CC2)c1)c1ccccc1N ZINC001176725951 1132987949 /nfs/dbraw/zinc/98/79/49/1132987949.db2.gz NOWCJGLRAKGKEV-UHFFFAOYSA-N -1 1 341.436 3.925 20 0 EHADMM C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176994286 1133019589 /nfs/dbraw/zinc/01/95/89/1133019589.db2.gz POAWJPSSKVDFCE-JTQLQIEISA-N -1 1 340.206 3.783 20 0 EHADMM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc([O-])c(F)c1 ZINC000768257228 1133118574 /nfs/dbraw/zinc/11/85/74/1133118574.db2.gz MUQASDQEGYULEP-HNNXBMFYSA-N -1 1 327.355 3.708 20 0 EHADMM C[C@H](COCC1CCCCC1)NC(=O)c1ncc2ccccc2c1[O-] ZINC001178401781 1133162041 /nfs/dbraw/zinc/16/20/41/1133162041.db2.gz YJHPCDPFXVKWOT-CQSZACIVSA-N -1 1 342.439 3.656 20 0 EHADMM CC(C)C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000773755158 1133178832 /nfs/dbraw/zinc/17/88/32/1133178832.db2.gz BUVSCULLPFXIJQ-OAHLLOKOSA-N -1 1 340.452 3.535 20 0 EHADMM Cc1cc(C)n2ccc(C(=O)Nc3cc(F)c([O-])cc3Cl)c2n1 ZINC001179660134 1133267582 /nfs/dbraw/zinc/26/75/82/1133267582.db2.gz LYTDFQHPNZGIEK-UHFFFAOYSA-N -1 1 333.750 3.702 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001179660360 1133267750 /nfs/dbraw/zinc/26/77/50/1133267750.db2.gz QZOKEFHLTVDUPD-VXGBXAGGSA-N -1 1 335.762 3.553 20 0 EHADMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC000769859081 1133351633 /nfs/dbraw/zinc/35/16/33/1133351633.db2.gz MLKSFQFLSFXMPR-OAHLLOKOSA-N -1 1 344.842 3.787 20 0 EHADMM O=C(C[C@H]1CCCN1C(=O)c1c([O-])cccc1Cl)c1cccs1 ZINC000769957142 1133365378 /nfs/dbraw/zinc/36/53/78/1133365378.db2.gz LAAPMAYDEDLXOD-LLVKDONJSA-N -1 1 349.839 3.985 20 0 EHADMM C[C@H](NCc1ccc([O-])c(F)c1F)c1nc(C2CCCCC2)no1 ZINC001181446112 1133488889 /nfs/dbraw/zinc/48/88/89/1133488889.db2.gz WOENYCMAMFGFRN-JTQLQIEISA-N -1 1 337.370 3.952 20 0 EHADMM O=C(Nc1cc(F)cc(Cl)c1O)c1ccc2[n-]c(=S)oc2c1 ZINC000771510571 1133567913 /nfs/dbraw/zinc/56/79/13/1133567913.db2.gz LBQQBILOONPHPP-UHFFFAOYSA-N -1 1 338.747 3.867 20 0 EHADMM CC[C@@H](C(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC000771575446 1133572813 /nfs/dbraw/zinc/57/28/13/1133572813.db2.gz KRJMWBMWRKWMSE-LLVKDONJSA-N -1 1 335.201 3.682 20 0 EHADMM O=C([N-]Cc1cc(Cl)nc(Cl)c1)C(F)(F)c1ccc(F)cc1 ZINC001182890423 1133744284 /nfs/dbraw/zinc/74/42/84/1133744284.db2.gz DBIQXMPVHFDCBG-UHFFFAOYSA-N -1 1 349.139 3.936 20 0 EHADMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183209808 1133782849 /nfs/dbraw/zinc/78/28/49/1133782849.db2.gz NOWOUERHBSAIGN-QMMMGPOBSA-N -1 1 327.167 3.500 20 0 EHADMM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC001185102359 1134030109 /nfs/dbraw/zinc/03/01/09/1134030109.db2.gz KKUGAOLSTWOQGY-SNVBAGLBSA-N -1 1 338.267 3.679 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(C)(C)O)ccc1Cl ZINC001185524500 1134103017 /nfs/dbraw/zinc/10/30/17/1134103017.db2.gz GOVWBFIJNDGVDR-UHFFFAOYSA-N -1 1 339.844 3.677 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(CO)c2)ccc1Cl ZINC001185530271 1134104556 /nfs/dbraw/zinc/10/45/56/1134104556.db2.gz WPGYVRLYGIDTND-UHFFFAOYSA-N -1 1 346.235 3.595 20 0 EHADMM O=C(Nc1ccc2c(c1)OCCO2)Nc1cc([O-])c(Cl)cc1F ZINC001185969118 1134156167 /nfs/dbraw/zinc/15/61/67/1134156167.db2.gz WTKNGVQDFXCRDK-UHFFFAOYSA-N -1 1 338.722 3.600 20 0 EHADMM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1 ZINC001185999195 1134163863 /nfs/dbraw/zinc/16/38/63/1134163863.db2.gz GSUHTUXHKAWXFD-UHFFFAOYSA-N -1 1 337.404 3.825 20 0 EHADMM CSc1cccc(C)c1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788754933 1134165273 /nfs/dbraw/zinc/16/52/73/1134165273.db2.gz XSJNLPMEORHHIP-UHFFFAOYSA-N -1 1 347.461 3.892 20 0 EHADMM O=C(c1cccc([S-])c1)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC001186149773 1134175587 /nfs/dbraw/zinc/17/55/87/1134175587.db2.gz USCWZKWMHJMVBV-UHFFFAOYSA-N -1 1 337.448 3.871 20 0 EHADMM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1ccc([O-])c(F)c1 ZINC001186208913 1134187732 /nfs/dbraw/zinc/18/77/32/1134187732.db2.gz LKDPSIPMJOKIME-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM CCOCCS(=O)(=O)[N-]c1ccc(Cl)cc1-c1ccccc1 ZINC001187292540 1134321300 /nfs/dbraw/zinc/32/13/00/1134321300.db2.gz YDBJVBHHFJKGFG-UHFFFAOYSA-N -1 1 339.844 3.785 20 0 EHADMM C[C@H](Oc1ccccc1Cl)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930545 1134344877 /nfs/dbraw/zinc/34/48/77/1134344877.db2.gz WEOFUHNZYDNNGB-QMMMGPOBSA-N -1 1 327.167 3.500 20 0 EHADMM CSc1ccc(O[C@H](C)C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000789930193 1134345737 /nfs/dbraw/zinc/34/57/37/1134345737.db2.gz GYODAMCDGVEIMF-SECBINFHSA-N -1 1 338.816 3.569 20 0 EHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cnc(-c2ccccc2)s1 ZINC000789931244 1134346256 /nfs/dbraw/zinc/34/62/56/1134346256.db2.gz CQBCNSJKUGVHRM-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM CCc1c(C(=O)Nc2nc(Cl)ccc2[O-])cnn1C1CCCC1 ZINC000790057356 1134366919 /nfs/dbraw/zinc/36/69/19/1134366919.db2.gz YIXBREMRKGOFND-UHFFFAOYSA-N -1 1 334.807 3.567 20 0 EHADMM CC(C)[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@H](O)c1ccccc1 ZINC000790402484 1134416761 /nfs/dbraw/zinc/41/67/61/1134416761.db2.gz PKTXHCADUDPTAY-IAGOWNOFSA-N -1 1 333.815 3.534 20 0 EHADMM O=C(Cc1c(F)cccc1F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746933021 1134444856 /nfs/dbraw/zinc/44/48/56/1134444856.db2.gz PZSHPLITACUWJX-UHFFFAOYSA-N -1 1 345.267 3.774 20 0 EHADMM CC(C)(C)C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)C(F)(F)F ZINC000790859212 1134477507 /nfs/dbraw/zinc/47/75/07/1134477507.db2.gz MEVUJURMRYQXNJ-SNVBAGLBSA-N -1 1 331.325 3.532 20 0 EHADMM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1cccc(Cl)n1 ZINC000775195887 1134503862 /nfs/dbraw/zinc/50/38/62/1134503862.db2.gz AINLTJJULMDGKD-BQYQJAHWSA-N -1 1 329.208 3.801 20 0 EHADMM O=S(=O)(CC1CC1)[N-]c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001188963605 1134525896 /nfs/dbraw/zinc/52/58/96/1134525896.db2.gz IPWNBCYEKBOCLT-UHFFFAOYSA-N -1 1 347.280 3.876 20 0 EHADMM O=C([N-]c1c(F)cccc1F)c1nc(Br)ccc1F ZINC000791449653 1134553882 /nfs/dbraw/zinc/55/38/82/1134553882.db2.gz DOMDLOAQEFMGKS-UHFFFAOYSA-N -1 1 331.091 3.514 20 0 EHADMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1csc2cnccc12 ZINC001189650770 1134612226 /nfs/dbraw/zinc/61/22/26/1134612226.db2.gz FGHOCQBWZVGOSI-UHFFFAOYSA-N -1 1 340.376 3.516 20 0 EHADMM COc1cc([O-])c(C(=O)Nc2cc(Cl)cc3[nH]ccc32)c(OC)c1 ZINC001190137032 1134659454 /nfs/dbraw/zinc/65/94/54/1134659454.db2.gz HXKHKYQSRHNQNB-UHFFFAOYSA-N -1 1 346.770 3.796 20 0 EHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc2o1 ZINC001190500050 1134707321 /nfs/dbraw/zinc/70/73/21/1134707321.db2.gz JMPPHUCTXRWOEW-UHFFFAOYSA-N -1 1 328.393 3.814 20 0 EHADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1)C1CC1 ZINC001190512834 1134709093 /nfs/dbraw/zinc/70/90/93/1134709093.db2.gz UHVIIPPCSPMCOG-UHFFFAOYSA-N -1 1 341.432 3.958 20 0 EHADMM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(C2CC2)cc1 ZINC001190497602 1134713616 /nfs/dbraw/zinc/71/36/16/1134713616.db2.gz QMHHUNLNDDJAFU-UHFFFAOYSA-N -1 1 339.420 3.551 20 0 EHADMM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001190829688 1134756346 /nfs/dbraw/zinc/75/63/46/1134756346.db2.gz NGRTZKXQUAZNSI-OLZOCXBDSA-N -1 1 331.428 3.768 20 0 EHADMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccncc3)cc2)cc1 ZINC001190886980 1134763563 /nfs/dbraw/zinc/76/35/63/1134763563.db2.gz IBIOFCMJXUPYEY-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM CC(C)(C)c1ccc(NC(=O)NCC(=O)c2ccc([O-])cc2)cc1 ZINC001191170309 1134806735 /nfs/dbraw/zinc/80/67/35/1134806735.db2.gz RDBBKJYGGLLWCE-UHFFFAOYSA-N -1 1 326.396 3.694 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1c[nH]cc1-c1ccccc1 ZINC001191788397 1134923674 /nfs/dbraw/zinc/92/36/74/1134923674.db2.gz NCMKTVYGEJTNDT-UHFFFAOYSA-N -1 1 344.374 3.825 20 0 EHADMM CCCCCCNC(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001191980686 1134955028 /nfs/dbraw/zinc/95/50/28/1134955028.db2.gz WIJOTKSYRATVPP-UHFFFAOYSA-N -1 1 345.237 3.865 20 0 EHADMM CC(C)(C)c1ccc(C(=O)Nc2cccc(C(N)=S)c2)c([O-])c1 ZINC001192322899 1134999348 /nfs/dbraw/zinc/99/93/48/1134999348.db2.gz ROEHOVRPLHUEGV-UHFFFAOYSA-N -1 1 328.437 3.576 20 0 EHADMM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1c(F)ccc([O-])c1F ZINC001192527106 1135031645 /nfs/dbraw/zinc/03/16/45/1135031645.db2.gz SKCYBDAFCMJDQG-UHFFFAOYSA-N -1 1 343.333 3.725 20 0 EHADMM O=C(Nc1ccc2ncnc(Cl)c2c1)c1c(F)ccc([O-])c1F ZINC001192540568 1135032600 /nfs/dbraw/zinc/03/26/00/1135032600.db2.gz XDNYSBIHTCFWDC-UHFFFAOYSA-N -1 1 335.697 3.519 20 0 EHADMM Cc1nc(-c2cccs2)c(CC(=O)[N-]OC/C=C\Cl)s1 ZINC000794298853 1135038054 /nfs/dbraw/zinc/03/80/54/1135038054.db2.gz XPBAJTBGVMXOGQ-HYXAFXHYSA-N -1 1 328.846 3.523 20 0 EHADMM N=C(NC(=O)c1cc([O-])cc(F)c1F)C12CC3CC(CC(C3)C1)C2 ZINC001192671151 1135043653 /nfs/dbraw/zinc/04/36/53/1135043653.db2.gz UPSYCOSBTURBQR-UHFFFAOYSA-N -1 1 334.366 3.594 20 0 EHADMM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cc([O-])cc(F)c1F ZINC001192670738 1135043656 /nfs/dbraw/zinc/04/36/56/1135043656.db2.gz MIFWVZOOFWUTMV-UHFFFAOYSA-N -1 1 336.725 3.735 20 0 EHADMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC001192805688 1135056923 /nfs/dbraw/zinc/05/69/23/1135056923.db2.gz MNJZWKQCWJBNSR-UHFFFAOYSA-N -1 1 343.807 3.851 20 0 EHADMM C[C@@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(F)cc1 ZINC001193151847 1135110518 /nfs/dbraw/zinc/11/05/18/1135110518.db2.gz MQKSXECYCXWAKG-GFCCVEGCSA-N -1 1 340.358 3.600 20 0 EHADMM O=S(=O)(Oc1c(Cl)ccc2ccccc21)c1c[n-]nc1Cl ZINC001193629468 1135162327 /nfs/dbraw/zinc/16/23/27/1135162327.db2.gz WZJXRAKQNALRLK-UHFFFAOYSA-N -1 1 343.191 3.637 20 0 EHADMM CCCCCOC(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001193768297 1135184733 /nfs/dbraw/zinc/18/47/33/1135184733.db2.gz IRNABPRJMUPNQF-UHFFFAOYSA-N -1 1 332.194 3.902 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c(F)n1 ZINC001193833904 1135191057 /nfs/dbraw/zinc/19/10/57/1135191057.db2.gz QYIJFTQWNKAUJZ-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cc1CO ZINC001193862793 1135197639 /nfs/dbraw/zinc/19/76/39/1135197639.db2.gz OTHVCSUAFZVFAX-UHFFFAOYSA-N -1 1 341.432 3.750 20 0 EHADMM O=S(=O)([N-]c1cnccc1F)c1ccc(-c2cccs2)cc1 ZINC001194146038 1135233898 /nfs/dbraw/zinc/23/38/98/1135233898.db2.gz PSKYSOKEPSQZKQ-UHFFFAOYSA-N -1 1 334.397 3.750 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194455437 1135269254 /nfs/dbraw/zinc/26/92/54/1135269254.db2.gz PVEKAXQDEGVBHU-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM O=S(=O)([N-]c1cccc(CO)c1)c1cccc2c(Cl)cccc21 ZINC001194431144 1135272335 /nfs/dbraw/zinc/27/23/35/1135272335.db2.gz FICQANUGPRZRIW-UHFFFAOYSA-N -1 1 347.823 3.786 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccnc(C(F)(F)F)c1 ZINC001194605925 1135292638 /nfs/dbraw/zinc/29/26/38/1135292638.db2.gz VEMIWBYPFGXMTD-UHFFFAOYSA-N -1 1 330.331 3.518 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)C)cc1 ZINC001194634748 1135294463 /nfs/dbraw/zinc/29/44/63/1135294463.db2.gz YXYNWUZWEZWCFB-UHFFFAOYSA-N -1 1 347.436 3.669 20 0 EHADMM CCc1cccc(O)c1[N-]S(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC001194866862 1135332432 /nfs/dbraw/zinc/33/24/32/1135332432.db2.gz QEQPASMUCWZTLL-UHFFFAOYSA-N -1 1 349.452 3.689 20 0 EHADMM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cc(Cl)c(Cl)s1 ZINC001195176022 1135388405 /nfs/dbraw/zinc/38/84/05/1135388405.db2.gz FIVVPHQASBMZMX-UHFFFAOYSA-N -1 1 328.180 3.889 20 0 EHADMM CCN(C(=O)c1cc([O-])cnc1Cl)[C@H](C)Cc1ccc(OC)cc1 ZINC001195297472 1135408620 /nfs/dbraw/zinc/40/86/20/1135408620.db2.gz BXDSWWIYIOSCDU-GFCCVEGCSA-N -1 1 348.830 3.543 20 0 EHADMM Cc1nc2c(F)cccc2cc1NC(=O)c1cc([O-])cnc1Cl ZINC001195298246 1135408931 /nfs/dbraw/zinc/40/89/31/1135408931.db2.gz SDEQWMMUXJXZON-UHFFFAOYSA-N -1 1 331.734 3.689 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cccc(Cl)c1C(F)(F)F ZINC001195492134 1135432982 /nfs/dbraw/zinc/43/29/82/1135432982.db2.gz CKGGEDWOMOODEP-UHFFFAOYSA-N -1 1 326.727 3.802 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC001195492176 1135433075 /nfs/dbraw/zinc/43/30/75/1135433075.db2.gz DYAHAXKTSNGELX-UHFFFAOYSA-N -1 1 326.393 3.590 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cc(-c2ccccc2)c[nH]1 ZINC001195644737 1135446738 /nfs/dbraw/zinc/44/67/38/1135446738.db2.gz ZVTNRAWLMOZEGB-UHFFFAOYSA-N -1 1 344.374 3.825 20 0 EHADMM O=S(=O)([N-]c1cccc2cccc(Cl)c21)c1ccc(O)cc1 ZINC001195811319 1135474024 /nfs/dbraw/zinc/47/40/24/1135474024.db2.gz YSXGWVIMSBPTGL-UHFFFAOYSA-N -1 1 333.796 4.000 20 0 EHADMM [O-]c1c(Br)cc(Nc2cnoc2)cc1Br ZINC001203240803 1135495553 /nfs/dbraw/zinc/49/55/53/1135495553.db2.gz ZXVMBTNFRDANCK-UHFFFAOYSA-N -1 1 333.967 3.649 20 0 EHADMM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cc(F)cc2Cl)c1 ZINC001196763144 1135603473 /nfs/dbraw/zinc/60/34/73/1135603473.db2.gz OSIDVETZAZLWKD-UHFFFAOYSA-N -1 1 347.770 3.736 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3ncsc32)c(C)c1 ZINC001196880886 1135621520 /nfs/dbraw/zinc/62/15/20/1135621520.db2.gz SOBFTFNYTMVPKJ-UHFFFAOYSA-N -1 1 348.449 3.723 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc[nH]c2C2CCC2)c1 ZINC000808697125 1135725197 /nfs/dbraw/zinc/72/51/97/1135725197.db2.gz 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C[C@@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1ncc(C(C)(C)C)o1 ZINC000747688573 1136065295 /nfs/dbraw/zinc/06/52/95/1136065295.db2.gz QQEASYWENNPOHQ-SNVBAGLBSA-N -1 1 329.356 3.873 20 0 EHADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000811836026 1136143176 /nfs/dbraw/zinc/14/31/76/1136143176.db2.gz AHYMNMNJXBYOSN-UHFFFAOYSA-N -1 1 332.759 3.782 20 0 EHADMM CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccn1 ZINC000776478735 1136283082 /nfs/dbraw/zinc/28/30/82/1136283082.db2.gz BEESGALEDGIJDF-OAHLLOKOSA-N -1 1 338.329 3.933 20 0 EHADMM COc1cccc(CC2(C(=O)[N-]OCC(F)(F)F)CCCCC2)c1 ZINC000813487900 1136339800 /nfs/dbraw/zinc/33/98/00/1136339800.db2.gz SRGRCBKOMBZUMV-UHFFFAOYSA-N -1 1 345.361 3.798 20 0 EHADMM O=C(OCc1ccccc1)c1ccc(C(=O)OC[C@H]2CCC2(F)F)[n-]1 ZINC000851321510 1136367263 /nfs/dbraw/zinc/36/72/63/1136367263.db2.gz YRRYSPCXWWIQBR-CYBMUJFWSA-N -1 1 349.333 3.574 20 0 EHADMM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(F)c([O-])c1 ZINC001135301518 1136655297 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Cc1ccc(C(F)(F)C(=O)[N-]Cc2c(F)cc(F)cc2F)cc1 ZINC000818523709 1136879072 /nfs/dbraw/zinc/87/90/72/1136879072.db2.gz YBZGZHLWBLCRQH-UHFFFAOYSA-N -1 1 329.268 3.821 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)[C@@H]2CCCCO2)c1 ZINC000858423576 1136966475 /nfs/dbraw/zinc/96/64/75/1136966475.db2.gz LLPAPBPNCXIEBC-WFASDCNBSA-N -1 1 344.377 3.543 20 0 EHADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc2onc(Cl)c2c1 ZINC000821128118 1137017685 /nfs/dbraw/zinc/01/76/85/1137017685.db2.gz SMGLAIIOYHTPST-UHFFFAOYSA-N -1 1 348.811 3.771 20 0 EHADMM O=S(=O)([N-]c1ccc2nc(Cl)sc2c1)c1cccc(F)c1 ZINC000821097376 1137018370 /nfs/dbraw/zinc/01/83/70/1137018370.db2.gz SHOBHXBBCYBPQL-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM O=C(COC(=O)c1ccc([O-])cc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000859623044 1137023285 /nfs/dbraw/zinc/02/32/85/1137023285.db2.gz RCJDBGGDWABEAK-NXEZZACHSA-N -1 1 348.292 3.626 20 0 EHADMM Cc1noc2ncc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)cc12 ZINC001136501068 1137038773 /nfs/dbraw/zinc/03/87/73/1137038773.db2.gz INTGFBOJZDNCRO-UHFFFAOYSA-N -1 1 337.257 3.508 20 0 EHADMM COc1cccc(C[C@@H](C)CC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC000821980641 1137045176 /nfs/dbraw/zinc/04/51/76/1137045176.db2.gz RURFDXUGQUPNKS-LLVKDONJSA-N -1 1 335.350 3.886 20 0 EHADMM C[C@@H](CNC(=O)c1ccc([O-])cn1)c1c(Cl)cccc1Cl ZINC001136522133 1137045795 /nfs/dbraw/zinc/04/57/95/1137045795.db2.gz CVCQEJHDCOVDDS-VIFPVBQESA-N -1 1 325.195 3.628 20 0 EHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1coc2c1C(=O)CCC2 ZINC000822685815 1137070399 /nfs/dbraw/zinc/07/03/99/1137070399.db2.gz BTASHWBJDNHJCZ-UHFFFAOYSA-N -1 1 345.424 3.950 20 0 EHADMM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1c(F)ccc([O-])c1F ZINC000825491701 1137179477 /nfs/dbraw/zinc/17/94/77/1137179477.db2.gz GWNPFEBYMULNMJ-DTWKUNHWSA-N -1 1 335.272 3.545 20 0 EHADMM CCc1ccc(-c2csc(NC(=O)c3ccc([O-])cn3)n2)s1 ZINC001144373967 1137280362 /nfs/dbraw/zinc/28/03/62/1137280362.db2.gz FAOVFHJQZMUBQC-UHFFFAOYSA-N -1 1 331.422 3.787 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(Sc3ccncc3)CC2)c(F)c1 ZINC001144559150 1137309753 /nfs/dbraw/zinc/30/97/53/1137309753.db2.gz JPRCFUWGAOKDOA-UHFFFAOYSA-N -1 1 336.407 3.822 20 0 EHADMM COc1ccccc1OC1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144657825 1137323646 /nfs/dbraw/zinc/32/36/46/1137323646.db2.gz JTQDCXYORUPODD-UHFFFAOYSA-N -1 1 349.377 3.722 20 0 EHADMM [O-]c1cc(F)c(CN2CCC(Oc3ccc(F)cc3)CC2)cc1F ZINC001144667071 1137325100 /nfs/dbraw/zinc/32/51/00/1137325100.db2.gz QWENOYBQOOKFNY-UHFFFAOYSA-N -1 1 337.341 3.853 20 0 EHADMM [O-]c1cc(F)c(CN2Cc3cnc(-c4ccccc4)nc3C2)cc1F ZINC001144659408 1137327171 /nfs/dbraw/zinc/32/71/71/1137327171.db2.gz HVNWMQFDFVCRHG-UHFFFAOYSA-N -1 1 339.345 3.643 20 0 EHADMM C/C(=C/CN1CCC[C@H]1c1ccc(Br)c(C)c1)C(=O)[O-] ZINC000846255746 1137344118 /nfs/dbraw/zinc/34/41/18/1137344118.db2.gz FWDKPTOLHRHPFK-QARUFBMTSA-N -1 1 338.245 3.925 20 0 EHADMM CCC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC000867918871 1137389558 /nfs/dbraw/zinc/38/95/58/1137389558.db2.gz RZYRIKNSEVVIOJ-QFBILLFUSA-N -1 1 347.842 3.607 20 0 EHADMM COc1ccccc1C1(NC(=O)c2ccc(Cl)cc2[O-])CCC1 ZINC001146822805 1137394842 /nfs/dbraw/zinc/39/48/42/1137394842.db2.gz PECYYDSUSAVDJF-UHFFFAOYSA-N -1 1 331.799 3.863 20 0 EHADMM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])C1(C)C ZINC001147896764 1137414011 /nfs/dbraw/zinc/41/40/11/1137414011.db2.gz UBMHONSEUBSVLW-UZLBHIALSA-N -1 1 343.423 3.527 20 0 EHADMM C[C@]1(CCNC(=O)Cc2ccc([O-])c(Cl)c2)CC1(Cl)Cl ZINC000868734694 1137421564 /nfs/dbraw/zinc/42/15/64/1137421564.db2.gz ZQZUFFVZKBMYAX-ZDUSSCGKSA-N -1 1 336.646 3.678 20 0 EHADMM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC001148301220 1137421621 /nfs/dbraw/zinc/42/16/21/1137421621.db2.gz SUMPUGAJEFZFHV-BEFAXECRSA-N -1 1 327.424 3.726 20 0 EHADMM CC[C@@H](CNC(=O)c1c([O-])cccc1Cl)Oc1ccccc1C ZINC001148294784 1137422514 /nfs/dbraw/zinc/42/25/14/1137422514.db2.gz NCSHVDOQJDTJKL-ZDUSSCGKSA-N -1 1 333.815 3.941 20 0 EHADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3C[C@H](C)c4ccccc43)cc2)[n-]1 ZINC001148335725 1137422789 /nfs/dbraw/zinc/42/27/89/1137422789.db2.gz HJSATNZZYDUQMH-ORAYPTAESA-N -1 1 347.418 3.778 20 0 EHADMM CCC1(CNC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC001148755169 1137433965 /nfs/dbraw/zinc/43/39/65/1137433965.db2.gz UNXOOYRPUHRXSV-UHFFFAOYSA-N -1 1 349.228 3.623 20 0 EHADMM O=C(Nc1nccc2cnccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001148793934 1137435014 /nfs/dbraw/zinc/43/50/14/1137435014.db2.gz FAECQDWABFSASF-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM O=C(N[C@H]1CCCc2nccnc21)c1cccc(-c2ccccc2)c1[O-] ZINC001148873350 1137437147 /nfs/dbraw/zinc/43/71/47/1137437147.db2.gz UYKFLRUMIRWKPM-SFHVURJKSA-N -1 1 345.402 3.657 20 0 EHADMM O=C(Nc1ccc(F)c([O-])c1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC001148940607 1137438436 /nfs/dbraw/zinc/43/84/36/1137438436.db2.gz LGTXIHYVWIBKOW-UHFFFAOYSA-N -1 1 333.318 3.995 20 0 EHADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874698131 1137621631 /nfs/dbraw/zinc/62/16/31/1137621631.db2.gz UADBRYWBULWLEZ-UHFFFAOYSA-N -1 1 328.397 3.877 20 0 EHADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2F)C12CCCCC2 ZINC001137083255 1137625990 /nfs/dbraw/zinc/62/59/90/1137625990.db2.gz GJLDXZIWNBENAP-HZPDHXFCSA-N -1 1 335.419 3.731 20 0 EHADMM Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394685 1137650703 /nfs/dbraw/zinc/65/07/03/1137650703.db2.gz ZPUQOOUCGKWSSU-INIZCTEOSA-N -1 1 347.846 3.821 20 0 EHADMM COc1ccccc1[C@@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000877755222 1137688198 /nfs/dbraw/zinc/68/81/98/1137688198.db2.gz GARAJOCFMQVTLY-KRWDZBQOSA-N -1 1 333.815 3.628 20 0 EHADMM CC(=O)Nc1ccc2c(c1)CN(Cc1cccc([O-])c1Cl)CC2 ZINC000877817948 1137691405 /nfs/dbraw/zinc/69/14/05/1137691405.db2.gz UIEBDPXJHJXTPC-UHFFFAOYSA-N -1 1 330.815 3.562 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2CCSC(C)(C)C2)cc(Cl)c1[O-] ZINC000888814799 1137778394 /nfs/dbraw/zinc/77/83/94/1137778394.db2.gz IKYZFGQAVJBLON-NSHDSACASA-N -1 1 343.876 3.848 20 0 EHADMM CCCCC[C@](C)(CC)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000880650948 1137783298 /nfs/dbraw/zinc/78/32/98/1137783298.db2.gz BCWNUIQGVRSBEX-INIZCTEOSA-N -1 1 325.478 3.517 20 0 EHADMM CCCCC[C@@](C)(CC)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000880650949 1137783363 /nfs/dbraw/zinc/78/33/63/1137783363.db2.gz BCWNUIQGVRSBEX-MRXNPFEDSA-N -1 1 325.478 3.517 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888832823 1137786858 /nfs/dbraw/zinc/78/68/58/1137786858.db2.gz DLZKXLLKZHHSCA-LIRRHRJNSA-N -1 1 342.826 3.521 20 0 EHADMM Cc1ccc([C@H]2COCCN2C(=O)c2cc3ccccc3cc2[O-])o1 ZINC000116704011 1137927036 /nfs/dbraw/zinc/92/70/36/1137927036.db2.gz QTEUFKRNWCOZTA-QGZVFWFLSA-N -1 1 337.375 3.661 20 0 EHADMM COc1ccc([C@H](NC(=O)c2c(F)ccc([O-])c2F)C2CCC2)cc1 ZINC000885403955 1137999865 /nfs/dbraw/zinc/99/98/65/1137999865.db2.gz FSQVYQMYKREROD-GOSISDBHSA-N -1 1 347.361 3.950 20 0 EHADMM CC[C@H](C)n1nc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1C ZINC000885676499 1138017914 /nfs/dbraw/zinc/01/79/14/1138017914.db2.gz PESTWGXJGTUREE-QMMMGPOBSA-N -1 1 325.771 3.913 20 0 EHADMM CN(C)c1ccc(C2(C(=O)Nc3cc(F)c([O-])cc3Cl)CC2)cc1 ZINC000885678009 1138018298 /nfs/dbraw/zinc/01/82/98/1138018298.db2.gz GSTFQRZACCICQP-UHFFFAOYSA-N -1 1 348.805 3.921 20 0 EHADMM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000094163053 1138244025 /nfs/dbraw/zinc/24/40/25/1138244025.db2.gz UDVAXXOGSOSCSN-CQSZACIVSA-N -1 1 349.228 3.773 20 0 EHADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCCc2ccc(F)cc21 ZINC000131850044 1138545969 /nfs/dbraw/zinc/54/59/69/1138545969.db2.gz RGMBDUJIMDFFQJ-OAHLLOKOSA-N -1 1 343.427 3.633 20 0 EHADMM Cc1nc(CN(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)cs1 ZINC000338395119 1138887078 /nfs/dbraw/zinc/88/70/78/1138887078.db2.gz MVURXRLRFNYJNJ-UHFFFAOYSA-N -1 1 347.827 3.631 20 0 EHADMM CC1(c2ccccc2)CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000153609990 1139144326 /nfs/dbraw/zinc/14/43/26/1139144326.db2.gz MAFKICCZTMLSEY-UHFFFAOYSA-N -1 1 339.464 3.538 20 0 EHADMM COc1cnc([C@H]2CCCN2C(=O)C(CC(C)C)CC(C)C)[n-]c1=O ZINC000889787971 1139268684 /nfs/dbraw/zinc/26/86/84/1139268684.db2.gz UBIGZVDNOARNQE-OAHLLOKOSA-N -1 1 349.475 3.563 20 0 EHADMM O=C(CC1CCC(C(F)(F)F)CC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000180649474 1139853125 /nfs/dbraw/zinc/85/31/25/1139853125.db2.gz RHWJUEMJPCQAGK-UHFFFAOYSA-N -1 1 344.259 3.521 20 0 EHADMM O=S(=O)([N-]CCCC(F)(F)F)c1cccc(Cl)c1Cl ZINC000266458104 1140689898 /nfs/dbraw/zinc/68/98/98/1140689898.db2.gz PRXGNFYYOUMEPD-UHFFFAOYSA-N -1 1 336.162 3.614 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(SC)c2C)c1 ZINC000271595521 1141403523 /nfs/dbraw/zinc/40/35/23/1141403523.db2.gz GYEMLWSOYCCCOA-UHFFFAOYSA-N -1 1 337.466 3.664 20 0 EHADMM CCc1sc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1C ZINC000339124099 1141503082 /nfs/dbraw/zinc/50/30/82/1141503082.db2.gz SFVOHBWNWDSDBU-UHFFFAOYSA-N -1 1 327.409 3.967 20 0 EHADMM Cc1cccn2cc(-c3ccc(NC(=O)c4cncc([O-])c4)cc3)nc12 ZINC000348809511 1141583931 /nfs/dbraw/zinc/58/39/31/1141583931.db2.gz PJNMZAZPDWOHJU-UHFFFAOYSA-N -1 1 344.374 3.663 20 0 EHADMM Cc1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c(C)o1 ZINC000349061933 1141631584 /nfs/dbraw/zinc/63/15/84/1141631584.db2.gz YWGAPCBWGSOODD-LLVKDONJSA-N -1 1 327.368 3.542 20 0 EHADMM CC(C)Oc1cccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)c1 ZINC000349069984 1141632084 /nfs/dbraw/zinc/63/20/84/1141632084.db2.gz AGHSKPUACYNTBZ-UHFFFAOYSA-N -1 1 335.350 3.730 20 0 EHADMM O=C([O-])C[C@@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000532881103 597077311 /nfs/dbraw/zinc/07/73/11/597077311.db2.gz NKXZCNGUQVAHNQ-LBPRGKRZSA-N -1 1 334.416 3.636 20 0 EHADMM FC(F)(F)Cc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822719063 607319081 /nfs/dbraw/zinc/31/90/81/607319081.db2.gz YNDYATPLYXLMMG-UHFFFAOYSA-N -1 1 339.346 3.645 20 0 EHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1nc2ccc(Cl)cc2n1C ZINC000820147697 598192007 /nfs/dbraw/zinc/19/20/07/598192007.db2.gz AHMDNKFXSRQOOX-LLVKDONJSA-N -1 1 343.814 3.776 20 0 EHADMM Fc1cccc(Oc2cccc(Oc3ccccn3)c2)c1-c1nnn[n-]1 ZINC000737666263 598237018 /nfs/dbraw/zinc/23/70/18/598237018.db2.gz WBRXOTXRWKIXFQ-UHFFFAOYSA-N -1 1 349.325 3.985 20 0 EHADMM Fc1cccc(Oc2cccc(Oc3ccccn3)c2)c1-c1nn[n-]n1 ZINC000737666263 598237019 /nfs/dbraw/zinc/23/70/19/598237019.db2.gz WBRXOTXRWKIXFQ-UHFFFAOYSA-N -1 1 349.325 3.985 20 0 EHADMM C[C@@H](Cc1ccccc1Cl)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736059719 598574412 /nfs/dbraw/zinc/57/44/12/598574412.db2.gz VYHCLKNEKITQMD-VIFPVBQESA-N -1 1 349.225 3.612 20 0 EHADMM C[C@@H](Cc1ccccc1Cl)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736059719 598574414 /nfs/dbraw/zinc/57/44/14/598574414.db2.gz VYHCLKNEKITQMD-VIFPVBQESA-N -1 1 349.225 3.612 20 0 EHADMM Cc1cc(C)cc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737253283 598580137 /nfs/dbraw/zinc/58/01/37/598580137.db2.gz PWCOKBLYNLMSQU-NSHDSACASA-N -1 1 328.807 3.705 20 0 EHADMM Cc1cc(C)cc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737253283 598580139 /nfs/dbraw/zinc/58/01/39/598580139.db2.gz PWCOKBLYNLMSQU-NSHDSACASA-N -1 1 328.807 3.705 20 0 EHADMM C[C@H]1C[C@@H]1c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000820676091 599484465 /nfs/dbraw/zinc/48/44/65/599484465.db2.gz LPKKLKOJUPUOCG-FZMZJTMJSA-N -1 1 346.394 3.743 20 0 EHADMM C[C@H]1C[C@@H]1c1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000820676091 599484466 /nfs/dbraw/zinc/48/44/66/599484466.db2.gz LPKKLKOJUPUOCG-FZMZJTMJSA-N -1 1 346.394 3.743 20 0 EHADMM CSc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000821983903 599493594 /nfs/dbraw/zinc/49/35/94/599493594.db2.gz KJLOEFNMQXUZAV-UHFFFAOYSA-N -1 1 348.435 3.749 20 0 EHADMM CSc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000821983903 599493596 /nfs/dbraw/zinc/49/35/96/599493596.db2.gz KJLOEFNMQXUZAV-UHFFFAOYSA-N -1 1 348.435 3.749 20 0 EHADMM COc1cc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)ccc1SC ZINC000570286101 599714039 /nfs/dbraw/zinc/71/40/39/599714039.db2.gz CMQOQGYDIWQBDV-LLVKDONJSA-N -1 1 335.425 3.901 20 0 EHADMM O=C([O-])[C@@H](NCc1cc2ccccc2nc1Cl)c1ccccc1 ZINC000739500532 599785355 /nfs/dbraw/zinc/78/53/55/599785355.db2.gz OGEHTSYZSZRSSW-INIZCTEOSA-N -1 1 326.783 3.804 20 0 EHADMM O=C([O-])c1coc(CSc2nc(C=Cc3ccccc3)n[nH]2)c1 ZINC000740268675 599804089 /nfs/dbraw/zinc/80/40/89/599804089.db2.gz CWSUZPIKSDIFRD-VOTSOKGWSA-N -1 1 327.365 3.559 20 0 EHADMM O=C([O-])c1coc(CSc2nc(C=Cc3ccccc3)n[nH]2)c1 ZINC000740268673 599804162 /nfs/dbraw/zinc/80/41/62/599804162.db2.gz CWSUZPIKSDIFRD-SREVYHEPSA-N -1 1 327.365 3.559 20 0 EHADMM C[C@@H](C[N@@H+](Cn1c2ccc(Cl)cc2oc1=S)C1CC1)C(=O)[O-] ZINC000736580521 599933138 /nfs/dbraw/zinc/93/31/38/599933138.db2.gz CNZURGNSSXZDRQ-VIFPVBQESA-N -1 1 340.832 3.760 20 0 EHADMM C[C@@H](CN(Cn1c2ccc(Cl)cc2oc1=S)C1CC1)C(=O)[O-] ZINC000736580521 599933141 /nfs/dbraw/zinc/93/31/41/599933141.db2.gz CNZURGNSSXZDRQ-VIFPVBQESA-N -1 1 340.832 3.760 20 0 EHADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccnc2ccccc21 ZINC000736822546 600207743 /nfs/dbraw/zinc/20/77/43/600207743.db2.gz DTJJTGWCYIGWAI-HNNXBMFYSA-N -1 1 347.418 3.648 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1cccc(C(=O)[O-])c1 ZINC000736821301 600332639 /nfs/dbraw/zinc/33/26/39/600332639.db2.gz KQUDTRSJCVOEEM-CLCXKQKWSA-N -1 1 325.408 3.735 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1Cl ZINC000048807038 600478363 /nfs/dbraw/zinc/47/83/63/600478363.db2.gz CKOLIARKDPYUIE-UHFFFAOYSA-N -1 1 326.135 3.650 20 0 EHADMM Cc1ccccc1[C@H]1CN(Cc2cccc(C(=O)[O-])c2)[C@@H](C)CO1 ZINC000263508788 600832775 /nfs/dbraw/zinc/83/27/75/600832775.db2.gz YBMLYYXQBSOJQH-HNAYVOBHSA-N -1 1 325.408 3.655 20 0 EHADMM Cc1ccc(C)c([C@@H]2CN(Cc3cccc(C(=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000263475936 600835105 /nfs/dbraw/zinc/83/51/05/600835105.db2.gz MPHHRWRMQOUISC-JXFKEZNVSA-N -1 1 339.435 3.964 20 0 EHADMM Cc1ccc(C)c([C@H]2CN(Cc3cccc(C(=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000263475939 600835143 /nfs/dbraw/zinc/83/51/43/600835143.db2.gz MPHHRWRMQOUISC-OXJNMPFZSA-N -1 1 339.435 3.964 20 0 EHADMM O=C([O-])c1cc(Cl)cc(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000325341510 600890187 /nfs/dbraw/zinc/89/01/87/600890187.db2.gz CJESOGUXHWEGJS-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM Cc1ccccc1-c1cnc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])o1 ZINC000547807046 600986059 /nfs/dbraw/zinc/98/60/59/600986059.db2.gz WDWCAIANBXYCCO-UAGQMJEPSA-N -1 1 340.423 3.868 20 0 EHADMM O=C([O-])c1ccccc1CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000740239828 600987515 /nfs/dbraw/zinc/98/75/15/600987515.db2.gz LPJHZOASYZIXOZ-UHFFFAOYSA-N -1 1 347.346 3.740 20 0 EHADMM O=C([O-])c1ccc(OCCN2CCC[C@H]2c2ccccn2)c(Cl)c1 ZINC000833321482 601319543 /nfs/dbraw/zinc/31/95/43/601319543.db2.gz UWHJVVIDMNMOHT-INIZCTEOSA-N -1 1 346.814 3.649 20 0 EHADMM C[C@@H](C(=O)[O-])[C@H](NCc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000826052550 601656573 /nfs/dbraw/zinc/65/65/73/601656573.db2.gz GSFZLYNJZJKEHJ-WBMJQRKESA-N -1 1 332.469 3.992 20 0 EHADMM C[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824757624 607534106 /nfs/dbraw/zinc/53/41/06/607534106.db2.gz YNHYUOGCFLEBGH-JTQLQIEISA-N -1 1 331.832 3.910 20 0 EHADMM C[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824757624 607534107 /nfs/dbraw/zinc/53/41/07/607534107.db2.gz YNHYUOGCFLEBGH-JTQLQIEISA-N -1 1 331.832 3.910 20 0 EHADMM CC1(C)CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000828074948 602042725 /nfs/dbraw/zinc/04/27/25/602042725.db2.gz VNWVNXJBXMFZII-CYBMUJFWSA-N -1 1 332.227 3.620 20 0 EHADMM c1ccc(Oc2ccc(NCc3ccnc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000826522763 607548269 /nfs/dbraw/zinc/54/82/69/607548269.db2.gz NGVOASBTOFHFEB-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM c1ccc(Oc2ccc(NCc3ccnc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000826522763 607548271 /nfs/dbraw/zinc/54/82/71/607548271.db2.gz NGVOASBTOFHFEB-UHFFFAOYSA-N -1 1 344.378 3.666 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@H]2CC(=O)c2cccs2)s1 ZINC000833313466 602239266 /nfs/dbraw/zinc/23/92/66/602239266.db2.gz WGMJUIONLSVTDO-NSHDSACASA-N -1 1 335.450 3.745 20 0 EHADMM O=C([O-])[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1cccc(Cl)c1 ZINC000833168178 602305492 /nfs/dbraw/zinc/30/54/92/602305492.db2.gz VOEWZBPZNCKHMA-ZFWWWQNUSA-N -1 1 338.190 3.842 20 0 EHADMM COc1ccc(OC)c(CN(Cc2occc2C(=O)[O-])C(C)(C)C)c1 ZINC000832435977 602326220 /nfs/dbraw/zinc/32/62/20/602326220.db2.gz NBUNSIVEPHKMBC-UHFFFAOYSA-N -1 1 347.411 3.796 20 0 EHADMM Cc1oc(-c2ccsc2)nc1CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740274532 602449540 /nfs/dbraw/zinc/44/95/40/602449540.db2.gz NZOQDDQUQJQFSM-NSHDSACASA-N -1 1 349.456 3.580 20 0 EHADMM Cc1nc2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3Cl)cc2[nH]1 ZINC000740230309 603270438 /nfs/dbraw/zinc/27/04/38/603270438.db2.gz UEQAATCVKQCGHO-UHFFFAOYSA-N -1 1 344.758 3.867 20 0 EHADMM C[C@@H](c1cccc(Br)c1)N1CCC(CC(=O)[O-])CC1 ZINC000093682227 604333288 /nfs/dbraw/zinc/33/32/88/604333288.db2.gz JIWULDJUPQCVRU-NSHDSACASA-N -1 1 326.234 3.697 20 0 EHADMM C[C@H](Oc1ccc(CN(Cc2ccccc2F)C2CC2)cc1)C(=O)[O-] ZINC000833537515 604523407 /nfs/dbraw/zinc/52/34/07/604523407.db2.gz KQFXHBSZYHIFHB-AWEZNQCLSA-N -1 1 343.398 3.842 20 0 EHADMM C[C@@H](Oc1ccc(CN(C)[C@@H](C)c2ccccc2F)cc1)C(=O)[O-] ZINC000833539174 604533317 /nfs/dbraw/zinc/53/33/17/604533317.db2.gz XLGSWPHSHUUSRY-UONOGXRCSA-N -1 1 331.387 3.871 20 0 EHADMM Cc1ccc(-c2ncc(CN(CC(=O)[O-])C3CCCC3)s2)cc1 ZINC000833746444 604663473 /nfs/dbraw/zinc/66/34/73/604663473.db2.gz GVKSVWAORZQCDV-UHFFFAOYSA-N -1 1 330.453 3.948 20 0 EHADMM CC(C)[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833465845 604868800 /nfs/dbraw/zinc/86/88/00/604868800.db2.gz NUMZWNDXCWIDFA-HNNXBMFYSA-N -1 1 337.379 3.639 20 0 EHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3ccco3)n2)C1 ZINC000321986844 604944825 /nfs/dbraw/zinc/94/48/25/604944825.db2.gz DIHYJNFUTLXHFQ-GFCCVEGCSA-N -1 1 334.441 3.726 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000833681048 605071135 /nfs/dbraw/zinc/07/11/35/605071135.db2.gz SJRQEVVAEZVPKC-JTQLQIEISA-N -1 1 339.338 3.992 20 0 EHADMM CCc1nc(C)c([C@H](C)N(C)Cc2ccc(OCC(=O)[O-])cc2)s1 ZINC000833673325 605297882 /nfs/dbraw/zinc/29/78/82/605297882.db2.gz JLPKYHRBASZBKO-ZDUSSCGKSA-N -1 1 348.468 3.670 20 0 EHADMM O=C([O-])Nc1cccc(CN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000834269830 605607343 /nfs/dbraw/zinc/60/73/43/605607343.db2.gz STHVXKHPIFZVPS-GOSISDBHSA-N -1 1 336.395 3.504 20 0 EHADMM O=C([O-])N1CCC[C@H](N[C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000834098756 605627350 /nfs/dbraw/zinc/62/73/50/605627350.db2.gz NACXLNUHBXZFCX-RDJZCZTQSA-N -1 1 345.830 3.556 20 0 EHADMM C[C@H](CCN[C@@H](c1cc2ccccc2o1)c1cccnc1)NC(=O)[O-] ZINC000833806515 605686263 /nfs/dbraw/zinc/68/62/63/605686263.db2.gz XVFYFWZVTDNEDC-FZKQIMNGSA-N -1 1 339.395 3.553 20 0 EHADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000833814104 605769117 /nfs/dbraw/zinc/76/91/17/605769117.db2.gz RIASYMSIDBNUKA-DZGCQCFKSA-N -1 1 345.468 3.678 20 0 EHADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2c1 ZINC000820392668 606493737 /nfs/dbraw/zinc/49/37/37/606493737.db2.gz YIQIDQDDXVHIBF-NSHDSACASA-N -1 1 349.419 3.572 20 0 EHADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2c1 ZINC000820392668 606493739 /nfs/dbraw/zinc/49/37/39/606493739.db2.gz YIQIDQDDXVHIBF-NSHDSACASA-N -1 1 349.419 3.572 20 0 EHADMM CC(C)CCc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820081796 606538603 /nfs/dbraw/zinc/53/86/03/606538603.db2.gz WCBNFLHRSIIMMD-UHFFFAOYSA-N -1 1 341.440 3.769 20 0 EHADMM CC(C)CCc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820081796 606538605 /nfs/dbraw/zinc/53/86/05/606538605.db2.gz WCBNFLHRSIIMMD-UHFFFAOYSA-N -1 1 341.440 3.769 20 0 EHADMM Fc1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC000822786424 606764125 /nfs/dbraw/zinc/76/41/25/606764125.db2.gz JWVYXNPLCOJBDY-TWGQIWQCSA-N -1 1 347.762 3.945 20 0 EHADMM CSc1cc(C)ccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821979691 606800752 /nfs/dbraw/zinc/80/07/52/606800752.db2.gz VBLREBRIAHPDPM-UHFFFAOYSA-N -1 1 346.847 3.558 20 0 EHADMM CSc1cc(C)ccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821979691 606800754 /nfs/dbraw/zinc/80/07/54/606800754.db2.gz VBLREBRIAHPDPM-UHFFFAOYSA-N -1 1 346.847 3.558 20 0 EHADMM CCC(C)(C)c1ccc(Oc2nccnc2-c2nn[n-]n2)c(Cl)c1 ZINC000820847595 607039526 /nfs/dbraw/zinc/03/95/26/607039526.db2.gz HMJLXSLKLSWHRN-UHFFFAOYSA-N -1 1 344.806 3.790 20 0 EHADMM Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826376141 608306668 /nfs/dbraw/zinc/30/66/68/608306668.db2.gz PVLMHVVQCVEOPE-ZDUSSCGKSA-N -1 1 344.781 3.544 20 0 EHADMM Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826376141 608306669 /nfs/dbraw/zinc/30/66/69/608306669.db2.gz PVLMHVVQCVEOPE-ZDUSSCGKSA-N -1 1 344.781 3.544 20 0 EHADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000349454378 971527667 /nfs/dbraw/zinc/52/76/67/971527667.db2.gz DWLBHKXZIMMRGX-UHFFFAOYSA-N -1 1 335.363 3.644 20 0 EHADMM C[C@@H]1CCCC[C@H]1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001576171081 949747283 /nfs/dbraw/zinc/74/72/83/949747283.db2.gz OCZJEJKNFOOMRL-ZJUUUORDSA-N -1 1 340.353 3.519 20 0 EHADMM C[C@@H]1CCCC[C@H]1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001576171081 949747293 /nfs/dbraw/zinc/74/72/93/949747293.db2.gz OCZJEJKNFOOMRL-ZJUUUORDSA-N -1 1 340.353 3.519 20 0 EHADMM Cn1nc(C(=O)[O-])cc1CN1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000635302863 953877696 /nfs/dbraw/zinc/87/76/96/953877696.db2.gz DUYJCLVEZKKAID-FLVLSHQESA-N -1 1 339.439 3.576 20 0 EHADMM Cc1ccccc1-c1noc([C@H](C)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000652496321 954090942 /nfs/dbraw/zinc/09/09/42/954090942.db2.gz RVJSCDRHKQYMCL-LSDHHAIUSA-N -1 1 343.427 3.683 20 0 EHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2cccc(F)c2OC(F)F)C1 ZINC000923471690 957120640 /nfs/dbraw/zinc/12/06/40/957120640.db2.gz YKVISQJESXHJHX-INIZCTEOSA-N -1 1 331.334 3.504 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000261693658 961388374 /nfs/dbraw/zinc/38/83/74/961388374.db2.gz JHVNUKCOBSFIPQ-CYBMUJFWSA-N -1 1 334.441 3.788 20 0 EHADMM O=C([O-])[C@H]1C[C@H](NCc2cnc(-c3ccccc3)nc2)c2ccccc21 ZINC001574648638 962405527 /nfs/dbraw/zinc/40/55/27/962405527.db2.gz DJRZWBKLSBXGFD-OALUTQOASA-N -1 1 345.402 3.546 20 0 EHADMM C[C@H]1CN(Cc2cc(Br)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311406537 967950417 /nfs/dbraw/zinc/95/04/17/967950417.db2.gz XBHUPVSEWMDEMG-CABZTGNLSA-N -1 1 346.652 3.645 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629358251 968521647 /nfs/dbraw/zinc/52/16/47/968521647.db2.gz CKUQJLIVKNRKEX-SECBINFHSA-N -1 1 341.194 3.555 20 0 EHADMM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000318148343 970414406 /nfs/dbraw/zinc/41/44/06/970414406.db2.gz BAILRHMHWGPABQ-UHFFFAOYSA-N -1 1 339.438 3.679 20 0 EHADMM Cc1ccccc1CN(C)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001605356346 973270697 /nfs/dbraw/zinc/27/06/97/973270697.db2.gz QLCYWEBSBNDFMV-QGZVFWFLSA-N -1 1 342.439 3.521 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccc(OC(F)F)cc2)nc1C1CC1 ZINC000417708405 973967163 /nfs/dbraw/zinc/96/71/63/973967163.db2.gz RUTKJYCMIZMLAA-UHFFFAOYSA-N -1 1 348.349 3.548 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1cccs1 ZINC000426779911 974048078 /nfs/dbraw/zinc/04/80/78/974048078.db2.gz MMNLDSFZDSRJIK-LBPRGKRZSA-N -1 1 333.306 3.822 20 0 EHADMM CCOC(=O)[C@H](CC(C)C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001603779564 974234522 /nfs/dbraw/zinc/23/45/22/974234522.db2.gz FEZZINIBYVBQGP-SFHVURJKSA-N -1 1 347.455 3.542 20 0 EHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)cc(Br)c2)C1 ZINC000516976032 974312755 /nfs/dbraw/zinc/31/27/55/974312755.db2.gz RPQURJVUDAOINW-CQSZACIVSA-N -1 1 346.652 3.789 20 0 EHADMM Cc1ccccc1OCCN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000519602783 974330557 /nfs/dbraw/zinc/33/05/57/974330557.db2.gz IPUXBPCMUNLFCB-UHFFFAOYSA-N -1 1 333.815 3.857 20 0 EHADMM Cc1ccc(C(=O)C2CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000520416442 974338264 /nfs/dbraw/zinc/33/82/64/974338264.db2.gz CRJKBSROLPOJGY-CQSZACIVSA-N -1 1 341.407 3.942 20 0 EHADMM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)cc1OC ZINC000565101778 974567797 /nfs/dbraw/zinc/56/77/97/974567797.db2.gz WXZHSPRXOZRKPQ-OAHLLOKOSA-N -1 1 345.395 3.641 20 0 EHADMM CC(C)C[C@H](C(=O)[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000575130821 974795804 /nfs/dbraw/zinc/79/58/04/974795804.db2.gz IEHTVEHCCLANGA-HUUCEWRRSA-N -1 1 346.254 3.866 20 0 EHADMM C[C@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000629497308 975095220 /nfs/dbraw/zinc/09/52/20/975095220.db2.gz CCYPHAOANCRSBM-GXSJLCMTSA-N -1 1 335.753 3.901 20 0 EHADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000579719350 1014254103 /nfs/dbraw/zinc/25/41/03/1014254103.db2.gz AYRKVYLJEDVURH-YVEFUNNKSA-N -1 1 345.826 3.862 20 0 EHADMM CO[C@H](CN(CCC(=O)[O-])Cc1cccc(F)c1F)c1ccccc1 ZINC000652483681 975551247 /nfs/dbraw/zinc/55/12/47/975551247.db2.gz XCLMMMCQBWXMOC-QGZVFWFLSA-N -1 1 349.377 3.629 20 0 EHADMM CC(C)Oc1ccc(CN[C@H](C)c2ccccc2OCC(=O)[O-])cc1 ZINC001591775206 975917363 /nfs/dbraw/zinc/91/73/63/975917363.db2.gz LYMSSIIMKFOXJX-OAHLLOKOSA-N -1 1 343.423 3.788 20 0 EHADMM CC(C)Oc1ccc(NC(=O)c2c(O)cccc2Cl)c(C(=O)[O-])c1 ZINC001591787935 975966423 /nfs/dbraw/zinc/96/64/23/975966423.db2.gz HTOVWBKMUJGHEF-UHFFFAOYSA-N -1 1 349.770 3.783 20 0 EHADMM C[C@@H](NC[C@H](C)Oc1ccccc1Cl)c1ncc(C(=O)[O-])s1 ZINC001592705304 979167918 /nfs/dbraw/zinc/16/79/18/979167918.db2.gz COAXUHDAZCECMZ-VHSXEESVSA-N -1 1 340.832 3.613 20 0 EHADMM CC[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cc(F)ccc1OC ZINC001595277441 980306086 /nfs/dbraw/zinc/30/60/86/980306086.db2.gz UKAMVVCMHYPROT-WBVHZDCISA-N -1 1 335.350 3.840 20 0 EHADMM CC[C@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(C)c(F)c1 ZINC001595286014 980361285 /nfs/dbraw/zinc/36/12/85/980361285.db2.gz BOLFMPYDOKFYFP-KRWDZBQOSA-N -1 1 344.386 3.512 20 0 EHADMM CC[C@H](NCCOc1ccc(/C=C/C(=O)[O-])cc1)c1nc(C)cs1 ZINC001595294350 980408537 /nfs/dbraw/zinc/40/85/37/980408537.db2.gz PRHTUPMZTXTQJX-FSNWXROXSA-N -1 1 346.452 3.669 20 0 EHADMM CN(C)c1ccc(/C=C\CN2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000901744190 980474318 /nfs/dbraw/zinc/47/43/18/980474318.db2.gz DNHIYBYBGJGTLQ-ARJAWSKDSA-N -1 1 336.435 3.522 20 0 EHADMM COc1cc(CNCc2ccc(C(=O)[O-])cc2F)ccc1OC(C)C ZINC000901754168 980484157 /nfs/dbraw/zinc/48/41/57/980484157.db2.gz BZNYHVNSHOLQGR-UHFFFAOYSA-N -1 1 347.386 3.610 20 0 EHADMM COc1ccc2oc([C@@H](C)NCc3cccc(C(=O)[O-])n3)c(C)c2c1 ZINC000902227287 980791376 /nfs/dbraw/zinc/79/13/76/980791376.db2.gz YAKAGQDQGDYNII-GFCCVEGCSA-N -1 1 340.379 3.694 20 0 EHADMM C[C@H](NCc1cccc(C(=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC000902353004 980846532 /nfs/dbraw/zinc/84/65/32/980846532.db2.gz DTLLSSITYGTNGL-JTQLQIEISA-N -1 1 340.301 3.529 20 0 EHADMM C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923939 981041068 /nfs/dbraw/zinc/04/10/68/981041068.db2.gz DXBKYQVGWNGTIJ-VHSXEESVSA-N -1 1 338.379 3.670 20 0 EHADMM CC(C)(NCc1ccc(C(=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000905726774 981125804 /nfs/dbraw/zinc/12/58/04/981125804.db2.gz YOMYJFREZLMEPT-UHFFFAOYSA-N -1 1 338.329 3.824 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC000905802876 981159708 /nfs/dbraw/zinc/15/97/08/981159708.db2.gz JMONRVGMJPWBAR-LBPRGKRZSA-N -1 1 347.846 3.886 20 0 EHADMM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001625792307 1014761541 /nfs/dbraw/zinc/76/15/41/1014761541.db2.gz DGOWXMNLYSATOY-DZGCQCFKSA-N -1 1 345.361 3.735 20 0 EHADMM CCCC[C@@H](C(=O)[O-])N1CCc2cc(F)c(Br)cc2C1 ZINC001595628185 981782624 /nfs/dbraw/zinc/78/26/24/981782624.db2.gz PNWCJAGCGFCPII-AWEZNQCLSA-N -1 1 344.224 3.590 20 0 EHADMM CC(C)(C)C1CC(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000655014390 1014802717 /nfs/dbraw/zinc/80/27/17/1014802717.db2.gz WYKXITIWBIHXET-UHFFFAOYSA-N -1 1 343.467 3.886 20 0 EHADMM C[C@@H]1CN(Cc2ccc(Br)cc2Cl)C[C@H]1CC(=O)[O-] ZINC000722603255 1014853283 /nfs/dbraw/zinc/85/32/83/1014853283.db2.gz HUZKRIOSZQQARI-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM COCc1ccccc1/C=C(/C)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001119598329 982999933 /nfs/dbraw/zinc/99/99/33/982999933.db2.gz YJMLEIRGBXGEPG-ZROIWOOFSA-N -1 1 343.423 3.968 20 0 EHADMM Cc1[nH]c(C(=O)CN(C(C)C)[C@@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599948899 985575268 /nfs/dbraw/zinc/57/52/68/985575268.db2.gz TVNCVFXEJLVSGD-HNNXBMFYSA-N -1 1 342.439 3.984 20 0 EHADMM Cc1c(C(=O)[O-])cc(CN(C)Cc2cccc(C(F)(F)F)c2)n1C ZINC001599986427 986232512 /nfs/dbraw/zinc/23/25/12/986232512.db2.gz BFYUYYZRKBWBOZ-UHFFFAOYSA-N -1 1 340.345 3.683 20 0 EHADMM CCSc1ccccc1CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001597278968 987338193 /nfs/dbraw/zinc/33/81/93/987338193.db2.gz BJMPDCVDYSKVHW-GOSISDBHSA-N -1 1 330.453 3.673 20 0 EHADMM CCc1[nH]c(CN2CCC(Nc3cccc(C)c3)CC2)cc1C(=O)[O-] ZINC001597383085 987580249 /nfs/dbraw/zinc/58/02/49/987580249.db2.gz ARMMKSPBWJRKSA-UHFFFAOYSA-N -1 1 341.455 3.660 20 0 EHADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C)OCO2 ZINC000510123914 1015360319 /nfs/dbraw/zinc/36/03/19/1015360319.db2.gz HDVKLALNMQYFFC-UHFFFAOYSA-N -1 1 347.436 3.822 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC001597767427 989220062 /nfs/dbraw/zinc/22/00/62/989220062.db2.gz MRMNTUPZYQVIFQ-CQSZACIVSA-N -1 1 347.411 3.798 20 0 EHADMM COc1cccc2c1OCCC[C@@H]2NCc1ccc(C(=O)[O-])c(F)c1 ZINC001599694355 991124630 /nfs/dbraw/zinc/12/46/30/991124630.db2.gz YEAQSSANZZYJKG-INIZCTEOSA-N -1 1 345.370 3.536 20 0 EHADMM CC(C)[C@H](O)[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001591035740 991355578 /nfs/dbraw/zinc/35/55/78/991355578.db2.gz HANKEFVERATUIH-ROUUACIJSA-N -1 1 347.842 3.886 20 0 EHADMM O=S(=O)([N-]c1ccccc1F)c1c(F)cccc1Br ZINC000160927847 1120209751 /nfs/dbraw/zinc/20/97/51/1120209751.db2.gz UBMAZSUMFFPLOZ-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM CCc1sc(NC(=O)c2cncc([O-])c2)nc1-c1ccccc1 ZINC000339817713 1015692590 /nfs/dbraw/zinc/69/25/90/1015692590.db2.gz MKQUYCGCXLCGIV-UHFFFAOYSA-N -1 1 325.393 3.725 20 0 EHADMM C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1ccc(C(=O)[O-])o1 ZINC001593194887 994142628 /nfs/dbraw/zinc/14/26/28/994142628.db2.gz ARDCYQPFLIANHC-VHSXEESVSA-N -1 1 325.311 3.991 20 0 EHADMM C[C@H](N[C@H]1CCSc2c(F)cccc21)c1cncc(C(=O)[O-])c1 ZINC001593232045 994380931 /nfs/dbraw/zinc/38/09/31/994380931.db2.gz LRZSPQNDXPPDDT-BONVTDFDSA-N -1 1 332.400 3.807 20 0 EHADMM C[C@H](NCc1cc(C(=O)[O-])ccc1Br)c1ccccc1 ZINC001593289535 994663526 /nfs/dbraw/zinc/66/35/26/994663526.db2.gz SYRJBEFYYLLPSH-NSHDSACASA-N -1 1 334.213 3.998 20 0 EHADMM C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(C(C)(C)O)cc1 ZINC001593299071 994719513 /nfs/dbraw/zinc/71/95/13/994719513.db2.gz QDMGURUTBHKMTO-NSHDSACASA-N -1 1 348.830 3.511 20 0 EHADMM COc1cccc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1F ZINC001599674725 994877515 /nfs/dbraw/zinc/87/75/15/994877515.db2.gz YCOIJVWWPJPSRR-IBGZPJMESA-N -1 1 339.366 3.903 20 0 EHADMM C[C@@H](Oc1ccccc1CN(C)Cc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC001593646474 995984989 /nfs/dbraw/zinc/98/49/89/995984989.db2.gz XUSNOSYDZZGNAB-CQSZACIVSA-N -1 1 338.407 3.652 20 0 EHADMM C[C@H](c1ccccc1Cl)N(C[C@H]1[C@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001593712925 996216847 /nfs/dbraw/zinc/21/68/47/996216847.db2.gz HWZASPVKWMNWDU-LJWDBELGSA-N -1 1 329.774 3.831 20 0 EHADMM COc1ccc(C(=O)[O-])cc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC001599499144 997078780 /nfs/dbraw/zinc/07/87/80/997078780.db2.gz TYODCMAECDZFGQ-MFKMUULPSA-N -1 1 331.334 3.556 20 0 EHADMM COc1cc(Cl)ccc1[C@H](C)NCc1cccc(OCC(=O)[O-])c1 ZINC001599421549 997604027 /nfs/dbraw/zinc/60/40/27/997604027.db2.gz WYJWZYUUFWCRAL-LBPRGKRZSA-N -1 1 349.814 3.663 20 0 EHADMM CO[C@@H]1CCCC[C@H]1NCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001599322551 997607632 /nfs/dbraw/zinc/60/76/32/997607632.db2.gz QEYYODPRBHIQKK-HZPDHXFCSA-N -1 1 346.452 3.556 20 0 EHADMM COCC[C@H](NCc1cc(C(=O)[O-])c(C(C)C)[nH]1)c1ccc(C)o1 ZINC001599217522 997608635 /nfs/dbraw/zinc/60/86/35/997608635.db2.gz IRPSHVOAXHNVRU-HNNXBMFYSA-N -1 1 334.416 3.605 20 0 EHADMM Cc1cc(C=O)c([O-])c(C(=O)N(CCc2ccccc2)C(C)C)c1 ZINC001625852813 1016221233 /nfs/dbraw/zinc/22/12/33/1016221233.db2.gz QQIHYHVYKCMFRS-UHFFFAOYSA-N -1 1 325.408 3.606 20 0 EHADMM Cn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(-c2cccs2)n1 ZINC000182864171 1032143899 /nfs/dbraw/zinc/14/38/99/1032143899.db2.gz SINPBBQEKWYERD-UHFFFAOYSA-N -1 1 333.800 3.760 20 0 EHADMM C[C@H]1CC[C@](NCc2ccc(F)cc2F)(C(=O)[O-])c2ccccc21 ZINC001594319940 999229651 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EHADMM O=C(NCCc1ccccc1C(F)(F)F)c1c(F)ccc([O-])c1F ZINC000538314093 1032289542 /nfs/dbraw/zinc/28/95/42/1032289542.db2.gz VUQZLRHHRYYRKQ-UHFFFAOYSA-N -1 1 345.267 3.662 20 0 EHADMM CC(C)(CNC(=O)c1ccc(Br)c([O-])c1)C(C)(F)F ZINC000697315854 1032338077 /nfs/dbraw/zinc/33/80/77/1032338077.db2.gz ZTCKMMAWKJKCJS-UHFFFAOYSA-N -1 1 336.176 3.566 20 0 EHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000263045012 1032417145 /nfs/dbraw/zinc/41/71/45/1032417145.db2.gz JRRKTDUHCCEYDE-KOLCDFICSA-N -1 1 335.753 3.901 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cnc2ccsc2c1 ZINC000084460551 1032429515 /nfs/dbraw/zinc/42/95/15/1032429515.db2.gz VGMOKKZJQWKULB-UHFFFAOYSA-N -1 1 344.339 3.514 20 0 EHADMM CO[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1(C)C ZINC000584422374 1032499888 /nfs/dbraw/zinc/49/98/88/1032499888.db2.gz UWYLCJJVCRXCNJ-UONOGXRCSA-N -1 1 346.254 3.866 20 0 EHADMM O=C([N-]c1c(F)cc(F)cc1F)c1cnc([C@@H]2CCCO2)s1 ZINC000089819476 1032541909 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COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)c1 ZINC000123631336 1018387009 /nfs/dbraw/zinc/38/70/09/1018387009.db2.gz ZOHQDQMHXXFIAJ-UHFFFAOYSA-N -1 1 347.436 3.508 20 0 EHADMM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000576402669 1018941376 /nfs/dbraw/zinc/94/13/76/1018941376.db2.gz JSMMMBPCPLUUBX-DZGCQCFKSA-N -1 1 331.799 3.649 20 0 EHADMM CSC[C@H](C)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000556846338 1019083355 /nfs/dbraw/zinc/08/33/55/1019083355.db2.gz LNHFHBUHFDGUKV-LURJTMIESA-N -1 1 338.654 3.746 20 0 EHADMM COC(=O)c1[n-]c(=N[C@@H](C)c2cccc3ccccc32)sc1C ZINC000433623307 1019464844 /nfs/dbraw/zinc/46/48/44/1019464844.db2.gz GUVXFAPHHXOIHT-NSHDSACASA-N -1 1 326.421 3.986 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1Br ZINC000263461962 1020397708 /nfs/dbraw/zinc/39/77/08/1020397708.db2.gz BYHNWWPHOIUCHQ-KOLCDFICSA-N -1 1 346.652 3.788 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1cn[nH]c1-c1ccccc1 ZINC000345657123 1020430230 /nfs/dbraw/zinc/43/02/30/1020430230.db2.gz NWAGEPJWBNUFIB-UHFFFAOYSA-N -1 1 331.734 3.827 20 0 EHADMM C[C@@H]1CN(Cc2cc(Br)ccc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000581197180 1020509577 /nfs/dbraw/zinc/50/95/77/1020509577.db2.gz XCMDHLBLEXXUIQ-YMTOWFKASA-N -1 1 346.652 3.645 20 0 EHADMM O=S(=O)([N-]c1ccccc1-c1cn[nH]c1)c1ccc(C(F)F)cc1 ZINC000340980809 1020746108 /nfs/dbraw/zinc/74/61/08/1020746108.db2.gz YPZWCRZRIWMCOW-UHFFFAOYSA-N -1 1 349.362 3.815 20 0 EHADMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2coc(C3CC3)n2)s1 ZINC000684239783 1020848629 /nfs/dbraw/zinc/84/86/29/1020848629.db2.gz XCHNOKNXTWJPSC-UHFFFAOYSA-N -1 1 344.371 3.770 20 0 EHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000341017980 1020864037 /nfs/dbraw/zinc/86/40/37/1020864037.db2.gz ACLBIDKDRBVINL-PLNGDYQASA-N -1 1 344.436 3.503 20 0 EHADMM CCCOc1ccc(CNCc2ccc(C(=O)[O-])c(CC)n2)c(C)c1 ZINC000656565714 1020924129 /nfs/dbraw/zinc/92/41/29/1020924129.db2.gz RPWFMZAQPZBPGX-UHFFFAOYSA-N -1 1 342.439 3.729 20 0 EHADMM O=C([O-])[C@H]1C[C@@H](NCc2cccc(OC3CC3)c2F)c2ccccc21 ZINC000656566553 1020934193 /nfs/dbraw/zinc/93/41/93/1020934193.db2.gz OETZYDRSWHTGNH-DLBZAZTESA-N -1 1 341.382 3.770 20 0 EHADMM COc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1Cl ZINC000436764610 1021212877 /nfs/dbraw/zinc/21/28/77/1021212877.db2.gz MNQWNEMQURYXSE-UHFFFAOYSA-N -1 1 342.178 3.969 20 0 EHADMM CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436804278 1021251168 /nfs/dbraw/zinc/25/11/68/1021251168.db2.gz BLURCFHAKABEOL-IBGZPJMESA-N -1 1 349.430 3.959 20 0 EHADMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1OC ZINC000436814424 1021260115 /nfs/dbraw/zinc/26/01/15/1021260115.db2.gz LBCDTSBXCQNROI-NSHDSACASA-N -1 1 349.814 3.862 20 0 EHADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1noc(-c2ccccc2)n1 ZINC000436865692 1021302580 /nfs/dbraw/zinc/30/25/80/1021302580.db2.gz STRKYWYDYIPATG-SNVBAGLBSA-N -1 1 343.770 3.587 20 0 EHADMM COc1cccc(CCc2nc(-c3ccc([O-])cc3F)no2)c1F ZINC000436876915 1021323994 /nfs/dbraw/zinc/32/39/94/1021323994.db2.gz CJKPAVYMEHZORU-UHFFFAOYSA-N -1 1 332.306 3.514 20 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HXZWQJCEGYLUQU-MRXNPFEDSA-N -1 1 328.387 3.856 20 0 EHADMM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1c([O-])cccc1F ZINC000436992457 1021447030 /nfs/dbraw/zinc/44/70/30/1021447030.db2.gz YWDZORCYYNBNTN-CQSZACIVSA-N -1 1 341.304 3.825 20 0 EHADMM CC1(C(=O)[O-])CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000390946927 1021574718 /nfs/dbraw/zinc/57/47/18/1021574718.db2.gz USHCGHKISVCHNW-UHFFFAOYSA-N -1 1 334.803 3.682 20 0 EHADMM CCc1cc(=O)[n-]c(SCc2cc(Br)ccc2F)n1 ZINC000188106878 1021821050 /nfs/dbraw/zinc/82/10/50/1021821050.db2.gz AMBGKMNVJWKRSF-UHFFFAOYSA-N -1 1 343.221 3.526 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C ZINC000520018084 1021866502 /nfs/dbraw/zinc/86/65/02/1021866502.db2.gz HCABBSYRNAAQQI-UHFFFAOYSA-N -1 1 348.449 3.804 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c1 ZINC000080938428 1021870438 /nfs/dbraw/zinc/87/04/38/1021870438.db2.gz ZYICQCINXJMAMB-UHFFFAOYSA-N -1 1 346.452 3.644 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2C1 ZINC000171346178 1033020620 /nfs/dbraw/zinc/02/06/20/1033020620.db2.gz DSHAMUCBWLWQNQ-UHFFFAOYSA-N -1 1 330.453 3.521 20 0 EHADMM CC(C)Oc1ccc(Cl)c(-c2nc3ccc(F)cc3c(=O)[n-]2)n1 ZINC000140316195 1033022873 /nfs/dbraw/zinc/02/28/73/1033022873.db2.gz MWKZQEBZICJNFX-UHFFFAOYSA-N -1 1 333.750 3.565 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000073632144 1022156506 /nfs/dbraw/zinc/15/65/06/1022156506.db2.gz RGQGZHDXCKYPCU-UHFFFAOYSA-N -1 1 346.235 3.941 20 0 EHADMM O=C([N-]c1nnc(C(F)F)s1)c1ncsc1-c1ccccc1 ZINC000438039109 1022343531 /nfs/dbraw/zinc/34/35/31/1022343531.db2.gz WHBMWOUDQHTMDY-UHFFFAOYSA-N -1 1 338.364 3.852 20 0 EHADMM O=S(=O)([N-]C1CCCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000048664379 1022377727 /nfs/dbraw/zinc/37/77/27/1022377727.db2.gz AVONRKXXLXIMIC-UHFFFAOYSA-N -1 1 328.648 3.868 20 0 EHADMM O=S(=O)([N-]CC1(C2CC2)CC1)c1ccc(Cl)c(F)c1Cl ZINC000473952440 1022381303 /nfs/dbraw/zinc/38/13/03/1022381303.db2.gz OAUNSYTWLROPDZ-UHFFFAOYSA-N -1 1 338.231 3.601 20 0 EHADMM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cccc(C2CC2)n1 ZINC000581925308 1022408281 /nfs/dbraw/zinc/40/82/81/1022408281.db2.gz YNBKYRMZNASYSS-UHFFFAOYSA-N -1 1 340.807 3.693 20 0 EHADMM CCCc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000007055804 1022530462 /nfs/dbraw/zinc/53/04/62/1022530462.db2.gz JHOUTBHULPIXPV-UHFFFAOYSA-N -1 1 334.397 3.657 20 0 EHADMM CCSc1nccnc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000430810667 1022706649 /nfs/dbraw/zinc/70/66/49/1022706649.db2.gz MJTXWKBWJKOSBP-UHFFFAOYSA-N -1 1 329.759 3.773 20 0 EHADMM CCOc1cc(-c2noc(C3(OCC)CCC3)n2)cc(Cl)c1[O-] ZINC000664845682 1022916548 /nfs/dbraw/zinc/91/65/48/1022916548.db2.gz ODGRMRFJFAOCCT-UHFFFAOYSA-N -1 1 338.791 3.910 20 0 EHADMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CC[C@H]1c1ccccc1 ZINC000518008315 1022916813 /nfs/dbraw/zinc/91/68/13/1022916813.db2.gz VRHXZJMHXJKVJZ-GXTWGEPZSA-N -1 1 331.362 3.936 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000438711135 1022941454 /nfs/dbraw/zinc/94/14/54/1022941454.db2.gz 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ZINC000427118113 1023228787 /nfs/dbraw/zinc/22/87/87/1023228787.db2.gz SVYLXQKSMWUVQD-UHFFFAOYSA-N -1 1 346.433 3.608 20 0 EHADMM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000439055765 1023244967 /nfs/dbraw/zinc/24/49/67/1023244967.db2.gz IKXWGLIKOLHHLE-SUMWQHHRSA-N -1 1 345.826 3.943 20 0 EHADMM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000439063851 1023254207 /nfs/dbraw/zinc/25/42/07/1023254207.db2.gz CDHTVMKGLCCYKD-UHFFFAOYSA-N -1 1 339.438 3.679 20 0 EHADMM COC(=O)c1cc(C(=O)[N-]c2ccccc2SC2CCCC2)no1 ZINC000341799079 1023334853 /nfs/dbraw/zinc/33/48/53/1023334853.db2.gz BKWUGISUJISWJO-UHFFFAOYSA-N -1 1 346.408 3.748 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Br)s1 ZINC000132488303 1023414726 /nfs/dbraw/zinc/41/47/26/1023414726.db2.gz VWNMWPJJOLKJKF-UHFFFAOYSA-N -1 1 346.271 3.928 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c(C)c1O ZINC000780374718 1023529504 /nfs/dbraw/zinc/52/95/04/1023529504.db2.gz CGMJIXMHCBFAQB-UHFFFAOYSA-N -1 1 327.352 3.747 20 0 EHADMM COc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1OC ZINC000277111691 1023771110 /nfs/dbraw/zinc/77/11/10/1023771110.db2.gz AKOVLRJTDKEEIB-INIZCTEOSA-N -1 1 349.814 3.581 20 0 EHADMM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1[O-] ZINC000097008617 1023903660 /nfs/dbraw/zinc/90/36/60/1023903660.db2.gz GFUILXKEGIDWFH-UHFFFAOYSA-N -1 1 338.407 3.661 20 0 EHADMM CCOc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc1C ZINC000388988916 1024050306 /nfs/dbraw/zinc/05/03/06/1024050306.db2.gz GQGNZOUKVXIEAC-UHFFFAOYSA-N -1 1 340.832 3.551 20 0 EHADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])c(OC[C@H]2CCCO2)c1 ZINC000094040024 1024163655 /nfs/dbraw/zinc/16/36/55/1024163655.db2.gz UESYHYOEMJSDQJ-CQSZACIVSA-N -1 1 345.370 3.650 20 0 EHADMM O=C([O-])[C@@H](CC1CC1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000417623152 1024195801 /nfs/dbraw/zinc/19/58/01/1024195801.db2.gz MVDNJHDVRXXVGZ-CQSZACIVSA-N -1 1 342.420 3.899 20 0 EHADMM COc1ccc(N(C(=O)c2cc(F)ccc2[O-])[C@@H](C)C2CC2)cc1 ZINC000094076746 1024200998 /nfs/dbraw/zinc/20/09/98/1024200998.db2.gz QZIRBLNBIVRJAX-LBPRGKRZSA-N -1 1 329.371 3.985 20 0 EHADMM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000094156079 1024233178 /nfs/dbraw/zinc/23/31/78/1024233178.db2.gz RGLMXAFKVBSLJD-KRWDZBQOSA-N -1 1 328.387 3.575 20 0 EHADMM O=S(=O)([N-]c1ccc(Cl)c(Br)c1)c1ccccc1 ZINC000094671026 1024326057 /nfs/dbraw/zinc/32/60/57/1024326057.db2.gz NPNAAOYUQMEQMP-UHFFFAOYSA-N -1 1 346.633 3.903 20 0 EHADMM Cc1ccoc1CN[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000277272910 1024394028 /nfs/dbraw/zinc/39/40/28/1024394028.db2.gz LLJDXWGYTNIAQE-CYBMUJFWSA-N -1 1 338.201 3.656 20 0 EHADMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000280956323 1024486271 /nfs/dbraw/zinc/48/62/71/1024486271.db2.gz JFPRGJZMVVLTQT-GFCCVEGCSA-N -1 1 346.452 3.683 20 0 EHADMM CC[C@@H]1CC[C@@H](C)N(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000664472187 1024643377 /nfs/dbraw/zinc/64/33/77/1024643377.db2.gz JSBKZZFCPFZRTA-IUODEOHRSA-N -1 1 326.444 3.876 20 0 EHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1 ZINC000435184928 1024684463 /nfs/dbraw/zinc/68/44/63/1024684463.db2.gz UIXOXPVEUKOBQK-CYBMUJFWSA-N -1 1 343.452 3.888 20 0 EHADMM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000092122134 1024914801 /nfs/dbraw/zinc/91/48/01/1024914801.db2.gz RKWABSSURZAITC-UHFFFAOYSA-N -1 1 331.343 3.739 20 0 EHADMM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cn1 ZINC000157535418 1024944838 /nfs/dbraw/zinc/94/48/38/1024944838.db2.gz AETDZRBTMHFFRX-UHFFFAOYSA-N -1 1 334.228 3.572 20 0 EHADMM [O-]c1cccc(CN(Cc2cc[nH]n2)Cc2ccccc2)c1Cl ZINC000508204498 1024961242 /nfs/dbraw/zinc/96/12/42/1024961242.db2.gz KQIOPTMRVYYBTK-UHFFFAOYSA-N -1 1 327.815 3.971 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)ccc1F ZINC000474435232 1024969244 /nfs/dbraw/zinc/96/92/44/1024969244.db2.gz SLXDACFYPKGJEZ-UHFFFAOYSA-N -1 1 337.420 3.706 20 0 EHADMM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(-c3ccccc3)no2)c1 ZINC000033164900 1025092414 /nfs/dbraw/zinc/09/24/14/1025092414.db2.gz SKDBZJIWOQWWCO-UHFFFAOYSA-N -1 1 340.310 3.520 20 0 EHADMM CCc1cc(=O)[n-]c(SCC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000629175672 1025173862 /nfs/dbraw/zinc/17/38/62/1025173862.db2.gz PMMOFPVAMIOLNY-UWVGGRQHSA-N -1 1 348.390 3.775 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C ZINC000435929058 1025225621 /nfs/dbraw/zinc/22/56/21/1025225621.db2.gz HYIHYUPHYXUSDA-SCRDCRAPSA-N -1 1 333.476 3.590 20 0 EHADMM CCOc1cc(-c2noc(/C=C\[C@H]3CCOC3)n2)cc(Cl)c1[O-] ZINC000515462383 1025258923 /nfs/dbraw/zinc/25/89/23/1025258923.db2.gz HUJHFQQHXGFAGF-XOULXFPDSA-N -1 1 336.775 3.544 20 0 EHADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000511279532 1033272628 /nfs/dbraw/zinc/27/26/28/1033272628.db2.gz ITIFCRCJESRAAB-UHFFFAOYSA-N -1 1 349.452 3.983 20 0 EHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccccc2SC)[nH]n1 ZINC000436020135 1025319260 /nfs/dbraw/zinc/31/92/60/1025319260.db2.gz JERPMGDALPTBPX-NSHDSACASA-N -1 1 339.486 3.836 20 0 EHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(OC)cc1 ZINC000442649887 1025409445 /nfs/dbraw/zinc/40/94/45/1025409445.db2.gz KZOWKVIHWMJJPG-UHFFFAOYSA-N -1 1 335.787 3.730 20 0 EHADMM Cc1cscc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000342434865 1025456783 /nfs/dbraw/zinc/45/67/83/1025456783.db2.gz JYHGVPDWEPBICV-UHFFFAOYSA-N -1 1 333.381 3.501 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1CCCC[C@H]1C ZINC000474811178 1025491531 /nfs/dbraw/zinc/49/15/31/1025491531.db2.gz NHQHUHHOBKNIDC-OCCSQVGLSA-N -1 1 333.476 3.734 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)c1 ZINC000451078462 1025500657 /nfs/dbraw/zinc/50/06/57/1025500657.db2.gz FZVFLSGOKKOKBA-UHFFFAOYSA-N -1 1 331.437 3.513 20 0 EHADMM O=C([N-]c1cc(F)cc(Br)c1F)c1cc(C2CC2)no1 ZINC000347117404 1025532075 /nfs/dbraw/zinc/53/20/75/1025532075.db2.gz UFFSLTKVASNONS-UHFFFAOYSA-N -1 1 343.127 3.845 20 0 EHADMM COc1cccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1OC ZINC000277510161 1025541930 /nfs/dbraw/zinc/54/19/30/1025541930.db2.gz YDWRVKKWSWAOBW-OAHLLOKOSA-N -1 1 349.814 3.663 20 0 EHADMM COc1cc(C(=O)NCCCc2cccc(F)c2)cc(Cl)c1[O-] ZINC000442973379 1025633599 /nfs/dbraw/zinc/63/35/99/1025633599.db2.gz FCXXHZIXZLQXTF-UHFFFAOYSA-N -1 1 337.778 3.556 20 0 EHADMM CSCCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451214899 1025685846 /nfs/dbraw/zinc/68/58/46/1025685846.db2.gz JEKGEIFUOQANQE-UHFFFAOYSA-N -1 1 335.903 3.586 20 0 EHADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)c1cccnc1 ZINC000451299969 1025787686 /nfs/dbraw/zinc/78/76/86/1025787686.db2.gz KYOWSNRQCOJSJM-GFCCVEGCSA-N -1 1 344.889 3.515 20 0 EHADMM CC(C)(C)Oc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)nc1 ZINC000436520820 1025821261 /nfs/dbraw/zinc/82/12/61/1025821261.db2.gz JMAZCZVNXBBPRT-UHFFFAOYSA-N -1 1 329.331 3.821 20 0 EHADMM COc1cc(-c2nc(-c3nccc4[nH]ccc43)no2)cc(Cl)c1[O-] ZINC000436521860 1025822203 /nfs/dbraw/zinc/82/22/03/1025822203.db2.gz PESKKVDFTPESRD-UHFFFAOYSA-N -1 1 342.742 3.648 20 0 EHADMM O=C(Nc1ccc(NC(=O)c2ccccc2[O-])cc1)c1cccs1 ZINC000436533477 1025840163 /nfs/dbraw/zinc/84/01/63/1025840163.db2.gz 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1033640383 /nfs/dbraw/zinc/64/03/83/1033640383.db2.gz QRGGPDGNONULBX-UHFFFAOYSA-N -1 1 339.370 3.645 20 0 EHADMM O=C(CCCOc1ccc(F)cc1F)Nc1c([O-])cccc1F ZINC000608367464 1033642971 /nfs/dbraw/zinc/64/29/71/1033642971.db2.gz ZQJCAYMVGIAJOS-UHFFFAOYSA-N -1 1 325.286 3.607 20 0 EHADMM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431626044 1033775873 /nfs/dbraw/zinc/77/58/73/1033775873.db2.gz SHTJMWFYKVHZRC-INIZCTEOSA-N -1 1 339.407 3.729 20 0 EHADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000108639177 1033828087 /nfs/dbraw/zinc/82/80/87/1033828087.db2.gz KLBZAFXQSXREGR-UHFFFAOYSA-N -1 1 347.827 3.541 20 0 EHADMM [O-]c1ccc(-c2noc(COc3ccc(F)cc3F)n2)c(Cl)c1 ZINC000445446037 1033899401 /nfs/dbraw/zinc/89/94/01/1033899401.db2.gz KUBWDCQCYJRTLF-UHFFFAOYSA-N -1 1 338.697 3.953 20 0 EHADMM CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538849 1034143483 /nfs/dbraw/zinc/14/34/83/1034143483.db2.gz LMYOEPHDRHNDTJ-QFYYESIMSA-N -1 1 348.830 3.688 20 0 EHADMM CON1CCC(CC(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000529539775 1034146624 /nfs/dbraw/zinc/14/66/24/1034146624.db2.gz UBRVZNKKBZRZAE-UHFFFAOYSA-N -1 1 348.830 3.801 20 0 EHADMM CC(=O)c1[n-]c(=N[C@H](C)c2cccc(N3CCCC3)c2)sc1C ZINC000450374118 1034201961 /nfs/dbraw/zinc/20/19/61/1034201961.db2.gz BOXAXXRFRIEYDS-GFCCVEGCSA-N -1 1 329.469 3.849 20 0 EHADMM CC(C)c1ccc2nc(-c3ccc(N4CCCC4=O)cc3)[n-]c(=O)c2c1 ZINC000057771651 1034236949 /nfs/dbraw/zinc/23/69/49/1034236949.db2.gz QIMSRAKOKXKIJU-UHFFFAOYSA-N -1 1 347.418 3.840 20 0 EHADMM COc1cc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000456305775 1034307361 /nfs/dbraw/zinc/30/73/61/1034307361.db2.gz XHENEQMCFHQBGD-IUODEOHRSA-N -1 1 325.836 3.807 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2O)cc1C(C)C ZINC000193446649 1034432066 /nfs/dbraw/zinc/43/20/66/1034432066.db2.gz ZVSJANZNPKRMCS-UHFFFAOYSA-N -1 1 349.452 3.942 20 0 EHADMM O=C(C[C@H]1CCc2ccccc21)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000604600742 1034442653 /nfs/dbraw/zinc/44/26/53/1034442653.db2.gz CQPGWIDLNZICIX-OAHLLOKOSA-N -1 1 333.391 3.841 20 0 EHADMM COc1cccc([C@H]2CN(C(=O)c3ccc([O-])c(F)c3)CC2(C)C)c1 ZINC000529727719 1034494517 /nfs/dbraw/zinc/49/45/17/1034494517.db2.gz JCLYNXDOZMKQLI-MRXNPFEDSA-N -1 1 343.398 3.806 20 0 EHADMM CCSCc1ccnc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC000601391673 1034501061 /nfs/dbraw/zinc/50/10/61/1034501061.db2.gz UDAYIIBFLXQXCG-UHFFFAOYSA-N -1 1 336.844 3.875 20 0 EHADMM Cc1cc(C(=O)CCC(=O)Nc2ccc([O-])c(F)c2F)c(C)s1 ZINC000456792175 1034735445 /nfs/dbraw/zinc/73/54/45/1034735445.db2.gz HAFXYWIKAXKQMD-UHFFFAOYSA-N -1 1 339.363 3.950 20 0 EHADMM CCOc1ccc(C(=O)CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605439230 1034736772 /nfs/dbraw/zinc/73/67/72/1034736772.db2.gz GDDHNKWRUAEFRJ-UHFFFAOYSA-N -1 1 331.343 3.532 20 0 EHADMM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000529944207 1034808579 /nfs/dbraw/zinc/80/85/79/1034808579.db2.gz MTLIKGXUZVEOHM-QGZVFWFLSA-N -1 1 341.382 3.509 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)sc1Cl ZINC000511349884 1034913533 /nfs/dbraw/zinc/91/35/33/1034913533.db2.gz HUMHEQAFLAKKCA-UHFFFAOYSA-N -1 1 347.811 3.721 20 0 EHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000450970534 1034997291 /nfs/dbraw/zinc/99/72/91/1034997291.db2.gz NIHCSNLEXKFPAS-UHFFFAOYSA-N -1 1 346.452 3.644 20 0 EHADMM CCc1cccc(OCCN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC000530169785 1035018358 /nfs/dbraw/zinc/01/83/58/1035018358.db2.gz UPZDUYCXKPXCIW-UHFFFAOYSA-N -1 1 343.398 3.523 20 0 EHADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cccc2cccnc21 ZINC000255872428 1035251420 /nfs/dbraw/zinc/25/14/20/1035251420.db2.gz MEGJCCDUHKTCGA-BENRWUELSA-N -1 1 328.368 3.787 20 0 EHADMM CCOc1cc(C(=O)NC[C@@H](C)CC(F)(F)F)cc(Cl)c1[O-] ZINC000413982770 1035321533 /nfs/dbraw/zinc/32/15/33/1035321533.db2.gz KMFRJOSYJLVXML-QMMMGPOBSA-N -1 1 339.741 3.763 20 0 EHADMM CCNC(=O)c1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000613357671 1035641271 /nfs/dbraw/zinc/64/12/71/1035641271.db2.gz AODQKZHFNNKJLG-UHFFFAOYSA-N -1 1 326.396 3.518 20 0 EHADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613365351 1035666337 /nfs/dbraw/zinc/66/63/37/1035666337.db2.gz XDSLVQCSIZSLHZ-PWSUYJOCSA-N -1 1 338.329 3.743 20 0 EHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000006316942 1035684060 /nfs/dbraw/zinc/68/40/60/1035684060.db2.gz HKHMSYVNJINNOC-UHFFFAOYSA-N -1 1 331.437 3.924 20 0 EHADMM Cc1cccc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000457077813 1035723330 /nfs/dbraw/zinc/72/33/30/1035723330.db2.gz KXDLMJPIZUVRKB-LBPRGKRZSA-N -1 1 327.428 3.588 20 0 EHADMM C[C@H]1C[C@H](NC(=O)c2ccc(Br)c([O-])c2)C[C@@H](C)C1 ZINC000300409505 1035774163 /nfs/dbraw/zinc/77/41/63/1035774163.db2.gz APDFQXRYQSSMFS-IAZYJMLFSA-N -1 1 326.234 3.709 20 0 EHADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000188124595 1035901204 /nfs/dbraw/zinc/90/12/04/1035901204.db2.gz BTAYPUVWORILPP-LLVKDONJSA-N -1 1 327.409 3.841 20 0 EHADMM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1ccccc1 ZINC000475795513 1036039857 /nfs/dbraw/zinc/03/98/57/1036039857.db2.gz WEFGAGPIVAZIHW-UHFFFAOYSA-N -1 1 348.321 3.601 20 0 EHADMM Cc1ccccc1C[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000174692507 1036061895 /nfs/dbraw/zinc/06/18/95/1036061895.db2.gz ZOQYNNQOHGCUKG-CQSZACIVSA-N -1 1 348.450 3.800 20 0 EHADMM CN(CCc1cccs1)C(=O)c1cc(Br)ccc1[O-] ZINC000174729341 1036075802 /nfs/dbraw/zinc/07/58/02/1036075802.db2.gz AFKOARHUCCHKAW-UHFFFAOYSA-N -1 1 340.242 3.531 20 0 EHADMM CC(C)n1c(CNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)n[n-]c1=S ZINC000066638971 1036102860 /nfs/dbraw/zinc/10/28/60/1036102860.db2.gz XEGHJJSCRTWQFI-QWHCGFSZSA-N -1 1 338.521 3.990 20 0 EHADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C)ccc1C ZINC000588835000 1036132549 /nfs/dbraw/zinc/13/25/49/1036132549.db2.gz AATYLEJIAGLOMB-UHFFFAOYSA-N -1 1 346.452 3.707 20 0 EHADMM CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263122937 1036209111 /nfs/dbraw/zinc/20/91/11/1036209111.db2.gz MFPWKJPEPXRSRE-CVEARBPZSA-N -1 1 346.471 3.715 20 0 EHADMM COCCOc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190932488 1036306110 /nfs/dbraw/zinc/30/61/10/1036306110.db2.gz CFIBODXHLFQOEM-UHFFFAOYSA-N -1 1 336.775 3.715 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccccc1-n1cccn1 ZINC000190937620 1036307651 /nfs/dbraw/zinc/30/76/51/1036307651.db2.gz IJMKZZUOPISZDF-UHFFFAOYSA-N -1 1 328.759 3.875 20 0 EHADMM CCc1nc(SCC(=O)Nc2ccccc2C(C)C)[n-]c(=O)c1C ZINC000572782127 1036497228 /nfs/dbraw/zinc/49/72/28/1036497228.db2.gz LFFYTYHYXZJLHP-UHFFFAOYSA-N -1 1 345.468 3.907 20 0 EHADMM COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)c([O-])c1 ZINC000301995757 1036522968 /nfs/dbraw/zinc/52/29/68/1036522968.db2.gz JRTVMKBWRKLYPH-UHFFFAOYSA-N -1 1 332.406 3.838 20 0 EHADMM O=S(=O)([N-]C1(Cc2ccccc2)CCC1)c1ccc(C(F)F)o1 ZINC000866964792 1036808007 /nfs/dbraw/zinc/80/80/07/1036808007.db2.gz VYOKFLKDAWNTSC-UHFFFAOYSA-N -1 1 341.379 3.661 20 0 EHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000176457321 1036967614 /nfs/dbraw/zinc/96/76/14/1036967614.db2.gz XWKLHWBPCZEGNO-UHFFFAOYSA-N -1 1 328.393 3.705 20 0 EHADMM CN(C)c1ccccc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000539630532 1037008160 /nfs/dbraw/zinc/00/81/60/1037008160.db2.gz XGYNDHOQCAWOES-UHFFFAOYSA-N -1 1 329.347 3.559 20 0 EHADMM O=C(Nc1cnn(-c2ccccc2)c1)c1cc2ccccc2cc1[O-] ZINC000303039741 1037036802 /nfs/dbraw/zinc/03/68/02/1037036802.db2.gz POKSXPQNXDNAHL-UHFFFAOYSA-N -1 1 329.359 3.983 20 0 EHADMM Cc1nc(NC(=O)c2sc3cccc(Cl)c3c2Cl)n[nH]1 ZINC000590833549 1037072827 /nfs/dbraw/zinc/07/28/27/1037072827.db2.gz MCXKHFRZFVDNRZ-UHFFFAOYSA-N -1 1 327.196 3.887 20 0 EHADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cscc1Cl ZINC000636439573 1037147329 /nfs/dbraw/zinc/14/73/29/1037147329.db2.gz PETKVONYGKOVIH-UHFFFAOYSA-N -1 1 348.815 3.519 20 0 EHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000539844905 1037274341 /nfs/dbraw/zinc/27/43/41/1037274341.db2.gz SZURIDQHUZHBDL-CQSZACIVSA-N -1 1 347.212 3.527 20 0 EHADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)ccc12 ZINC000539854822 1037283083 /nfs/dbraw/zinc/28/30/83/1037283083.db2.gz SMXJFTXVSYMJKF-UHFFFAOYSA-N -1 1 335.816 3.634 20 0 EHADMM CC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)Cc2ccccc2C1 ZINC000539860934 1037292323 /nfs/dbraw/zinc/29/23/23/1037292323.db2.gz RBIRQPDABYBKSJ-UHFFFAOYSA-N -1 1 341.432 3.516 20 0 EHADMM CCOC(=O)c1nc(NC(=O)c2cccc(C3CCC3)c2)[n-]c1Cl ZINC001626429623 1037385449 /nfs/dbraw/zinc/38/54/49/1037385449.db2.gz HFTJRRJTAGNYCF-UHFFFAOYSA-N -1 1 347.802 3.760 20 0 EHADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1 ZINC000540216170 1037698247 /nfs/dbraw/zinc/69/82/47/1037698247.db2.gz ICLMKULBBKHDDN-UHFFFAOYSA-N -1 1 342.420 3.823 20 0 EHADMM CCOc1cc(C(=O)NCC[C@@H]2CCCC2(F)F)cc(Cl)c1[O-] ZINC000914421943 1037824321 /nfs/dbraw/zinc/82/43/21/1037824321.db2.gz IGKALVWKSHPTSO-NSHDSACASA-N -1 1 347.789 4.000 20 0 EHADMM CCOc1cc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)ccc1O ZINC000182869478 1037918038 /nfs/dbraw/zinc/91/80/38/1037918038.db2.gz LHYDSARYRXRTOE-XBXARRHUSA-N -1 1 333.771 3.802 20 0 EHADMM CCCCO[C@@H](C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182921645 1037922503 /nfs/dbraw/zinc/92/25/03/1037922503.db2.gz ZDLVCAZDFFHCNZ-JTQLQIEISA-N -1 1 330.222 3.607 20 0 EHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000532620671 1037942397 /nfs/dbraw/zinc/94/23/97/1037942397.db2.gz FRQXVIFZXFTKLO-UHFFFAOYSA-N -1 1 329.249 3.725 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000339131580 1038411185 /nfs/dbraw/zinc/41/11/85/1038411185.db2.gz CRIJNBAHZIVWDC-HOTGVXAUSA-N -1 1 337.354 3.664 20 0 EHADMM CCC1(CC)CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000228303967 1038503946 /nfs/dbraw/zinc/50/39/46/1038503946.db2.gz HNBVHLKFBFMCHH-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM CC(C)(C)c1nc(CC(=O)Nc2cc(F)cc(F)c2[O-])cs1 ZINC000910984741 1039179074 /nfs/dbraw/zinc/17/90/74/1039179074.db2.gz ULSOCLKSNDQNDK-UHFFFAOYSA-N -1 1 326.368 3.606 20 0 EHADMM CCCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000432788941 1039181816 /nfs/dbraw/zinc/18/18/16/1039181816.db2.gz NXGRBVHDTUMMLG-UHFFFAOYSA-N -1 1 337.011 3.656 20 0 EHADMM CCOc1cc(C(=O)N2CC(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000364032758 1039450808 /nfs/dbraw/zinc/45/08/08/1039450808.db2.gz SLGAIBLAQRNJBL-UHFFFAOYSA-N -1 1 345.826 3.759 20 0 EHADMM O=C([O-])c1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1Cl ZINC000584726507 1039626932 /nfs/dbraw/zinc/62/69/32/1039626932.db2.gz ZHTSTCUOKHSSQN-CABCVRRESA-N -1 1 325.861 3.898 20 0 EHADMM Cc1nc(-c2ccc(N3CC[C@H](C(C)(C)C)C3)nc2)[n-]c(=O)c1C ZINC000554739321 1039656049 /nfs/dbraw/zinc/65/60/49/1039656049.db2.gz RMJKZQHRUDXLBT-HNNXBMFYSA-N -1 1 326.444 3.733 20 0 EHADMM Cc1cc(Br)ccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000489153667 1039683656 /nfs/dbraw/zinc/68/36/56/1039683656.db2.gz NUDLYRBWDCFAFK-UHFFFAOYSA-N -1 1 338.176 3.783 20 0 EHADMM CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[O-])C(F)(F)F ZINC000554803868 1039733707 /nfs/dbraw/zinc/73/37/07/1039733707.db2.gz 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333.819 3.906 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc2oc(=O)[nH]c2cc1F ZINC001626012079 1120517508 /nfs/dbraw/zinc/51/75/08/1120517508.db2.gz XCKSRQXARPXHEL-UHFFFAOYSA-N -1 1 337.694 3.676 20 0 EHADMM CCOC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190936161 1120655369 /nfs/dbraw/zinc/65/53/69/1120655369.db2.gz CYMJLVDGMBBYJO-UHFFFAOYSA-N -1 1 334.759 3.866 20 0 EHADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000191887811 1120700717 /nfs/dbraw/zinc/70/07/17/1120700717.db2.gz MDYDTNPVJAURKD-UHFFFAOYSA-N -1 1 347.480 3.875 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(O)c2)c([O-])c1 ZINC000494658934 1120714000 /nfs/dbraw/zinc/71/40/00/1120714000.db2.gz KBWCUALPIJXIMN-UHFFFAOYSA-N -1 1 344.367 3.697 20 0 EHADMM CS[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000227355340 1120877548 /nfs/dbraw/zinc/87/75/48/1120877548.db2.gz PHMURVKOMLEAHR-GHMZBOCLSA-N -1 1 344.274 3.559 20 0 EHADMM COc1cc(CNC(=O)c2ccc(Cl)cc2[O-])ccc1OC(C)C ZINC000914841985 1120999226 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/nfs/dbraw/zinc/39/73/17/1123397317.db2.gz QHAUGXYZZXVODY-SUNKGSAMSA-N -1 1 338.245 3.948 20 0 EHADMM COc1ccc(-c2nnc([N-]C(=O)c3c(F)cccc3F)s2)cc1 ZINC000136335324 1123687716 /nfs/dbraw/zinc/68/77/16/1123687716.db2.gz OHXRYMLQBNIBQZ-UHFFFAOYSA-N -1 1 347.346 3.744 20 0 EHADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000080311040 1123751017 /nfs/dbraw/zinc/75/10/17/1123751017.db2.gz RJQPYUWZGPCPEA-UHFFFAOYSA-N -1 1 349.452 3.520 20 0 EHADMM O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc([O-])c1Cl ZINC000263532251 1124014695 /nfs/dbraw/zinc/01/46/95/1124014695.db2.gz XFWSBANTIVXKEF-HNNXBMFYSA-N -1 1 333.815 3.611 20 0 EHADMM O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1ccc([O-])c(F)c1 ZINC000616883386 1124050509 /nfs/dbraw/zinc/05/05/09/1124050509.db2.gz IGJRCDLDMAUPMF-SFHVURJKSA-N -1 1 343.398 3.555 20 0 EHADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2NC(C)=O)cc1 ZINC000068077243 1129340137 /nfs/dbraw/zinc/34/01/37/1129340137.db2.gz AHZPCILNGSBYTI-UHFFFAOYSA-N -1 1 346.452 3.707 20 0 EHADMM Cc1nc(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)co1 ZINC000673435059 1129395824 /nfs/dbraw/zinc/39/58/24/1129395824.db2.gz ZETNOVMORKQDRK-UHFFFAOYSA-N -1 1 336.303 3.806 20 0 EHADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000673885190 1129895845 /nfs/dbraw/zinc/89/58/45/1129895845.db2.gz SNDIMQVLCFKNKG-UHFFFAOYSA-N -1 1 349.305 3.659 20 0 EHADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000171865770 1130094968 /nfs/dbraw/zinc/09/49/68/1130094968.db2.gz QHRDZMBVAHMNKA-LLVKDONJSA-N -1 1 339.420 3.710 20 0 EHADMM CSc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccn1 ZINC000675152827 1130265171 /nfs/dbraw/zinc/26/51/71/1130265171.db2.gz QHPZDZDHONJOEA-UHFFFAOYSA-N -1 1 330.381 3.542 20 0 EHADMM Cc1nc(Br)ccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001212563540 1130392809 /nfs/dbraw/zinc/39/28/09/1130392809.db2.gz ZIPUDHODBLNSRP-UHFFFAOYSA-N -1 1 347.168 3.708 20 0 EHADMM Cc1nc(Br)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001212566823 1130408698 /nfs/dbraw/zinc/40/86/98/1130408698.db2.gz PTAURXCVBBEFFT-UHFFFAOYSA-N -1 1 345.200 3.787 20 0 EHADMM CCCCC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000728060298 1130618437 /nfs/dbraw/zinc/61/84/37/1130618437.db2.gz GMBWZOIMPULBDF-MRXNPFEDSA-N -1 1 336.457 3.891 20 0 EHADMM C[C@@H]1C[C@H](c2ccccc2)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000285501584 1130624592 /nfs/dbraw/zinc/62/45/92/1130624592.db2.gz CWDHDHHIIABOGF-IUODEOHRSA-N -1 1 325.437 3.980 20 0 EHADMM COc1cc(COC(=O)c2c([O-])cc(F)cc2F)ccc1SC ZINC000731718595 1130834153 /nfs/dbraw/zinc/83/41/53/1130834153.db2.gz QOZZPJYVXSBJPS-UHFFFAOYSA-N -1 1 340.347 3.758 20 0 EHADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC000732216058 1130898999 /nfs/dbraw/zinc/89/89/99/1130898999.db2.gz OQBZAMGAVHMYRJ-UHFFFAOYSA-N -1 1 348.811 3.806 20 0 EHADMM Fc1cccc([C@H]2CCN2Cn2[n-]c(-c3ccccn3)nc2=S)c1 ZINC000743389727 1131908508 /nfs/dbraw/zinc/90/85/08/1131908508.db2.gz MDWWUVFRZWTMOO-OAHLLOKOSA-N -1 1 341.415 3.546 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2cc(F)cc(OC(F)(F)F)c2)no1 ZINC001212721656 1132057250 /nfs/dbraw/zinc/05/72/50/1132057250.db2.gz YYBWDVUWBGOVCP-UHFFFAOYSA-N -1 1 341.220 3.542 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000744455253 1132103346 /nfs/dbraw/zinc/10/33/46/1132103346.db2.gz GCYSCZODHQDCHK-CQSZACIVSA-N -1 1 326.392 3.874 20 0 EHADMM CCc1sc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1C ZINC000744553223 1132121450 /nfs/dbraw/zinc/12/14/50/1132121450.db2.gz FDTKUKOCXGZUQA-UHFFFAOYSA-N -1 1 332.421 3.927 20 0 EHADMM COC(=O)c1cc(Br)c([O-])c(Nc2ccccc2C)c1 ZINC001173815279 1132144733 /nfs/dbraw/zinc/14/47/33/1132144733.db2.gz HIJORZSDVGBYME-UHFFFAOYSA-N -1 1 336.185 3.993 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2csc(C(C)C)n2)c1 ZINC000744927311 1132165121 /nfs/dbraw/zinc/16/51/21/1132165121.db2.gz WGXIDGDHKUVTHP-UHFFFAOYSA-N -1 1 333.409 3.574 20 0 EHADMM O=S(=O)([O-])c1c(Nc2ccc3c[nH]nc3c2)ccc2ccccc21 ZINC001174501275 1132390616 /nfs/dbraw/zinc/39/06/16/1132390616.db2.gz KCVJIGFOOSWPTA-UHFFFAOYSA-N -1 1 339.376 3.706 20 0 EHADMM Fc1cc(F)c([N-]c2nc3cccc(C(F)(F)F)n3n2)c(F)c1 ZINC001175144178 1132580888 /nfs/dbraw/zinc/58/08/88/1132580888.db2.gz TYFHBFUSBOYXDT-UHFFFAOYSA-N -1 1 332.207 3.909 20 0 EHADMM O=C(C/C=C/Cc1ccccc1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168922651 1132605915 /nfs/dbraw/zinc/60/59/15/1132605915.db2.gz QOHKRAINZDRRSL-SNAWJCMRSA-N -1 1 333.391 3.705 20 0 EHADMM CCCOc1cccc(Nc2cc(S(=O)(=O)CC)ccc2[O-])c1 ZINC001175600392 1132707978 /nfs/dbraw/zinc/70/79/78/1132707978.db2.gz CSCTVQHPZWEFFD-UHFFFAOYSA-N -1 1 335.425 3.718 20 0 EHADMM C[C@H](c1ccc(Cl)cc1)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001175579294 1132714263 /nfs/dbraw/zinc/71/42/63/1132714263.db2.gz QWNAWYCSABDCQI-YGRLFVJLSA-N -1 1 334.769 3.544 20 0 EHADMM O=C(c1ccc(F)c(Nc2c([O-])cc(F)cc2F)c1)N1CCCC1 ZINC001176212797 1132876032 /nfs/dbraw/zinc/87/60/32/1132876032.db2.gz QCXHTXMNXHUSQQ-UHFFFAOYSA-N -1 1 336.313 3.789 20 0 EHADMM Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc([O-])cc1F ZINC000773573470 1132916980 /nfs/dbraw/zinc/91/69/80/1132916980.db2.gz OELJDSITFNQGCF-UHFFFAOYSA-N -1 1 333.340 3.913 20 0 EHADMM Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc([O-])cc3F)o2)c1 ZINC000773577173 1132928207 /nfs/dbraw/zinc/92/82/07/1132928207.db2.gz SFZRTGJRAGZXFL-LLVKDONJSA-N -1 1 342.326 3.808 20 0 EHADMM COc1ccccc1-n1nccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663432 1132978041 /nfs/dbraw/zinc/97/80/41/1132978041.db2.gz JZBWGDCSSUIQLV-UHFFFAOYSA-N -1 1 335.285 3.747 20 0 EHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)cnc1Br ZINC001176664880 1132978183 /nfs/dbraw/zinc/97/81/83/1132978183.db2.gz WTPZUYFSJAHNRG-UHFFFAOYSA-N -1 1 349.106 3.719 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000767292150 1132978869 /nfs/dbraw/zinc/97/88/69/1132978869.db2.gz SIHMHUXWIWTUCF-UHFFFAOYSA-N -1 1 336.366 3.942 20 0 EHADMM COc1ccccc1-c1cc(Nc2c(F)cc(F)c([O-])c2F)n(C)n1 ZINC001176663480 1132978944 /nfs/dbraw/zinc/97/89/44/1132978944.db2.gz GNQLDSXFBPTCMU-UHFFFAOYSA-N -1 1 349.312 3.962 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2ccc(OC3CCOCC3)nc2)c1F ZINC001176663584 1132979106 /nfs/dbraw/zinc/97/91/06/1132979106.db2.gz GBURZOTYFHTLNY-UHFFFAOYSA-N -1 1 340.301 3.506 20 0 EHADMM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2)n1 ZINC000767294521 1132979488 /nfs/dbraw/zinc/97/94/88/1132979488.db2.gz VFOJXVSWFIMKGL-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM CC1(C)Cc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2C(=O)N1 ZINC001176672598 1132979950 /nfs/dbraw/zinc/97/99/50/1132979950.db2.gz OKIFCYUZFGAYJZ-UHFFFAOYSA-N -1 1 336.313 3.618 20 0 EHADMM O=C1c2cccc(Nc3c(F)cc(F)c([O-])c3F)c2CN1C1CC1 ZINC001176674238 1132980800 /nfs/dbraw/zinc/98/08/00/1132980800.db2.gz SIGJFDYRBIWYCK-UHFFFAOYSA-N -1 1 334.297 3.671 20 0 EHADMM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000773585427 1132992919 /nfs/dbraw/zinc/99/29/19/1132992919.db2.gz UVJGLHZXZWPABW-CYBMUJFWSA-N -1 1 345.370 3.641 20 0 EHADMM O=C(Nc1ccccc1NC1CCCCC1)C(=O)c1ccc([O-])cc1 ZINC001177133593 1133034000 /nfs/dbraw/zinc/03/40/00/1133034000.db2.gz PEYVFCDXUUTIMY-UHFFFAOYSA-N -1 1 338.407 3.958 20 0 EHADMM CC(C)N(CCC(=O)Nc1ccc(F)cc1[O-])C(=O)OC(C)(C)C ZINC000768257089 1133118544 /nfs/dbraw/zinc/11/85/44/1133118544.db2.gz DWFWOJFVRPCJAY-UHFFFAOYSA-N -1 1 340.395 3.505 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000768273650 1133119872 /nfs/dbraw/zinc/11/98/72/1133119872.db2.gz VYYURVSTIUPBNN-YOEHRIQHSA-N -1 1 347.386 3.633 20 0 EHADMM C[C@@H](COCC1CCCCC1)NC(=O)c1ncc2ccccc2c1[O-] ZINC001178401780 1133162342 /nfs/dbraw/zinc/16/23/42/1133162342.db2.gz YJHPCDPFXVKWOT-AWEZNQCLSA-N -1 1 342.439 3.656 20 0 EHADMM COCc1ccc([C@@H]2CCCN2C(=O)c2c([O-])cccc2Cl)o1 ZINC000768670677 1133168560 /nfs/dbraw/zinc/16/85/60/1133168560.db2.gz LNVJKAHMPPIYGO-ZDUSSCGKSA-N -1 1 335.787 3.762 20 0 EHADMM CC(=O)Nc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)ccc1F ZINC001179655501 1133267690 /nfs/dbraw/zinc/26/76/90/1133267690.db2.gz GTUDJOCEHHVRJV-UHFFFAOYSA-N -1 1 340.713 3.535 20 0 EHADMM CC(=O)Nc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1F ZINC001179660626 1133268501 /nfs/dbraw/zinc/26/85/01/1133268501.db2.gz ZOPGGHSUOLIZHK-UHFFFAOYSA-N -1 1 340.713 3.535 20 0 EHADMM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1c([O-])cccc1Cl ZINC000769713459 1133333362 /nfs/dbraw/zinc/33/33/62/1133333362.db2.gz YQNNHEVCGBAISN-WBVHZDCISA-N -1 1 349.789 3.835 20 0 EHADMM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000769723325 1133335641 /nfs/dbraw/zinc/33/56/41/1133335641.db2.gz WLZDDWMEWIUBFW-KRWDZBQOSA-N -1 1 337.423 3.587 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(Oc3ccccc3)n2)c([O-])c1 ZINC001180667143 1133405450 /nfs/dbraw/zinc/40/54/50/1133405450.db2.gz GTSSEXJVPARBIL-UHFFFAOYSA-N -1 1 336.347 3.840 20 0 EHADMM Nc1ccc(Br)nc1Nc1cc(Cl)c([O-])cc1F ZINC001250020335 1133520360 /nfs/dbraw/zinc/52/03/60/1133520360.db2.gz QMEFATGCWGSUMS-UHFFFAOYSA-N -1 1 332.560 3.668 20 0 EHADMM [O-]c1ccc(-c2noc(-c3c(Cl)nc4ccccn43)n2)cc1F ZINC000771221017 1133529378 /nfs/dbraw/zinc/52/93/78/1133529378.db2.gz ALUNWSOEWBJGBW-UHFFFAOYSA-N -1 1 330.706 3.549 20 0 EHADMM COc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1F ZINC000771517309 1133569111 /nfs/dbraw/zinc/56/91/11/1133569111.db2.gz WVLYMGAXVXTTCJ-UHFFFAOYSA-N -1 1 329.249 3.811 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)Nc2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC000771607288 1133576721 /nfs/dbraw/zinc/57/67/21/1133576721.db2.gz JCXKYOLNKAZOAW-UHFFFAOYSA-N -1 1 349.383 3.511 20 0 EHADMM CC(C)Sc1ccccc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774047544 1133593212 /nfs/dbraw/zinc/59/32/12/1133593212.db2.gz IOMQYQQCKILEBQ-UHFFFAOYSA-N -1 1 344.465 3.771 20 0 EHADMM Cc1ccc(COC(=O)c2ccc(Br)c([O-])c2)c(C)n1 ZINC000772215851 1133657486 /nfs/dbraw/zinc/65/74/86/1133657486.db2.gz UPFNFRDZVZLORO-UHFFFAOYSA-N -1 1 336.185 3.524 20 0 EHADMM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001182466737 1133676344 /nfs/dbraw/zinc/67/63/44/1133676344.db2.gz GEWPJRGLHYWJRL-UHFFFAOYSA-N -1 1 335.407 3.803 20 0 EHADMM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183210755 1133782969 /nfs/dbraw/zinc/78/29/69/1133782969.db2.gz XCLIKGJKDCGYDW-UHFFFAOYSA-N -1 1 341.194 3.890 20 0 EHADMM Cc1ccc(Cl)c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000786796036 1133897362 /nfs/dbraw/zinc/89/73/62/1133897362.db2.gz XKVGTCKUSMHNOO-UHFFFAOYSA-N -1 1 330.815 3.848 20 0 EHADMM CC(C)CCc1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n[nH]1 ZINC000786897039 1133917969 /nfs/dbraw/zinc/91/79/69/1133917969.db2.gz NVGSURCWKXMHDV-UHFFFAOYSA-N -1 1 345.468 3.727 20 0 EHADMM O=C(Nc1nc2ccccc2n1CC1CC1)c1c(F)ccc([O-])c1F ZINC001184348157 1133930412 /nfs/dbraw/zinc/93/04/12/1133930412.db2.gz LUJDWCSDZTTXOU-UHFFFAOYSA-N -1 1 343.333 3.682 20 0 EHADMM CC(C)(C)COc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185392694 1134077815 /nfs/dbraw/zinc/07/78/15/1134077815.db2.gz UVVQMKIEZGFUOC-UHFFFAOYSA-N -1 1 325.455 3.974 20 0 EHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1scnc1C1CCCC1 ZINC000788113590 1134085813 /nfs/dbraw/zinc/08/58/13/1134085813.db2.gz ZAFCDUOGWPPFJP-UHFFFAOYSA-N -1 1 343.355 3.951 20 0 EHADMM O=S(=O)([N-][C@H]1CCCCC1(F)F)c1cc2ccccc2s1 ZINC001185473236 1134094917 /nfs/dbraw/zinc/09/49/17/1134094917.db2.gz IHPITYFRPMJTRU-LBPRGKRZSA-N -1 1 331.409 3.758 20 0 EHADMM COc1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001185553881 1134105384 /nfs/dbraw/zinc/10/53/84/1134105384.db2.gz JCASVBMHTWFICA-UHFFFAOYSA-N -1 1 340.301 3.741 20 0 EHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1-n1cccc1 ZINC001185828712 1134138415 /nfs/dbraw/zinc/13/84/15/1134138415.db2.gz HWUDHQASSMJGOY-UHFFFAOYSA-N -1 1 330.384 3.726 20 0 EHADMM Cc1cccc(C(C)(C)C)c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185996881 1134154929 /nfs/dbraw/zinc/15/49/29/1134154929.db2.gz QSADDAVDSZOMTG-UHFFFAOYSA-N -1 1 343.452 3.970 20 0 EHADMM O=C(Nc1cccc(CCc2ccccn2)c1)c1ccc([O-])c(F)c1 ZINC001186202350 1134181177 /nfs/dbraw/zinc/18/11/77/1134181177.db2.gz PANSZFAFMCOIDB-UHFFFAOYSA-N -1 1 336.366 3.964 20 0 EHADMM O=C(Nc1nc(Cl)c(Cl)nc1Cl)c1ccc([O-])cc1F ZINC001186318069 1134194355 /nfs/dbraw/zinc/19/43/55/1134194355.db2.gz FHWXWBRVDQBEAB-UHFFFAOYSA-N -1 1 336.537 3.534 20 0 EHADMM C[C@@H](NC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)C1CCCCC1 ZINC001186314627 1134198634 /nfs/dbraw/zinc/19/86/34/1134198634.db2.gz OOWXVMLYDWIQCR-CYBMUJFWSA-N -1 1 328.416 3.668 20 0 EHADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2o1 ZINC000074937355 1134253581 /nfs/dbraw/zinc/25/35/81/1134253581.db2.gz VBGOKEXEWJVYTH-UHFFFAOYSA-N -1 1 340.763 3.730 20 0 EHADMM Cc1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187032789 1134292762 /nfs/dbraw/zinc/29/27/62/1134292762.db2.gz LCGNUMVCILSIDM-UHFFFAOYSA-N -1 1 331.224 3.639 20 0 EHADMM CCCCOc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C)c([O-])c1 ZINC000789757173 1134326862 /nfs/dbraw/zinc/32/68/62/1134326862.db2.gz IEUOANVLCVZEOJ-UHFFFAOYSA-N -1 1 329.400 3.732 20 0 EHADMM COc1ccc2oc(C)c(C(=O)Nc3nc(Cl)ccc3[O-])c2c1 ZINC000790056920 1134366809 /nfs/dbraw/zinc/36/68/09/1134366809.db2.gz QBLPOYTWTOALDJ-UHFFFAOYSA-N -1 1 332.743 3.756 20 0 EHADMM COc1cc(C(=O)Nc2ccc(Cl)nc2C)cc(Cl)c1[O-] ZINC000790253135 1134385746 /nfs/dbraw/zinc/38/57/46/1134385746.db2.gz SGKCQERTQCSOAF-UHFFFAOYSA-N -1 1 327.167 3.663 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1c(F)cccc1Cl ZINC001187829539 1134392069 /nfs/dbraw/zinc/39/20/69/1134392069.db2.gz QNXHJYQMXMMZOO-QMMMGPOBSA-N -1 1 349.761 3.797 20 0 EHADMM O=S(=O)([N-]c1cnccc1F)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188430012 1134462070 /nfs/dbraw/zinc/46/20/70/1134462070.db2.gz SAHGBVLJUUUVQJ-UHFFFAOYSA-N -1 1 346.358 3.828 20 0 EHADMM COc1ccc(NC(=O)Nc2cc(F)c([O-])cc2F)cc1Cl ZINC001188474475 1134470496 /nfs/dbraw/zinc/47/04/96/1134470496.db2.gz LTXOCSWAPIOJBJ-UHFFFAOYSA-N -1 1 328.702 3.976 20 0 EHADMM Cc1c(Br)cccc1CC(=O)Nc1c([O-])cccc1F ZINC000790820975 1134470804 /nfs/dbraw/zinc/47/08/04/1134470804.db2.gz CRDWJLDWKXNGQJ-UHFFFAOYSA-N -1 1 338.176 3.783 20 0 EHADMM O=S(=O)(CC1CC1)[N-]c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001188964446 1134526034 /nfs/dbraw/zinc/52/60/34/1134526034.db2.gz YACHFLGKNSPJCO-UHFFFAOYSA-N -1 1 347.280 3.876 20 0 EHADMM Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001189037593 1134534930 /nfs/dbraw/zinc/53/49/30/1134534930.db2.gz WWCSQWCTDXRFIZ-UHFFFAOYSA-N -1 1 341.333 3.694 20 0 EHADMM C[C@H](O)c1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189347908 1134574321 /nfs/dbraw/zinc/57/43/21/1134574321.db2.gz MBVKWFMINLOIJJ-LBPRGKRZSA-N -1 1 345.395 3.833 20 0 EHADMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1csc2ncccc12 ZINC001189649763 1134612197 /nfs/dbraw/zinc/61/21/97/1134612197.db2.gz WAAQKPYXKFNAHO-UHFFFAOYSA-N -1 1 340.376 3.516 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(Cl)cn1 ZINC000792447888 1134687770 /nfs/dbraw/zinc/68/77/70/1134687770.db2.gz MSDIVWAJSHCUDG-VIFPVBQESA-N -1 1 328.721 3.843 20 0 EHADMM Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190896780 1134764023 /nfs/dbraw/zinc/76/40/23/1134764023.db2.gz RMXHOWGJJRSJNJ-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM COc1cc(C(=O)Nc2ccc(C3(C)COC3)cc2)cc(Cl)c1[O-] ZINC001191148990 1134801025 /nfs/dbraw/zinc/80/10/25/1134801025.db2.gz YZBIFZFZMLSALG-UHFFFAOYSA-N -1 1 347.798 3.594 20 0 EHADMM COc1cc(C(=O)Nc2cccc3cncc(F)c32)cc(Cl)c1[O-] ZINC001191148682 1134801937 /nfs/dbraw/zinc/80/19/37/1134801937.db2.gz PRKUVSASTBCOQQ-UHFFFAOYSA-N -1 1 346.745 3.994 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C)c3c2)cc1 ZINC001191223719 1134828978 /nfs/dbraw/zinc/82/89/78/1134828978.db2.gz FNCVZIUKFYGGFT-UHFFFAOYSA-N -1 1 343.452 3.717 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cnc3c(ccn3C)c2)cc1 ZINC001191232724 1134833055 /nfs/dbraw/zinc/83/30/55/1134833055.db2.gz FCHHMIIGOSHCSM-UHFFFAOYSA-N -1 1 343.452 3.717 20 0 EHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC001191821145 1134930399 /nfs/dbraw/zinc/93/03/99/1134930399.db2.gz LJYLEOIACSVSLE-UHFFFAOYSA-N -1 1 345.342 3.612 20 0 EHADMM O=C(Nc1ncccc1-c1ccccc1)c1cc([O-])cc(F)c1F ZINC001192652163 1135039722 /nfs/dbraw/zinc/03/97/22/1135039722.db2.gz VTVMZBIJQGBZDD-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000794320659 1135041051 /nfs/dbraw/zinc/04/10/51/1135041051.db2.gz MZJVPDFJVQDASA-OCCSQVGLSA-N -1 1 349.475 3.618 20 0 EHADMM CC1(C)CC(=O)Nc2c(NC(=O)c3cc([O-])cc(F)c3F)cccc21 ZINC001192669937 1135043659 /nfs/dbraw/zinc/04/36/59/1135043659.db2.gz ABCPYWMQYOCYGR-UHFFFAOYSA-N -1 1 346.333 3.543 20 0 EHADMM O=C(C[C@H]1CCCc2ccccc21)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129640077 1135125634 /nfs/dbraw/zinc/12/56/34/1135125634.db2.gz YKGGUPMCLXEFNV-CQSZACIVSA-N -1 1 337.423 3.510 20 0 EHADMM Cc1cc2cc(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)oc2cc1C ZINC001129639414 1135125936 /nfs/dbraw/zinc/12/59/36/1135125936.db2.gz NFSMKGLACKJPTE-UHFFFAOYSA-N -1 1 337.379 3.676 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CO)c2ccccc12 ZINC001193864041 1135198410 /nfs/dbraw/zinc/19/84/10/1135198410.db2.gz VGCUHBCPUDUXEG-UHFFFAOYSA-N -1 1 341.432 3.750 20 0 EHADMM O=S(=O)(Cc1noc2ccccc21)[N-]c1csc2ccccc12 ZINC001194051992 1135222675 /nfs/dbraw/zinc/22/26/75/1135222675.db2.gz RRBPEODFWZQEEK-UHFFFAOYSA-N -1 1 344.417 3.984 20 0 EHADMM CC(C)(C)COC(=O)Nc1ccc(I)cc1[O-] ZINC001194385963 1135262634 /nfs/dbraw/zinc/26/26/34/1135262634.db2.gz ZTDLHDSDIMGUPN-UHFFFAOYSA-N -1 1 349.168 3.591 20 0 EHADMM Cc1cccc(NC(=O)c2c[n-]c(C(F)(F)F)n2)c1Br ZINC001194782921 1135315822 /nfs/dbraw/zinc/31/58/22/1135315822.db2.gz ZYRPFDKCMBXUDD-UHFFFAOYSA-N -1 1 348.122 3.752 20 0 EHADMM Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2ccc(F)cc2)c(F)c1 ZINC001194833951 1135327364 /nfs/dbraw/zinc/32/73/64/1135327364.db2.gz XOTOTCORRVTNTM-UHFFFAOYSA-N -1 1 343.370 3.626 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ncc(Cl)cc2F)c1 ZINC001195116038 1135371912 /nfs/dbraw/zinc/37/19/12/1135371912.db2.gz KQDUYDUKPFCMKY-UHFFFAOYSA-N -1 1 328.796 3.798 20 0 EHADMM CCOc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc(C)n1 ZINC001195119875 1135372319 /nfs/dbraw/zinc/37/23/19/1135372319.db2.gz CSDYWCNQLWGWAA-UHFFFAOYSA-N -1 1 334.441 3.713 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccnc(OC(F)F)c2)c1 ZINC001195120896 1135373454 /nfs/dbraw/zinc/37/34/54/1135373454.db2.gz QXGIUIBANRGGTH-UHFFFAOYSA-N -1 1 342.367 3.607 20 0 EHADMM Cc1cc2nsnc2cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195159414 1135384663 /nfs/dbraw/zinc/38/46/63/1135384663.db2.gz QMWZPJTYTOBLOD-UHFFFAOYSA-N -1 1 347.465 3.924 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@H](C1CCC1)C(F)(F)F ZINC001195328610 1135406356 /nfs/dbraw/zinc/40/63/56/1135406356.db2.gz ZDAPVRJDLCRRBT-GFCCVEGCSA-N -1 1 341.782 3.658 20 0 EHADMM O=C(Nc1ncc(-c2ccccc2)s1)c1cc([O-])cnc1Cl ZINC001195298183 1135409019 /nfs/dbraw/zinc/40/90/19/1135409019.db2.gz PMCMLNGNIKFHHU-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC001195307921 1135411211 /nfs/dbraw/zinc/41/12/11/1135411211.db2.gz BULVAIFGUXGCAT-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM Cc1cc(OC(F)F)ccc1NC(=O)c1cc([O-])cnc1Cl ZINC001195309945 1135412149 /nfs/dbraw/zinc/41/21/49/1135412149.db2.gz XPHSLVBWHNKPGJ-UHFFFAOYSA-N -1 1 328.702 3.603 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCc2ccccc2C1)c1sccc1Cl ZINC001195594345 1135440009 /nfs/dbraw/zinc/44/00/09/1135440009.db2.gz WUFWYPHASXRLQA-CYBMUJFWSA-N -1 1 341.885 3.627 20 0 EHADMM CCCCCN(CCCCC)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806483600 1135450184 /nfs/dbraw/zinc/45/01/84/1135450184.db2.gz KDVKVRHIZWFCGV-UHFFFAOYSA-N -1 1 331.464 3.556 20 0 EHADMM CC(C)(C)c1nnc([N-]C(=O)c2c(Cl)cc(Cl)nc2Cl)o1 ZINC001195909999 1135489131 /nfs/dbraw/zinc/48/91/31/1135489131.db2.gz ZZZJOCRWKRUAOL-UHFFFAOYSA-N -1 1 349.605 3.975 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Cl)c(F)c1 ZINC001196382541 1135552548 /nfs/dbraw/zinc/55/25/48/1135552548.db2.gz FQKHXNMEYBDOFH-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM [O-]c1cc(NC(=S)NCc2ccccc2Cl)c(F)cc1F ZINC001196825392 1135620332 /nfs/dbraw/zinc/62/03/32/1135620332.db2.gz VIEZHOSEEIDSRT-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM COc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198858503 1135861922 /nfs/dbraw/zinc/86/19/22/1135861922.db2.gz AVFJYFIIJPLLCI-UHFFFAOYSA-N -1 1 339.319 3.520 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1Cl ZINC001198863259 1135863000 /nfs/dbraw/zinc/86/30/00/1135863000.db2.gz XGDYTFWFKFJDKU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/64/49/82/1136644982.db2.gz VERPJIPYFPKMHS-HNNXBMFYSA-N -1 1 326.179 3.545 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc(Br)cc1 ZINC001135495524 1136698926 /nfs/dbraw/zinc/69/89/26/1136698926.db2.gz IGSWSZLQPNGYHH-UHFFFAOYSA-N -1 1 340.604 3.989 20 0 EHADMM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc([O-])c1F ZINC001135633887 1136738708 /nfs/dbraw/zinc/73/87/08/1136738708.db2.gz KACAXKIMZVWFHU-UHFFFAOYSA-N -1 1 327.277 3.822 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000816740417 1136751227 /nfs/dbraw/zinc/75/12/27/1136751227.db2.gz BSQMZSBCJQWHGV-UHFFFAOYSA-N -1 1 329.306 3.621 20 0 EHADMM CCCCC[C@H]1CCCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000856271747 1136771473 /nfs/dbraw/zinc/77/14/73/1136771473.db2.gz LYYBKTBTCRXJDD-AWEZNQCLSA-N -1 1 332.473 3.593 20 0 EHADMM CCCCOc1ccc(OC)cc1NC(=O)c1ccc(F)c([O-])c1 ZINC001136193304 1136913819 /nfs/dbraw/zinc/91/38/19/1136913819.db2.gz NYAHQIMJGUTWJY-UHFFFAOYSA-N -1 1 333.359 3.971 20 0 EHADMM O=Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(Cl)s1 ZINC001136190510 1136916638 /nfs/dbraw/zinc/91/66/38/1136916638.db2.gz HJMRKJBNESNQPB-UHFFFAOYSA-N -1 1 347.783 3.562 20 0 EHADMM O=c1nc(NCCCO[C@H]2CCCc3ccccc32)cc(Cl)[n-]1 ZINC000858411580 1136965648 /nfs/dbraw/zinc/96/56/48/1136965648.db2.gz OQIPXAULXWJEJI-AWEZNQCLSA-N -1 1 333.819 3.732 20 0 EHADMM Cc1ccc(NC(=O)c2cccc([O-])c2F)c(OC[C@@H]2CCCO2)c1 ZINC001136393803 1137009197 /nfs/dbraw/zinc/00/91/97/1137009197.db2.gz ZSKPNYHZEZAWJA-ZDUSSCGKSA-N -1 1 345.370 3.650 20 0 EHADMM CCc1cc2c(CC(=O)[N-]O[C@@H]3CCCCO3)csc2s1 ZINC001136459623 1137031076 /nfs/dbraw/zinc/03/10/76/1137031076.db2.gz BYWVNCIVANOZCK-CQSZACIVSA-N -1 1 325.455 3.642 20 0 EHADMM COC(=O)c1ccc(F)c([N-]C(=O)c2nc(Cl)sc2Cl)c1 ZINC000821671917 1137035434 /nfs/dbraw/zinc/03/54/34/1137035434.db2.gz QCRITRDUUBXRRL-UHFFFAOYSA-N -1 1 349.170 3.628 20 0 EHADMM O=C(Nc1ccnn1C1CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001136528187 1137046988 /nfs/dbraw/zinc/04/69/88/1137046988.db2.gz ZPRBOLPQEBMORX-UHFFFAOYSA-N -1 1 339.317 3.975 20 0 EHADMM COc1ccccc1SC[C@@H](C)CNC(=O)c1cccc([O-])c1F ZINC001136714186 1137097707 /nfs/dbraw/zinc/09/77/07/1137097707.db2.gz FUVWWZMEYUGBKV-LBPRGKRZSA-N -1 1 349.427 3.698 20 0 EHADMM CC[C@@H](CCc1ccccc1)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000862691129 1137154059 /nfs/dbraw/zinc/15/40/59/1137154059.db2.gz PNQHDVYKDAIYPC-INIZCTEOSA-N -1 1 341.455 3.755 20 0 EHADMM O=C1CC2(CCN(Cc3c(F)cc([O-])cc3F)CC2)c2ccccc21 ZINC001144562137 1137310283 /nfs/dbraw/zinc/31/02/83/1137310283.db2.gz ZZYPCRGLOHLSEX-UHFFFAOYSA-N -1 1 343.373 3.791 20 0 EHADMM O=C([N-]CCCSCc1cccc(C(F)F)c1)C(F)(F)F ZINC000794895563 1137329472 /nfs/dbraw/zinc/32/94/72/1137329472.db2.gz DLGJUWWFVDHWEQ-UHFFFAOYSA-N -1 1 327.318 3.926 20 0 EHADMM CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(F)c([O-])c1 ZINC001144941765 1137366360 /nfs/dbraw/zinc/36/63/60/1137366360.db2.gz ZEGYSSVBWRORSU-UHFFFAOYSA-N -1 1 331.387 3.638 20 0 EHADMM CO[C@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1C(F)(F)F ZINC001146491428 1137391240 /nfs/dbraw/zinc/39/12/40/1137391240.db2.gz BDNFIDXSNZBWHS-AWEZNQCLSA-N -1 1 343.276 3.876 20 0 EHADMM O=C(Nc1ccc(C(F)F)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794271 1137434996 /nfs/dbraw/zinc/43/49/96/1137434996.db2.gz GOLAREZORUIQPA-UHFFFAOYSA-N -1 1 332.228 3.996 20 0 EHADMM CC(C)c1nc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2[O-])no1 ZINC001148808624 1137435479 /nfs/dbraw/zinc/43/54/79/1137435479.db2.gz JWKJXCQEPJANJJ-ZDUSSCGKSA-N -1 1 349.818 3.919 20 0 EHADMM C[C@](CO)(NC(=O)c1cccc(-c2ccccc2)c1[O-])c1ccccc1 ZINC001148873663 1137435938 /nfs/dbraw/zinc/43/59/38/1137435938.db2.gz ZWZUWGCETSUNRS-JOCHJYFZSA-N -1 1 347.414 3.697 20 0 EHADMM CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)Nc2cccc(F)c2[O-])o1 ZINC001171636711 1137504362 /nfs/dbraw/zinc/50/43/62/1137504362.db2.gz JGWGPTATGRPTEX-CSKARUKUSA-N -1 1 347.342 3.732 20 0 EHADMM Cc1ccc(Cl)c(-c2noc(-c3[n-]nnc3C(F)(F)F)n2)c1 ZINC001212652930 1137548710 /nfs/dbraw/zinc/54/87/10/1137548710.db2.gz PBZLYRFKOOUUCE-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1ccc(Cl)c(-c2noc(-c3nn[n-]c3C(F)(F)F)n2)c1 ZINC001212652930 1137548712 /nfs/dbraw/zinc/54/87/12/1137548712.db2.gz PBZLYRFKOOUUCE-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1ccc(Cl)c(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)c1 ZINC001212652930 1137548714 /nfs/dbraw/zinc/54/87/14/1137548714.db2.gz PBZLYRFKOOUUCE-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1c(Cl)ccc2c1CN(CCOc1ccccc1C(=O)[O-])CC2 ZINC000872165675 1137574778 /nfs/dbraw/zinc/57/47/78/1137574778.db2.gz IYIZCVJTNSQNCJ-UHFFFAOYSA-N -1 1 345.826 3.784 20 0 EHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC2(CC2)c2ccccc21 ZINC000876393541 1137650570 /nfs/dbraw/zinc/65/05/70/1137650570.db2.gz JFAUKIFWTMZEMT-UHFFFAOYSA-N -1 1 328.799 3.807 20 0 EHADMM Cn1cccc1[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394686 1137650690 /nfs/dbraw/zinc/65/06/90/1137650690.db2.gz ZPUQOOUCGKWSSU-MRXNPFEDSA-N -1 1 347.846 3.821 20 0 EHADMM CN(C(=O)NCc1ccc([O-])c(Cl)c1)[C@H]1CCc2ccccc21 ZINC000876395248 1137650775 /nfs/dbraw/zinc/65/07/75/1137650775.db2.gz YJUBVEVUMXDNMP-INIZCTEOSA-N -1 1 330.815 3.875 20 0 EHADMM COc1ccccc1[C@@H]([N-]c1nnc(C(C)(C)C)o1)c1ccccn1 ZINC000882138180 1137821934 /nfs/dbraw/zinc/82/19/34/1137821934.db2.gz DINFYNLZNOCKMP-MRXNPFEDSA-N -1 1 338.411 3.972 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCSc2ccccc21 ZINC000883966144 1137884144 /nfs/dbraw/zinc/88/41/44/1137884144.db2.gz BHXIFFMUTJPYFD-ZDUSSCGKSA-N -1 1 343.452 3.581 20 0 EHADMM CCOc1cc(-c2noc(C(C)C)n2)cc(Br)c1[O-] ZINC000109508091 1137893133 /nfs/dbraw/zinc/89/31/33/1137893133.db2.gz JQNJWCWYVXDWCL-UHFFFAOYSA-N -1 1 327.178 3.727 20 0 EHADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c1 ZINC000800033540 1137895073 /nfs/dbraw/zinc/89/50/73/1137895073.db2.gz GJEZIRVOTRINJQ-UHFFFAOYSA-N -1 1 344.358 3.659 20 0 EHADMM CC(C)(C)OCc1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000885616680 1138012272 /nfs/dbraw/zinc/01/22/72/1138012272.db2.gz OWDNDERAGHVLPM-UHFFFAOYSA-N -1 1 341.411 3.627 20 0 EHADMM O=C(NCCc1c(F)cc([O-])cc1F)[C@H]1CCSc2ccccc21 ZINC000886264531 1138062544 /nfs/dbraw/zinc/06/25/44/1138062544.db2.gz BAMCXPTZFIMPLF-ZDUSSCGKSA-N -1 1 349.402 3.609 20 0 EHADMM CCCCc1ccc(NC(=O)NCc2n[n-]c(=S)n2CC)cc1 ZINC000081600965 1138170556 /nfs/dbraw/zinc/17/05/56/1138170556.db2.gz ZGGPHVPMDHLLPS-UHFFFAOYSA-N -1 1 333.461 3.625 20 0 EHADMM CC(C)c1ccc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000085546456 1138184690 /nfs/dbraw/zinc/18/46/90/1138184690.db2.gz IKQZVNNJUFTAFT-UHFFFAOYSA-N -1 1 333.461 3.967 20 0 EHADMM CSCCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182935034 1140002476 /nfs/dbraw/zinc/00/24/76/1140002476.db2.gz OHXXYXFYLXWQNG-UHFFFAOYSA-N -1 1 332.263 3.935 20 0 EHADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000186865601 1140225797 /nfs/dbraw/zinc/22/57/97/1140225797.db2.gz CAFBMQYIGYEQSP-NSHDSACASA-N -1 1 349.814 3.983 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC([C@H]2CCCO2)CC1 ZINC000187499080 1140257906 /nfs/dbraw/zinc/25/79/06/1140257906.db2.gz GTQDGOXRMUFORA-LJQANCHMSA-N -1 1 325.408 3.577 20 0 EHADMM CCCc1nc(C)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)s1 ZINC000339128146 1141504831 /nfs/dbraw/zinc/50/48/31/1141504831.db2.gz OACVFNGZIYFTPI-UHFFFAOYSA-N -1 1 342.424 3.752 20 0 EHADMM CCCOc1ccc2c(c1)CCN(C(=O)c1c(F)ccc([O-])c1F)C2 ZINC000349112965 1141640638 /nfs/dbraw/zinc/64/06/38/1141640638.db2.gz XIKCGMFXFSDPFM-UHFFFAOYSA-N -1 1 347.361 3.658 20 0 EHADMM CN(C)Cc1cnc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)s1 ZINC000349109628 1141640808 /nfs/dbraw/zinc/64/08/08/1141640808.db2.gz NVFBVWGWWVKHJA-BQYQJAHWSA-N -1 1 339.420 3.622 20 0 EHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000055595152 214333510 /nfs/dbraw/zinc/33/35/10/214333510.db2.gz AQGWWRGGDWIMSP-UHFFFAOYSA-N -1 1 333.453 3.832 20 0 EHADMM CCCOc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821133810 607308777 /nfs/dbraw/zinc/30/87/77/607308777.db2.gz FTORETMOKLJWQI-UHFFFAOYSA-N -1 1 349.847 3.983 20 0 EHADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc(C2SCCS2)c1 ZINC000823756766 607311053 /nfs/dbraw/zinc/31/10/53/607311053.db2.gz HLYUKFFXTGHNRB-UHFFFAOYSA-N -1 1 345.453 3.550 20 0 EHADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc(C2SCCS2)c1 ZINC000823756766 607311054 /nfs/dbraw/zinc/31/10/54/607311054.db2.gz HLYUKFFXTGHNRB-UHFFFAOYSA-N -1 1 345.453 3.550 20 0 EHADMM Fc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1OC1CCCC1 ZINC000822753485 599455558 /nfs/dbraw/zinc/45/55/58/599455558.db2.gz NXWUPWJXBPLAHY-UHFFFAOYSA-N -1 1 343.362 3.532 20 0 EHADMM Fc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1OC1CCCC1 ZINC000822753485 599455561 /nfs/dbraw/zinc/45/55/61/599455561.db2.gz NXWUPWJXBPLAHY-UHFFFAOYSA-N -1 1 343.362 3.532 20 0 EHADMM Fc1cccc2c1CC[C@@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822790932 599494612 /nfs/dbraw/zinc/49/46/12/599494612.db2.gz AJLDFDAMTWWOQU-INIZCTEOSA-N -1 1 346.369 3.653 20 0 EHADMM Fc1cccc2c1CC[C@@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822790932 599494615 /nfs/dbraw/zinc/49/46/15/599494615.db2.gz AJLDFDAMTWWOQU-INIZCTEOSA-N -1 1 346.369 3.653 20 0 EHADMM COc1cccc(-c2nc(CN(C[C@H](C)C(=O)[O-])C3CC3)cs2)c1 ZINC000570854893 599949767 /nfs/dbraw/zinc/94/97/67/599949767.db2.gz QYHUQSVYNJYJPR-LBPRGKRZSA-N -1 1 346.452 3.504 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738640137 600132881 /nfs/dbraw/zinc/13/28/81/600132881.db2.gz VQKMHDICTKHCFL-UHFFFAOYSA-N -1 1 336.347 3.611 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)cs2)cc1 ZINC000405354020 600303926 /nfs/dbraw/zinc/30/39/26/600303926.db2.gz GXYIVUIYABICQS-MRXNPFEDSA-N -1 1 342.464 3.805 20 0 EHADMM CC[C@@H](C)c1ccc(NC(=O)CNC2(C(=O)[O-])CCCCC2)cc1 ZINC000736890662 600319066 /nfs/dbraw/zinc/31/90/66/600319066.db2.gz GCOIWOINJAHELY-CQSZACIVSA-N -1 1 332.444 3.516 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1OC(F)F)c1cccc(Cl)c1 ZINC000739506250 600420453 /nfs/dbraw/zinc/42/04/53/600420453.db2.gz WWWSFIRUTVJLNL-CQSZACIVSA-N -1 1 341.741 3.857 20 0 EHADMM CC[C@H]1c2ccccc2CCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000736949676 600427711 /nfs/dbraw/zinc/42/77/11/600427711.db2.gz LQMONQRREZAQHJ-SFHVURJKSA-N -1 1 335.407 3.701 20 0 EHADMM COc1ccc2ccccc2c1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000832504898 600735951 /nfs/dbraw/zinc/73/59/51/600735951.db2.gz YOKSNZOHOPRFFD-IBGZPJMESA-N -1 1 339.366 3.903 20 0 EHADMM Cc1nn(-c2ccccc2)c(Cl)c1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000833011968 601374991 /nfs/dbraw/zinc/37/49/91/601374991.db2.gz UXDPLKJLIGZIGS-LBPRGKRZSA-N -1 1 347.846 3.519 20 0 EHADMM CN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1-c1ccccc1 ZINC000825985923 607516386 /nfs/dbraw/zinc/51/63/86/607516386.db2.gz FYVFPLWDXAOVDB-UHFFFAOYSA-N -1 1 342.406 3.565 20 0 EHADMM CN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1-c1ccccc1 ZINC000825985923 607516388 /nfs/dbraw/zinc/51/63/88/607516388.db2.gz FYVFPLWDXAOVDB-UHFFFAOYSA-N -1 1 342.406 3.565 20 0 EHADMM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(OC(F)(F)F)cc1 ZINC000566920331 601806720 /nfs/dbraw/zinc/80/67/20/601806720.db2.gz LBKJPYFCKDNBQM-UHFFFAOYSA-N -1 1 345.342 3.977 20 0 EHADMM C/C(=C/CN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl)C(=O)[O-] ZINC000825741737 601907806 /nfs/dbraw/zinc/90/78/06/601907806.db2.gz QXMAQBZSEZYADI-YRBHFNIASA-N -1 1 339.867 3.669 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824757435 607533578 /nfs/dbraw/zinc/53/35/78/607533578.db2.gz WUHBVBHWDXICRT-SECBINFHSA-N -1 1 333.367 3.534 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824757435 607533580 /nfs/dbraw/zinc/53/35/80/607533580.db2.gz WUHBVBHWDXICRT-SECBINFHSA-N -1 1 333.367 3.534 20 0 EHADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)s1 ZINC000518990603 601948939 /nfs/dbraw/zinc/94/89/39/601948939.db2.gz LEQGIDROKYLSTR-CQSZACIVSA-N -1 1 345.420 3.555 20 0 EHADMM Cc1cccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000832967331 601973133 /nfs/dbraw/zinc/97/31/33/601973133.db2.gz ZPXVNWRWMIDJNS-AWEZNQCLSA-N -1 1 325.195 3.612 20 0 EHADMM CCN(CC)[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000829659255 602324572 /nfs/dbraw/zinc/32/45/72/602324572.db2.gz XMOJBCCGRRRRBK-QGZVFWFLSA-N -1 1 344.386 3.546 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000824475932 603240574 /nfs/dbraw/zinc/24/05/74/603240574.db2.gz CUCABNNSBBZREO-UHFFFAOYSA-N -1 1 334.397 3.701 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000830935949 603787116 /nfs/dbraw/zinc/78/71/16/603787116.db2.gz GIUXJONVDORLAS-UHFFFAOYSA-N -1 1 349.456 3.722 20 0 EHADMM Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830937180 604238680 /nfs/dbraw/zinc/23/86/80/604238680.db2.gz UHZDISHEGVWTDR-DGCLKSJQSA-N -1 1 349.456 3.580 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc(F)c(Br)c1 ZINC000827741043 604330254 /nfs/dbraw/zinc/33/02/54/604330254.db2.gz HAZYFDFDERKUQL-QMMMGPOBSA-N -1 1 342.164 3.730 20 0 EHADMM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)s1 ZINC000833754974 604637403 /nfs/dbraw/zinc/63/74/03/604637403.db2.gz SCYRNJSOGYVAHF-CHWSQXEVSA-N -1 1 348.468 3.805 20 0 EHADMM Cc1ccc(-c2ncc(CN3CCSC[C@@H]3CC(=O)[O-])s2)cc1 ZINC000833746518 604661774 /nfs/dbraw/zinc/66/17/74/604661774.db2.gz IVPQRBPLOKTKIN-AWEZNQCLSA-N -1 1 348.493 3.511 20 0 EHADMM COc1ccc2oc([C@H](C)NCc3ccoc3C(=O)[O-])c(C)c2c1 ZINC000833735386 605091834 /nfs/dbraw/zinc/09/18/34/605091834.db2.gz YZVXEVWKCKVKDD-NSHDSACASA-N -1 1 329.352 3.892 20 0 EHADMM O=C([O-])Nc1ccc(CN2CCCCC[C@H]2c2ccncc2)cn1 ZINC000834260322 605462842 /nfs/dbraw/zinc/46/28/42/605462842.db2.gz PPAMUTCNSBSUJR-INIZCTEOSA-N -1 1 326.400 3.684 20 0 EHADMM O=C([O-])N[C@@H]1C[C@H](N[C@H]2CCOc3ccc(F)cc32)c2ccccc21 ZINC000834156358 605801741 /nfs/dbraw/zinc/80/17/41/605801741.db2.gz BEESFLOWWYFNPN-YESZJQIVSA-N -1 1 342.370 3.693 20 0 EHADMM CC[C@H](C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820876132 606412915 /nfs/dbraw/zinc/41/29/15/606412915.db2.gz MHCCFBGXYKYHAU-NSHDSACASA-N -1 1 329.429 3.718 20 0 EHADMM CCCCCN(CCCCC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821055788 606513282 /nfs/dbraw/zinc/51/32/82/606513282.db2.gz GNACMQQUJVDTAO-UHFFFAOYSA-N -1 1 335.477 3.751 20 0 EHADMM CCCCCN(CCCCC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821055788 606513284 /nfs/dbraw/zinc/51/32/84/606513284.db2.gz GNACMQQUJVDTAO-UHFFFAOYSA-N -1 1 335.477 3.751 20 0 EHADMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1F ZINC000822228821 606733583 /nfs/dbraw/zinc/73/35/83/606733583.db2.gz GHEDRLCQMNHLQO-SECBINFHSA-N -1 1 332.770 3.536 20 0 EHADMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1F ZINC000822228821 606733581 /nfs/dbraw/zinc/73/35/81/606733581.db2.gz GHEDRLCQMNHLQO-SECBINFHSA-N -1 1 332.770 3.536 20 0 EHADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825052420 609600707 /nfs/dbraw/zinc/60/07/07/609600707.db2.gz WFHPAYUYRHBPOJ-NXEZZACHSA-N -1 1 335.477 3.846 20 0 EHADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825052420 609600708 /nfs/dbraw/zinc/60/07/08/609600708.db2.gz WFHPAYUYRHBPOJ-NXEZZACHSA-N -1 1 335.477 3.846 20 0 EHADMM CCCCC[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000821050789 945625967 /nfs/dbraw/zinc/62/59/67/945625967.db2.gz UNMAGGGHQLZEIH-SECBINFHSA-N -1 1 326.857 3.526 20 0 EHADMM CCCCC[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000821050789 945625981 /nfs/dbraw/zinc/62/59/81/945625981.db2.gz UNMAGGGHQLZEIH-SECBINFHSA-N -1 1 326.857 3.526 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2[nH]1 ZINC000326999825 971355387 /nfs/dbraw/zinc/35/53/87/971355387.db2.gz JYWBMFHZIRQXBK-QWHCGFSZSA-N -1 1 343.427 3.690 20 0 EHADMM C[C@H](CN(C)Cc1cc2cc(Cl)ccc2nc1Cl)C(=O)[O-] ZINC000848598840 955772837 /nfs/dbraw/zinc/77/28/37/955772837.db2.gz STHMRCZHHCQVJI-SECBINFHSA-N -1 1 327.211 3.694 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000903686811 956865714 /nfs/dbraw/zinc/86/57/14/956865714.db2.gz ULLRMZYLYGXPFO-UHFFFAOYSA-N -1 1 347.411 3.680 20 0 EHADMM Cc1sc(NC(=O)c2ccc(Cl)cc2O)c(C(=O)[O-])c1C ZINC000021500390 957150256 /nfs/dbraw/zinc/15/02/56/957150256.db2.gz CCBNWYIYBLWWDH-UHFFFAOYSA-N -1 1 325.773 3.674 20 0 EHADMM O=C([O-])c1ccc(CNCc2c(Cl)cccc2-n2ccnc2)s1 ZINC001574802846 957844261 /nfs/dbraw/zinc/84/42/61/957844261.db2.gz RIJXHJRECZVDMC-UHFFFAOYSA-N -1 1 347.827 3.575 20 0 EHADMM Cc1c(NC(=O)Nc2cccc(C(=O)[O-])c2)[nH]nc1-c1ccccc1 ZINC001594253867 959637698 /nfs/dbraw/zinc/63/76/98/959637698.db2.gz LKXNOBFNFUKLSF-UHFFFAOYSA-N -1 1 336.351 3.727 20 0 EHADMM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1cncc([O-])c1 ZINC000600968498 1032070748 /nfs/dbraw/zinc/07/07/48/1032070748.db2.gz WCRIQEBPHAWNML-UHFFFAOYSA-N -1 1 330.815 3.682 20 0 EHADMM Cc1ccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001574359522 961016622 /nfs/dbraw/zinc/01/66/22/961016622.db2.gz LSVFZCVBXZUAJU-NVXWUHKLSA-N -1 1 342.439 3.740 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000305879506 963159178 /nfs/dbraw/zinc/15/91/78/963159178.db2.gz QWCNJOQRSVNFQH-UHFFFAOYSA-N -1 1 346.383 3.615 20 0 EHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(F)ccc2Br)C1 ZINC000043585419 967525261 /nfs/dbraw/zinc/52/52/61/967525261.db2.gz CWIYFMLJEIFUCN-NSHDSACASA-N -1 1 344.224 3.665 20 0 EHADMM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cc(Cl)ccc1Cl ZINC000536376125 1023091278 /nfs/dbraw/zinc/09/12/78/1023091278.db2.gz XWDUUOPGIDBURK-UHFFFAOYSA-N -1 1 344.210 3.850 20 0 EHADMM CCOc1ccc2nc(Sc3ncc(C(=O)[O-])cc3Cl)[nH]c2c1 ZINC000320672491 970696261 /nfs/dbraw/zinc/69/62/61/970696261.db2.gz NKWYKBWGCPEHMP-UHFFFAOYSA-N -1 1 349.799 3.859 20 0 EHADMM Cc1cc(Br)c(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1Cl ZINC000530166795 974360358 /nfs/dbraw/zinc/36/03/58/974360358.db2.gz VGNXXZJMDVCZTM-GXSJLCMTSA-N -1 1 346.652 3.706 20 0 EHADMM O=C([O-])c1ccc(CN2CCC(Oc3ccccc3Cl)CC2)o1 ZINC000565956623 974592555 /nfs/dbraw/zinc/59/25/55/974592555.db2.gz IROHDYMXJAKFLF-UHFFFAOYSA-N -1 1 335.787 3.675 20 0 EHADMM COc1cccc(-c2nc(CN3CCC[C@](C)(C(=O)[O-])C3)cs2)c1 ZINC000566357198 974606206 /nfs/dbraw/zinc/60/62/06/974606206.db2.gz JYNQMCVVIALAKG-SFHVURJKSA-N -1 1 346.452 3.505 20 0 EHADMM C[C@H](CN(Cc1cc(-c2ccccc2Cl)on1)C1CC1)C(=O)[O-] ZINC000571097167 974723937 /nfs/dbraw/zinc/72/39/37/974723937.db2.gz OQPMPUWQMUHFEE-LLVKDONJSA-N -1 1 334.803 3.680 20 0 EHADMM O=C([O-])Cc1ccccc1CNCc1csc(C(F)(F)F)c1 ZINC000630450104 975264846 /nfs/dbraw/zinc/26/48/46/975264846.db2.gz BNLWLKAVSAROLZ-UHFFFAOYSA-N -1 1 329.343 3.684 20 0 EHADMM O=C([O-])c1cccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1Cl ZINC000634697596 975275141 /nfs/dbraw/zinc/27/51/41/975275141.db2.gz MUBOWAHRTDZDNO-OAHLLOKOSA-N -1 1 349.789 3.831 20 0 EHADMM CC(C)Oc1ncccc1CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591814365 976051162 /nfs/dbraw/zinc/05/11/62/976051162.db2.gz DOFCSGOXXYDABH-UHFFFAOYSA-N -1 1 334.803 3.510 20 0 EHADMM CC(C)COc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683173011 976077218 /nfs/dbraw/zinc/07/72/18/976077218.db2.gz JFWUNJHUQLFBKJ-SFHVURJKSA-N -1 1 349.377 3.915 20 0 EHADMM O=C([O-])C1CCN(Cc2cc3cc(Cl)ccc3nc2Cl)CC1 ZINC000848597054 979473956 /nfs/dbraw/zinc/47/39/56/979473956.db2.gz DRCMXTPVZJLZLX-UHFFFAOYSA-N -1 1 339.222 3.838 20 0 EHADMM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000849231182 979489629 /nfs/dbraw/zinc/48/96/29/979489629.db2.gz VZNAIFBVPXDQBR-SFHVURJKSA-N -1 1 331.387 3.838 20 0 EHADMM Cc1ccc(CNCc2cc(C(=O)[O-])co2)c(C)c1Br ZINC000864504792 979938548 /nfs/dbraw/zinc/93/85/48/979938548.db2.gz OHPKYPLJNQHYEQ-UHFFFAOYSA-N -1 1 338.201 3.647 20 0 EHADMM CCc1oc(CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000902116153 980741710 /nfs/dbraw/zinc/74/17/10/980741710.db2.gz IMADWIDEPAJUOY-JTQLQIEISA-N -1 1 339.338 3.992 20 0 EHADMM CC(C)C[C@H]1COCCN1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902516912 980917522 /nfs/dbraw/zinc/91/75/22/980917522.db2.gz NXGCWXKZDLAHSM-KRWDZBQOSA-N -1 1 343.423 3.892 20 0 EHADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2F)cc1 ZINC000683171266 1014726051 /nfs/dbraw/zinc/72/60/51/1014726051.db2.gz IONWIXJZEOQBMG-INIZCTEOSA-N -1 1 337.778 3.793 20 0 EHADMM CC[C@@H](C)[C@@H](C(=O)[O-])N1Cc2ccc(C)c(Br)c2C1 ZINC001594873283 982192572 /nfs/dbraw/zinc/19/25/72/982192572.db2.gz LXFFNVYPGJIWAH-OTYXRUKQSA-N -1 1 326.234 3.572 20 0 EHADMM CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001589205865 985672545 /nfs/dbraw/zinc/67/25/45/985672545.db2.gz OFLGFHWQQMLOAT-NWDGAFQWSA-N -1 1 330.384 3.656 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H](C)c1csc2ccccc21 ZINC001599960877 985778467 /nfs/dbraw/zinc/77/84/67/985778467.db2.gz PFCRSYAHKLNMBY-JTQLQIEISA-N -1 1 342.420 3.770 20 0 EHADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC001599961299 985787295 /nfs/dbraw/zinc/78/72/95/985787295.db2.gz SAVWNMHKELXXDE-KRWDZBQOSA-N -1 1 340.423 3.725 20 0 EHADMM Cc1[nH]c(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)cc1C(=O)[O-] ZINC001599964248 985865239 /nfs/dbraw/zinc/86/52/39/985865239.db2.gz FQWFPDCJWGMEKU-HNNXBMFYSA-N -1 1 332.375 3.552 20 0 EHADMM Cc1nc(SCc2ccc(C(=O)[O-])cn2)[nH]c1-c1ccccc1 ZINC001599966146 985909849 /nfs/dbraw/zinc/90/98/49/985909849.db2.gz RVXVQVACQJAPCR-UHFFFAOYSA-N -1 1 325.393 3.771 20 0 EHADMM C[C@H]1CN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC(C)(C)C1 ZINC001594547828 986233410 /nfs/dbraw/zinc/23/34/10/986233410.db2.gz PENOEMOPVQSKIN-CYBMUJFWSA-N -1 1 328.412 3.908 20 0 EHADMM CCOc1cc(C(=O)NCc2cccc(C)c2OC)cc(Cl)c1[O-] ZINC000655250180 1015269439 /nfs/dbraw/zinc/26/94/39/1015269439.db2.gz LCOGJKRRDRFOBX-UHFFFAOYSA-N -1 1 349.814 3.691 20 0 EHADMM CC[C@@H](N[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001597291715 987381659 /nfs/dbraw/zinc/38/16/59/987381659.db2.gz SZYVVEOBZCUJTR-SWLSCSKDSA-N -1 1 346.402 3.781 20 0 EHADMM CCc1[nH]c(CN[C@@H](Cc2ccccc2)c2ccccn2)cc1C(=O)[O-] ZINC001597390313 987615421 /nfs/dbraw/zinc/61/54/21/987615421.db2.gz BYAGCPPTNULVOC-FQEVSTJZSA-N -1 1 349.434 3.744 20 0 EHADMM CSCC[C@@H](C)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC001599795413 988090110 /nfs/dbraw/zinc/09/01/10/988090110.db2.gz OZAOKZMYTMAYQS-SNVBAGLBSA-N -1 1 346.290 3.721 20 0 EHADMM CSCc1cccc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001599803018 988207814 /nfs/dbraw/zinc/20/78/14/988207814.db2.gz FTJPGJRMVUIEKI-AWEZNQCLSA-N -1 1 345.464 3.864 20 0 EHADMM CCc1n[nH]c(S[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)n1 ZINC001597736343 989085954 /nfs/dbraw/zinc/08/59/54/989085954.db2.gz SOLLBUNFYAACKX-SNVBAGLBSA-N -1 1 332.212 3.592 20 0 EHADMM CCc1nc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)n[nH]1 ZINC001597736343 989085962 /nfs/dbraw/zinc/08/59/62/989085962.db2.gz SOLLBUNFYAACKX-SNVBAGLBSA-N -1 1 332.212 3.592 20 0 EHADMM CCc1oc(CN2CCC(OC3CCCCC3)CC2)cc1C(=O)[O-] ZINC001597796732 989355461 /nfs/dbraw/zinc/35/54/61/989355461.db2.gz PSTCKNMLPRJCKQ-UHFFFAOYSA-N -1 1 335.444 3.854 20 0 EHADMM CC(C)(C)c1ccncc1CN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001590515617 990129015 /nfs/dbraw/zinc/12/90/15/990129015.db2.gz VOVDMTXKKNONPD-MRXNPFEDSA-N -1 1 332.831 3.948 20 0 EHADMM CC(C)[C@H](NCc1oncc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591033488 991349306 /nfs/dbraw/zinc/34/93/06/991349306.db2.gz SRAXRQFACHXCDM-AWEZNQCLSA-N -1 1 342.317 3.879 20 0 EHADMM COCC1(CNC(=O)c2ccc3ccccc3c2[O-])CCCCC1 ZINC001625821433 1015681518 /nfs/dbraw/zinc/68/15/18/1015681518.db2.gz LTLQVJNVDNLAIH-UHFFFAOYSA-N -1 1 327.424 3.872 20 0 EHADMM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cncc([O-])c1 ZINC000339831310 1015713875 /nfs/dbraw/zinc/71/38/75/1015713875.db2.gz UWLOUQXVBPLLBR-UHFFFAOYSA-N -1 1 338.338 3.758 20 0 EHADMM CC(C)Cc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001591484850 992612831 /nfs/dbraw/zinc/61/28/31/992612831.db2.gz VDFMYEWRYTWFGT-UHFFFAOYSA-N -1 1 337.379 3.712 20 0 EHADMM CCCN(Cc1ccccc1Br)C(=O)c1cncc([O-])c1 ZINC000339884522 1015814208 /nfs/dbraw/zinc/81/42/08/1015814208.db2.gz RUDWQOXPVDXCFT-UHFFFAOYSA-N -1 1 349.228 3.602 20 0 EHADMM COc1ccc2c(c1)C[C@H](C)N(Cc1cc(C(=O)[O-])c(C)o1)[C@H]2C ZINC001599625359 994139922 /nfs/dbraw/zinc/13/99/22/994139922.db2.gz BYOUCGVKBNKITD-RYUDHWBXSA-N -1 1 329.396 3.803 20 0 EHADMM C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593197373 994162342 /nfs/dbraw/zinc/16/23/42/994162342.db2.gz JRXGDTWAHILQGW-NEPJUHHUSA-N -1 1 335.350 3.840 20 0 EHADMM C[C@H](NCc1ccc(Cl)s1)c1ccccc1OCC(=O)[O-] ZINC001593298999 994718224 /nfs/dbraw/zinc/71/82/24/994718224.db2.gz PBHGIWBNHUJEIQ-JTQLQIEISA-N -1 1 325.817 3.716 20 0 EHADMM COc1cccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1Cl ZINC001599674227 994869404 /nfs/dbraw/zinc/86/94/04/994869404.db2.gz LSSUDCIIRHRTEB-SJKOYZFVSA-N -1 1 333.815 3.900 20 0 EHADMM COc1cccc(C[C@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000536687726 1032132484 /nfs/dbraw/zinc/13/24/84/1032132484.db2.gz HKLKYMXFCGMWLF-OAHLLOKOSA-N -1 1 345.826 3.902 20 0 EHADMM C[C@@H](Oc1ccc(CN2CC[C@](F)(c3ccccc3)C2)cc1)C(=O)[O-] ZINC001593615685 995836888 /nfs/dbraw/zinc/83/68/88/995836888.db2.gz OVKPNIVQKQLQPV-FOIQADDNSA-N -1 1 343.398 3.609 20 0 EHADMM C[C@@H](Oc1ccccc1CN(Cc1ccccc1)C1CC1)C(=O)[O-] ZINC001593646258 995982391 /nfs/dbraw/zinc/98/23/91/995982391.db2.gz VZIGQRJXVZQOAQ-OAHLLOKOSA-N -1 1 325.408 3.703 20 0 EHADMM C[C@H](c1ccccc1)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001593709786 996206874 /nfs/dbraw/zinc/20/68/74/996206874.db2.gz FAGIUKSCGWUTQG-CQSZACIVSA-N -1 1 338.407 3.549 20 0 EHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@](C)(CCc2ccccc2)C1 ZINC001593726074 996286929 /nfs/dbraw/zinc/28/69/29/996286929.db2.gz YTXXVXKNKBVVHW-KUHUBIRLSA-N -1 1 328.412 3.779 20 0 EHADMM COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccsc1C(=O)[O-] ZINC001599185993 997026723 /nfs/dbraw/zinc/02/67/23/997026723.db2.gz GMERAUFZMHUXMU-AWEZNQCLSA-N -1 1 339.844 3.919 20 0 EHADMM COc1cc(Cl)c(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1Cl ZINC001599418657 997554520 /nfs/dbraw/zinc/55/45/20/997554520.db2.gz MPSWYYYGOLTKRN-TVQRCGJNSA-N -1 1 332.227 3.687 20 0 EHADMM COCCCCN(Cc1ccccc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599223476 997713011 /nfs/dbraw/zinc/71/30/11/997713011.db2.gz LSWPAYWWYUQOMG-AWEZNQCLSA-N -1 1 348.468 3.831 20 0 EHADMM COCCN(Cc1ccc(C)cc1C)Cc1ccc(C(=O)[O-])cc1F ZINC001599238333 997988814 /nfs/dbraw/zinc/98/88/14/997988814.db2.gz JPWQOTVCOVUYGX-UHFFFAOYSA-N -1 1 345.414 3.789 20 0 EHADMM COc1ccc(-c2cc(CNC3(C(=O)[O-])CCCCCC3)on2)cc1 ZINC001599467562 998390308 /nfs/dbraw/zinc/39/03/08/998390308.db2.gz LYGZHKXMPGXZHA-UHFFFAOYSA-N -1 1 344.411 3.617 20 0 EHADMM COc1ccc(Cl)cc1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599577951 998477326 /nfs/dbraw/zinc/47/73/26/998477326.db2.gz KOUQVENHIHACTH-HNNXBMFYSA-N -1 1 340.206 3.918 20 0 EHADMM COC(=O)c1cccc([C@H](N[C@@H](C)c2ccccc2Cl)C(=O)[O-])c1 ZINC001598997375 998792455 /nfs/dbraw/zinc/79/24/55/998792455.db2.gz ZPIFLZDDEOIICF-ZBEGNZNMSA-N -1 1 347.798 3.603 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)c2cccnc2)c1 ZINC000182917865 1032149890 /nfs/dbraw/zinc/14/98/90/1032149890.db2.gz HEOHQIIIEASXOC-JTQLQIEISA-N -1 1 335.201 3.600 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2sccc2C1 ZINC000180354618 1016896946 /nfs/dbraw/zinc/89/69/46/1016896946.db2.gz LFRQWLHSTAQIQB-UHFFFAOYSA-N -1 1 327.327 3.671 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS[C@H]2CCCC[C@H]21 ZINC000180700855 1016905059 /nfs/dbraw/zinc/90/50/59/1016905059.db2.gz DSTZANQPDJYLIZ-OCCSQVGLSA-N -1 1 345.386 3.911 20 0 EHADMM O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000181942715 1017034797 /nfs/dbraw/zinc/03/47/97/1017034797.db2.gz YEKQMPYIKQMQKB-UHFFFAOYSA-N -1 1 345.761 3.682 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCC3(CC3)C2)c([O-])c1 ZINC000184110469 1032255260 /nfs/dbraw/zinc/25/52/60/1032255260.db2.gz RDVAVKQNTMPOPA-UHFFFAOYSA-N -1 1 346.427 3.755 20 0 EHADMM CCc1ocnc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000081285748 1032282241 /nfs/dbraw/zinc/28/22/41/1032282241.db2.gz ZMQSYQYJHDIHJZ-UHFFFAOYSA-N -1 1 348.815 3.585 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CCSC2(CCCCC2)C1 ZINC000343769248 1032319768 /nfs/dbraw/zinc/31/97/68/1032319768.db2.gz SRAMLSKEMAWJNC-UHFFFAOYSA-N -1 1 327.396 3.562 20 0 EHADMM CCSc1cccc(NC(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000085591311 1032465105 /nfs/dbraw/zinc/46/51/05/1032465105.db2.gz LFFCXHNFFNWNLF-UHFFFAOYSA-N -1 1 349.485 3.709 20 0 EHADMM O=C([O-])C[C@@H](NCc1sccc1Br)c1cccs1 ZINC000135502923 1017182249 /nfs/dbraw/zinc/18/22/49/1017182249.db2.gz HBDZITNGFCFTCT-SECBINFHSA-N -1 1 346.271 3.878 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000182928138 1017217082 /nfs/dbraw/zinc/21/70/82/1017217082.db2.gz QWYVZXKCYCEMON-UHFFFAOYSA-N -1 1 338.205 3.562 20 0 EHADMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1nccs1 ZINC000683571897 1017436111 /nfs/dbraw/zinc/43/61/11/1017436111.db2.gz HAFGSVKXUUFQBB-UHFFFAOYSA-N -1 1 340.792 3.706 20 0 EHADMM CCOc1cc(-c2noc([C@@H]3CCCOCC3)n2)cc(Cl)c1[O-] ZINC000377479153 1017869547 /nfs/dbraw/zinc/86/95/47/1017869547.db2.gz OJMTUPDYJJKUCE-SNVBAGLBSA-N -1 1 338.791 3.778 20 0 EHADMM COC[C@H]([N-]c1nc(-c2cccc(OC)c2)no1)c1ccccc1 ZINC000091981364 1032749841 /nfs/dbraw/zinc/74/98/41/1032749841.db2.gz XRIBQXIOLJYLGY-INIZCTEOSA-N -1 1 325.368 3.545 20 0 EHADMM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cncc([O-])c1 ZINC000377883093 1018510983 /nfs/dbraw/zinc/51/09/83/1018510983.db2.gz GWBFXZYFWXEXNY-UHFFFAOYSA-N -1 1 333.391 3.512 20 0 EHADMM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ocnc1C(F)F ZINC000602287859 1032770485 /nfs/dbraw/zinc/77/04/85/1032770485.db2.gz ITYQIMSSVMBXDM-UHFFFAOYSA-N -1 1 342.323 3.590 20 0 EHADMM Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc([O-])c(F)cc3F)c12 ZINC001625893361 1018587123 /nfs/dbraw/zinc/58/71/23/1018587123.db2.gz HPFAVALVYLAHSY-UHFFFAOYSA-N -1 1 347.321 3.891 20 0 EHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000433614738 1019445703 /nfs/dbraw/zinc/44/57/03/1019445703.db2.gz ATNVFKAUUDKAHP-UHFFFAOYSA-N -1 1 335.400 3.836 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000032097127 1032838139 /nfs/dbraw/zinc/83/81/39/1032838139.db2.gz PCPRWJYIYFYLAB-UHFFFAOYSA-N -1 1 346.383 3.954 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1F ZINC000513453497 1019685835 /nfs/dbraw/zinc/68/58/35/1019685835.db2.gz WSYGZOYMEFCYQR-UHFFFAOYSA-N -1 1 341.379 3.861 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cccc3ccccc32)[nH]nc1C1CC1 ZINC000760323609 1032857769 /nfs/dbraw/zinc/85/77/69/1032857769.db2.gz UFMZKBYTZVHZGS-UHFFFAOYSA-N -1 1 327.409 3.550 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)c(C)o1 ZINC000345204547 1020058734 /nfs/dbraw/zinc/05/87/34/1020058734.db2.gz MDUYRPMHNSOAKC-UHFFFAOYSA-N -1 1 337.445 3.543 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1C ZINC000055638421 1020063777 /nfs/dbraw/zinc/06/37/77/1020063777.db2.gz QMPOPLLCZZNTHF-UHFFFAOYSA-N -1 1 345.342 3.845 20 0 EHADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(F)c(Cl)c1 ZINC000060353909 1020137939 /nfs/dbraw/zinc/13/79/39/1020137939.db2.gz CLHKBJWMOBAVLA-UHFFFAOYSA-N -1 1 342.804 3.890 20 0 EHADMM CCSc1ccc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)cn1 ZINC000340941351 1020657504 /nfs/dbraw/zinc/65/75/04/1020657504.db2.gz WYGCGSOQQNRBFO-UHFFFAOYSA-N -1 1 344.465 3.628 20 0 EHADMM O=C(Nc1ccc(F)c(F)c1[O-])c1cn[nH]c1-c1cccc(Cl)c1 ZINC001625987920 1032967001 /nfs/dbraw/zinc/96/70/01/1032967001.db2.gz IISRYYFNQPGEOU-UHFFFAOYSA-N -1 1 349.724 3.966 20 0 EHADMM Cc1ccccc1OCCCN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000436816570 1021243868 /nfs/dbraw/zinc/24/38/68/1021243868.db2.gz FJKBSQQVFDZGJF-UHFFFAOYSA-N -1 1 333.815 3.895 20 0 EHADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000436818848 1021247187 /nfs/dbraw/zinc/24/71/87/1021247187.db2.gz CCDCRXXFQGAOJF-IAQYHMDHSA-N -1 1 325.836 3.617 20 0 EHADMM COCCN(C(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCSC1 ZINC000436807615 1021253139 /nfs/dbraw/zinc/25/31/39/1021253139.db2.gz JHMJGUIZSUCVGT-INIZCTEOSA-N -1 1 345.464 3.530 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1C ZINC000439243809 1021279288 /nfs/dbraw/zinc/27/92/88/1021279288.db2.gz FYHOXSLVDJUIIK-UHFFFAOYSA-N -1 1 345.449 3.623 20 0 EHADMM CC[C@H]1CN(C(=O)c2ccc(O)cc2[O-])c2cccc(Cl)c2O1 ZINC000436838802 1021281978 /nfs/dbraw/zinc/28/19/78/1021281978.db2.gz LPJJKLNNLFRPFK-NSHDSACASA-N -1 1 333.771 3.569 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c([O-])c1 ZINC000436845027 1021288894 /nfs/dbraw/zinc/28/88/94/1021288894.db2.gz BKPSQGMYWYDVMQ-UHFFFAOYSA-N -1 1 336.347 3.840 20 0 EHADMM C[C@@H](OCCCNC(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000436859113 1021295477 /nfs/dbraw/zinc/29/54/77/1021295477.db2.gz XDXSZUWDRUJZIQ-CYBMUJFWSA-N -1 1 333.815 3.943 20 0 EHADMM CC(C)COc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1Cl ZINC000436861300 1021299046 /nfs/dbraw/zinc/29/90/46/1021299046.db2.gz SJVLQIHLVDMAEJ-UHFFFAOYSA-N -1 1 347.798 3.902 20 0 EHADMM CC(C)Oc1ccccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656766419 1021299769 /nfs/dbraw/zinc/29/97/69/1021299769.db2.gz RMSZUMUEXGKCIG-SQNIBIBYSA-N -1 1 331.456 3.939 20 0 EHADMM O=C(NCCc1cc2ccccc2s1)c1c(F)ccc([O-])c1F ZINC000506536006 1021306025 /nfs/dbraw/zinc/30/60/25/1021306025.db2.gz WKXTUJARIWMKNC-UHFFFAOYSA-N -1 1 333.359 3.858 20 0 EHADMM COc1cccc(CCc2nc(-c3ccc([O-])c(F)c3)no2)c1F ZINC000436871257 1021312144 /nfs/dbraw/zinc/31/21/44/1021312144.db2.gz GUMKUUPNOHSELD-UHFFFAOYSA-N -1 1 332.306 3.514 20 0 EHADMM [O-]c1c(-c2nc(Cc3cn4ccccc4n3)no2)ccc2ccccc21 ZINC000436884469 1021334790 /nfs/dbraw/zinc/33/47/90/1021334790.db2.gz CYXHEDKQURRTAR-UHFFFAOYSA-N -1 1 342.358 3.834 20 0 EHADMM O=c1ccnc(C(=Cc2cc(F)c([O-])c(F)c2)Cc2ccccc2)[nH]1 ZINC000436888594 1021340981 /nfs/dbraw/zinc/34/09/81/1021340981.db2.gz OEBXSFDJRPEHIY-ZROIWOOFSA-N -1 1 340.329 3.537 20 0 EHADMM C[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccs1 ZINC000436916842 1021373357 /nfs/dbraw/zinc/37/33/57/1021373357.db2.gz VONUGRUARAYLKE-MRVPVSSYSA-N -1 1 348.815 3.634 20 0 EHADMM C[C@@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccs1 ZINC000436916842 1021373373 /nfs/dbraw/zinc/37/33/73/1021373373.db2.gz VONUGRUARAYLKE-MRVPVSSYSA-N -1 1 348.815 3.634 20 0 EHADMM CCNc1ccc(Cl)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436951079 1021396592 /nfs/dbraw/zinc/39/65/92/1021396592.db2.gz PGWMJPPWVRPZEH-UHFFFAOYSA-N -1 1 347.802 3.688 20 0 EHADMM Cn1nccc1Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436933961 1021397286 /nfs/dbraw/zinc/39/72/86/1021397286.db2.gz JJMFNIDRPNREEI-UHFFFAOYSA-N -1 1 348.362 3.559 20 0 EHADMM CC[C@@H](C)Oc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)ccn1 ZINC000436942311 1021403990 /nfs/dbraw/zinc/40/39/90/1021403990.db2.gz HRDLULQXQHCZMD-SNVBAGLBSA-N -1 1 329.331 3.821 20 0 EHADMM CC(C)(CNC(=O)C(=O)c1ccc([O-])cc1)Cc1cccc(Cl)c1 ZINC000436943669 1021406516 /nfs/dbraw/zinc/40/65/16/1021406516.db2.gz NEJYJUJQORAELL-UHFFFAOYSA-N -1 1 345.826 3.613 20 0 EHADMM CCCOc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1OC ZINC000436944871 1021406559 /nfs/dbraw/zinc/40/65/59/1021406559.db2.gz RRWHXESMJIAZSZ-LBPRGKRZSA-N -1 1 347.386 3.820 20 0 EHADMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436964750 1021413055 /nfs/dbraw/zinc/41/30/55/1021413055.db2.gz SFBCWXZUHOOXHE-RTBURBONSA-N -1 1 337.419 3.760 20 0 EHADMM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccc([O-])cc1F ZINC000436954411 1021419470 /nfs/dbraw/zinc/41/94/70/1021419470.db2.gz GMQPWAFMTOZKSQ-AWEZNQCLSA-N -1 1 341.304 3.997 20 0 EHADMM [O-]c1ccc(-c2nc3c(ccc(F)c3F)[nH]2)cc1Br ZINC000436982760 1021438459 /nfs/dbraw/zinc/43/84/59/1021438459.db2.gz UVGMRTVQAJFKEN-UHFFFAOYSA-N -1 1 325.112 3.976 20 0 EHADMM CC(C)[C@@H]1N(C(=O)c2cc(Br)ccc2[O-])CC1(C)C ZINC000437007792 1021464152 /nfs/dbraw/zinc/46/41/52/1021464152.db2.gz WVTLALOBCYILAZ-ZDUSSCGKSA-N -1 1 326.234 3.661 20 0 EHADMM CCc1nc(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)[n-]c(=O)c1C ZINC000519619761 1021577669 /nfs/dbraw/zinc/57/76/69/1021577669.db2.gz VRLCDJDJINTZAR-ZDUSSCGKSA-N -1 1 345.468 3.789 20 0 EHADMM COCCN(Cc1cccs1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000581732012 1021642792 /nfs/dbraw/zinc/64/27/92/1021642792.db2.gz ZPCKPTWYODBQQJ-UHFFFAOYSA-N -1 1 339.844 3.748 20 0 EHADMM Cc1cnc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)[n-]c1=O ZINC000581737470 1021653543 /nfs/dbraw/zinc/65/35/43/1021653543.db2.gz IXVAKFYYZJXJBF-GFCCVEGCSA-N -1 1 331.441 3.733 20 0 EHADMM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000437216626 1021657032 /nfs/dbraw/zinc/65/70/32/1021657032.db2.gz VBHYETZMPMDMCH-UHFFFAOYSA-N -1 1 338.816 3.785 20 0 EHADMM CCC[C@@H](C(=O)[O-])N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000516776644 1021734726 /nfs/dbraw/zinc/73/47/26/1021734726.db2.gz BVSLIYNWCZUZPK-KBPBESRZSA-N -1 1 332.227 3.620 20 0 EHADMM O=C([O-])C[C@H](NCc1cscc1Br)c1cccs1 ZINC000310771256 1022119016 /nfs/dbraw/zinc/11/90/16/1022119016.db2.gz UAYRMMNSRPGRJQ-JTQLQIEISA-N -1 1 346.271 3.878 20 0 EHADMM CCc1nc(CNCc2cccc(-c3ccccn3)c2)ccc1C(=O)[O-] ZINC000426645546 1022138626 /nfs/dbraw/zinc/13/86/26/1022138626.db2.gz DYYINPHYVZBLIU-UHFFFAOYSA-N -1 1 347.418 3.694 20 0 EHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000188412783 1022225478 /nfs/dbraw/zinc/22/54/78/1022225478.db2.gz GIJLAFGORUEXRA-UHFFFAOYSA-N -1 1 335.450 3.534 20 0 EHADMM O=C([O-])CCCCCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000520416370 1022234663 /nfs/dbraw/zinc/23/46/63/1022234663.db2.gz ABVCRKRJZDNELV-OAHLLOKOSA-N -1 1 345.361 3.724 20 0 EHADMM C[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC[C@@H]1C ZINC000519548965 1022330054 /nfs/dbraw/zinc/33/00/54/1022330054.db2.gz PGYKSVBSDCTBQE-STQMWFEESA-N -1 1 330.453 3.986 20 0 EHADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](c2ccccc2)O1 ZINC000143569466 1033048987 /nfs/dbraw/zinc/04/89/87/1033048987.db2.gz FIRPHPJYGPMJDK-YVEFUNNKSA-N -1 1 331.799 3.648 20 0 EHADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC000476198650 1033054777 /nfs/dbraw/zinc/05/47/77/1033054777.db2.gz SHNRYLOVBXQVAN-UHFFFAOYSA-N -1 1 332.469 3.985 20 0 EHADMM O=S(=O)([N-]Cc1ccoc1)c1c(Cl)cc(Cl)cc1Cl ZINC000049001787 1022428247 /nfs/dbraw/zinc/42/82/47/1022428247.db2.gz WAZAMCVRAYKZMR-UHFFFAOYSA-N -1 1 340.615 3.718 20 0 EHADMM O=C(N[C@H]1CCc2ccccc21)c1ccc(Br)cc1[O-] ZINC000049447102 1022593277 /nfs/dbraw/zinc/59/32/77/1022593277.db2.gz WIGUNOHIXNJBKM-AWEZNQCLSA-N -1 1 332.197 3.572 20 0 EHADMM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cccc(Cl)c1Cl ZINC000510506637 1022620225 /nfs/dbraw/zinc/62/02/25/1022620225.db2.gz AWKCSOWVHSNGKB-UHFFFAOYSA-N -1 1 348.173 3.614 20 0 EHADMM Cc1cc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(F)cc1F ZINC000562950670 1022972250 /nfs/dbraw/zinc/97/22/50/1022972250.db2.gz WGIVPCDPOLHADP-UHFFFAOYSA-N -1 1 336.363 3.621 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1Br ZINC000438811971 1023023094 /nfs/dbraw/zinc/02/30/94/1023023094.db2.gz QVTCGDHIPIPRTQ-UHFFFAOYSA-N -1 1 340.242 3.867 20 0 EHADMM CCN(CC(=O)Nc1cccc(OC)c1)Cc1cccc([O-])c1Cl ZINC000506944248 1023042924 /nfs/dbraw/zinc/04/29/24/1023042924.db2.gz KMNWAPOYPDRHJS-UHFFFAOYSA-N -1 1 348.830 3.515 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Br)s2)o1 ZINC000426806376 1023047073 /nfs/dbraw/zinc/04/70/73/1023047073.db2.gz BTZBALADRNJBHV-SNVBAGLBSA-N -1 1 344.230 3.718 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[nH]n1 ZINC000438985833 1023192348 /nfs/dbraw/zinc/19/23/48/1023192348.db2.gz ONXIDURUWHUQHX-UHFFFAOYSA-N -1 1 334.228 3.641 20 0 EHADMM C[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1cccc(Cl)c1 ZINC000439113209 1023275165 /nfs/dbraw/zinc/27/51/65/1023275165.db2.gz BVZFRYIKMTVRRB-JTQLQIEISA-N -1 1 331.828 3.956 20 0 EHADMM CCOc1cc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)cc(Cl)c1[O-] ZINC000424978537 1023276968 /nfs/dbraw/zinc/27/69/68/1023276968.db2.gz XADICTSGJCCNJY-YJBOKZPZSA-N -1 1 349.789 3.811 20 0 EHADMM CC(C)n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000343295670 1023289181 /nfs/dbraw/zinc/28/91/81/1023289181.db2.gz HZRMFLQBFIAGFD-MLGOLLRUSA-N -1 1 349.818 3.539 20 0 EHADMM CCC[C@@H](C)[C@@H]1CCCN1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000133125797 1023292125 /nfs/dbraw/zinc/29/21/25/1023292125.db2.gz HZBBVZVFTNQSPX-DYVFJYSZSA-N -1 1 340.471 3.854 20 0 EHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000471965282 1023462544 /nfs/dbraw/zinc/46/25/44/1023462544.db2.gz QSWHGPNVKPVKEG-LBPRGKRZSA-N -1 1 349.477 3.841 20 0 EHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000471989614 1023924905 /nfs/dbraw/zinc/92/49/05/1023924905.db2.gz UVSUAMQGIJBXHT-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000092760440 1024007837 /nfs/dbraw/zinc/00/78/37/1024007837.db2.gz GAWSZOBLRPVTSO-AWEZNQCLSA-N -1 1 335.403 3.954 20 0 EHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(NC(N)=O)cc1 ZINC000093964924 1024125827 /nfs/dbraw/zinc/12/58/27/1024125827.db2.gz UTLOCTBCATVJIX-GFCCVEGCSA-N -1 1 349.390 3.527 20 0 EHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(CC(F)(F)F)CC1 ZINC000614599817 1024166572 /nfs/dbraw/zinc/16/65/72/1024166572.db2.gz ASBPXDAHRCDELV-UHFFFAOYSA-N -1 1 338.329 3.745 20 0 EHADMM CN(Cc1cccc(F)c1)C(=O)c1ccc(Br)cc1[O-] ZINC000044490532 1033497406 /nfs/dbraw/zinc/49/74/06/1033497406.db2.gz KXAROMOSBNCTSH-UHFFFAOYSA-N -1 1 338.176 3.566 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(C)s1 ZINC000032531815 1024271080 /nfs/dbraw/zinc/27/10/80/1024271080.db2.gz NBROCEBQWRRTOB-UHFFFAOYSA-N -1 1 346.271 3.928 20 0 EHADMM CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001211889358 1024310603 /nfs/dbraw/zinc/31/06/03/1024310603.db2.gz BDZUTDPOKPDDDK-NEPJUHHUSA-N -1 1 325.405 3.677 20 0 EHADMM CSc1ccc([O-])c(C(=O)Nc2nc3c(s2)CSCC3)c1 ZINC000614706593 1024331910 /nfs/dbraw/zinc/33/19/10/1024331910.db2.gz ONTKVCIKIFJJPA-UHFFFAOYSA-N -1 1 338.479 3.612 20 0 EHADMM C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000474199178 1024567733 /nfs/dbraw/zinc/56/77/33/1024567733.db2.gz PMUWPJASAJDNMZ-QWRGUYRKSA-N -1 1 343.370 3.574 20 0 EHADMM COc1ccc([C@H](C)CCNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000281069738 1024615746 /nfs/dbraw/zinc/61/57/46/1024615746.db2.gz ZPCDTKADEXLRLY-LLVKDONJSA-N -1 1 335.350 3.603 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)c([O-])c1 ZINC000729525510 1024619615 /nfs/dbraw/zinc/61/96/15/1024619615.db2.gz DIJQJWPVTNYGCI-UHFFFAOYSA-N -1 1 337.379 3.660 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)cc2cccnc21 ZINC000427654358 1024686793 /nfs/dbraw/zinc/68/67/93/1024686793.db2.gz NDUHHUXPDIPTCY-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM CCOc1cc(C(=O)N2CC[C@@H](C)C(F)(F)C2)cc(Cl)c1[O-] ZINC000427666047 1024713593 /nfs/dbraw/zinc/71/35/93/1024713593.db2.gz ZORIZCXUMPOKMS-SECBINFHSA-N -1 1 333.762 3.562 20 0 EHADMM CCCCc1ccc(C(=O)CCC(=O)[N-]OCc2ccccn2)cc1 ZINC000909526750 1024727138 /nfs/dbraw/zinc/72/71/38/1024727138.db2.gz PWUWSBODKHEVDK-UHFFFAOYSA-N -1 1 340.423 3.635 20 0 EHADMM COC(=O)c1[n-]c(=N[C@@H](C)c2cccc(C(F)(F)F)c2)sc1C ZINC000427981481 1024908787 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COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)ccc1F ZINC000436175919 1025447800 /nfs/dbraw/zinc/44/78/00/1025447800.db2.gz CBSXWPWYNBTRKI-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CC[C@H](CC(F)(F)F)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442802192 1025494972 /nfs/dbraw/zinc/49/49/72/1025494972.db2.gz PBSRCCYIRNFQGR-MRVPVSSYSA-N -1 1 325.714 3.515 20 0 EHADMM C[C@@H]1C[C@H](C)CN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000563276716 1025527585 /nfs/dbraw/zinc/52/75/85/1025527585.db2.gz CEYQAVLLEGCRLL-ISTVAULSSA-N -1 1 344.224 3.692 20 0 EHADMM COc1cc(C(=O)N2CCCc3ccc(C)cc32)cc(Cl)c1[O-] ZINC000442977054 1025616443 /nfs/dbraw/zinc/61/64/43/1025616443.db2.gz ODUNGKULEIAXTF-UHFFFAOYSA-N -1 1 331.799 3.956 20 0 EHADMM COc1cc(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000442961712 1025624314 /nfs/dbraw/zinc/62/43/14/1025624314.db2.gz ZOPFBIXFZCCNJA-WCQYABFASA-N -1 1 325.836 3.999 20 0 EHADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(F)c(F)c(F)c2F)c(F)c1 ZINC000347191506 1025655928 /nfs/dbraw/zinc/65/59/28/1025655928.db2.gz FBDJIBKXQDCNLK-UHFFFAOYSA-N -1 1 347.214 3.976 20 0 EHADMM Cc1ccccc1CC1CN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC001167558846 1025695396 /nfs/dbraw/zinc/69/53/96/1025695396.db2.gz MZCOPLMUUUHJHA-UHFFFAOYSA-N -1 1 332.403 3.564 20 0 EHADMM COc1ccc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)cc1 ZINC000443107902 1025719948 /nfs/dbraw/zinc/71/99/48/1025719948.db2.gz UOSBKCKWLWUPMY-UHFFFAOYSA-N -1 1 332.743 3.780 20 0 EHADMM C[C@@H]1CCCC[C@H]1OCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000522831113 1025732360 /nfs/dbraw/zinc/73/23/60/1025732360.db2.gz JEWNBNOCBYCUEY-NXEZZACHSA-N -1 1 336.379 3.888 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)c1 ZINC000281950805 1025772389 /nfs/dbraw/zinc/77/23/89/1025772389.db2.gz JQNRFHBLQXGMAK-UHFFFAOYSA-N -1 1 348.468 3.844 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(C3CCC3)c2)c1 ZINC000436506855 1025797620 /nfs/dbraw/zinc/79/76/20/1025797620.db2.gz UZNFIALDMHKDTQ-UHFFFAOYSA-N -1 1 325.364 3.699 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000436519869 1025816919 /nfs/dbraw/zinc/81/69/19/1025816919.db2.gz RYQOOSHUEJOWDY-STQMWFEESA-N -1 1 345.782 3.574 20 0 EHADMM [O-]c1ccc(-c2noc(COc3ccc(Cl)c(F)c3)n2)cc1F ZINC000436520894 1025820352 /nfs/dbraw/zinc/82/03/52/1025820352.db2.gz JSLBECZECIBSRG-UHFFFAOYSA-N -1 1 338.697 3.953 20 0 EHADMM CCC[C@@H]1SCCN1C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436522729 1025823168 /nfs/dbraw/zinc/82/31/68/1025823168.db2.gz NKHCNAYQUHQFOD-ZDUSSCGKSA-N -1 1 329.849 3.760 20 0 EHADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436516347 1025845639 /nfs/dbraw/zinc/84/56/39/1025845639.db2.gz UCKUDYSTOVZPLF-GHMZBOCLSA-N -1 1 326.234 3.663 20 0 EHADMM Cc1ccc([C@H]2CSCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436545234 1025849013 /nfs/dbraw/zinc/84/90/13/1025849013.db2.gz RMQXJIJALORIDZ-MRXNPFEDSA-N -1 1 331.412 3.770 20 0 EHADMM COc1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c([O-])c1 ZINC000436552943 1025858875 /nfs/dbraw/zinc/85/88/75/1025858875.db2.gz 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CC(=O)c1ccc([O-])c(NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)c1 ZINC000436681192 1026034701 /nfs/dbraw/zinc/03/47/01/1026034701.db2.gz QSLLWNLDFCNBLY-UHFFFAOYSA-N -1 1 349.390 3.854 20 0 EHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc2c(c1)OCO2 ZINC000436698208 1026057801 /nfs/dbraw/zinc/05/78/01/1026057801.db2.gz PBGNJYDINFVSJM-LBPRGKRZSA-N -1 1 335.359 3.765 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc2c(c1)OCO2 ZINC000436698207 1026058667 /nfs/dbraw/zinc/05/86/67/1026058667.db2.gz PBGNJYDINFVSJM-GFCCVEGCSA-N -1 1 335.359 3.765 20 0 EHADMM CC(C)c1ccc(CN(C(=O)C(=O)c2ccc([O-])cc2)C2CC2)cc1 ZINC000436702015 1026062794 /nfs/dbraw/zinc/06/27/94/1026062794.db2.gz COVGNSLMMFZQKF-UHFFFAOYSA-N -1 1 337.419 3.890 20 0 EHADMM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccccc1[O-] ZINC000436710762 1026079013 /nfs/dbraw/zinc/07/90/13/1026079013.db2.gz YMPDPOUBZZYUQT-UHFFFAOYSA-N -1 1 346.358 3.970 20 0 EHADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1c(F)cncc1F ZINC000436713859 1026081724 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CSc1ccc(-c2nsc([N-]C(=O)c3cscn3)n2)cc1 ZINC000075324542 1027097223 /nfs/dbraw/zinc/09/72/23/1027097223.db2.gz SLKWBIMEFRCDPH-UHFFFAOYSA-N -1 1 334.451 3.636 20 0 EHADMM O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1[O-] ZINC000531755752 1027281674 /nfs/dbraw/zinc/28/16/74/1027281674.db2.gz IYANTMSBDVSFQL-UHFFFAOYSA-N -1 1 328.368 3.836 20 0 EHADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000128625643 1027462088 /nfs/dbraw/zinc/46/20/88/1027462088.db2.gz HNRXFXIWSMCUJF-UHFFFAOYSA-N -1 1 336.722 3.555 20 0 EHADMM CC(C)(C)OCc1cc(-c2nc(-c3ccc([O-])cc3F)no2)no1 ZINC000420493283 1027561019 /nfs/dbraw/zinc/56/10/19/1027561019.db2.gz NNULTYXVEFCDFV-UHFFFAOYSA-N -1 1 333.319 3.551 20 0 EHADMM C[C@@H](c1cccc(Br)c1)S(=O)(=O)c1ccc([O-])cc1 ZINC000129518689 1027570163 /nfs/dbraw/zinc/57/01/63/1027570163.db2.gz RLBWREAUOWYIBH-JTQLQIEISA-N -1 1 341.226 3.690 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)[C@H]1CCCC(F)(F)C1 ZINC000503543826 1027863452 /nfs/dbraw/zinc/86/34/52/1027863452.db2.gz TXUXGMUJBLBXER-QMMMGPOBSA-N -1 1 345.802 3.978 20 0 EHADMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000134683155 1028137518 /nfs/dbraw/zinc/13/75/18/1028137518.db2.gz SVVBTQCKLOYBHN-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000421254195 1028218754 /nfs/dbraw/zinc/21/87/54/1028218754.db2.gz ZDUVGJHPKYSIRV-INIZCTEOSA-N -1 1 348.468 3.551 20 0 EHADMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)n1 ZINC000121044095 1028235456 /nfs/dbraw/zinc/23/54/56/1028235456.db2.gz DSMUWNPRCGMZJT-UHFFFAOYSA-N -1 1 339.852 3.655 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cccc4cc[nH]c43)[nH][n-]2)c1 ZINC000444809367 1028281599 /nfs/dbraw/zinc/28/15/99/1028281599.db2.gz CFIDYJLWJRRACI-UHFFFAOYSA-N -1 1 334.354 3.680 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1occ2c1CCC2 ZINC000354325160 1028390082 /nfs/dbraw/zinc/39/00/82/1028390082.db2.gz SMLLEIVJSZIKOA-UHFFFAOYSA-N -1 1 333.800 3.548 20 0 EHADMM O=C([O-])c1cccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000238064300 1028676046 /nfs/dbraw/zinc/67/60/46/1028676046.db2.gz XXVIYJSTJOEJHG-UHFFFAOYSA-N -1 1 347.330 3.773 20 0 EHADMM O=S(=O)([N-][C@H]1CCCc2c(F)cccc21)c1sccc1Cl ZINC001212021355 1028727918 /nfs/dbraw/zinc/72/79/18/1028727918.db2.gz OZXLCHQELFZTMA-ZDUSSCGKSA-N -1 1 345.848 3.897 20 0 EHADMM [O-]c1ccc(-c2noc(COCCc3ccccc3)n2)c(Cl)c1 ZINC000445446575 1028806212 /nfs/dbraw/zinc/80/62/12/1028806212.db2.gz FBHNWGWWXLACQG-UHFFFAOYSA-N -1 1 330.771 3.855 20 0 EHADMM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000424114705 1028812913 /nfs/dbraw/zinc/81/29/13/1028812913.db2.gz SACKODWQOBFSSZ-KRWDZBQOSA-N -1 1 347.418 3.537 20 0 EHADMM CCOc1ncc(-c2nc(-c3ccc([O-])cc3F)no2)cc1Cl ZINC000445455025 1028824898 /nfs/dbraw/zinc/82/48/98/1028824898.db2.gz IRTBGTYHCLRALT-UHFFFAOYSA-N -1 1 335.722 3.695 20 0 EHADMM COc1ccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)cc1OC ZINC000445459773 1028830085 /nfs/dbraw/zinc/83/00/85/1028830085.db2.gz HGHXFVPGKLBVGQ-YWEYNIOJSA-N -1 1 342.326 3.769 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc4c(c(Cl)c3)OCO4)n2)c(F)c1 ZINC000445461008 1028832964 /nfs/dbraw/zinc/83/29/64/1028832964.db2.gz DRNQLLJLLJEJMW-UHFFFAOYSA-N -1 1 334.690 3.630 20 0 EHADMM CC(=O)c1cccc(O[C@@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445479334 1028837177 /nfs/dbraw/zinc/83/71/77/1028837177.db2.gz BKFRMCIDSMADIS-NSHDSACASA-N -1 1 342.326 3.924 20 0 EHADMM Cc1cccc(OCCc2nc(-c3ccc([O-])c(F)c3)no2)c1C ZINC000445479156 1028837278 /nfs/dbraw/zinc/83/72/78/1028837278.db2.gz UZFHQBAICRMQAP-UHFFFAOYSA-N -1 1 328.343 3.820 20 0 EHADMM CC(C)(C)c1nc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cs1 ZINC000445479761 1028837829 /nfs/dbraw/zinc/83/78/29/1028837829.db2.gz HVMOKBKTCPHOTJ-UHFFFAOYSA-N -1 1 333.388 3.926 20 0 EHADMM COc1ccccc1C(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479229 1028838523 /nfs/dbraw/zinc/83/85/23/1028838523.db2.gz FQTOSJABSSECCI-UHFFFAOYSA-N -1 1 328.343 3.916 20 0 EHADMM Cc1cc2c(cc1C)O[C@@H](c1nc(-c3ccc([O-])c(F)c3)no1)C2 ZINC000445483083 1028845320 /nfs/dbraw/zinc/84/53/20/1028845320.db2.gz VCPGKJPTJSYHIO-MRXNPFEDSA-N -1 1 326.327 3.874 20 0 EHADMM COc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000153808259 1028895497 /nfs/dbraw/zinc/89/54/97/1028895497.db2.gz VVIVZLOSMQCTJB-ZIAGYGMSSA-N -1 1 331.799 3.588 20 0 EHADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153955459 1028962923 /nfs/dbraw/zinc/96/29/23/1028962923.db2.gz TYEOKECTCSRQBQ-OCCSQVGLSA-N -1 1 343.876 3.848 20 0 EHADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)cnn1CC(C)C ZINC000278124052 1029175785 /nfs/dbraw/zinc/17/57/85/1029175785.db2.gz JROHWDWIBQSKOF-UHFFFAOYSA-N -1 1 332.791 3.924 20 0 EHADMM CN(CCc1cccs1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271994836 1029265749 /nfs/dbraw/zinc/26/57/49/1029265749.db2.gz MBPVAALUJKIDOV-UHFFFAOYSA-N -1 1 329.343 3.787 20 0 EHADMM Cc1cc(C)nc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000446782296 1029798686 /nfs/dbraw/zinc/79/86/86/1029798686.db2.gz BLBTWPNTWVHIJY-UHFFFAOYSA-N -1 1 345.251 3.947 20 0 EHADMM COC(=O)[C@@H]1CCC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000278250619 1029807591 /nfs/dbraw/zinc/80/75/91/1029807591.db2.gz TXFBSVRFVNMDIY-NXEZZACHSA-N -1 1 336.775 3.542 20 0 EHADMM COc1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)ccc1F ZINC000447264484 1030053942 /nfs/dbraw/zinc/05/39/42/1030053942.db2.gz BOPMPZNYZVKDMY-UHFFFAOYSA-N -1 1 335.400 3.903 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)ccc1F ZINC000481863955 1030056766 /nfs/dbraw/zinc/05/67/66/1030056766.db2.gz SIDSRPRJFDESIC-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(F)c1 ZINC000481883768 1030098299 /nfs/dbraw/zinc/09/82/99/1030098299.db2.gz RSPWNRKBCIBREK-UHFFFAOYSA-N -1 1 341.791 3.523 20 0 EHADMM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1[O-] ZINC000121150758 1030173314 /nfs/dbraw/zinc/17/33/14/1030173314.db2.gz OOWVTPCWTFGTCC-UHFFFAOYSA-N -1 1 338.285 3.622 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000447779116 1030476657 /nfs/dbraw/zinc/47/66/57/1030476657.db2.gz 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346.452 3.609 20 0 EHADMM COC1([C@H](NCc2ccc(-c3cccc(F)c3)s2)C(=O)[O-])CCC1 ZINC000904051220 1031673948 /nfs/dbraw/zinc/67/39/48/1031673948.db2.gz TZPDDWYHIPPPED-MRXNPFEDSA-N -1 1 349.427 3.666 20 0 EHADMM COCCCOc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445455351 1031872647 /nfs/dbraw/zinc/87/26/47/1031872647.db2.gz DCIZRSSJSFUZFD-UHFFFAOYSA-N -1 1 344.342 3.664 20 0 EHADMM COCCCOc1ccccc1NC(=O)c1cc(SC)ccc1[O-] ZINC000667033726 1031934887 /nfs/dbraw/zinc/93/48/87/1031934887.db2.gz YSFBEEXNWYSENV-UHFFFAOYSA-N -1 1 347.436 3.782 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000181120326 1031949935 /nfs/dbraw/zinc/94/99/35/1031949935.db2.gz MIPPXPBBHUFZDK-LBPRGKRZSA-N -1 1 340.354 3.692 20 0 EHADMM [O-]c1ccc(-c2noc(C3=Cc4cc(F)ccc4OC3)n2)c(F)c1 ZINC000445463445 1032024707 /nfs/dbraw/zinc/02/47/07/1032024707.db2.gz PXGYTOLNEMWLTJ-UHFFFAOYSA-N -1 1 328.274 3.653 20 0 EHADMM O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc([O-])cc1F ZINC000181867918 1032039797 /nfs/dbraw/zinc/03/97/97/1032039797.db2.gz OWQQDGQXHOAALZ-UHFFFAOYSA-N -1 1 348.337 3.518 20 0 EHADMM O=C(Nc1ccc(-c2ccccc2)cn1)c1c(F)ccc([O-])c1F ZINC000685424648 1033314898 /nfs/dbraw/zinc/31/48/98/1033314898.db2.gz BNUXPJFXLRCDBA-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000685434834 1033323862 /nfs/dbraw/zinc/32/38/62/1033323862.db2.gz PFNJXQVZAQGWQN-NSHDSACASA-N -1 1 337.753 3.954 20 0 EHADMM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1 ZINC000007050435 1033481997 /nfs/dbraw/zinc/48/19/97/1033481997.db2.gz ZNDOQMZNKKWDTP-UHFFFAOYSA-N -1 1 342.207 3.671 20 0 EHADMM Cc1c(C(=O)Nc2c([O-])cccc2F)cnn1-c1ccc(C)cc1 ZINC000608365228 1033638009 /nfs/dbraw/zinc/63/80/09/1033638009.db2.gz BJQXCTOVVYHRDL-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM CCOc1cc(C(=O)N2CCc3ccc(F)cc32)cc(Cl)c1[O-] ZINC000186717754 1033788405 /nfs/dbraw/zinc/78/84/05/1033788405.db2.gz FFEYXFLMFPRABH-UHFFFAOYSA-N -1 1 335.762 3.786 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1O ZINC000476418911 1033814241 /nfs/dbraw/zinc/81/42/41/1033814241.db2.gz PHKIELDPKZKMHL-UHFFFAOYSA-N -1 1 345.342 3.829 20 0 EHADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc(F)c3)c2)o1 ZINC000476429809 1033820021 /nfs/dbraw/zinc/82/00/21/1033820021.db2.gz NILVYKUWAALZBH-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000575126060 1033865700 /nfs/dbraw/zinc/86/57/00/1033865700.db2.gz QLYPPQIRYRIEBA-LRDDRELGSA-N -1 1 339.439 3.621 20 0 EHADMM CSc1ccccc1[N-]C(=O)c1nnn(C2CC2)c1C(F)(F)F ZINC000608755033 1033887590 /nfs/dbraw/zinc/88/75/90/1033887590.db2.gz ZIDNMEUIKZDBTQ-UHFFFAOYSA-N -1 1 342.346 3.606 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000476490862 1033954305 /nfs/dbraw/zinc/95/43/05/1033954305.db2.gz ZEDYWUUXDCVNNQ-UHFFFAOYSA-N -1 1 343.452 3.980 20 0 EHADMM CC(=O)c1[n-]c(=NCc2cc(Br)cs2)sc1C ZINC000450259062 1033980569 /nfs/dbraw/zinc/98/05/69/1033980569.db2.gz DEVRCEXPYCWOJR-UHFFFAOYSA-N -1 1 331.260 3.512 20 0 EHADMM [O-]c1ccc(-c2noc(CCOc3ccccc3F)n2)c(Cl)c1 ZINC000445448762 1034108587 /nfs/dbraw/zinc/10/85/87/1034108587.db2.gz MFGABYUTBUYZAI-UHFFFAOYSA-N -1 1 334.734 3.856 20 0 EHADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1C ZINC000615222974 1034301896 /nfs/dbraw/zinc/30/18/96/1034301896.db2.gz VYYDSQBSTLVBDW-UHFFFAOYSA-N -1 1 345.443 3.827 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCOCC12CCCCC2 ZINC000456526403 1034515606 /nfs/dbraw/zinc/51/56/06/1034515606.db2.gz RRCUUEAVXLKPAI-UHFFFAOYSA-N -1 1 325.408 3.721 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc2cc(F)ccc2o1 ZINC000605179991 1034645431 /nfs/dbraw/zinc/64/54/31/1034645431.db2.gz ULLDOWHIYSJAKV-UHFFFAOYSA-N -1 1 327.340 3.698 20 0 EHADMM CCOc1cc(C(=O)NCC(C)(C)C(F)(F)F)cc(Cl)c1[O-] ZINC000548910913 1034662672 /nfs/dbraw/zinc/66/26/72/1034662672.db2.gz VCFJCUUJDZYGPM-UHFFFAOYSA-N -1 1 339.741 3.763 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)C2(C)CCC(=O)CC2)c1 ZINC000450671055 1034670578 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Cc1ccc(CSCCN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000570150348 1035083671 /nfs/dbraw/zinc/08/36/71/1035083671.db2.gz YUFYMMDYGGXLPR-UHFFFAOYSA-N -1 1 333.404 3.633 20 0 EHADMM COc1cc(C(=O)Nc2ccc(F)cc2[O-])sc1Br ZINC000534705283 1035500307 /nfs/dbraw/zinc/50/03/07/1035500307.db2.gz OHVBFTPFTWMTEM-UHFFFAOYSA-N -1 1 346.177 3.616 20 0 EHADMM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC000571463503 1035502063 /nfs/dbraw/zinc/50/20/63/1035502063.db2.gz BBLRJYVBSWWEFN-CABCVRRESA-N -1 1 346.254 3.866 20 0 EHADMM CN(Cc1ccc(Cl)nc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000030614226 1035514513 /nfs/dbraw/zinc/51/45/13/1035514513.db2.gz MIRPFKDFGGQUAT-UHFFFAOYSA-N -1 1 326.783 3.866 20 0 EHADMM CN1Cc2cc(NC(=O)c3ccc4ccccc4c3[O-])ccc2NC1=O ZINC000185883299 1035554258 /nfs/dbraw/zinc/55/42/58/1035554258.db2.gz XQQNMKCTVSQURX-UHFFFAOYSA-N -1 1 347.374 3.775 20 0 EHADMM CC[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)C(=O)c1ccc(OC)cc1 ZINC000540715794 1035602817 /nfs/dbraw/zinc/60/28/17/1035602817.db2.gz 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Cc1nc(-c2ccc(NCC[C@@H]3CCCC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000462844122 1037475654 /nfs/dbraw/zinc/47/56/54/1037475654.db2.gz XKSKUEPZCCJVKX-CJNGLKHVSA-N -1 1 340.471 3.911 20 0 EHADMM O=S(=O)([N-]c1cc(F)ccc1F)c1ccccc1C(F)(F)F ZINC000007405096 1037500857 /nfs/dbraw/zinc/50/08/57/1037500857.db2.gz MWHYHYPCQRNNLN-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000378004976 1037643759 /nfs/dbraw/zinc/64/37/59/1037643759.db2.gz SRLLPHNVHSUUOE-LLVKDONJSA-N -1 1 334.778 3.650 20 0 EHADMM CCCC[C@@H](CC)CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000540251975 1037725882 /nfs/dbraw/zinc/72/58/82/1037725882.db2.gz DVJBMALCAJFGHN-GFCCVEGCSA-N -1 1 344.452 3.742 20 0 EHADMM C[C@@H](Cc1cccs1)NC(=O)c1cc(Br)ccc1[O-] ZINC000221311103 1037862685 /nfs/dbraw/zinc/86/26/85/1037862685.db2.gz IMZXGQBBHAEDNV-VIFPVBQESA-N -1 1 340.242 3.577 20 0 EHADMM CC[C@H]1C[C@H](C(=O)Nc2cc(C)cc(Br)c2[O-])CCO1 ZINC000180186420 1038071404 /nfs/dbraw/zinc/07/14/04/1038071404.db2.gz 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1038858130 /nfs/dbraw/zinc/85/81/30/1038858130.db2.gz HZBAGPKLBDCCMX-ZFWWWQNUSA-N -1 1 346.224 3.516 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898416921 1039005949 /nfs/dbraw/zinc/00/59/49/1039005949.db2.gz HQBPJYGAVLJFKC-SFHVURJKSA-N -1 1 342.826 3.737 20 0 EHADMM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000552197830 1039051444 /nfs/dbraw/zinc/05/14/44/1039051444.db2.gz WLOWYYVJVTUBDC-QRPMWFLTSA-N -1 1 348.624 3.560 20 0 EHADMM COc1ccccc1[C@@H](CC(C)C)NCc1ccc(C(=O)[O-])cn1 ZINC000905725973 1039059858 /nfs/dbraw/zinc/05/98/58/1039059858.db2.gz BUQCDPIPFNEBQP-QGZVFWFLSA-N -1 1 328.412 3.665 20 0 EHADMM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000488371151 1039127017 /nfs/dbraw/zinc/12/70/17/1039127017.db2.gz XHTGBTZCHDCOAF-VHSXEESVSA-N -1 1 338.333 3.752 20 0 EHADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(C2CCOCC2)cc1 ZINC000910989893 1039181831 /nfs/dbraw/zinc/18/18/31/1039181831.db2.gz CWZATCXOKOAKHU-UHFFFAOYSA-N -1 1 333.334 3.817 20 0 EHADMM C[C@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001625896255 1039329538 /nfs/dbraw/zinc/32/95/38/1039329538.db2.gz JSASKNZEIMDYEJ-SECBINFHSA-N -1 1 337.297 3.657 20 0 EHADMM COc1cccc2cc(CNC(=O)c3ncc4ccccc4c3[O-])oc21 ZINC001143531685 1039407047 /nfs/dbraw/zinc/40/70/47/1039407047.db2.gz KBJLSNOYNNWZMI-UHFFFAOYSA-N -1 1 348.358 3.625 20 0 EHADMM CCCc1nc(C)c(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)o1 ZINC000410640410 1039493897 /nfs/dbraw/zinc/49/38/97/1039493897.db2.gz JDTQECQENWVPHI-UHFFFAOYSA-N -1 1 340.301 3.808 20 0 EHADMM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912290465 1039782864 /nfs/dbraw/zinc/78/28/64/1039782864.db2.gz QZZKDHMOACYNLQ-INIZCTEOSA-N -1 1 337.423 3.654 20 0 EHADMM O=c1cc(/C=C\c2ccc(-c3ccccc3Cl)o2)nc2nc[n-]n21 ZINC000486120125 1039902151 /nfs/dbraw/zinc/90/21/51/1039902151.db2.gz DVIUKOBGBYZXDZ-WAYWQWQTSA-N -1 1 338.754 3.501 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000417571668 1040006177 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FMZBZTNIDIVQME-UHFFFAOYSA-N -1 1 326.220 3.599 20 0 EHADMM COC(=O)[C@H](NCc1cccc([O-])c1Cl)c1cc(C)cc(C)c1 ZINC000512701243 1040565921 /nfs/dbraw/zinc/56/59/21/1040565921.db2.gz KYJBUOQXIQGQNM-QGZVFWFLSA-N -1 1 333.815 3.666 20 0 EHADMM CC1(C)CO[C@@H](CCC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908717903 1040613123 /nfs/dbraw/zinc/61/31/23/1040613123.db2.gz PJCUHWUVKMBNGL-JTQLQIEISA-N -1 1 342.233 3.689 20 0 EHADMM O=C([N-]NC(=O)c1ccc(Cl)cc1)c1cc2c(cccc2F)s1 ZINC000029488871 1040652200 /nfs/dbraw/zinc/65/22/00/1040652200.db2.gz RUQLJCSLYZWNSZ-UHFFFAOYSA-N -1 1 348.786 3.769 20 0 EHADMM CCc1cc(C(=O)N=c2[nH]n([C@H](C)c3ccccc3)cc2C)ccc1[O-] ZINC000487320192 1040911763 /nfs/dbraw/zinc/91/17/63/1040911763.db2.gz HWDRMHOAKSQQJP-OAHLLOKOSA-N -1 1 349.434 3.743 20 0 EHADMM Cc1nc(-c2cccs2)c(CC(=O)[N-]OCc2ccccc2)s1 ZINC000899866187 1041255929 /nfs/dbraw/zinc/25/59/29/1041255929.db2.gz YUAGVQNXAHECNW-UHFFFAOYSA-N -1 1 344.461 3.971 20 0 EHADMM CCc1nc(SCc2ccc(Br)cn2)[n-]c(=O)c1C ZINC000571343948 1041274343 /nfs/dbraw/zinc/27/43/43/1041274343.db2.gz AIXFXCMVDWCRLU-UHFFFAOYSA-N -1 1 340.246 3.503 20 0 EHADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c2cccnc12 ZINC000899880605 1041275805 /nfs/dbraw/zinc/27/58/05/1041275805.db2.gz ZSNORZGUPJLNNO-UHFFFAOYSA-N -1 1 336.395 3.723 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000047367497 1041622381 /nfs/dbraw/zinc/62/23/81/1041622381.db2.gz LZESKWSIVNBUCG-UHFFFAOYSA-N -1 1 345.420 3.837 20 0 EHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H](C)S1 ZINC000652402915 1042450421 /nfs/dbraw/zinc/45/04/21/1042450421.db2.gz JHSCYMOGJBMPEJ-JRKPZEMJSA-N -1 1 334.268 3.945 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434861 1042475065 /nfs/dbraw/zinc/47/50/65/1042475065.db2.gz GMCJAHSMLORGAM-CQSZACIVSA-N -1 1 349.789 3.831 20 0 EHADMM Cc1ccc(-c2cc(CN3Cc4ccccc4[C@@H](C(=O)[O-])C3)on2)cc1 ZINC000652470607 1042490987 /nfs/dbraw/zinc/49/09/87/1042490987.db2.gz BYCRYVXHIVZKKF-IBGZPJMESA-N -1 1 348.402 3.834 20 0 EHADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1c1cccnc1 ZINC000663173046 1042517786 /nfs/dbraw/zinc/51/77/86/1042517786.db2.gz VDJACZUZXWZWJM-SFHVURJKSA-N -1 1 333.391 3.559 20 0 EHADMM COc1ccc(Br)cc1OC(=O)c1ccc([O-])cc1F ZINC001167830902 1042987196 /nfs/dbraw/zinc/98/71/96/1042987196.db2.gz BXJQYVHABPZRNT-UHFFFAOYSA-N -1 1 341.132 3.522 20 0 EHADMM O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cncc([O-])c1 ZINC000111643292 1042989625 /nfs/dbraw/zinc/98/96/25/1042989625.db2.gz KFOBONMQBOGLET-UHFFFAOYSA-N -1 1 349.321 3.987 20 0 EHADMM O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000111666342 1042991881 /nfs/dbraw/zinc/99/18/81/1042991881.db2.gz PVFMVQRAWCZLTF-UHFFFAOYSA-N -1 1 345.811 3.745 20 0 EHADMM CC(C)c1noc2ncc(C(=O)Nc3ccc([O-])c(Cl)c3)cc21 ZINC000111666340 1042991930 /nfs/dbraw/zinc/99/19/30/1042991930.db2.gz AJBILMAWHGKDGD-UHFFFAOYSA-N -1 1 331.759 3.958 20 0 EHADMM Cc1nc(-c2ccco2)ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188364311 1043265579 /nfs/dbraw/zinc/26/55/79/1043265579.db2.gz YEUMIHXIEQJOIE-UHFFFAOYSA-N -1 1 329.743 3.656 20 0 EHADMM C[N@H+](Cc1cccc(C(F)F)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000279594008 1044279472 /nfs/dbraw/zinc/27/94/72/1044279472.db2.gz DRPFUAGXSBFMNC-UHFFFAOYSA-N -1 1 335.379 3.967 20 0 EHADMM CN(Cc1cccc(C(F)F)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000279594008 1044279485 /nfs/dbraw/zinc/27/94/85/1044279485.db2.gz DRPFUAGXSBFMNC-UHFFFAOYSA-N -1 1 335.379 3.967 20 0 EHADMM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000344890515 1044656369 /nfs/dbraw/zinc/65/63/69/1044656369.db2.gz AEYJLGXTUSSWST-BDAKNGLRSA-N -1 1 345.745 3.528 20 0 EHADMM COc1cc(C(=O)NCCc2ccccc2Cl)cc(Cl)c1[O-] ZINC000153681629 1125647690 /nfs/dbraw/zinc/64/76/90/1125647690.db2.gz CPBRWASTWKCACL-UHFFFAOYSA-N -1 1 340.206 3.680 20 0 EHADMM CCN(CCOc1ccccc1OC)C(=O)c1ccc(Cl)cc1[O-] ZINC000620713039 1125660304 /nfs/dbraw/zinc/66/03/04/1125660304.db2.gz XSJWUSAULJHBNJ-UHFFFAOYSA-N -1 1 349.814 3.595 20 0 EHADMM O=C(NCc1ccnc(C(F)(F)F)c1)c1cc2ccccc2cc1[O-] ZINC000622637885 1126735126 /nfs/dbraw/zinc/73/51/26/1126735126.db2.gz IXFHOXDEZMFPEL-UHFFFAOYSA-N -1 1 346.308 3.889 20 0 EHADMM C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000623207635 1126896049 /nfs/dbraw/zinc/89/60/49/1126896049.db2.gz YQIBVHLZWAKMQR-XCBNKYQSSA-N -1 1 340.210 3.727 20 0 EHADMM CCC(C)(C)CC(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000073093122 1127006200 /nfs/dbraw/zinc/00/62/00/1127006200.db2.gz WPMCCBYRDFIXMR-GFCCVEGCSA-N -1 1 336.505 3.808 20 0 EHADMM Cc1ncccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000073143922 1127099581 /nfs/dbraw/zinc/09/95/81/1127099581.db2.gz OHTBQRPHKOFFFE-UHFFFAOYSA-N -1 1 332.425 3.512 20 0 EHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(C(C)C)nc3)no2)c1 ZINC000350844117 1127108006 /nfs/dbraw/zinc/10/80/06/1127108006.db2.gz BVFQQLFZKMPCBZ-UHFFFAOYSA-N -1 1 338.367 3.586 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1OC(C)C ZINC000185631307 1127428665 /nfs/dbraw/zinc/42/86/65/1127428665.db2.gz FCIKPJCOOWQTDP-UHFFFAOYSA-N -1 1 335.425 3.592 20 0 EHADMM CCOc1cc(C(=O)N(Cc2cccnc2)C2CC2)cc(Cl)c1[O-] ZINC000193371404 1127436996 /nfs/dbraw/zinc/43/69/96/1127436996.db2.gz YLQNFPMSYHBGCP-UHFFFAOYSA-N -1 1 346.814 3.644 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C/c2ccc(O)cc2)c1 ZINC000764317529 1127478574 /nfs/dbraw/zinc/47/85/74/1127478574.db2.gz NRVFMOTTYOMERS-QPJJXVBHSA-N -1 1 348.196 3.821 20 0 EHADMM C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000765492222 1127620201 /nfs/dbraw/zinc/62/02/01/1127620201.db2.gz HHHVHFCYAINXHU-HNNXBMFYSA-N -1 1 338.407 3.674 20 0 EHADMM CCCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000029044342 1127793354 /nfs/dbraw/zinc/79/33/54/1127793354.db2.gz JJDVIOABANJIJR-UHFFFAOYSA-N -1 1 327.352 3.554 20 0 EHADMM O=S(=O)([N-]CCc1cccc2ccccc21)c1cc(F)ccc1F ZINC000030430329 1127819582 /nfs/dbraw/zinc/81/95/82/1127819582.db2.gz ADBISXNFBAQFRW-UHFFFAOYSA-N -1 1 347.386 3.639 20 0 EHADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C(C)C)c1 ZINC000065835717 1128204078 /nfs/dbraw/zinc/20/40/78/1128204078.db2.gz CLHABXISSRPYSO-UHFFFAOYSA-N -1 1 346.452 3.824 20 0 EHADMM CC[C@@H](C)Oc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000067147885 1128235933 /nfs/dbraw/zinc/23/59/33/1128235933.db2.gz FCGPAMRZHUIKIY-GFCCVEGCSA-N -1 1 342.395 3.780 20 0 EHADMM COC(=O)c1ccc(/C=C/c2ccc([O-])c(Br)c2)nc1 ZINC000053107859 1128411842 /nfs/dbraw/zinc/41/18/42/1128411842.db2.gz UQIGCXQMARYSAT-GORDUTHDSA-N -1 1 334.169 3.507 20 0 EHADMM O=C([O-])C[C@H]1CCCN(Cc2cc(Cl)ccc2Br)C1 ZINC000090252736 1128442474 /nfs/dbraw/zinc/44/24/74/1128442474.db2.gz HMUHPHAUCNNBOP-SNVBAGLBSA-N -1 1 346.652 3.789 20 0 EHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000055592202 1128524534 /nfs/dbraw/zinc/52/45/34/1128524534.db2.gz RJZXIHMVQGDXBB-UHFFFAOYSA-N -1 1 346.452 3.699 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC000007405770 1128865034 /nfs/dbraw/zinc/86/50/34/1128865034.db2.gz AXBLVWHUQHWXFW-UHFFFAOYSA-N -1 1 349.305 3.834 20 0 EHADMM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001648849938 1120054692 /nfs/dbraw/zinc/05/46/92/1120054692.db2.gz AFHJIWDPZGXESC-UHFFFAOYSA-N -1 1 331.343 3.739 20 0 EHADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000194690034 1120855284 /nfs/dbraw/zinc/85/52/84/1120855284.db2.gz YSICZMAJIDZKSS-UHFFFAOYSA-N -1 1 335.816 3.510 20 0 EHADMM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000227384170 1120878563 /nfs/dbraw/zinc/87/85/63/1120878563.db2.gz UBZMYGUVZKKIBT-WDEREUQCSA-N -1 1 344.274 3.559 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)[nH]n1 ZINC000008697288 1128951826 /nfs/dbraw/zinc/95/18/26/1128951826.db2.gz KDMQSVQDKKJNMJ-UHFFFAOYSA-N -1 1 329.425 3.661 20 0 EHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc2s1 ZINC000781121403 1121655570 /nfs/dbraw/zinc/65/55/70/1121655570.db2.gz ZOYYPGLSSOFUQV-UHFFFAOYSA-N -1 1 336.413 3.853 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1Cl ZINC000063182111 1121710197 /nfs/dbraw/zinc/71/01/97/1121710197.db2.gz OYXBHHHNBMEWOV-UHFFFAOYSA-N -1 1 347.827 3.839 20 0 EHADMM CSCC[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000113401670 1129009271 /nfs/dbraw/zinc/00/92/71/1129009271.db2.gz NLTDIKHZKTZTSE-CQSZACIVSA-N -1 1 339.844 3.896 20 0 EHADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000496219335 1122015182 /nfs/dbraw/zinc/01/51/82/1122015182.db2.gz XTMQDHXINAPWBH-LBPRGKRZSA-N -1 1 348.443 4.000 20 0 EHADMM CCc1nc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000328208546 1122078916 /nfs/dbraw/zinc/07/89/16/1122078916.db2.gz HZSYMSBUPXZVFV-UHFFFAOYSA-N -1 1 326.421 3.837 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000124481656 1122285333 /nfs/dbraw/zinc/28/53/33/1122285333.db2.gz FDDRCVZXJQBZRW-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ncccc2[O-])cc1 ZINC000127225358 1122470361 /nfs/dbraw/zinc/47/03/61/1122470361.db2.gz BUQPWGZJQCLZIK-UHFFFAOYSA-N -1 1 342.439 3.527 20 0 EHADMM CCNC(=O)Nc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000127684018 1122502364 /nfs/dbraw/zinc/50/23/64/1122502364.db2.gz NYBWYDVHYDNRDF-UHFFFAOYSA-N -1 1 349.390 3.939 20 0 EHADMM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000497766720 1122661169 /nfs/dbraw/zinc/66/11/69/1122661169.db2.gz ODDYUGVNKUPQPX-HNNXBMFYSA-N -1 1 343.370 3.780 20 0 EHADMM COc1ccccc1-c1cc(C(=O)[N-]c2c(F)cccc2F)no1 ZINC000918141719 1122765678 /nfs/dbraw/zinc/76/56/78/1122765678.db2.gz PTIIFHMNVLTOHH-UHFFFAOYSA-N -1 1 330.290 3.881 20 0 EHADMM O=C(Nc1c([O-])cccc1F)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000672901424 1129103351 /nfs/dbraw/zinc/10/33/51/1129103351.db2.gz WBDZEORUDTULMG-UHFFFAOYSA-N -1 1 343.745 3.894 20 0 EHADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccccc2Br)no1 ZINC000132984514 1123325677 /nfs/dbraw/zinc/32/56/77/1123325677.db2.gz OFDAUMZTRJPGTN-UHFFFAOYSA-N -1 1 349.159 3.935 20 0 EHADMM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccccc1C(F)(F)F ZINC000074928246 1123347292 /nfs/dbraw/zinc/34/72/92/1123347292.db2.gz ICTMSBMRZDMAFM-UHFFFAOYSA-N -1 1 333.306 3.786 20 0 EHADMM COc1ccc(Cl)cc1CNC(=O)c1c([O-])cccc1Cl ZINC000920451554 1123370897 /nfs/dbraw/zinc/37/08/97/1123370897.db2.gz DLNCIBDUFLEWDG-UHFFFAOYSA-N -1 1 326.179 3.638 20 0 EHADMM O=C([N-]c1nc(CC(F)(F)F)cs1)c1ncoc1C(F)(F)F ZINC000615411603 1123797325 /nfs/dbraw/zinc/79/73/25/1123797325.db2.gz XLKZOMOSQOGXEN-UHFFFAOYSA-N -1 1 345.224 3.507 20 0 EHADMM CN(CC(=O)Nc1cccc(Cl)c1)Cc1cccc(Cl)c1[O-] ZINC000179684705 1123824245 /nfs/dbraw/zinc/82/42/45/1123824245.db2.gz FJHPWZVLECMERW-UHFFFAOYSA-N -1 1 339.222 3.770 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nccc2ccccc21 ZINC000615885279 1123898965 /nfs/dbraw/zinc/89/89/65/1123898965.db2.gz VDWLFTAUKXWOBW-UHFFFAOYSA-N -1 1 336.395 3.589 20 0 EHADMM CC(C)(C)c1ccc([C@H](O)CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000734873386 1131289133 /nfs/dbraw/zinc/28/91/33/1131289133.db2.gz XBVUYCWIEDKRLR-MRXNPFEDSA-N -1 1 347.842 3.807 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)nc1 ZINC000734976115 1131301252 /nfs/dbraw/zinc/30/12/52/1131301252.db2.gz IMRADUKTIXRYJZ-HJWRWDBZSA-N -1 1 340.857 3.870 20 0 EHADMM FC(F)Cn1cc([N-]c2nn3cc(-c4ccccc4)nc3s2)cn1 ZINC000735075524 1131307750 /nfs/dbraw/zinc/30/77/50/1131307750.db2.gz ACZOAYLKRSKFKV-UHFFFAOYSA-N -1 1 346.366 3.663 20 0 EHADMM COc1ccc(O)cc1C(=O)/C=C/c1ccc([O-])c(Br)c1 ZINC000182286509 1125243745 /nfs/dbraw/zinc/24/37/45/1125243745.db2.gz WQTAXKGNFXRQHY-GORDUTHDSA-N -1 1 349.180 3.765 20 0 EHADMM CCN(C(=O)c1cc(Br)ccc1[O-])c1nc(C)cs1 ZINC000152968466 1125408715 /nfs/dbraw/zinc/40/87/15/1125408715.db2.gz JSUDYZGFLATRBZ-UHFFFAOYSA-N -1 1 341.230 3.586 20 0 EHADMM C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000619929835 1125430186 /nfs/dbraw/zinc/43/01/86/1125430186.db2.gz IZHSFCURIGSTQR-CQSZACIVSA-N -1 1 325.408 3.719 20 0 EHADMM COc1ccc2c(c1)N(C(=O)c1cc(Cl)c([O-])c(OC)c1)CCC2 ZINC000619934144 1125433911 /nfs/dbraw/zinc/43/39/11/1125433911.db2.gz RUPNSKKVAGZJLX-UHFFFAOYSA-N -1 1 347.798 3.656 20 0 EHADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCC(F)CC1 ZINC000619956774 1125435752 /nfs/dbraw/zinc/43/57/52/1125435752.db2.gz DYQGFFAGYPAATE-GRZMOONWSA-N -1 1 344.224 3.801 20 0 EHADMM COCc1ccccc1-c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000682378884 1129212980 /nfs/dbraw/zinc/21/29/80/1129212980.db2.gz NHPVHZPUPQSKKU-UHFFFAOYSA-N -1 1 346.770 3.918 20 0 EHADMM CC1(C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC(C)(C)O1 ZINC000338877445 1129659482 /nfs/dbraw/zinc/65/94/82/1129659482.db2.gz NIEYKNLWASWLFL-UHFFFAOYSA-N -1 1 348.830 3.623 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(C)c1 ZINC000509104915 1129750728 /nfs/dbraw/zinc/75/07/28/1129750728.db2.gz YQGQTYYNVUHTAH-UHFFFAOYSA-N -1 1 342.420 3.743 20 0 EHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000509104017 1129751740 /nfs/dbraw/zinc/75/17/40/1129751740.db2.gz SISOKOGKTCLHBT-UHFFFAOYSA-N -1 1 337.466 3.997 20 0 EHADMM COCc1ccc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)o1 ZINC000171202638 1130032218 /nfs/dbraw/zinc/03/22/18/1130032218.db2.gz KEYSHTIBDJJNEI-UHFFFAOYSA-N -1 1 335.410 3.567 20 0 EHADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000674324520 1130064766 /nfs/dbraw/zinc/06/47/66/1130064766.db2.gz OBTMYWUSMBEAHM-BEFAXECRSA-N -1 1 343.398 3.771 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1N(C)C ZINC000731782917 1130846361 /nfs/dbraw/zinc/84/63/61/1130846361.db2.gz RLOITUZDUFSSNQ-UHFFFAOYSA-N -1 1 342.823 3.654 20 0 EHADMM Cc1cc(OC(C)C)ccc1NC(=O)c1nnc2ccccc2c1O ZINC000732273963 1130904196 /nfs/dbraw/zinc/90/41/96/1130904196.db2.gz MGVWLYXTTMOOJE-UHFFFAOYSA-N -1 1 337.379 3.683 20 0 EHADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc2c1O[C@H](C)C2 ZINC000732306556 1130908641 /nfs/dbraw/zinc/90/86/41/1130908641.db2.gz DGYZHMURUXPOCW-SECBINFHSA-N -1 1 333.771 3.630 20 0 EHADMM Cc1ccc(Oc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)nc1 ZINC000733235055 1131013004 /nfs/dbraw/zinc/01/30/04/1131013004.db2.gz RYPSOZSDDYBSQQ-UHFFFAOYSA-N -1 1 336.347 3.846 20 0 EHADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[nH]n1 ZINC000034254412 1131426245 /nfs/dbraw/zinc/42/62/45/1131426245.db2.gz LQGOOBDETNZTKE-UHFFFAOYSA-N -1 1 348.255 3.815 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2CC=CCC2)c([O-])c1 ZINC000740923077 1131558725 /nfs/dbraw/zinc/55/87/25/1131558725.db2.gz GAOWFWGNCGYPDY-ZDUSSCGKSA-N -1 1 346.427 3.825 20 0 EHADMM CC(C)[C@@H](C)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740928715 1131559506 /nfs/dbraw/zinc/55/95/06/1131559506.db2.gz QTJWHNGODWFRBK-LBPRGKRZSA-N -1 1 336.432 3.761 20 0 EHADMM CCC/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000741664435 1131632847 /nfs/dbraw/zinc/63/28/47/1131632847.db2.gz FYRSOTMAILZMKY-BJMVGYQFSA-N -1 1 344.436 3.782 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3cccc4cccnc43)no2)[n-]1 ZINC001212690144 1131901596 /nfs/dbraw/zinc/90/15/96/1131901596.db2.gz ZPVDPKLKFSPOTB-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3cccc4cccnc43)no2)n1 ZINC001212690144 1131901603 /nfs/dbraw/zinc/90/16/03/1131901603.db2.gz ZPVDPKLKFSPOTB-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM O=C(NCc1coc(-c2ccccc2)n1)c1c([O-])cccc1Cl ZINC000743599589 1131954551 /nfs/dbraw/zinc/95/45/51/1131954551.db2.gz UNLMVEXKGNGMCT-UHFFFAOYSA-N -1 1 328.755 3.631 20 0 EHADMM [O-]c1cnccc1-c1nc(-c2ccc(-c3ccc(F)cc3)cn2)no1 ZINC001212722685 1132046781 /nfs/dbraw/zinc/04/67/81/1132046781.db2.gz UZKVISIVMHGGPA-UHFFFAOYSA-N -1 1 334.310 3.705 20 0 EHADMM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC001150179269 1132068509 /nfs/dbraw/zinc/06/85/09/1132068509.db2.gz SLMZPFJSQOJBET-ZZKXABKFSA-N -1 1 338.245 3.973 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@H](C)c2ccccc2)c1 ZINC000744455252 1132103625 /nfs/dbraw/zinc/10/36/25/1132103625.db2.gz GCYSCZODHQDCHK-AWEZNQCLSA-N -1 1 326.392 3.874 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(F)cc2Cl)c1 ZINC000744469544 1132105703 /nfs/dbraw/zinc/10/57/03/1132105703.db2.gz MJTCMOPKFJWQNA-UHFFFAOYSA-N -1 1 336.746 3.787 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)Cc2ccccc2F)c1 ZINC000745068503 1132187020 /nfs/dbraw/zinc/18/70/20/1132187020.db2.gz FXOKPSCGVDJYGK-CYBMUJFWSA-N -1 1 344.382 3.698 20 0 EHADMM NC(=O)c1cccc(Nc2cc(Br)cc(Cl)c2[O-])c1 ZINC001174063329 1132213059 /nfs/dbraw/zinc/21/30/59/1132213059.db2.gz QLAGQZZHWREKJM-UHFFFAOYSA-N -1 1 341.592 3.651 20 0 EHADMM COc1ccc2cc(Nc3cc(S(C)(=O)=O)ccc3[O-])ccc2c1 ZINC001174032682 1132220193 /nfs/dbraw/zinc/22/01/93/1132220193.db2.gz QKLYSBSAAJOFNG-UHFFFAOYSA-N -1 1 343.404 3.701 20 0 EHADMM CCc1ccc(C(=O)[C@H](C)OC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000745522344 1132260763 /nfs/dbraw/zinc/26/07/63/1132260763.db2.gz GZRUCKWBVUYXIH-JTQLQIEISA-N -1 1 334.318 3.661 20 0 EHADMM CC(C)(C)OC(=O)N1CCC(=Nc2c(F)cc([O-])cc2F)CC1 ZINC001174442191 1132359340 /nfs/dbraw/zinc/35/93/40/1132359340.db2.gz JCPVIVDOUNENCN-UHFFFAOYSA-N -1 1 326.343 3.607 20 0 EHADMM O=C([N-]c1cc(F)c(F)cc1F)c1ncc(Br)s1 ZINC000188923224 1132439680 /nfs/dbraw/zinc/43/96/80/1132439680.db2.gz FZFQDZPLJLRSKN-UHFFFAOYSA-N -1 1 337.120 3.575 20 0 EHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(COC)cc1 ZINC000766581841 1132657271 /nfs/dbraw/zinc/65/72/71/1132657271.db2.gz 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/nfs/dbraw/zinc/96/01/14/1132960114.db2.gz CUXGPNRDJOJTQQ-UHFFFAOYSA-N -1 1 328.137 3.752 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccccc1Cl ZINC001176553331 1132964949 /nfs/dbraw/zinc/96/49/49/1132964949.db2.gz CVWLINOVDCBIEM-UHFFFAOYSA-N -1 1 335.816 3.701 20 0 EHADMM Cn1cc(Nc2cc3ccc([O-])cc3oc2=O)c(-c2ccccc2)n1 ZINC001176567650 1132968519 /nfs/dbraw/zinc/96/85/19/1132968519.db2.gz FQNCSFDGAYGTCZ-UHFFFAOYSA-N -1 1 333.347 3.643 20 0 EHADMM COCCCN(c1ccccc1N)c1c(F)cc(F)c([O-])c1F ZINC001176672992 1132979864 /nfs/dbraw/zinc/97/98/64/1132979864.db2.gz CHWCXCMVFHUSSS-UHFFFAOYSA-N -1 1 326.318 3.566 20 0 EHADMM O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc([O-])c(F)c1 ZINC000767300635 1132980396 /nfs/dbraw/zinc/98/03/96/1132980396.db2.gz MIFLPQUTLAQEQJ-UHFFFAOYSA-N -1 1 348.337 3.518 20 0 EHADMM COC(=O)c1cc(F)cc(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176674764 1132980590 /nfs/dbraw/zinc/98/05/90/1132980590.db2.gz VHZXZOYBNSNEBG-UHFFFAOYSA-N -1 1 333.212 3.618 20 0 EHADMM 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CCc1cccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC001189501154 1134592033 /nfs/dbraw/zinc/59/20/33/1134592033.db2.gz LOQUFIZWXGXCIT-UHFFFAOYSA-N -1 1 344.358 3.605 20 0 EHADMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cccc(Cl)c1F ZINC001189686206 1134610566 /nfs/dbraw/zinc/61/05/66/1134610566.db2.gz CUKKYAXJAQNMRD-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cc(Cl)ccc1F ZINC001189686491 1134611468 /nfs/dbraw/zinc/61/14/68/1134611468.db2.gz FOKAGJNLXQSTFH-UHFFFAOYSA-N -1 1 335.734 3.699 20 0 EHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccccc1-n1ccnc1 ZINC001190100278 1134655988 /nfs/dbraw/zinc/65/59/88/1134655988.db2.gz QXCYCPHTNWLIAD-UHFFFAOYSA-N -1 1 347.296 3.849 20 0 EHADMM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001190829685 1134756560 /nfs/dbraw/zinc/75/65/60/1134756560.db2.gz NGRTZKXQUAZNSI-CHWSQXEVSA-N -1 1 331.428 3.768 20 0 EHADMM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccncc3)cc2)c1 ZINC001190896635 1134764649 /nfs/dbraw/zinc/76/46/49/1134764649.db2.gz PISKJKYYUUGYRX-UHFFFAOYSA-N -1 1 340.404 3.983 20 0 EHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC001191224917 1134829905 /nfs/dbraw/zinc/82/99/05/1134829905.db2.gz YETQOSCOBNNSJX-UHFFFAOYSA-N -1 1 331.437 3.860 20 0 EHADMM CN1Cc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3[O-])c2C1=O ZINC001192336238 1135000629 /nfs/dbraw/zinc/00/06/29/1135000629.db2.gz WHXVWABCACVHSF-UHFFFAOYSA-N -1 1 338.407 3.528 20 0 EHADMM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC001192302834 1135002251 /nfs/dbraw/zinc/00/22/51/1135002251.db2.gz CNNWVDBNDWVIFN-UHFFFAOYSA-N -1 1 340.832 3.631 20 0 EHADMM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192367748 1135006996 /nfs/dbraw/zinc/00/69/96/1135006996.db2.gz HQAARWWGAFPUCN-UHFFFAOYSA-N -1 1 328.796 3.600 20 0 EHADMM O=C(Nc1ncccc1-c1ccccc1)c1c(F)ccc([O-])c1F ZINC001192525504 1135031354 /nfs/dbraw/zinc/03/13/54/1135031354.db2.gz VYLJWYIHAHAIMT-UHFFFAOYSA-N -1 1 326.302 3.985 20 0 EHADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000794320654 1135040544 /nfs/dbraw/zinc/04/05/44/1135040544.db2.gz MZJVPDFJVQDASA-GXTWGEPZSA-N -1 1 349.475 3.618 20 0 EHADMM COc1ccnc(C(=O)Nc2ccccc2Cc2ccccc2)c1[O-] ZINC001193532066 1135144861 /nfs/dbraw/zinc/14/48/61/1135144861.db2.gz SOXCCIYBOIRZIC-UHFFFAOYSA-N -1 1 334.375 3.639 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cnc(C)nc2Cl)c2ccccc12 ZINC001193832948 1135189999 /nfs/dbraw/zinc/18/99/99/1135189999.db2.gz GIWVEAYLBPNMBK-UHFFFAOYSA-N -1 1 347.827 3.701 20 0 EHADMM Cc1cnc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c(F)c1 ZINC001193834935 1135191787 /nfs/dbraw/zinc/19/17/87/1135191787.db2.gz WUGVUEMNLVHEEJ-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM Cc1ccc(CO)c([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193861827 1135197672 /nfs/dbraw/zinc/19/76/72/1135197672.db2.gz ITEGCUGBYZDLEN-UHFFFAOYSA-N -1 1 341.432 3.750 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)ccn1 ZINC001194216102 1135245116 /nfs/dbraw/zinc/24/51/16/1135245116.db2.gz KPUXNISZCFCZSG-UHFFFAOYSA-N -1 1 348.811 3.698 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c1 ZINC001194333923 1135260764 /nfs/dbraw/zinc/26/07/64/1135260764.db2.gz IUGYSPCQEBRGHB-UHFFFAOYSA-N -1 1 348.811 3.703 20 0 EHADMM Cc1ccccc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194447577 1135275068 /nfs/dbraw/zinc/27/50/68/1135275068.db2.gz ROHKZLBTKOLJRX-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2cncc(C)c21 ZINC001194643819 1135296784 /nfs/dbraw/zinc/29/67/84/1135296784.db2.gz OLQSSRVNWHABQW-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ncc(Cl)nc2Cl)c1 ZINC001195115293 1135371891 /nfs/dbraw/zinc/37/18/91/1135371891.db2.gz COHRVCIQPWBRBH-UHFFFAOYSA-N -1 1 346.239 3.708 20 0 EHADMM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001195165543 1135385571 /nfs/dbraw/zinc/38/55/71/1135385571.db2.gz NHNKOPUOYDEYOC-VIFPVBQESA-N -1 1 347.889 3.647 20 0 EHADMM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc([O-])cnc1Cl ZINC001195305548 1135409701 /nfs/dbraw/zinc/40/97/01/1135409701.db2.gz GHXRXFARRDGJPO-UHFFFAOYSA-N -1 1 348.786 3.648 20 0 EHADMM Cc1ccc(NC(=O)c2cc([O-])cnc2Cl)cc1OC(F)F ZINC001195305489 1135410065 /nfs/dbraw/zinc/41/00/65/1135410065.db2.gz FOUKPUSQJNAPNG-UHFFFAOYSA-N -1 1 328.702 3.603 20 0 EHADMM CC(C)Nc1nc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cs1 ZINC001195689055 1135451522 /nfs/dbraw/zinc/45/15/22/1135451522.db2.gz WGBVAXZERHADAU-UHFFFAOYSA-N -1 1 345.346 3.940 20 0 EHADMM COC(=O)c1onc(C)c1[N-]C(=O)c1sccc1-c1ccccc1 ZINC001195709291 1135458502 /nfs/dbraw/zinc/45/85/02/1135458502.db2.gz LFTBEOSCWQGIFW-UHFFFAOYSA-N -1 1 342.376 3.750 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2F)c(F)c1 ZINC001196383365 1135552879 /nfs/dbraw/zinc/55/28/79/1135552879.db2.gz PFZSMJPTKDGOCB-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)c(C)c1 ZINC001196857151 1135623721 /nfs/dbraw/zinc/62/37/21/1135623721.db2.gz BCTRFGJXDNFXQY-UHFFFAOYSA-N -1 1 346.452 3.775 20 0 EHADMM O=S(=O)(Cc1cccnc1)[N-]c1cc(C2CCCCC2)ccc1O ZINC001197465993 1135693632 /nfs/dbraw/zinc/69/36/32/1135693632.db2.gz WZXFUFDGRJZCBD-UHFFFAOYSA-N -1 1 346.452 3.777 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)cn1 ZINC001198318460 1135800319 /nfs/dbraw/zinc/80/03/19/1135800319.db2.gz RGELGOJOYLXYKV-UHFFFAOYSA-N -1 1 346.452 3.902 20 0 EHADMM O=C([N-]c1cc(F)c(Cl)nc1Cl)c1cnoc1C(F)(F)F ZINC001199050255 1135876056 /nfs/dbraw/zinc/87/60/56/1135876056.db2.gz WZKGYHVINPWADP-UHFFFAOYSA-N -1 1 344.051 3.787 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2ccc(C)s2)c1 ZINC000811256349 1136063416 /nfs/dbraw/zinc/06/34/16/1136063416.db2.gz ZOZSALNSQBHORW-UHFFFAOYSA-N -1 1 332.421 3.683 20 0 EHADMM O=C(Nc1ccccc1Cl)Nc1nc(Br)ccc1[O-] ZINC001202052282 1136086759 /nfs/dbraw/zinc/08/67/59/1136086759.db2.gz ICVFSIXGOBKHQA-UHFFFAOYSA-N -1 1 342.580 3.847 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccoc2C(F)(F)F)c1 ZINC000811440678 1136087321 /nfs/dbraw/zinc/08/73/21/1136087321.db2.gz HBTMPTJLGDZODU-UHFFFAOYSA-N -1 1 342.269 3.606 20 0 EHADMM CCc1cc2c(COC(=O)[C@H]3CC[C@H](C)C3)cc(=O)oc2cc1[O-] ZINC000776424431 1136185162 /nfs/dbraw/zinc/18/51/62/1136185162.db2.gz MITVFBDZJRFFOO-AAEUAGOBSA-N -1 1 330.380 3.540 20 0 EHADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000812330049 1136195546 /nfs/dbraw/zinc/19/55/46/1136195546.db2.gz AOHGKDYNISPPEH-SREVYHEPSA-N -1 1 326.780 3.595 20 0 EHADMM COC(=O)c1cc(C(C)=O)c(NC(=O)C(CC(C)C)CC(C)C)[n-]1 ZINC001133460011 1136254796 /nfs/dbraw/zinc/25/47/96/1136254796.db2.gz ZZULGALSSXDPCS-UHFFFAOYSA-N -1 1 336.432 3.651 20 0 EHADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)CCC2 ZINC000813818606 1136363966 /nfs/dbraw/zinc/36/39/66/1136363966.db2.gz YGAXHUAECROXOT-INIZCTEOSA-N -1 1 339.439 3.730 20 0 EHADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)C1(C)C ZINC000885677040 1136606686 /nfs/dbraw/zinc/60/66/86/1136606686.db2.gz ZHDMNRBTLMJWKO-ZJUUUORDSA-N -1 1 327.783 3.765 20 0 EHADMM CC(C)(CO)[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccs1 ZINC000855111766 1136667799 /nfs/dbraw/zinc/66/77/99/1136667799.db2.gz RCLCXCZZSJMYLS-CQSZACIVSA-N -1 1 339.844 3.597 20 0 EHADMM Cc1nc(SCc2ccc(SC(=O)N(C)C)cc2)[n-]c(=O)c1C ZINC000776871408 1136750357 /nfs/dbraw/zinc/75/03/57/1136750357.db2.gz WLWDBJONLVOMAN-UHFFFAOYSA-N -1 1 349.481 3.865 20 0 EHADMM O=C(c1cncc([O-])c1)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC001170849078 1136766016 /nfs/dbraw/zinc/76/60/16/1136766016.db2.gz ODOAVRDAYQPQQR-SFHVURJKSA-N -1 1 330.387 3.601 20 0 EHADMM O=C(c1nnc2ccccc2c1O)N1CCCC[C@@H]1CC1CCC1 ZINC000856273410 1136771496 /nfs/dbraw/zinc/77/14/96/1136771496.db2.gz WRFFTFNZBUTQFG-CQSZACIVSA-N -1 1 325.412 3.520 20 0 EHADMM O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc2ccccc2cc1[O-] ZINC000817091288 1136778692 /nfs/dbraw/zinc/77/86/92/1136778692.db2.gz QSILQWBVVBTOEC-SFHVURJKSA-N -1 1 341.794 3.662 20 0 EHADMM C[C@H](C(=O)[N-]OCC1CCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000856348979 1136779030 /nfs/dbraw/zinc/77/90/30/1136779030.db2.gz WWSUNZCJXZTMPD-HNNXBMFYSA-N -1 1 337.419 3.869 20 0 EHADMM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ncccc1[O-] ZINC001136160021 1136890939 /nfs/dbraw/zinc/89/09/39/1136890939.db2.gz QGRPAPYPYUXHIS-QGZVFWFLSA-N -1 1 338.794 3.960 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCc2ccccc2C1 ZINC001136190310 1136916588 /nfs/dbraw/zinc/91/65/88/1136916588.db2.gz AEUMMKKAYHXLOB-INIZCTEOSA-N -1 1 333.391 3.526 20 0 EHADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001136266514 1136959735 /nfs/dbraw/zinc/95/97/35/1136959735.db2.gz UBNMRUYALINQQP-SCLBCKFNSA-N -1 1 343.423 3.576 20 0 EHADMM Cc1noc(C)c1[C@H](C)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000819993166 1136971521 /nfs/dbraw/zinc/97/15/21/1136971521.db2.gz UQDOGMWFYWEAMQ-ZETCQYMHSA-N -1 1 330.281 3.539 20 0 EHADMM O=c1nc(N2CCC([C@H](F)c3ccccc3F)CC2)cc(Cl)[n-]1 ZINC000858543620 1136977516 /nfs/dbraw/zinc/97/75/16/1136977516.db2.gz UUBCEOGFDUQJLT-HNNXBMFYSA-N -1 1 339.773 3.902 20 0 EHADMM O=c1nc(N2CCC(Cc3c(F)cccc3F)CC2)cc(Cl)[n-]1 ZINC000858564598 1136978869 /nfs/dbraw/zinc/97/88/69/1136978869.db2.gz QFZFIUMESABRSN-UHFFFAOYSA-N -1 1 339.773 3.573 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000116221450 1136983010 /nfs/dbraw/zinc/98/30/10/1136983010.db2.gz DGRWFBZJTJFNPG-ZDUSSCGKSA-N -1 1 338.521 3.568 20 0 EHADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)c2c(C)cccc2C)c1 ZINC000820440715 1136992232 /nfs/dbraw/zinc/99/22/32/1136992232.db2.gz NIDIBHGVBZUOKZ-OYLFLEFRSA-N -1 1 346.448 3.724 20 0 EHADMM CCOc1cc2c(cc1NC(=O)c1ccc(F)c([O-])c1)O[C@H](C)C2 ZINC001136514607 1137044051 /nfs/dbraw/zinc/04/40/51/1137044051.db2.gz MJRHLMGNWRKPRP-SNVBAGLBSA-N -1 1 331.343 3.506 20 0 EHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CC12CCC2 ZINC000843886368 1137186534 /nfs/dbraw/zinc/18/65/34/1137186534.db2.gz PYJCNETZEYJGBA-QMMMGPOBSA-N -1 1 330.609 3.937 20 0 EHADMM CC(C)(C)c1nsc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC001143747109 1137195773 /nfs/dbraw/zinc/19/57/73/1137195773.db2.gz LYKSNWUCWBKZNX-UHFFFAOYSA-N -1 1 345.346 3.812 20 0 EHADMM Cc1nc(CNCc2cccc(OC(C)(C)C)c2)ccc1C(=O)[O-] ZINC000864505475 1137230467 /nfs/dbraw/zinc/23/04/67/1137230467.db2.gz MRBZWLURTYGSOP-UHFFFAOYSA-N -1 1 328.412 3.555 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nc(Br)cs1 ZINC000120193672 1137241189 /nfs/dbraw/zinc/24/11/89/1137241189.db2.gz HYPQXSRRSMYWMK-UHFFFAOYSA-N -1 1 333.594 3.517 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2cc(F)c(C=O)cc2F)s1 ZINC000864969095 1137255481 /nfs/dbraw/zinc/25/54/81/1137255481.db2.gz HVBORKKJVOPEIX-UHFFFAOYSA-N -1 1 339.367 3.785 20 0 EHADMM Cc1cccc(Cl)c1NC(=O)[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000865369200 1137278012 /nfs/dbraw/zinc/27/80/12/1137278012.db2.gz MSVRWUGVFHVDQK-JTQLQIEISA-N -1 1 337.832 3.572 20 0 EHADMM COc1ccccc1OC1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144558954 1137309692 /nfs/dbraw/zinc/30/96/92/1137309692.db2.gz GTSSWJOYJGHEJN-UHFFFAOYSA-N -1 1 349.377 3.722 20 0 EHADMM C[C@H](O)[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1F ZINC001144792262 1137348808 /nfs/dbraw/zinc/34/88/08/1137348808.db2.gz DSKYUKIPXFCBTJ-HXPMCKFVSA-N -1 1 339.366 3.536 20 0 EHADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001144848831 1137354135 /nfs/dbraw/zinc/35/41/35/1137354135.db2.gz HQSUFDUBJYJXMT-IBGZPJMESA-N -1 1 333.387 3.977 20 0 EHADMM CC(C)(C)c1csc(C2CCN(C(=O)c3ccc([O-])cn3)CC2)n1 ZINC001146765546 1137394066 /nfs/dbraw/zinc/39/40/66/1137394066.db2.gz LOQPLEOQJIYTRR-UHFFFAOYSA-N -1 1 345.468 3.561 20 0 EHADMM C[C@@H]1C[C@@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)[C@H](C)O1 ZINC000868291952 1137404957 /nfs/dbraw/zinc/40/49/57/1137404957.db2.gz ZPNCRYDJGNSFKQ-BKPPORCPSA-N -1 1 348.624 3.560 20 0 EHADMM CON(C(=O)Cc1ccc([O-])c(Cl)c1)[C@@H](C)c1csc(C)n1 ZINC000868659526 1137418298 /nfs/dbraw/zinc/41/82/98/1137418298.db2.gz GOJTYJUZVQNHPQ-VIFPVBQESA-N -1 1 340.832 3.504 20 0 EHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cc(Cl)ccc1F ZINC001148421183 1137424808 /nfs/dbraw/zinc/42/48/08/1137424808.db2.gz ATEDQODNUNRITL-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM O=C(NCc1cc(F)cnc1Cl)c1ccc(C(F)(F)F)cc1[O-] ZINC001148806559 1137435497 /nfs/dbraw/zinc/43/54/97/1137435497.db2.gz XVYZXYSMIFCCRW-UHFFFAOYSA-N -1 1 348.683 3.529 20 0 EHADMM COC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148867118 1137436780 /nfs/dbraw/zinc/43/67/80/1137436780.db2.gz WANKGKMTTBMXBJ-SJPCQFCGSA-N -1 1 337.419 3.841 20 0 EHADMM C[C@H](Cc1ccsc1)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001148903768 1137437451 /nfs/dbraw/zinc/43/74/51/1137437451.db2.gz FUALARGVIFQIRB-GFCCVEGCSA-N -1 1 326.421 3.705 20 0 EHADMM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(F)c1[O-] ZINC001171632710 1137500202 /nfs/dbraw/zinc/50/02/02/1137500202.db2.gz MAOOZLGPUJEEBD-UHFFFAOYSA-N -1 1 326.327 3.676 20 0 EHADMM CCCOc1c(F)cc(F)c([N-]c2cc(C(=O)OCC)no2)c1F ZINC001212649165 1137544316 /nfs/dbraw/zinc/54/43/16/1137544316.db2.gz ROWMHMFEDUKHRY-UHFFFAOYSA-N -1 1 344.289 3.801 20 0 EHADMM FC(F)(F)c1n[n-]nc1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001212652772 1137548850 /nfs/dbraw/zinc/54/88/50/1137548850.db2.gz HBCWKQLDHCFSDL-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM CCc1c(=O)n(-c2cc(Cl)nc(C)n2)[n-]c1-c1cccc(C)c1 ZINC000871955857 1137563726 /nfs/dbraw/zinc/56/37/26/1137563726.db2.gz FRACOJZNMYCKID-ZDUSSCGKSA-N -1 1 328.803 3.524 20 0 EHADMM Cc1ccc(CN2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C(=O)[O-] ZINC000872158376 1137574154 /nfs/dbraw/zinc/57/41/54/1137574154.db2.gz CBSSSVFLQJGXEY-OXQOHEQNSA-N -1 1 339.435 3.964 20 0 EHADMM Cc1ccc(CN2C[C@H](c3ccccc3)OC[C@H]2C)cc1C(=O)[O-] ZINC000872156499 1137574196 /nfs/dbraw/zinc/57/41/96/1137574196.db2.gz AHHNHOSXTYQEBG-DNVCBOLYSA-N -1 1 325.408 3.655 20 0 EHADMM C[C@@H](CCCc1cccnc1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000873037960 1137588647 /nfs/dbraw/zinc/58/86/47/1137588647.db2.gz GFSMCBVCCLSZRZ-ZDUSSCGKSA-N -1 1 347.846 3.651 20 0 EHADMM CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394552 1137650659 /nfs/dbraw/zinc/65/06/59/1137650659.db2.gz XAFQSEFRZQCTOY-OAHLLOKOSA-N -1 1 333.819 3.733 20 0 EHADMM Cc1nc(NC(=O)CC2=CCCCC2)sc1-c1n[n-]c(=S)n1C ZINC000106746349 1137884425 /nfs/dbraw/zinc/88/44/25/1137884425.db2.gz QOAUSHPJGUOHOW-UHFFFAOYSA-N -1 1 349.485 3.739 20 0 EHADMM Cc1ccccc1C1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000106861378 1137884916 /nfs/dbraw/zinc/88/49/16/1137884916.db2.gz HBGSZFGVZCHPRZ-UHFFFAOYSA-N -1 1 339.464 3.673 20 0 EHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1([C@@H]2CCCCO2)CCC1 ZINC000885679816 1138018351 /nfs/dbraw/zinc/01/83/51/1138018351.db2.gz HONZSIRXKJPTBR-AWEZNQCLSA-N -1 1 327.783 3.863 20 0 EHADMM CC(C)(CC(=O)NCCc1c(F)cc([O-])cc1F)CC(F)(F)F ZINC000886271597 1138063224 /nfs/dbraw/zinc/06/32/24/1138063224.db2.gz OJQVYSORVNJZCS-UHFFFAOYSA-N -1 1 339.304 3.698 20 0 EHADMM CC(C)n1c(CNC(=O)c2ccc(C(C)(C)C)cc2)n[n-]c1=S ZINC000066639846 1138076807 /nfs/dbraw/zinc/07/68/07/1138076807.db2.gz VOIQZUHFUHHEGE-UHFFFAOYSA-N -1 1 332.473 3.749 20 0 EHADMM CC[C@H](CC(=O)NCCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000067072599 1138079762 /nfs/dbraw/zinc/07/97/62/1138079762.db2.gz BOCSLYCSGKFTKY-CQSZACIVSA-N -1 1 346.500 3.764 20 0 EHADMM C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H]1c1ccccc1 ZINC000886543524 1138093785 /nfs/dbraw/zinc/09/37/85/1138093785.db2.gz QGECZTYIRMNBCR-BLLLJJGKSA-N -1 1 325.437 3.980 20 0 EHADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1ccccc1 ZINC000138250701 1138094076 /nfs/dbraw/zinc/09/40/76/1138094076.db2.gz CPYWSRBLGQWTAW-UHFFFAOYSA-N -1 1 330.438 3.698 20 0 EHADMM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1sccc1Cl ZINC000333376728 1138282506 /nfs/dbraw/zinc/28/25/06/1138282506.db2.gz DYNRWQZWPCECMU-NSHDSACASA-N -1 1 349.905 3.562 20 0 EHADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccccc3C)c2C1 ZINC000263860180 1138381881 /nfs/dbraw/zinc/38/18/81/1138381881.db2.gz SDMSMORRAYGWDF-UHFFFAOYSA-N -1 1 330.453 3.521 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccc(F)cc2)CCOCC1 ZINC000129570388 1138414514 /nfs/dbraw/zinc/41/45/14/1138414514.db2.gz LSXDXFNZABPOOC-UHFFFAOYSA-N -1 1 349.789 3.872 20 0 EHADMM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)ccc1F ZINC000337146462 1138479266 /nfs/dbraw/zinc/47/92/66/1138479266.db2.gz FPNMYVMNTBVBCO-UHFFFAOYSA-N -1 1 339.363 3.652 20 0 EHADMM CC[C@H]1C[C@@H](C(=O)Nc2cc(C)cc(Br)c2[O-])CCO1 ZINC000180186443 1139816120 /nfs/dbraw/zinc/81/61/20/1139816120.db2.gz LHMZRLHJMNSUHN-QWRGUYRKSA-N -1 1 342.233 3.607 20 0 EHADMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc([O-])cc2F)cc1 ZINC000181246831 1139894796 /nfs/dbraw/zinc/89/47/96/1139894796.db2.gz FGKHVCHMSSCSLV-BEFAXECRSA-N -1 1 343.398 3.737 20 0 EHADMM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000192690289 1140544354 /nfs/dbraw/zinc/54/43/54/1140544354.db2.gz HFDFENQAVLYXBP-LBPRGKRZSA-N -1 1 336.304 3.719 20 0 EHADMM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])c1cccc(C)c1C ZINC000270090660 1141177783 /nfs/dbraw/zinc/17/77/83/1141177783.db2.gz ZFEWBUZBQMRALP-UHFFFAOYSA-N -1 1 326.396 3.634 20 0 EHADMM O=C(C[C@@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000271453474 1141370811 /nfs/dbraw/zinc/37/08/11/1141370811.db2.gz SIHXZYJXDQCECE-AWEZNQCLSA-N -1 1 345.370 3.782 20 0 EHADMM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339131649 1141505227 /nfs/dbraw/zinc/50/52/27/1141505227.db2.gz HNEJVCKZNHIJLG-GFCCVEGCSA-N -1 1 339.420 3.902 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(-n2cccc2)c1 ZINC000339137636 1141507157 /nfs/dbraw/zinc/50/71/57/1141507157.db2.gz SNZXAETVYFKWKP-UHFFFAOYSA-N -1 1 344.374 3.825 20 0 EHADMM CCSc1nnc([N-]C(=O)c2cnc(-c3ccco3)s2)s1 ZINC000348971835 1141617363 /nfs/dbraw/zinc/61/73/63/1141617363.db2.gz CNIHOUXFOUORKY-UHFFFAOYSA-N -1 1 338.439 3.619 20 0 EHADMM CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1 ZINC000008864570 211013901 /nfs/dbraw/zinc/01/39/01/211013901.db2.gz IWYISAUOYCNQFM-UHFFFAOYSA-N -1 1 336.463 3.819 20 0 EHADMM CCCc1nc(C)c(NS(=O)(=O)c2cccc(Cl)c2[O-])s1 ZINC000451030656 450603064 /nfs/dbraw/zinc/60/30/64/450603064.db2.gz JQWILKBYKKOEGH-UHFFFAOYSA-N -1 1 346.861 3.564 20 0 EHADMM C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n[nH]1 ZINC000616438645 479907301 /nfs/dbraw/zinc/90/73/01/479907301.db2.gz MUMKBDFYAKLVEB-VXNVDRBHSA-N -1 1 325.290 3.510 20 0 EHADMM O=C([O-])c1ccc(CNCc2ccccc2OCc2cccnc2)cc1 ZINC000426691572 597137241 /nfs/dbraw/zinc/13/72/41/597137241.db2.gz JENJMRIQRGVSCS-UHFFFAOYSA-N -1 1 348.402 3.649 20 0 EHADMM C[C@H](Cc1cccs1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736066745 599269490 /nfs/dbraw/zinc/26/94/90/599269490.db2.gz PTANEBMLGIUHMJ-LLVKDONJSA-N -1 1 336.424 3.520 20 0 EHADMM C[C@H](Cc1cccs1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736066745 599269492 /nfs/dbraw/zinc/26/94/92/599269492.db2.gz PTANEBMLGIUHMJ-LLVKDONJSA-N -1 1 336.424 3.520 20 0 EHADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1-c1ncco1 ZINC000822254711 607318669 /nfs/dbraw/zinc/31/86/69/607318669.db2.gz PIWPAEZCNRKJAI-UHFFFAOYSA-N -1 1 338.396 3.504 20 0 EHADMM Clc1ccc(N[C@H]2CCCCc3ccccc32)nc1-c1nnn[n-]1 ZINC000737574686 598579554 /nfs/dbraw/zinc/57/95/54/598579554.db2.gz OCOVAMHYCJITGQ-AWEZNQCLSA-N -1 1 340.818 3.795 20 0 EHADMM Clc1ccc(N[C@H]2CCCCc3ccccc32)nc1-c1nn[n-]n1 ZINC000737574686 598579556 /nfs/dbraw/zinc/57/95/56/598579556.db2.gz OCOVAMHYCJITGQ-AWEZNQCLSA-N -1 1 340.818 3.795 20 0 EHADMM COc1ccc(OC)c([C@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000576285485 600049287 /nfs/dbraw/zinc/04/92/87/600049287.db2.gz JVYZQYCNALJTFC-QGZVFWFLSA-N -1 1 345.395 3.641 20 0 EHADMM Cc1ccc(-c2n[nH]c(SCc3ccc(F)cc3C(=O)[O-])n2)cc1 ZINC000738494583 600058244 /nfs/dbraw/zinc/05/82/44/600058244.db2.gz PCYYXQVKOVMYNX-UHFFFAOYSA-N -1 1 343.383 3.910 20 0 EHADMM Cc1[nH]c(C(=O)[C@H](C)N[C@@H](c2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738235258 600118011 /nfs/dbraw/zinc/11/80/11/600118011.db2.gz HMWSSMZXVOGDMJ-WMLDXEAASA-N -1 1 342.439 3.888 20 0 EHADMM O=C([O-])[C@H]1CC12CCN(Cc1csc(-c3ccc(F)cc3)n1)CC2 ZINC000652479512 600292232 /nfs/dbraw/zinc/29/22/32/600292232.db2.gz XTVANYFKCDRIRR-OAHLLOKOSA-N -1 1 346.427 3.636 20 0 EHADMM CC[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1F ZINC000736920212 600452840 /nfs/dbraw/zinc/45/28/40/600452840.db2.gz KLGXVCLXFAXGAJ-KRWDZBQOSA-N -1 1 335.350 3.669 20 0 EHADMM CC(C)OCc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000827033441 600737037 /nfs/dbraw/zinc/73/70/37/600737037.db2.gz HZEMTXHTCDWWBO-SFHVURJKSA-N -1 1 331.387 3.666 20 0 EHADMM O=C([O-])[C@H](N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1 ZINC000833168370 600758495 /nfs/dbraw/zinc/75/84/95/600758495.db2.gz XLSKKIOJWWMHOP-GXTWGEPZSA-N -1 1 338.190 3.842 20 0 EHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000573452097 600793616 /nfs/dbraw/zinc/79/36/16/600793616.db2.gz FDRGNQMAZYMTGH-HIFRSBDPSA-N -1 1 326.396 3.589 20 0 EHADMM CN(C[C@@H]1CCCCO1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000652400261 600820734 /nfs/dbraw/zinc/82/07/34/600820734.db2.gz HINFLXPMWXKADU-FZMZJTMJSA-N -1 1 332.227 3.620 20 0 EHADMM Cc1cc(CN[C@H](C)c2ccc(F)cc2F)cc(C)c1OCC(=O)[O-] ZINC000832886900 601525690 /nfs/dbraw/zinc/52/56/90/601525690.db2.gz YTOBVVMITHYTOG-CYBMUJFWSA-N -1 1 349.377 3.896 20 0 EHADMM COc1cc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)ccc1SC ZINC000572857357 601624214 /nfs/dbraw/zinc/62/42/14/601624214.db2.gz VFLDKQQZIJJZNA-UHFFFAOYSA-N -1 1 349.427 3.886 20 0 EHADMM Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000578767380 601640229 /nfs/dbraw/zinc/64/02/29/601640229.db2.gz SWYXCRJAXDJTHJ-UHFFFAOYSA-N -1 1 343.398 3.876 20 0 EHADMM Cc1csc(C2(NCc3ccc(C(=O)[O-])c(F)c3)CCCC2)n1 ZINC000832989287 601648179 /nfs/dbraw/zinc/64/81/79/601648179.db2.gz WBWKUFQVZWKYRE-UHFFFAOYSA-N -1 1 334.416 3.848 20 0 EHADMM Cc1ccc(-c2nnc([C@@H](C)N3CCC(CCC(=O)[O-])CC3)o2)cc1 ZINC000832908932 601840444 /nfs/dbraw/zinc/84/04/44/601840444.db2.gz SCPJBLUTLJDHCU-CQSZACIVSA-N -1 1 343.427 3.683 20 0 EHADMM O=C([O-])CCC1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000324429424 601840871 /nfs/dbraw/zinc/84/08/71/601840871.db2.gz PRFILSOLXOGORH-UHFFFAOYSA-N -1 1 332.375 3.558 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000824757669 607533799 /nfs/dbraw/zinc/53/37/99/607533799.db2.gz ZXHTVRSBUPKBEJ-SECBINFHSA-N -1 1 333.367 3.534 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000824757669 607533803 /nfs/dbraw/zinc/53/38/03/607533803.db2.gz ZXHTVRSBUPKBEJ-SECBINFHSA-N -1 1 333.367 3.534 20 0 EHADMM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(C(=O)[O-])s1 ZINC000828509026 601955438 /nfs/dbraw/zinc/95/54/38/601955438.db2.gz LPFDDDHPLWYPLH-XNJGSVPQSA-N -1 1 331.437 3.797 20 0 EHADMM Cc1nc([C@H](C)[N@H+]2CC[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000576234146 602015113 /nfs/dbraw/zinc/01/51/13/602015113.db2.gz XFRFJAPNOCHZJM-AAEUAGOBSA-N -1 1 334.803 3.771 20 0 EHADMM CCCN(Cc1nc(-c2ccccc2)oc1C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358323 602544787 /nfs/dbraw/zinc/54/47/87/602544787.db2.gz BTQKNQXHQMLWHU-MRXNPFEDSA-N -1 1 343.427 3.614 20 0 EHADMM Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])c(Cl)c1 ZINC000740150938 602652529 /nfs/dbraw/zinc/65/25/29/602652529.db2.gz OLCNIDCMVJIYCD-UHFFFAOYSA-N -1 1 340.788 3.539 20 0 EHADMM Cc1ccccc1-c1cnc(CN(C)C2CCC(NC(=O)[O-])CC2)o1 ZINC000830546395 603794056 /nfs/dbraw/zinc/79/40/56/603794056.db2.gz SSGCFGBTGAPFTC-UHFFFAOYSA-N -1 1 343.427 3.661 20 0 EHADMM C[C@@H](Oc1ccc(CN2CCc3sccc3[C@H]2C)cc1)C(=O)[O-] ZINC000833539710 604523026 /nfs/dbraw/zinc/52/30/26/604523026.db2.gz HWLIVWHLLKUENN-CHWSQXEVSA-N -1 1 331.437 3.719 20 0 EHADMM C[C@@H](Oc1ccc(CN([C@H](C)c2ccco2)C2CC2)cc1)C(=O)[O-] ZINC000833538169 604607614 /nfs/dbraw/zinc/60/76/14/604607614.db2.gz QZJVTFDISSRULZ-ZIAGYGMSSA-N -1 1 329.396 3.857 20 0 EHADMM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)s1 ZINC000833754975 604637214 /nfs/dbraw/zinc/63/72/14/604637214.db2.gz SCYRNJSOGYVAHF-OLZOCXBDSA-N -1 1 348.468 3.805 20 0 EHADMM C[C@H](Oc1ccc(CN2CCCC[C@H]2c2ccco2)cc1)C(=O)[O-] ZINC000833544084 604642063 /nfs/dbraw/zinc/64/20/63/604642063.db2.gz WSHYLEKEWJQYPF-YOEHRIQHSA-N -1 1 329.396 3.859 20 0 EHADMM CC(C)CN1Cc2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2C1 ZINC000833487240 604868734 /nfs/dbraw/zinc/86/87/34/604868734.db2.gz HLXGPIWUVIMKOT-UHFFFAOYSA-N -1 1 338.407 3.609 20 0 EHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc(-c3ccco3)n2)C1 ZINC000321986845 604944492 /nfs/dbraw/zinc/94/44/92/604944492.db2.gz DIHYJNFUTLXHFQ-LBPRGKRZSA-N -1 1 334.441 3.726 20 0 EHADMM CCOc1ccc([C@H](C)NCc2cc(C(=O)[O-])oc2C)cc1OCC ZINC000833663080 605059517 /nfs/dbraw/zinc/05/95/17/605059517.db2.gz HWFFVTSHALCVKD-LBPRGKRZSA-N -1 1 347.411 3.934 20 0 EHADMM CCCOc1ccc([C@H](C)NCc2occc2C(=O)[O-])cc1OC ZINC000833652398 605077178 /nfs/dbraw/zinc/07/71/78/605077178.db2.gz SUNGIKQOCHCOPR-LBPRGKRZSA-N -1 1 333.384 3.626 20 0 EHADMM O=C([O-])N[C@H]1C[C@@H](NC2(c3cccc(F)c3)CC2)c2ccccc21 ZINC000834157310 605810430 /nfs/dbraw/zinc/81/04/30/605810430.db2.gz GGAVPNAOHDJTHV-DLBZAZTESA-N -1 1 326.371 3.858 20 0 EHADMM c1cc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cs1 ZINC000823791864 606456118 /nfs/dbraw/zinc/45/61/18/606456118.db2.gz KYTJWKNESDQDCW-MRXNPFEDSA-N -1 1 348.435 3.818 20 0 EHADMM c1cc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cs1 ZINC000823791864 606456120 /nfs/dbraw/zinc/45/61/20/606456120.db2.gz KYTJWKNESDQDCW-MRXNPFEDSA-N -1 1 348.435 3.818 20 0 EHADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000820055647 606528809 /nfs/dbraw/zinc/52/88/09/606528809.db2.gz JBGPLLCOBIKRDU-SNVBAGLBSA-N -1 1 347.469 3.507 20 0 EHADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000820055647 606528810 /nfs/dbraw/zinc/52/88/10/606528810.db2.gz JBGPLLCOBIKRDU-SNVBAGLBSA-N -1 1 347.469 3.507 20 0 EHADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C(C)(C)C)cc1 ZINC000821573284 606531474 /nfs/dbraw/zinc/53/14/74/606531474.db2.gz JHVQECBKNJMISY-UHFFFAOYSA-N -1 1 341.440 3.502 20 0 EHADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C(C)(C)C)cc1 ZINC000821573284 606531476 /nfs/dbraw/zinc/53/14/76/606531476.db2.gz JHVQECBKNJMISY-UHFFFAOYSA-N -1 1 341.440 3.502 20 0 EHADMM CC(C)[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1Cl ZINC000824200015 607899470 /nfs/dbraw/zinc/89/94/70/607899470.db2.gz ODJVKNMLLATGNH-HNNXBMFYSA-N -1 1 328.807 3.724 20 0 EHADMM CC(C)[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC000824200015 607899471 /nfs/dbraw/zinc/89/94/71/607899471.db2.gz ODJVKNMLLATGNH-HNNXBMFYSA-N -1 1 328.807 3.724 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@H]2CC=CCC2)c(-c2nnn[n-]2)s1 ZINC000824131358 607929351 /nfs/dbraw/zinc/92/93/51/607929351.db2.gz ZZSBXSABEYPKBT-JTQLQIEISA-N -1 1 331.445 3.521 20 0 EHADMM CC(C)(C)c1cc(NC(=O)[C@H]2CC=CCC2)c(-c2nn[n-]n2)s1 ZINC000824131358 607929352 /nfs/dbraw/zinc/92/93/52/607929352.db2.gz ZZSBXSABEYPKBT-JTQLQIEISA-N -1 1 331.445 3.521 20 0 EHADMM Fc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826375829 608169109 /nfs/dbraw/zinc/16/91/09/608169109.db2.gz DBYYUOBTLUVSLD-UHFFFAOYSA-N -1 1 332.147 3.561 20 0 EHADMM C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)c1ccco1 ZINC000824045199 608347807 /nfs/dbraw/zinc/34/78/07/608347807.db2.gz IUYXLGQDWRGVPV-VIFPVBQESA-N -1 1 345.428 3.561 20 0 EHADMM C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)c1ccco1 ZINC000824045199 608347809 /nfs/dbraw/zinc/34/78/09/608347809.db2.gz IUYXLGQDWRGVPV-VIFPVBQESA-N -1 1 345.428 3.561 20 0 EHADMM CC(C)c1ccc([C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824347655 608438339 /nfs/dbraw/zinc/43/83/39/608438339.db2.gz JGBICHRSXVKNNF-KRWDZBQOSA-N -1 1 349.442 3.512 20 0 EHADMM CC(C)c1ccc([C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824347655 608438340 /nfs/dbraw/zinc/43/83/40/608438340.db2.gz JGBICHRSXVKNNF-KRWDZBQOSA-N -1 1 349.442 3.512 20 0 EHADMM CN(CCc1ccccc1C(=O)[O-])Cc1nc2ccccc2s1 ZINC000322408422 970884172 /nfs/dbraw/zinc/88/41/72/970884172.db2.gz VBHDPJWNXYYVFQ-UHFFFAOYSA-N -1 1 326.421 3.669 20 0 EHADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C)cc1 ZINC000820939121 945594197 /nfs/dbraw/zinc/59/41/97/945594197.db2.gz QUWNQONKJHQGQV-LBPRGKRZSA-N -1 1 328.397 3.545 20 0 EHADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C)cc1 ZINC000820939121 945594201 /nfs/dbraw/zinc/59/42/01/945594201.db2.gz QUWNQONKJHQGQV-LBPRGKRZSA-N -1 1 328.397 3.545 20 0 EHADMM C[C@@H]1CCN(Cc2ccc(Cl)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000565421960 953614838 /nfs/dbraw/zinc/61/48/38/953614838.db2.gz IWYRVKQCRRVHIN-MWLCHTKSSA-N -1 1 346.652 3.645 20 0 EHADMM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC(C)(C(=O)[O-])CC1 ZINC000647374972 953957696 /nfs/dbraw/zinc/95/76/96/953957696.db2.gz PKNJIIJJDPQCQS-LLVKDONJSA-N -1 1 349.818 3.638 20 0 EHADMM O=C([O-])[C@@H]1CN(C/C=C\c2ccc(F)c(F)c2)Cc2ccccc21 ZINC001594953946 954971423 /nfs/dbraw/zinc/97/14/23/954971423.db2.gz QYTKDQUOTTVBMD-MJSXRHKHSA-N -1 1 329.346 3.662 20 0 EHADMM CCC(CC)(C(=O)[O-])C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001589481181 954975548 /nfs/dbraw/zinc/97/55/48/954975548.db2.gz NIBVJGZXZVOIIO-UHFFFAOYSA-N -1 1 344.198 3.699 20 0 EHADMM O=C([O-])c1ccc(CNc2ccccc2CN2CCSCC2)s1 ZINC000903673639 956853822 /nfs/dbraw/zinc/85/38/22/956853822.db2.gz BMEOBVWGOGGKKT-UHFFFAOYSA-N -1 1 348.493 3.607 20 0 EHADMM Cc1ccc(CN(C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)s1 ZINC001594359977 958438734 /nfs/dbraw/zinc/43/87/34/958438734.db2.gz DSDKTLZSXGZXLQ-CQSZACIVSA-N -1 1 348.468 3.583 20 0 EHADMM C[C@@H](NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccc(F)cc1 ZINC001594206535 959272781 /nfs/dbraw/zinc/27/27/81/959272781.db2.gz JOMHZAFDOFGXSY-HIFRSBDPSA-N -1 1 346.402 3.571 20 0 EHADMM C[C@@H](c1cc(F)ccc1F)N(C)CCOc1ccccc1C(=O)[O-] ZINC000183914219 959455325 /nfs/dbraw/zinc/45/53/25/959455325.db2.gz BLZLBQINKLFWRI-LBPRGKRZSA-N -1 1 335.350 3.735 20 0 EHADMM CSCC[C@H](C)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226738338 959902128 /nfs/dbraw/zinc/90/21/28/959902128.db2.gz FFYJYSPMUGLZPA-JTQLQIEISA-N -1 1 346.290 3.721 20 0 EHADMM Cc1ccc([C@H](C)NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001574359521 961016270 /nfs/dbraw/zinc/01/62/70/961016270.db2.gz LSVFZCVBXZUAJU-DOTOQJQBSA-N -1 1 342.439 3.740 20 0 EHADMM O=C([O-])c1cccc(CN2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000263396421 962556681 /nfs/dbraw/zinc/55/66/81/962556681.db2.gz GUOPHHCLGBNVJA-UHFFFAOYSA-N -1 1 345.826 3.522 20 0 EHADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC000263420280 962591567 /nfs/dbraw/zinc/59/15/67/962591567.db2.gz KYKFOJWRSBKXNG-QGZVFWFLSA-N -1 1 349.390 3.547 20 0 EHADMM Cc1ccc(-c2nc(CN3CCC[C@H](CCC(=O)[O-])C3)cs2)o1 ZINC000420280720 973970100 /nfs/dbraw/zinc/97/01/00/973970100.db2.gz ZHNUDOHPILRIDG-CYBMUJFWSA-N -1 1 334.441 3.788 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(Br)ccc1F)c1ccsc1 ZINC000426837055 974050822 /nfs/dbraw/zinc/05/08/22/974050822.db2.gz WFCMJNYYQNEBBQ-LBPRGKRZSA-N -1 1 344.205 3.565 20 0 EHADMM Cc1oc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1C(=O)[O-] ZINC000516872604 974310864 /nfs/dbraw/zinc/31/08/64/974310864.db2.gz IEXSCGHZKQTWEV-QGZVFWFLSA-N -1 1 343.423 3.510 20 0 EHADMM Cc1oc(CN2CC[C@@H](OCCCc3ccccc3)C2)cc1C(=O)[O-] ZINC000516872604 974310870 /nfs/dbraw/zinc/31/08/70/974310870.db2.gz IEXSCGHZKQTWEV-QGZVFWFLSA-N -1 1 343.423 3.510 20 0 EHADMM Cc1ccc(C)c(OC2CCN(Cc3ccoc3C(=O)[O-])CC2)c1 ZINC000520823660 974341685 /nfs/dbraw/zinc/34/16/85/974341685.db2.gz KYNMILITYICCBT-UHFFFAOYSA-N -1 1 329.396 3.638 20 0 EHADMM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000568296947 974668020 /nfs/dbraw/zinc/66/80/20/974668020.db2.gz ZMUOTOGHNHCCHS-LSDHHAIUSA-N -1 1 346.254 3.866 20 0 EHADMM COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)c1 ZINC000571172201 974724666 /nfs/dbraw/zinc/72/46/66/974724666.db2.gz QGSIPJDXYYEQGF-INIZCTEOSA-N -1 1 345.395 3.641 20 0 EHADMM COc1ccc([C@@H]2CCCN2Cc2csc(C(=O)[O-])c2)c(OC)c1 ZINC000580720051 974898544 /nfs/dbraw/zinc/89/85/44/974898544.db2.gz WJRHDAKHFXJACT-HNNXBMFYSA-N -1 1 347.436 3.801 20 0 EHADMM CSC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000601965789 975013587 /nfs/dbraw/zinc/01/35/87/975013587.db2.gz ZBWZFZXADROBCQ-CYBMUJFWSA-N -1 1 334.268 3.947 20 0 EHADMM O=C([O-])c1cccc(CN2CC[C@H](Oc3cccc(F)c3)C2)c1Cl ZINC000634697595 975275561 /nfs/dbraw/zinc/27/55/61/975275561.db2.gz MUBOWAHRTDZDNO-HNNXBMFYSA-N -1 1 349.789 3.831 20 0 EHADMM O=C([O-])c1cc(CN2CC[C@H](Oc3ccccc3Cl)C2)cs1 ZINC000652435125 975530248 /nfs/dbraw/zinc/53/02/48/975530248.db2.gz OUYKAVZYPVXZLP-LBPRGKRZSA-N -1 1 337.828 3.753 20 0 EHADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1s[n-]c(=O)c1Cl ZINC000339353632 1014273427 /nfs/dbraw/zinc/27/34/27/1014273427.db2.gz XCWXSGULWYZNCB-UHFFFAOYSA-N -1 1 344.730 3.568 20 0 EHADMM CC[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(OC)cc1 ZINC001595299807 980430699 /nfs/dbraw/zinc/43/06/99/980430699.db2.gz GRJZDDNNEWRYAR-HNNXBMFYSA-N -1 1 334.803 3.683 20 0 EHADMM Cc1ncsc1CN[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000901745994 980476309 /nfs/dbraw/zinc/47/63/09/980476309.db2.gz HDANXHYNBNSUJD-AWEZNQCLSA-N -1 1 345.251 3.848 20 0 EHADMM CCC1(CC)CCCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC001595374557 980885282 /nfs/dbraw/zinc/88/52/82/980885282.db2.gz HVNPXEUBKJMTGR-CQSZACIVSA-N -1 1 334.460 3.803 20 0 EHADMM CCC1(CC)CCN([C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001595375173 980893102 /nfs/dbraw/zinc/89/31/02/980893102.db2.gz VWPYOSATQRUOPC-LBPRGKRZSA-N -1 1 338.473 3.594 20 0 EHADMM CCc1oc(CN[C@@H](C)c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000902483961 980906983 /nfs/dbraw/zinc/90/69/83/980906983.db2.gz KEEWCGJJVXDEBA-LBPRGKRZSA-N -1 1 329.396 3.716 20 0 EHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(/C=C\C(=O)[O-])o1)CCC2 ZINC000902528486 980922486 /nfs/dbraw/zinc/92/24/86/980922486.db2.gz HCDATEVSVDTNCH-KVPUOBJLSA-N -1 1 346.452 3.906 20 0 EHADMM CCCN(Cc1cc(OC)c(C(=O)[O-])cc1Br)C1CC1 ZINC000903899583 981028078 /nfs/dbraw/zinc/02/80/78/981028078.db2.gz YQVCUGARGDUSKY-UHFFFAOYSA-N -1 1 342.233 3.530 20 0 EHADMM CC[C@@H](C)[C@@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)[O-] ZINC001594927933 982529370 /nfs/dbraw/zinc/52/93/70/982529370.db2.gz AAVBODSZZJAJRY-QMTHXVAHSA-N -1 1 331.441 3.552 20 0 EHADMM CCN(CCC(=O)[O-])Cc1cc2cc(Cl)ccc2nc1Cl ZINC001596314938 983746339 /nfs/dbraw/zinc/74/63/39/983746339.db2.gz VKWOCYMCDQVRGE-UHFFFAOYSA-N -1 1 327.211 3.838 20 0 EHADMM CCOCc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001596951113 986116843 /nfs/dbraw/zinc/11/68/43/986116843.db2.gz UZZDVPBVLOAKSQ-QGZVFWFLSA-N -1 1 333.815 3.792 20 0 EHADMM CC(C)(C(=O)[O-])[C@H](NCc1nccn1-c1ccccc1)c1ccccc1 ZINC001589601383 987426588 /nfs/dbraw/zinc/42/65/88/987426588.db2.gz LHJSBQQEURLJKD-LJQANCHMSA-N -1 1 349.434 3.814 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H](OC2CCC2)C1 ZINC000655283415 1015318174 /nfs/dbraw/zinc/31/81/74/1015318174.db2.gz IAAJPYXBJIVUGW-ZDUSSCGKSA-N -1 1 343.345 3.585 20 0 EHADMM CSC[C@@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001599794083 988064128 /nfs/dbraw/zinc/06/41/28/988064128.db2.gz HCUHZHSOWXAQGH-CYBMUJFWSA-N -1 1 346.452 3.615 20 0 EHADMM CSc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)c2ccccn12 ZINC000182860412 1015449016 /nfs/dbraw/zinc/44/90/16/1015449016.db2.gz UCJRVSFEJNRWSW-UHFFFAOYSA-N -1 1 333.800 3.668 20 0 EHADMM CCc1oc(C(=O)[O-])cc1CN1CCSC[C@H]1c1ccccc1 ZINC001597766564 989215614 /nfs/dbraw/zinc/21/56/14/989215614.db2.gz WWVAMDIIUNTMHL-HNNXBMFYSA-N -1 1 331.437 3.830 20 0 EHADMM CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)cc2[nH]1 ZINC001590545317 990180470 /nfs/dbraw/zinc/18/04/70/990180470.db2.gz CMAZQRFALCZTTM-HAQNSBGRSA-N -1 1 343.427 3.690 20 0 EHADMM O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1cncc([O-])c1 ZINC000339831593 1015714083 /nfs/dbraw/zinc/71/40/83/1015714083.db2.gz VPGNKCKCNHMSDX-UHFFFAOYSA-N -1 1 341.754 3.880 20 0 EHADMM CN(Cc1ccc(Cl)c(F)c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001598517536 992635959 /nfs/dbraw/zinc/63/59/59/992635959.db2.gz BFGNJPRFULMNGH-OAHLLOKOSA-N -1 1 325.742 3.876 20 0 EHADMM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cncc([O-])c1 ZINC000339842926 1015743510 /nfs/dbraw/zinc/74/35/10/1015743510.db2.gz LOXCWCGPFHTBRK-UHFFFAOYSA-N -1 1 347.374 3.600 20 0 EHADMM COc1ccc(OC2CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001599606856 993898140 /nfs/dbraw/zinc/89/81/40/993898140.db2.gz RUOFBYXSJXWOOO-CYBMUJFWSA-N -1 1 345.395 3.591 20 0 EHADMM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1cccc(OC(F)F)c1 ZINC001593194888 994143171 /nfs/dbraw/zinc/14/31/71/994143171.db2.gz ARDCYQPFLIANHC-ZJUUUORDSA-N -1 1 325.311 3.991 20 0 EHADMM C[C@@H](NCCSc1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593272194 994609156 /nfs/dbraw/zinc/60/91/56/994609156.db2.gz QALUZXYDDXOXNO-SECBINFHSA-N -1 1 342.873 3.938 20 0 EHADMM C[C@H](NCCc1c(F)cccc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593274204 994624282 /nfs/dbraw/zinc/62/42/82/994624282.db2.gz JTHBCBAOBWHSMP-QMMMGPOBSA-N -1 1 328.796 3.527 20 0 EHADMM C[C@](NCc1ccc(F)cc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298814 994716972 /nfs/dbraw/zinc/71/69/72/994716972.db2.gz NAOVYQQZNCSKBX-MRXNPFEDSA-N -1 1 325.742 3.708 20 0 EHADMM C[C@@H](NCc1cccc(Cl)c1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593303378 994734823 /nfs/dbraw/zinc/73/48/23/994734823.db2.gz BXUQTTPEGRVOKK-LLVKDONJSA-N -1 1 337.778 3.793 20 0 EHADMM C[C@@](NCc1cccc(F)n1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593304265 994743401 /nfs/dbraw/zinc/74/34/01/994743401.db2.gz KCVFCEYRWKOUSK-HNNXBMFYSA-N -1 1 343.185 3.617 20 0 EHADMM COc1cccc(CN[C@H](C)c2ccc(OCC(=O)[O-])cc2)c1Cl ZINC001599673789 994861275 /nfs/dbraw/zinc/86/12/75/994861275.db2.gz JTFJGXDQAAGWDL-GFCCVEGCSA-N -1 1 349.814 3.663 20 0 EHADMM COC[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC001599176951 996866538 /nfs/dbraw/zinc/86/65/38/996866538.db2.gz JNLNHUWNKYCFGY-MRXNPFEDSA-N -1 1 337.778 3.655 20 0 EHADMM COc1cccc([O-])c1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC001626362277 1016096489 /nfs/dbraw/zinc/09/64/89/1016096489.db2.gz WQSYPMJWIWGPFB-UHFFFAOYSA-N -1 1 327.355 3.622 20 0 EHADMM COc1ccc([C@@H](NCc2cc(F)ccc2F)C(=O)[O-])cc1Cl ZINC001599532522 997683522 /nfs/dbraw/zinc/68/35/22/997683522.db2.gz QTUNWSNURFEXSP-OAHLLOKOSA-N -1 1 341.741 3.542 20 0 EHADMM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1c(F)ccc([O-])c1F ZINC000343743369 1032141818 /nfs/dbraw/zinc/14/18/18/1032141818.db2.gz UOXAHBGSYBLPQP-UHFFFAOYSA-N -1 1 330.290 3.941 20 0 EHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccn(-c2cccc(F)c2)n1 ZINC000153639646 1016293708 /nfs/dbraw/zinc/29/37/08/1016293708.db2.gz FQGCWNAGESXYJC-UHFFFAOYSA-N -1 1 331.734 3.623 20 0 EHADMM C[C@@H]1CC[C@](NCc2ccc(F)cc2F)(C(=O)[O-])c2ccccc21 ZINC001594319937 999229781 /nfs/dbraw/zinc/22/97/81/999229781.db2.gz HAWZVWZTHVBEHB-CWTRNNRKSA-N -1 1 331.362 3.932 20 0 EHADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001594448709 999645222 /nfs/dbraw/zinc/64/52/22/999645222.db2.gz VZPWWSOPIHHBRQ-ADLMAVQZSA-N -1 1 349.390 3.566 20 0 EHADMM CN(Cc1ccccc1F)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180328875 1016896419 /nfs/dbraw/zinc/89/64/19/1016896419.db2.gz SNCTXGHSBPCLFT-UHFFFAOYSA-N -1 1 327.277 3.822 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccc(Br)cc1F ZINC000659797460 1017034522 /nfs/dbraw/zinc/03/45/22/1017034522.db2.gz HXSGWSYUWZYJHY-NRUUGDAUSA-N -1 1 344.224 3.662 20 0 EHADMM CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])c2ccccc21 ZINC000182035841 1017045713 /nfs/dbraw/zinc/04/57/13/1017045713.db2.gz MVDKXEBMZOBINJ-UHFFFAOYSA-N -1 1 336.313 3.508 20 0 EHADMM CC(C)(NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1nccs1 ZINC000182039099 1017047449 /nfs/dbraw/zinc/04/74/49/1017047449.db2.gz OEWYEQGEQFKRQM-UHFFFAOYSA-N -1 1 330.331 3.533 20 0 EHADMM [O-]c1ccc(Cc2nc(-c3ccc4c(c3)CCO4)no2)cc1Cl ZINC000904688810 1032181945 /nfs/dbraw/zinc/18/19/45/1032181945.db2.gz AVMIZFWWIODUED-UHFFFAOYSA-N -1 1 328.755 3.621 20 0 EHADMM Cc1c2ccccc2nc(C[N@H+]2CCS[C@@H](C(C)C)C2)c1C(=O)[O-] ZINC000584356249 1032192234 /nfs/dbraw/zinc/19/22/34/1032192234.db2.gz FMHCSPMSPHEIEY-QGZVFWFLSA-N -1 1 344.480 3.815 20 0 EHADMM COc1ccc(-c2nc(-c3cnc4ccsc4c3)no2)c([O-])c1 ZINC000321146261 1032336421 /nfs/dbraw/zinc/33/64/21/1032336421.db2.gz FOBPRDQHRLUYFC-UHFFFAOYSA-N -1 1 325.349 3.728 20 0 EHADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3C)ccc12 ZINC000461342022 1032408653 /nfs/dbraw/zinc/40/86/53/1032408653.db2.gz MFVAFIGRFHVOBX-UHFFFAOYSA-N -1 1 349.843 3.644 20 0 EHADMM O=S(=O)([N-]Cc1coc2ccccc12)c1cc2ccccc2o1 ZINC000084938216 1032469023 /nfs/dbraw/zinc/46/90/23/1032469023.db2.gz VYLRGCZPDIREFV-UHFFFAOYSA-N -1 1 327.361 3.658 20 0 EHADMM CO[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1(C)C ZINC000584422373 1032500488 /nfs/dbraw/zinc/50/04/88/1032500488.db2.gz UWYLCJJVCRXCNJ-KGLIPLIRSA-N -1 1 346.254 3.866 20 0 EHADMM Cc1cnc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c([O-])c1 ZINC000460186655 1032651604 /nfs/dbraw/zinc/65/16/04/1032651604.db2.gz GNHLZUMBTMOAEG-UHFFFAOYSA-N -1 1 346.377 3.959 20 0 EHADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1coc(C2CCC2)n1 ZINC000683438728 1017091710 /nfs/dbraw/zinc/09/17/10/1017091710.db2.gz UBEVQDIWLWHAHK-UHFFFAOYSA-N -1 1 326.381 3.713 20 0 EHADMM C[C@H](C(=O)[O-])[C@@H](NCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000669472489 1032705840 /nfs/dbraw/zinc/70/58/40/1032705840.db2.gz WNMMGMVQEBDJKZ-YVEFUNNKSA-N -1 1 330.453 3.574 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnc2ccc(F)cc2c1 ZINC000340463673 1017934304 /nfs/dbraw/zinc/93/43/04/1017934304.db2.gz XKZZCGXSGJYLGD-UHFFFAOYSA-N -1 1 348.337 3.722 20 0 EHADMM CCCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n[nH]1 ZINC000471520983 1018501499 /nfs/dbraw/zinc/50/14/99/1018501499.db2.gz HKKUHEPMCGHEAN-UHFFFAOYSA-N -1 1 348.255 3.860 20 0 EHADMM CNC(=O)[C@H]1CCCc2sc(/C=C\c3cccc([O-])c3Cl)nc21 ZINC000656105106 1018537384 /nfs/dbraw/zinc/53/73/84/1018537384.db2.gz JYRWVXOFCUZDNU-IQQGHNRFSA-N -1 1 348.855 3.838 20 0 EHADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000500951669 1018749748 /nfs/dbraw/zinc/74/97/48/1018749748.db2.gz QQUHQNQPPBYBPT-NEPJUHHUSA-N -1 1 345.374 3.581 20 0 EHADMM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000683889760 1019105559 /nfs/dbraw/zinc/10/55/59/1019105559.db2.gz HRUXVULZPNOZFP-OAHLLOKOSA-N -1 1 337.778 3.644 20 0 EHADMM CC(=O)Nc1ccc(/C=C\C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000255504937 1019284535 /nfs/dbraw/zinc/28/45/35/1019284535.db2.gz CPWZTVMWMAXNSG-WTKPLQERSA-N -1 1 330.771 3.656 20 0 EHADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@H](CCO)c1ccccc1 ZINC000092764342 1032841174 /nfs/dbraw/zinc/84/11/74/1032841174.db2.gz OAGVTNRGIYGXGI-LJQANCHMSA-N -1 1 335.403 3.741 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1OC(F)F ZINC000513384237 1019608929 /nfs/dbraw/zinc/60/89/29/1019608929.db2.gz NOJQDJHOOPCQNK-UHFFFAOYSA-N -1 1 327.352 3.706 20 0 EHADMM COC(=O)c1[n-]c(=N[C@H](C)c2c(F)cccc2Cl)sc1C ZINC000433785084 1019608998 /nfs/dbraw/zinc/60/89/98/1019608998.db2.gz OZINBVFDKCJTKT-SSDOTTSWSA-N -1 1 328.796 3.626 20 0 EHADMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000340724979 1019612599 /nfs/dbraw/zinc/61/25/99/1019612599.db2.gz NUZSQKSCYHUSPW-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n[nH]1 ZINC000760317599 1032847797 /nfs/dbraw/zinc/84/77/97/1032847797.db2.gz KAWSJCXYPHTJHJ-BZYZDCJZSA-N -1 1 337.420 3.865 20 0 EHADMM Cc1cnc(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000580660453 1019806446 /nfs/dbraw/zinc/80/64/46/1019806446.db2.gz PCMYKRKTUJPJBQ-GFCCVEGCSA-N -1 1 345.468 3.907 20 0 EHADMM Cc1c(S(=O)(=O)[N-]c2cccc(F)c2F)c2ccccc2n1C ZINC000340741369 1019881912 /nfs/dbraw/zinc/88/19/12/1019881912.db2.gz PGEMYPAAGCFMAQ-UHFFFAOYSA-N -1 1 336.363 3.566 20 0 EHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000340770317 1019971051 /nfs/dbraw/zinc/97/10/51/1019971051.db2.gz CDINIEIAGODSHP-UHFFFAOYSA-N -1 1 325.336 3.628 20 0 EHADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(COC)cc2)c1 ZINC000340777139 1019971931 /nfs/dbraw/zinc/97/19/31/1019971931.db2.gz ZGICSFUMISBVOU-UHFFFAOYSA-N -1 1 337.466 3.746 20 0 EHADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cccnc1C1CC1 ZINC000345151934 1019988721 /nfs/dbraw/zinc/98/87/21/1019988721.db2.gz PAMHXVNSRDUZEZ-UHFFFAOYSA-N -1 1 344.827 3.738 20 0 EHADMM Cc1c(Br)ccc(C(=O)Nc2c([O-])cccc2F)c1F ZINC000684057008 1020033455 /nfs/dbraw/zinc/03/34/55/1020033455.db2.gz IHDHGERQYRZUNU-UHFFFAOYSA-N -1 1 342.139 3.994 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1c[nH]nc1-c1ccsc1 ZINC000345602807 1020396864 /nfs/dbraw/zinc/39/68/64/1020396864.db2.gz GQEVZPGUDSYRIN-UHFFFAOYSA-N -1 1 337.763 3.889 20 0 EHADMM CCc1nnc([N-]C(=O)c2c(C)onc2-c2ccccc2C)s1 ZINC000280521789 1020438032 /nfs/dbraw/zinc/43/80/32/1020438032.db2.gz HVMALAMKMMJJKA-UHFFFAOYSA-N -1 1 328.397 3.625 20 0 EHADMM COc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)c([O-])c1 ZINC000094020675 1032927854 /nfs/dbraw/zinc/92/78/54/1032927854.db2.gz JFTBMNQSYQMARE-UHFFFAOYSA-N -1 1 326.377 3.777 20 0 EHADMM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)c(C)c1 ZINC000656567488 1020924142 /nfs/dbraw/zinc/92/41/42/1020924142.db2.gz RANVUSWCSXRKLS-KRWDZBQOSA-N -1 1 335.350 3.587 20 0 EHADMM C[C@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1cccc2ccccc21 ZINC000607052461 1032956838 /nfs/dbraw/zinc/95/68/38/1032956838.db2.gz QFVBMMHKGARTBK-LBPRGKRZSA-N -1 1 337.448 3.784 20 0 EHADMM COCCOc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436765082 1021211274 /nfs/dbraw/zinc/21/12/74/1021211274.db2.gz ATRPFJHAFMQUHE-UHFFFAOYSA-N -1 1 329.396 3.793 20 0 EHADMM CC(C)(C)[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000436764523 1021213216 /nfs/dbraw/zinc/21/32/16/1021213216.db2.gz RQKXWKUDXOBZBL-BXUZGUMPSA-N -1 1 345.361 3.735 20 0 EHADMM COc1cc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)cc(Cl)c1[O-] ZINC000436766209 1021213549 /nfs/dbraw/zinc/21/35/49/1021213549.db2.gz RNNDIEAFEJVCOI-NSHDSACASA-N -1 1 349.814 3.862 20 0 EHADMM CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc2ccccc2c1[O-] ZINC000436799733 1021221081 /nfs/dbraw/zinc/22/10/81/1021221081.db2.gz ZGHTVXSHNDELQZ-UHFFFAOYSA-N -1 1 343.423 3.739 20 0 EHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1COc2ccccc21 ZINC000436787070 1021228331 /nfs/dbraw/zinc/22/83/31/1021228331.db2.gz MIGBPNLSAYWQLE-ACJLOTCBSA-N -1 1 333.387 3.840 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cnc4c(F)cccc4c3)n2)cc1F ZINC000436786782 1021229015 /nfs/dbraw/zinc/22/90/15/1021229015.db2.gz ZJNHJWGNWLXBTH-UHFFFAOYSA-N -1 1 325.274 3.936 20 0 EHADMM O=C(Nc1ccc2nccnc2c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436790992 1021232812 /nfs/dbraw/zinc/23/28/12/1021232812.db2.gz IOIJDTGTBGTIPL-UHFFFAOYSA-N -1 1 333.269 3.607 20 0 EHADMM COCCN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCSC1 ZINC000436806542 1021253836 /nfs/dbraw/zinc/25/38/36/1021253836.db2.gz GJDRGANXNKRIAZ-OAHLLOKOSA-N -1 1 345.464 3.530 20 0 EHADMM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cc(F)ccc1[O-] ZINC000436813087 1021257876 /nfs/dbraw/zinc/25/78/76/1021257876.db2.gz CRVADCUYZNLSNQ-UHFFFAOYSA-N -1 1 349.321 3.987 20 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IYTYIVRGQTYJCP-UHFFFAOYSA-N -1 1 333.359 3.970 20 0 EHADMM [O-]c1ccc(-c2noc(-c3csc(C(F)(F)F)n3)n2)c(F)c1 ZINC000436870836 1021311573 /nfs/dbraw/zinc/31/15/73/1021311573.db2.gz GFWWLKLJBJHCDJ-UHFFFAOYSA-N -1 1 331.250 3.724 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(Cc4ccccc4)[nH]n3)n2)cc1F ZINC000436877531 1021329328 /nfs/dbraw/zinc/32/93/28/1021329328.db2.gz HCUQPMABTDTSKK-UHFFFAOYSA-N -1 1 336.326 3.562 20 0 EHADMM CC(C)Cc1cccc([C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000507528079 1021335750 /nfs/dbraw/zinc/33/57/50/1021335750.db2.gz HYGXWVBLXQBCEE-JTQLQIEISA-N -1 1 340.349 3.764 20 0 EHADMM [O-]c1c(-c2nc(-c3ccc4c(c3)OCO4)no2)ccc2ccccc21 ZINC000436884466 1021336954 /nfs/dbraw/zinc/33/69/54/1021336954.db2.gz CXOJSDASKZWBOD-UHFFFAOYSA-N -1 1 332.315 3.991 20 0 EHADMM O=C(c1cc(F)ccc1[O-])N1CC=C(c2c(F)cccc2F)CC1 ZINC000436903353 1021344988 /nfs/dbraw/zinc/34/49/88/1021344988.db2.gz MMLQPNSSLUOTBV-UHFFFAOYSA-N -1 1 333.309 3.739 20 0 EHADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(C)C)ccc1F ZINC000507570016 1021353045 /nfs/dbraw/zinc/35/30/45/1021353045.db2.gz XGDAHQMKDBZLQO-UHFFFAOYSA-N -1 1 335.400 3.953 20 0 EHADMM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436911916 1021355369 /nfs/dbraw/zinc/35/53/69/1021355369.db2.gz VGYBTIZUGYMDFG-IEBWSBKVSA-N -1 1 337.419 3.651 20 0 EHADMM CC[C@H](C)c1ncc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cn1 ZINC000436920243 1021376448 /nfs/dbraw/zinc/37/64/48/1021376448.db2.gz OODLFTSAEFVQBR-VIFPVBQESA-N -1 1 335.791 3.610 20 0 EHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(Cc2ccon2)no1 ZINC000436926847 1021388044 /nfs/dbraw/zinc/38/80/44/1021388044.db2.gz LLTJGUGJQOVMOH-UHFFFAOYSA-N -1 1 335.319 3.813 20 0 EHADMM O=C(NCc1cc2ccccc2[nH]1)c1cc(Br)ccc1[O-] ZINC000436927723 1021390055 /nfs/dbraw/zinc/39/00/55/1021390055.db2.gz QMWGBSHOECQINS-UHFFFAOYSA-N -1 1 345.196 3.566 20 0 EHADMM O=C(N[C@H](c1cccc(F)c1)C1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436944800 1021406439 /nfs/dbraw/zinc/40/64/39/1021406439.db2.gz RKQVKMUUNMROHY-SFHVURJKSA-N -1 1 341.382 3.762 20 0 EHADMM C[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])CC1(C)C ZINC000436957608 1021421723 /nfs/dbraw/zinc/42/17/23/1021421723.db2.gz YZWDOOQQMHXAAK-SNVBAGLBSA-N -1 1 326.234 3.663 20 0 EHADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(Br)ccc1[O-] ZINC000436973701 1021428140 /nfs/dbraw/zinc/42/81/40/1021428140.db2.gz UNGRNHLSPHOUKJ-GYSYKLTISA-N -1 1 338.245 3.948 20 0 EHADMM O=C(C(=O)N1CCCC[C@H]1CCc1ccccc1)c1ccc([O-])cc1 ZINC000436984786 1021455576 /nfs/dbraw/zinc/45/55/76/1021455576.db2.gz NJRBYPAZZFUYHP-SFHVURJKSA-N -1 1 337.419 3.589 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)[C@H](c3cccnc3)C(C)C)[nH][n-]2)s1 ZINC000437387141 1021775896 /nfs/dbraw/zinc/77/58/96/1021775896.db2.gz PBWOHYXMSPPIEJ-KRWDZBQOSA-N -1 1 340.452 3.642 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1C ZINC000439989827 1021883079 /nfs/dbraw/zinc/88/30/79/1021883079.db2.gz SHDVPXHLTBXIOJ-UHFFFAOYSA-N -1 1 327.405 3.963 20 0 EHADMM Cc1ccc(Nc2nc(C[N@@H+]3C[C@@H](C)[C@@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000517161649 1022078806 /nfs/dbraw/zinc/07/88/06/1022078806.db2.gz YIBLPBYKHWVZBO-ACJLOTCBSA-N -1 1 345.468 3.738 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccnc(C3CC3)c2)c1 ZINC000341563220 1022347991 /nfs/dbraw/zinc/34/79/91/1022347991.db2.gz LVOGTNSWHNHNTH-UHFFFAOYSA-N -1 1 347.212 3.988 20 0 EHADMM Cc1ccccc1-c1ccccc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001270631553 1022436033 /nfs/dbraw/zinc/43/60/33/1022436033.db2.gz ROJDFENHMSEDNN-UHFFFAOYSA-N -1 1 342.402 3.570 20 0 EHADMM Cc1nc(NC(=O)CCC(C)(C)C)sc1-c1n[n-]c(=S)n1C ZINC000156529077 1022514102 /nfs/dbraw/zinc/51/41/02/1022514102.db2.gz RGJJESZYVOAAQP-UHFFFAOYSA-N -1 1 339.490 3.674 20 0 EHADMM Cc1nc(CNCc2ccc(OCCC(C)C)cc2)ccc1C(=O)[O-] ZINC000426664232 1022633792 /nfs/dbraw/zinc/63/37/92/1022633792.db2.gz DNOSTJFDJFEBDX-UHFFFAOYSA-N -1 1 342.439 3.803 20 0 EHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000426005277 1022664027 /nfs/dbraw/zinc/66/40/27/1022664027.db2.gz RMPMOHCQCKPNNK-UHFFFAOYSA-N -1 1 349.839 3.968 20 0 EHADMM COc1ccc(-c2nc(-c3ccccc3Br)no2)c([O-])c1 ZINC000111689404 1022704788 /nfs/dbraw/zinc/70/47/88/1022704788.db2.gz NNLCHQWRFMLJRP-UHFFFAOYSA-N -1 1 347.168 3.880 20 0 EHADMM CC1(C)CCCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000438504731 1022716592 /nfs/dbraw/zinc/71/65/92/1022716592.db2.gz LEUBYYGMXLXZRP-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c(C)s1 ZINC000111995497 1022784307 /nfs/dbraw/zinc/78/43/07/1022784307.db2.gz XSHHYBAQVQEGAX-UHFFFAOYSA-N -1 1 336.482 3.766 20 0 EHADMM CCOCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000438727798 1022945247 /nfs/dbraw/zinc/94/52/47/1022945247.db2.gz SIGQMVOHYKZMFF-UHFFFAOYSA-N -1 1 339.844 3.986 20 0 EHADMM Cc1nn(-c2ccccc2)cc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000426691973 1022979298 /nfs/dbraw/zinc/97/92/98/1022979298.db2.gz NHIAPFXDXZUFHH-QGZVFWFLSA-N -1 1 341.436 3.548 20 0 EHADMM CCCCOc1ccc(CCNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000438765408 1022982037 /nfs/dbraw/zinc/98/20/37/1022982037.db2.gz OGZRSKZULWLNNB-UHFFFAOYSA-N -1 1 349.377 3.822 20 0 EHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OCC(C)C)cc2)o1 ZINC000426786390 1023047842 /nfs/dbraw/zinc/04/78/42/1023047842.db2.gz VERNRJYXPSVSEG-QGZVFWFLSA-N -1 1 331.412 3.928 20 0 EHADMM CC(C)(C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1cccc(F)c1 ZINC000426201121 1023084749 /nfs/dbraw/zinc/08/47/49/1023084749.db2.gz MCQHGPALJILVKU-UHFFFAOYSA-N -1 1 329.400 3.616 20 0 EHADMM Cc1sc2nc(-c3ccc(Br)cn3)[n-]c(=O)c2c1C ZINC000431035485 1023160004 /nfs/dbraw/zinc/16/00/04/1023160004.db2.gz BHBKNVJMQKEZIH-UHFFFAOYSA-N -1 1 336.214 3.838 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000439054129 1023244580 /nfs/dbraw/zinc/24/45/80/1023244580.db2.gz DSSNVUAGIBGYOI-LAUBAEHRSA-N -1 1 345.402 3.625 20 0 EHADMM CCC[C@@H](C)[C@H]1CCCN1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000133126222 1023292020 /nfs/dbraw/zinc/29/20/20/1023292020.db2.gz HZBBVZVFTNQSPX-CXAGYDPISA-N -1 1 340.471 3.854 20 0 EHADMM CCC(=O)N1CCc2ccc(NCc3cccc([O-])c3Cl)cc21 ZINC000897767220 1033155491 /nfs/dbraw/zinc/15/54/91/1033155491.db2.gz OCPOWRPRAKDLEM-UHFFFAOYSA-N -1 1 330.815 3.957 20 0 EHADMM CCCCOc1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000511259722 1033164842 /nfs/dbraw/zinc/16/48/42/1033164842.db2.gz QLABTNPYQXYRTM-UHFFFAOYSA-N -1 1 347.436 3.869 20 0 EHADMM [O-]c1ccc(-c2noc([C@@H](C[C@@H]3CCCO3)C(F)(F)F)n2)cc1F ZINC000650590752 1024016009 /nfs/dbraw/zinc/01/60/09/1024016009.db2.gz IXBBNDPDNVXWRP-VHSXEESVSA-N -1 1 346.280 3.796 20 0 EHADMM O=C([N-]c1cc(Cl)cc(F)c1F)c1cc(-c2ccccn2)no1 ZINC000441562046 1024072719 /nfs/dbraw/zinc/07/27/19/1024072719.db2.gz BDAVNFWQEVCLMP-UHFFFAOYSA-N -1 1 335.697 3.921 20 0 EHADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000443943719 1024141819 /nfs/dbraw/zinc/14/18/19/1024141819.db2.gz LWVBLZBBADQOSN-KCJUWKMLSA-N -1 1 329.771 3.595 20 0 EHADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H](CSc2ccccc2)C1 ZINC000280879783 1024391598 /nfs/dbraw/zinc/39/15/98/1024391598.db2.gz YPLYFDRVIXNINQ-GFCCVEGCSA-N -1 1 349.402 3.925 20 0 EHADMM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ncccc1[O-] ZINC000346114999 1024413958 /nfs/dbraw/zinc/41/39/58/1024413958.db2.gz WDFNHKRRGUIXIW-NSHDSACASA-N -1 1 338.329 3.509 20 0 EHADMM CCc1ccc(NC(=O)[C@H](C)Sc2nc(CC)c(C)c(=O)[n-]2)cc1 ZINC000657263673 1024431856 /nfs/dbraw/zinc/43/18/56/1024431856.db2.gz QLYPJRPXKMISNZ-LBPRGKRZSA-N -1 1 345.468 3.735 20 0 EHADMM COc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000277291791 1024481853 /nfs/dbraw/zinc/48/18/53/1024481853.db2.gz MMGZJDRWUDXXBI-KRWDZBQOSA-N -1 1 328.412 3.519 20 0 EHADMM O=S(=O)([N-]c1cccc2c1CCCC2)c1cc(F)c(F)c(F)c1 ZINC000607611544 1033214689 /nfs/dbraw/zinc/21/46/89/1033214689.db2.gz KKMZABFWIZGEMO-UHFFFAOYSA-N -1 1 341.354 3.784 20 0 EHADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000011639390 1024493304 /nfs/dbraw/zinc/49/33/04/1024493304.db2.gz CHCHOLQJZQRDDA-ZDUSSCGKSA-N -1 1 346.224 3.784 20 0 EHADMM CC1CC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000474200259 1024570046 /nfs/dbraw/zinc/57/00/46/1024570046.db2.gz UBSZBEVPILPSKZ-UHFFFAOYSA-N -1 1 328.648 3.724 20 0 EHADMM Cc1n[n-]c(=NCc2cccc(OCc3ccccc3)c2)n1C1CC1 ZINC000340714493 1024635468 /nfs/dbraw/zinc/63/54/68/1024635468.db2.gz YWBPLIWMDLGLOJ-UHFFFAOYSA-N -1 1 334.423 3.534 20 0 EHADMM CCn1c2ccc(C(=O)[O-])cc2nc1C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000514730550 1024706134 /nfs/dbraw/zinc/70/61/34/1024706134.db2.gz RLCALTFJDJHJAE-ZDUSSCGKSA-N -1 1 329.444 3.622 20 0 EHADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CC[C@H](C)C(C)(C)C1 ZINC000514730550 1024706145 /nfs/dbraw/zinc/70/61/45/1024706145.db2.gz RLCALTFJDJHJAE-ZDUSSCGKSA-N -1 1 329.444 3.622 20 0 EHADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc2c(c1)CCCO2 ZINC001167510109 1024801184 /nfs/dbraw/zinc/80/11/84/1024801184.db2.gz WHSDFIXOVYURMS-NSHDSACASA-N -1 1 331.799 3.862 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1c(F)cccc1F ZINC000474420071 1024931502 /nfs/dbraw/zinc/93/15/02/1024931502.db2.gz ZIYCVMWSVCNCEO-UHFFFAOYSA-N -1 1 341.383 3.536 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1ccccc1Cl ZINC000474424444 1024942466 /nfs/dbraw/zinc/94/24/66/1024942466.db2.gz DCRHMHBDRAVJQU-UHFFFAOYSA-N -1 1 339.848 3.912 20 0 EHADMM O=S(=O)([N-]c1cc(C2CCCCCC2)n[nH]1)c1cccc(F)c1 ZINC000474431629 1024955037 /nfs/dbraw/zinc/95/50/37/1024955037.db2.gz OMDRKHBUEOSWRG-UHFFFAOYSA-N -1 1 337.420 3.787 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)cc1C ZINC000515326970 1025166108 /nfs/dbraw/zinc/16/61/08/1025166108.db2.gz YCQRRVQFORIDQI-UHFFFAOYSA-N -1 1 334.441 3.534 20 0 EHADMM CCSc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc1 ZINC000505731577 1025256023 /nfs/dbraw/zinc/25/60/23/1025256023.db2.gz OOUGMOROOMBORE-UHFFFAOYSA-N -1 1 331.393 3.543 20 0 EHADMM Cc1cccnc1[C@@H](NCc1nc(=O)c2sccc2[n-]1)C(C)(C)C ZINC000934292861 1025294015 /nfs/dbraw/zinc/29/40/15/1025294015.db2.gz SVMHTIXEZJIDAS-MRXNPFEDSA-N -1 1 342.468 3.977 20 0 EHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)c1cccc(OC)c1 ZINC000442645234 1025407732 /nfs/dbraw/zinc/40/77/32/1025407732.db2.gz IVCVMOCPCJAGHY-UHFFFAOYSA-N -1 1 335.787 3.730 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)ccc1F ZINC000436198911 1025469539 /nfs/dbraw/zinc/46/95/39/1025469539.db2.gz OOJHHKLNSVYNAH-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@H]1CCCC[C@H]1C ZINC000474811179 1025491803 /nfs/dbraw/zinc/49/18/03/1025491803.db2.gz NHQHUHHOBKNIDC-TZMCWYRMSA-N -1 1 333.476 3.734 20 0 EHADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1c[nH]nc1-c1ccccc1 ZINC000342456504 1025607572 /nfs/dbraw/zinc/60/75/72/1025607572.db2.gz YLBKIGHUZJDHBV-UHFFFAOYSA-N -1 1 347.827 3.672 20 0 EHADMM COc1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc(Cl)c1[O-] ZINC000442965360 1025626734 /nfs/dbraw/zinc/62/67/34/1025626734.db2.gz IOEGHDZHBAQWJS-MGPLVRAMSA-N -1 1 331.799 3.718 20 0 EHADMM COc1cc(C(=O)NCC(C)(C)Oc2ccccc2)cc(Cl)c1[O-] ZINC000442971680 1025633908 /nfs/dbraw/zinc/63/39/08/1025633908.db2.gz ZXURHMGFWDEVKR-UHFFFAOYSA-N -1 1 349.814 3.642 20 0 EHADMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451212045 1025681990 /nfs/dbraw/zinc/68/19/90/1025681990.db2.gz NZLFGMCYZFXZLS-OLZOCXBDSA-N -1 1 343.445 3.524 20 0 EHADMM COc1cc(C(=O)NCCCCc2ccccc2)cc(Cl)c1[O-] ZINC000684816831 1025791098 /nfs/dbraw/zinc/79/10/98/1025791098.db2.gz FIIRZKXZGRKCGU-UHFFFAOYSA-N -1 1 333.815 3.807 20 0 EHADMM COCc1cccc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)c1 ZINC000443199073 1025803841 /nfs/dbraw/zinc/80/38/41/1025803841.db2.gz SIEDYJIQVPDHGV-UHFFFAOYSA-N -1 1 346.770 3.918 20 0 EHADMM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(O)cc1[O-] ZINC000436512205 1025806589 /nfs/dbraw/zinc/80/65/89/1025806589.db2.gz JZPYWBCSPZACJZ-UHFFFAOYSA-N -1 1 347.783 3.522 20 0 EHADMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2c([O-])cccc2F)cc1 ZINC000436511337 1025807322 /nfs/dbraw/zinc/80/73/22/1025807322.db2.gz IGZIBAHAVDSJBP-BEFAXECRSA-N -1 1 343.398 3.737 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3ccccc3)o2)c1 ZINC000436501662 1025814443 /nfs/dbraw/zinc/81/44/43/1025814443.db2.gz DZYWOEHXYZRDND-UHFFFAOYSA-N -1 1 337.331 3.691 20 0 EHADMM [O-]c1cccc(CNc2ccn(-c3ccccc3Cl)n2)c1Cl ZINC000436519794 1025817119 /nfs/dbraw/zinc/81/71/19/1025817119.db2.gz BJOKRVJVKFKHPI-UHFFFAOYSA-N -1 1 334.206 3.919 20 0 EHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(OC(F)F)cc1 ZINC000436525924 1025828482 /nfs/dbraw/zinc/82/84/82/1025828482.db2.gz HNUIFFGXLAWWPW-VIFPVBQESA-N -1 1 325.286 3.624 20 0 EHADMM O=C(CCc1ccc(Cl)cc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000515986840 1025838026 /nfs/dbraw/zinc/83/80/26/1025838026.db2.gz DQFIEPIOHNOKBU-UHFFFAOYSA-N -1 1 331.828 3.785 20 0 EHADMM C[C@@H]1C[C@@H]1[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000436518483 1025847600 /nfs/dbraw/zinc/84/76/00/1025847600.db2.gz YNDWJHNPDISZJR-ZTFRIQLXSA-N -1 1 343.810 3.742 20 0 EHADMM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cc2ccccc2cc1[O-] ZINC000436540077 1025873367 /nfs/dbraw/zinc/87/33/67/1025873367.db2.gz WBESEQWTQDMLIZ-GOSISDBHSA-N -1 1 349.386 3.965 20 0 EHADMM COCCOc1ccc(F)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436567849 1025898260 /nfs/dbraw/zinc/89/82/60/1025898260.db2.gz PIUVLCJOAYDNJQ-UHFFFAOYSA-N -1 1 347.386 3.932 20 0 EHADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436569305 1025899940 /nfs/dbraw/zinc/89/99/40/1025899940.db2.gz CIYHJDWJLLHWRH-ZDUSSCGKSA-N -1 1 326.234 3.805 20 0 EHADMM CN1CCN(C(=O)c2cc3ccccc3cc2[O-])c2ccc(F)cc21 ZINC000436579061 1025920042 /nfs/dbraw/zinc/92/00/42/1025920042.db2.gz YCGLJKXRTZBIBR-UHFFFAOYSA-N -1 1 336.366 3.781 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCSC2(CCCCC2)C1 ZINC000436589922 1025927686 /nfs/dbraw/zinc/92/76/86/1025927686.db2.gz QVEISAQDTQJXGZ-UHFFFAOYSA-N -1 1 325.861 3.938 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(C)cc(OC)c2C)c1 ZINC000443407132 1025985903 /nfs/dbraw/zinc/98/59/03/1025985903.db2.gz CKDPACCKHVKBGW-UHFFFAOYSA-N -1 1 335.425 3.512 20 0 EHADMM O=C(NCc1cccc(Oc2ccccc2)c1)C(=O)c1ccc([O-])cc1 ZINC000436667092 1026005507 /nfs/dbraw/zinc/00/55/07/1026005507.db2.gz SPHVDMKMJKOUIP-UHFFFAOYSA-N -1 1 347.370 3.684 20 0 EHADMM Cc1ccnc([C@@H](NC(=O)c2cc3ccccc3cc2[O-])C2CC2)n1 ZINC000436679061 1026028335 /nfs/dbraw/zinc/02/83/35/1026028335.db2.gz JGFAZDITHJGLPU-SFHVURJKSA-N -1 1 333.391 3.525 20 0 EHADMM COc1cc(-c2nc(Cc3cccc(F)c3)no2)cc(Cl)c1[O-] ZINC000436685894 1026038669 /nfs/dbraw/zinc/03/86/69/1026038669.db2.gz MWIBYCDKSSMXLX-UHFFFAOYSA-N -1 1 334.734 3.834 20 0 EHADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1NC(=O)C(C)(C)C ZINC000110460798 1026040410 /nfs/dbraw/zinc/04/04/10/1026040410.db2.gz NAVQSVPIGNJNIL-UHFFFAOYSA-N -1 1 326.396 3.938 20 0 EHADMM CCc1ccc([C@H]2CCCCCN2C(=O)C(=O)c2ccc([O-])cc2)o1 ZINC000436700558 1026060489 /nfs/dbraw/zinc/06/04/89/1026060489.db2.gz WHMPWZLVSXHDRJ-QGZVFWFLSA-N -1 1 341.407 3.874 20 0 EHADMM COc1cnc2ccccc2c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000436705604 1026067911 /nfs/dbraw/zinc/06/79/11/1026067911.db2.gz RZAGYCKKEHNJSH-UHFFFAOYSA-N -1 1 328.755 3.855 20 0 EHADMM O=C(NCc1ccc(-c2ccccc2)cc1F)C(=O)c1ccc([O-])cc1 ZINC000436706552 1026071065 /nfs/dbraw/zinc/07/10/65/1026071065.db2.gz 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1026141691 /nfs/dbraw/zinc/14/16/91/1026141691.db2.gz UYFNRYGOGQLLJJ-UHFFFAOYSA-N -1 1 345.361 3.738 20 0 EHADMM Cc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436753269 1026142557 /nfs/dbraw/zinc/14/25/57/1026142557.db2.gz DFYWHZZDXYQFFM-UHFFFAOYSA-N -1 1 346.430 3.816 20 0 EHADMM CCN(C(=O)c1cc(F)ccc1[O-])c1cccc(Br)c1 ZINC000436756842 1026147390 /nfs/dbraw/zinc/14/73/90/1026147390.db2.gz QONQBTSCXKCIQW-UHFFFAOYSA-N -1 1 338.176 3.961 20 0 EHADMM Cc1nc(-c2ccc(NCc3ccc(Cl)nc3)nc2)[n-]c(=O)c1C ZINC000301381444 1026785207 /nfs/dbraw/zinc/78/52/07/1026785207.db2.gz UQOQGXJUFBYJMC-UHFFFAOYSA-N -1 1 341.802 3.522 20 0 EHADMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531486401 1026979377 /nfs/dbraw/zinc/97/93/77/1026979377.db2.gz HFVHNOOMQXCWNQ-HIFRSBDPSA-N -1 1 339.482 3.775 20 0 EHADMM C[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)Cc1cccs1 ZINC000531487455 1026981952 /nfs/dbraw/zinc/98/19/52/1026981952.db2.gz NLDCLFRRZPEEEY-LBPRGKRZSA-N -1 1 335.450 3.651 20 0 EHADMM Cc1nc(-c2ccc(N[C@H]3CC(C)(C)OC3(C)C)nc2)[n-]c(=O)c1C ZINC000302041609 1027032563 /nfs/dbraw/zinc/03/25/63/1027032563.db2.gz LQBVTBADQWLALQ-AWEZNQCLSA-N -1 1 342.443 3.619 20 0 EHADMM Cc1nc(-c2ccc(N[C@@H]3CC(C)(C)OC3(C)C)nc2)[n-]c(=O)c1C ZINC000302041612 1027033161 /nfs/dbraw/zinc/03/31/61/1027033161.db2.gz LQBVTBADQWLALQ-CQSZACIVSA-N -1 1 342.443 3.619 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000074932403 1027090038 /nfs/dbraw/zinc/09/00/38/1027090038.db2.gz KZXAMCRQMAHAIX-UHFFFAOYSA-N -1 1 346.191 3.523 20 0 EHADMM CCCC[N@H+](CC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000148305167 1027395995 /nfs/dbraw/zinc/39/59/95/1027395995.db2.gz DCZJYQMYXCOZNL-UHFFFAOYSA-N -1 1 327.424 3.951 20 0 EHADMM CCCC[N@@H+](CC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000148305167 1027396006 /nfs/dbraw/zinc/39/60/06/1027396006.db2.gz DCZJYQMYXCOZNL-UHFFFAOYSA-N -1 1 327.424 3.951 20 0 EHADMM CC(C)(C)c1nc(=N[C@H](CN)c2ccc3ccccc3c2)s[n-]1 ZINC000420244725 1027416284 /nfs/dbraw/zinc/41/62/84/1027416284.db2.gz LAWQVDUJUGVHJU-OAHLLOKOSA-N -1 1 326.469 3.523 20 0 EHADMM CN(C(=O)c1ccc([O-])cc1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273564565 1027494723 /nfs/dbraw/zinc/49/47/23/1027494723.db2.gz JCHLLZQPEISQEM-KDOFPFPSSA-N -1 1 347.361 3.663 20 0 EHADMM CN(C(=O)c1ccc([O-])cc1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273564567 1027495144 /nfs/dbraw/zinc/49/51/44/1027495144.db2.gz JCHLLZQPEISQEM-RDTXWAMCSA-N -1 1 347.361 3.663 20 0 EHADMM Cc1cc(C2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)[nH]n1 ZINC000273606562 1027516078 /nfs/dbraw/zinc/51/60/78/1027516078.db2.gz KQDJYMLJCGVKLB-UHFFFAOYSA-N -1 1 335.407 3.597 20 0 EHADMM CC[C@@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-] ZINC000414683011 1027858464 /nfs/dbraw/zinc/85/84/64/1027858464.db2.gz OQBSJLLZADCCPV-CYBMUJFWSA-N -1 1 327.302 3.918 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1c1ccncc1 ZINC000132985498 1027985770 /nfs/dbraw/zinc/98/57/70/1027985770.db2.gz MWWRYCVAUWHPNU-AWEZNQCLSA-N -1 1 347.212 3.527 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1C ZINC000614843597 1028168657 /nfs/dbraw/zinc/16/86/57/1028168657.db2.gz BELYFVYAPDCZJH-UHFFFAOYSA-N -1 1 349.452 3.839 20 0 EHADMM CCOc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1OC ZINC000055631856 1028281343 /nfs/dbraw/zinc/28/13/43/1028281343.db2.gz FLSVDZRXYPRFSZ-UHFFFAOYSA-N -1 1 341.816 3.548 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(O)cc(OC)c2)cc1 ZINC000504031645 1028353005 /nfs/dbraw/zinc/35/30/05/1028353005.db2.gz FRTWRAZZNBPUBC-UHFFFAOYSA-N -1 1 349.452 3.889 20 0 EHADMM Cc1cccc(C2(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)CC2)c1 ZINC000343017547 1028657603 /nfs/dbraw/zinc/65/76/03/1028657603.db2.gz STCRWSVHWUONMB-UHFFFAOYSA-N -1 1 333.391 3.761 20 0 EHADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000300565579 1028709090 /nfs/dbraw/zinc/70/90/90/1028709090.db2.gz GJYQSDQPCRQHRE-PWSUYJOCSA-N -1 1 326.234 3.853 20 0 EHADMM CN(C)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c(F)c1 ZINC000445450341 1028782481 /nfs/dbraw/zinc/78/24/81/1028782481.db2.gz YBMUJRPVAMOUCJ-UHFFFAOYSA-N -1 1 333.750 3.968 20 0 EHADMM [O-]c1ccc(-c2noc(-c3cc(-c4ccccn4)no3)n2)c(Cl)c1 ZINC000445445945 1028804472 /nfs/dbraw/zinc/80/44/72/1028804472.db2.gz KKOFFPGEGQRHJI-UHFFFAOYSA-N -1 1 340.726 3.813 20 0 EHADMM COc1ccccc1OCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447821 1028806908 /nfs/dbraw/zinc/80/69/08/1028806908.db2.gz TWABZLOCRCIZOP-UHFFFAOYSA-N -1 1 346.770 3.726 20 0 EHADMM COc1cc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000153914013 1028917438 /nfs/dbraw/zinc/91/74/38/1028917438.db2.gz BRTRFZVECPRVBR-BZNIZROVSA-N -1 1 331.799 3.887 20 0 EHADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000016129658 1028979955 /nfs/dbraw/zinc/97/99/55/1028979955.db2.gz XRVOSDFHLCMBMR-UHFFFAOYSA-N -1 1 337.269 3.784 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)cc1C ZINC000074838567 1029225704 /nfs/dbraw/zinc/22/57/04/1029225704.db2.gz LDGBJIMRAYIBLQ-UHFFFAOYSA-N -1 1 346.408 3.562 20 0 EHADMM C[C@@H](C1CC1)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000514702968 1029415988 /nfs/dbraw/zinc/41/59/88/1029415988.db2.gz LAJVTCUZAPPLET-VIFPVBQESA-N -1 1 349.228 3.573 20 0 EHADMM [O-]c1cccc(CN2CCN(c3cccc(F)c3F)CC2)c1Cl ZINC000508581132 1029874212 /nfs/dbraw/zinc/87/42/12/1029874212.db2.gz UJUPYRYSMIIZFF-UHFFFAOYSA-N -1 1 338.785 3.646 20 0 EHADMM O=C(Nc1ccc(COC2CCCC2)cc1)c1ccc(O)cc1[O-] ZINC000157681362 1029991093 /nfs/dbraw/zinc/99/10/93/1029991093.db2.gz VHFRNDVZSZMUOU-UHFFFAOYSA-N -1 1 327.380 3.809 20 0 EHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c1 ZINC000120314671 1029996642 /nfs/dbraw/zinc/99/66/42/1029996642.db2.gz OXQSROMXCJXLRJ-UHFFFAOYSA-N -1 1 338.860 3.824 20 0 EHADMM Cc1ccccc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000481987533 1030148074 /nfs/dbraw/zinc/14/80/74/1030148074.db2.gz YDEXFMQDZCFDJN-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CC1)c1cccc(F)c1F ZINC000482039109 1030184075 /nfs/dbraw/zinc/18/40/75/1030184075.db2.gz ISWHHZRCLSJMOW-UHFFFAOYSA-N -1 1 343.782 3.586 20 0 EHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000668017401 1030360355 /nfs/dbraw/zinc/36/03/55/1030360355.db2.gz XPTGRRJBUZTGKG-CQSZACIVSA-N -1 1 335.325 3.657 20 0 EHADMM COc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)c([O-])c1 ZINC000121956842 1030443015 /nfs/dbraw/zinc/44/30/15/1030443015.db2.gz XNBUBBLRUQRWHK-UHFFFAOYSA-N -1 1 327.258 3.552 20 0 EHADMM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129566456 1030494253 /nfs/dbraw/zinc/49/42/53/1030494253.db2.gz AJUJJZSCDCNSKF-UHFFFAOYSA-N -1 1 328.199 3.808 20 0 EHADMM CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000029965935 1030514665 /nfs/dbraw/zinc/51/46/65/1030514665.db2.gz WNRHOESFFBMHLR-UHFFFAOYSA-N -1 1 346.814 3.570 20 0 EHADMM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc([O-])cc1F ZINC000447859442 1030552434 /nfs/dbraw/zinc/55/24/34/1030552434.db2.gz VWYNBHWTRRLLBN-UHFFFAOYSA-N -1 1 329.331 3.821 20 0 EHADMM O=C(Cc1cccc(C(F)F)c1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000448028421 1030681749 /nfs/dbraw/zinc/68/17/49/1030681749.db2.gz CGXDJQSGDCBVGR-UHFFFAOYSA-N -1 1 333.363 3.679 20 0 EHADMM COc1cc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)cc(Cl)c1[O-] ZINC000527487272 1030908831 /nfs/dbraw/zinc/90/88/31/1030908831.db2.gz GKRDTJDICCPMGD-JTQLQIEISA-N -1 1 349.789 3.953 20 0 EHADMM COc1cc(-c2nc(C3Cc4ccccc4C3)no2)cc(Cl)c1[O-] ZINC000527488284 1030943397 /nfs/dbraw/zinc/94/33/97/1030943397.db2.gz FFXQPGCWODKVEP-UHFFFAOYSA-N -1 1 342.782 3.987 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3cccc(OC(F)F)c3)n2)cc1F ZINC000445477074 1031171338 /nfs/dbraw/zinc/17/13/38/1031171338.db2.gz APIKYRCMWXRNJQ-UHFFFAOYSA-N -1 1 336.269 3.774 20 0 EHADMM O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000151233247 1031226914 /nfs/dbraw/zinc/22/69/14/1031226914.db2.gz ZFPXYOFCZKSWON-OAHLLOKOSA-N -1 1 349.386 3.965 20 0 EHADMM Cc1nc([C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)no1 ZINC000278543167 1031308817 /nfs/dbraw/zinc/30/88/17/1031308817.db2.gz KGBJTERNFHWQEV-SNVBAGLBSA-N -1 1 328.397 3.702 20 0 EHADMM 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EHADMM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1occc1C ZINC000128328284 1040631323 /nfs/dbraw/zinc/63/13/23/1040631323.db2.gz XIHLAQLWSGVEHC-LLVKDONJSA-N -1 1 346.770 3.520 20 0 EHADMM CO[C@@H]1CCOc2c(NC(=O)c3cc(SC)ccc3[O-])cccc21 ZINC000614217434 1040689521 /nfs/dbraw/zinc/68/95/21/1040689521.db2.gz QFZSZWPYNOGIMZ-MRXNPFEDSA-N -1 1 345.420 3.836 20 0 EHADMM O=S(=O)([N-][C@H]1CCc2c1cccc2Cl)c1cccc(F)c1F ZINC000509786666 1040827675 /nfs/dbraw/zinc/82/76/75/1040827675.db2.gz GDLCCZAXSKFHGM-ZDUSSCGKSA-N -1 1 343.782 3.584 20 0 EHADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000512829531 1041050867 /nfs/dbraw/zinc/05/08/67/1041050867.db2.gz VJEDYIFWGVOGIU-LLVKDONJSA-N -1 1 341.379 3.943 20 0 EHADMM O=C(CO[C@H]1CCCc2ccccc21)Nc1cc([O-])c(F)cc1F ZINC000909986420 1041097715 /nfs/dbraw/zinc/09/77/15/1041097715.db2.gz KHWBEKSTDRPOPH-KRWDZBQOSA-N -1 1 333.334 3.703 20 0 EHADMM CCc1c(C(=O)Nc2cc([O-])c(F)cc2F)cnn1C1CCCC1 ZINC000909986460 1041098724 /nfs/dbraw/zinc/09/87/24/1041098724.db2.gz LQUZPBCFHFKCTP-UHFFFAOYSA-N -1 1 335.354 3.797 20 0 EHADMM CCc1cc2c(C[N@H+](C)Cc3ccoc3C)cc(=O)oc2cc1O ZINC000055052682 1041108770 /nfs/dbraw/zinc/10/87/70/1041108770.db2.gz PRNYVEASOYACIM-UHFFFAOYSA-N -1 1 327.380 3.594 20 0 EHADMM CCc1cc2c(CNc3ccc(COC)cc3)cc(=O)oc2cc1[O-] ZINC000194659561 1041310439 /nfs/dbraw/zinc/31/04/39/1041310439.db2.gz SLQUFRHIYRIUJW-UHFFFAOYSA-N -1 1 339.391 3.820 20 0 EHADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1cc(F)ccc1F ZINC000195083982 1041379215 /nfs/dbraw/zinc/37/92/15/1041379215.db2.gz GSHDLVNBXIOQFK-QMMMGPOBSA-N -1 1 336.363 3.701 20 0 EHADMM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccncc1[O-] ZINC000109889895 1041504808 /nfs/dbraw/zinc/50/48/08/1041504808.db2.gz GDYRPUSFACPPCR-UHFFFAOYSA-N -1 1 343.383 3.534 20 0 EHADMM Cc1ocnc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccco1 ZINC000110169625 1041517280 /nfs/dbraw/zinc/51/72/80/1041517280.db2.gz FZLLCLJZMGQUHY-UHFFFAOYSA-N -1 1 336.303 3.806 20 0 EHADMM CC(C)C1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000549522983 1041794985 /nfs/dbraw/zinc/79/49/85/1041794985.db2.gz OMOPABNKGMLYLV-UHFFFAOYSA-N -1 1 326.220 3.599 20 0 EHADMM CC(C)C[C@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000652437636 1042476792 /nfs/dbraw/zinc/47/67/92/1042476792.db2.gz ZMRUWKZAQDJIOV-HUUCEWRRSA-N -1 1 345.361 3.578 20 0 EHADMM Cc1ccccc1Nc1nc(CN(CCC(=O)[O-])C(C)C)cs1 ZINC000652478668 1042497809 /nfs/dbraw/zinc/49/78/09/1042497809.db2.gz QGEZDWBQJBSNRT-UHFFFAOYSA-N -1 1 333.457 3.880 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc(-c2ccccn2)s1 ZINC000111667873 1042994031 /nfs/dbraw/zinc/99/40/31/1042994031.db2.gz NYTFGXATYPSNBY-UHFFFAOYSA-N -1 1 331.784 3.816 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000163397217 1043941207 /nfs/dbraw/zinc/94/12/07/1043941207.db2.gz JHVPKEZDXZKBHV-SFHVURJKSA-N -1 1 339.416 3.821 20 0 EHADMM COc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000344617501 1044205884 /nfs/dbraw/zinc/20/58/84/1044205884.db2.gz UMGABLWBTBZJST-HNNXBMFYSA-N -1 1 345.826 3.902 20 0 EHADMM O=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000344812368 1044465763 /nfs/dbraw/zinc/46/57/63/1044465763.db2.gz ODKQNOSDIJNSKU-UHFFFAOYSA-N -1 1 346.390 3.835 20 0 EHADMM CO[C@@H](C)c1nc(=NCCCO[C@H]2CCCc3ccccc32)s[n-]1 ZINC000337886430 1044522478 /nfs/dbraw/zinc/52/24/78/1044522478.db2.gz YGEJYWIDQXHXSK-BBRMVZONSA-N -1 1 347.484 3.564 20 0 EHADMM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000344890517 1044655851 /nfs/dbraw/zinc/65/58/51/1044655851.db2.gz AEYJLGXTUSSWST-DTWKUNHWSA-N -1 1 345.745 3.528 20 0 EHADMM CC(C)c1ccc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)c(C(C)C)c1 ZINC000620234513 1125524861 /nfs/dbraw/zinc/52/48/61/1125524861.db2.gz QLBJAXVOXKLGGW-UHFFFAOYSA-N -1 1 347.484 3.903 20 0 EHADMM COc1cc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc(Cl)c1[O-] ZINC000153857464 1125668391 /nfs/dbraw/zinc/66/83/91/1125668391.db2.gz ZFKIFVPPHHSGTB-INIZCTEOSA-N -1 1 345.826 3.805 20 0 EHADMM CC[C@](C)(NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1nccs1 ZINC000153868599 1125669888 /nfs/dbraw/zinc/66/98/88/1125669888.db2.gz VYFVVPDHUWSPRJ-HNNXBMFYSA-N -1 1 340.832 3.566 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000620719464 1125681271 /nfs/dbraw/zinc/68/12/71/1125681271.db2.gz DOLKHOMQKAOTNI-UHFFFAOYSA-N -1 1 339.366 3.612 20 0 EHADMM Cc1cccc(C)c1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000172517748 1126798068 /nfs/dbraw/zinc/79/80/68/1126798068.db2.gz FQZFCHHCPXCFBX-UHFFFAOYSA-N -1 1 330.453 3.973 20 0 EHADMM COc1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000180003307 1127108718 /nfs/dbraw/zinc/10/87/18/1127108718.db2.gz AYSPTXUOOBMZES-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM Cc1cc(C)c2[nH]cc(C(=O)[N-]OCc3ccc(F)cc3)c(=O)c2c1 ZINC000186044829 1127243494 /nfs/dbraw/zinc/24/34/94/1127243494.db2.gz MRQCYHFJMNPCIV-UHFFFAOYSA-N -1 1 340.354 3.558 20 0 EHADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cccc(Cl)c1F ZINC000764133788 1127447980 /nfs/dbraw/zinc/44/79/80/1127447980.db2.gz GZOHWITXSWNOJL-UHFFFAOYSA-N -1 1 348.713 3.648 20 0 EHADMM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000195084175 1127473008 /nfs/dbraw/zinc/47/30/08/1127473008.db2.gz ABEHNDFVAFCLOE-SNVBAGLBSA-N -1 1 347.415 3.626 20 0 EHADMM CC(C)[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000171966058 1127640337 /nfs/dbraw/zinc/64/03/37/1127640337.db2.gz VFOYIEPMLQCAGD-CQSZACIVSA-N -1 1 346.452 3.718 20 0 EHADMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@H](C)CCCC(C)C)n1 ZINC000018226723 1127674403 /nfs/dbraw/zinc/67/44/03/1127674403.db2.gz BYMLZVPYCANGOS-CYBMUJFWSA-N -1 1 339.505 3.558 20 0 EHADMM CCCc1nnc([N-]C(=O)c2occc2COc2ccccc2)s1 ZINC000022746653 1127691620 /nfs/dbraw/zinc/69/16/20/1127691620.db2.gz YNYPLGOXTRIAHG-UHFFFAOYSA-N -1 1 343.408 3.915 20 0 EHADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc2ccsc21 ZINC000386653608 1127710102 /nfs/dbraw/zinc/71/01/02/1127710102.db2.gz QXHQDEDSSJQNLB-UHFFFAOYSA-N -1 1 347.417 3.709 20 0 EHADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000026875471 1127775017 /nfs/dbraw/zinc/77/50/17/1127775017.db2.gz NJLIVMRSECEUFY-SFYZADRCSA-N -1 1 328.286 3.912 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1F ZINC000032585708 1127853545 /nfs/dbraw/zinc/85/35/45/1127853545.db2.gz ZHSGMTURFULFCR-UHFFFAOYSA-N -1 1 337.416 3.933 20 0 EHADMM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cnncc3[O-])c2)C1 ZINC001626055247 1127907711 /nfs/dbraw/zinc/90/77/11/1127907711.db2.gz BNQBMESHZIUXJV-CJNGLKHVSA-N -1 1 341.411 3.530 20 0 EHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000172487967 1128041768 /nfs/dbraw/zinc/04/17/68/1128041768.db2.gz SJLKHPHKHVSRJN-UHFFFAOYSA-N -1 1 333.453 3.759 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(Cl)c1 ZINC000060436786 1128101463 /nfs/dbraw/zinc/10/14/63/1128101463.db2.gz CLEDRQZPBJTLRF-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000065834439 1128203744 /nfs/dbraw/zinc/20/37/44/1128203744.db2.gz MBULSBWCBYEJBN-UHFFFAOYSA-N -1 1 346.452 3.824 20 0 EHADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)C=Cc2ccco2)CC1 ZINC000068446755 1128267498 /nfs/dbraw/zinc/26/74/98/1128267498.db2.gz PSAGUAKWQOUWSL-AATRIKPKSA-N -1 1 346.456 3.534 20 0 EHADMM C[C@H]1CCN(C(=O)c2nnc3ccccc3c2O)CC12CCCCC2 ZINC000765787118 1128366846 /nfs/dbraw/zinc/36/68/46/1128366846.db2.gz VXEUFQFTPPWYHY-AWEZNQCLSA-N -1 1 339.439 3.768 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1F ZINC000055618991 1128525453 /nfs/dbraw/zinc/52/54/53/1128525453.db2.gz WIYWEYGHHKSYCN-UHFFFAOYSA-N -1 1 329.780 3.597 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cc(C(F)(F)F)ccc3C)no2)n[n-]1 ZINC001212430079 1128591772 /nfs/dbraw/zinc/59/17/72/1128591772.db2.gz YYFOGOHHCKWHJX-UHFFFAOYSA-N -1 1 336.273 3.657 20 0 EHADMM CC(=O)c1cc(-c2nc(-c3cc(C(F)(F)F)ccc3C)no2)[n-]n1 ZINC001212430079 1128591774 /nfs/dbraw/zinc/59/17/74/1128591774.db2.gz YYFOGOHHCKWHJX-UHFFFAOYSA-N -1 1 336.273 3.657 20 0 EHADMM C[C@H](N[C@H](CCc1ccccc1)C(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099577 1128741642 /nfs/dbraw/zinc/74/16/42/1128741642.db2.gz XYUGPBCLHLHAFV-ARLBYUKCSA-N -1 1 339.426 3.978 20 0 EHADMM O=C(Nc1cc(F)c(F)c(F)c1)c1cc(Br)ccc1[O-] ZINC000226220732 1120188427 /nfs/dbraw/zinc/18/84/27/1120188427.db2.gz XBZAPKVXNNBUJT-UHFFFAOYSA-N -1 1 346.102 3.824 20 0 EHADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000494616970 1120690424 /nfs/dbraw/zinc/69/04/24/1120690424.db2.gz NSGCEQJWMKEJKG-UHFFFAOYSA-N -1 1 349.305 3.568 20 0 EHADMM O=C(NCCCC1CCCC1)c1ccc(Br)c([O-])c1 ZINC000231219862 1121023808 /nfs/dbraw/zinc/02/38/08/1121023808.db2.gz PUSCILMGHXADPK-UHFFFAOYSA-N -1 1 326.234 3.855 20 0 EHADMM CC[C@H](C)CN(CC)C(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000176612456 1121349122 /nfs/dbraw/zinc/34/91/22/1121349122.db2.gz UBYFLDQSRXLQSO-ZDUSSCGKSA-N -1 1 346.500 3.811 20 0 EHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1 ZINC000074983913 1121714083 /nfs/dbraw/zinc/71/40/83/1121714083.db2.gz QEGLOOMSHNWXDS-UHFFFAOYSA-N -1 1 347.436 3.786 20 0 EHADMM O=c1c2cccc3cccc(c23)c1=N[N-]c1nccc2sccc21 ZINC000915979894 1122005658 /nfs/dbraw/zinc/00/56/58/1122005658.db2.gz NJGDGOCIJPIQLL-UHFFFAOYSA-N -1 1 329.384 3.766 20 0 EHADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1NC(=O)c1ccncc1 ZINC000067068172 1122498341 /nfs/dbraw/zinc/49/83/41/1122498341.db2.gz ZJBQWVROIPSVLU-UHFFFAOYSA-N -1 1 347.374 3.600 20 0 EHADMM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000917746745 1122676310 /nfs/dbraw/zinc/67/63/10/1122676310.db2.gz LBMYYFIANDTTTR-ZHACJKMWSA-N -1 1 345.420 3.503 20 0 EHADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1 ZINC000917753120 1122677252 /nfs/dbraw/zinc/67/72/52/1122677252.db2.gz DNXLYBCYYOFOFQ-BENRWUELSA-N -1 1 332.425 3.590 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2ccc(OC(F)(F)F)cc2F)no1 ZINC001212480929 1129086928 /nfs/dbraw/zinc/08/69/28/1129086928.db2.gz QFHUAUZTJNPQNZ-UHFFFAOYSA-N -1 1 341.220 3.542 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1F)c1c(Cl)cccc1Cl ZINC000131520223 1123129590 /nfs/dbraw/zinc/12/95/90/1123129590.db2.gz XYANAWAGRHKTRN-UHFFFAOYSA-N -1 1 336.171 3.639 20 0 EHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000073769026 1123220713 /nfs/dbraw/zinc/22/07/13/1123220713.db2.gz MLEFGSMYJBBRGM-UHFFFAOYSA-N -1 1 334.416 3.535 20 0 EHADMM Cc1nc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cs1 ZINC000132807884 1123303129 /nfs/dbraw/zinc/30/31/29/1123303129.db2.gz BIZIGZLEAYFHOO-UHFFFAOYSA-N -1 1 329.450 3.803 20 0 EHADMM COc1ccc(Br)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000132854005 1123309289 /nfs/dbraw/zinc/30/92/89/1123309289.db2.gz PEITYWFIKXFCNE-UHFFFAOYSA-N -1 1 340.148 3.555 20 0 EHADMM O=C(Nc1ccc(N2CCOC2=O)cc1)c1cc2ccccc2cc1[O-] ZINC000132931606 1123319572 /nfs/dbraw/zinc/31/95/72/1123319572.db2.gz PDGYRNLGEHCONZ-UHFFFAOYSA-N -1 1 348.358 3.754 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000133261187 1123372057 /nfs/dbraw/zinc/37/20/57/1123372057.db2.gz JHFZXZLDJIABFT-UHFFFAOYSA-N -1 1 346.452 3.788 20 0 EHADMM O=C(NCCSCc1ccccc1F)c1c([O-])cccc1Cl ZINC000920431052 1123372661 /nfs/dbraw/zinc/37/26/61/1123372661.db2.gz NQNBBFRCSDPTHD-UHFFFAOYSA-N -1 1 339.819 3.848 20 0 EHADMM Cc1cc([C@@H]2CN(C(=O)c3cc(Cl)ccc3[O-])CCO2)ccc1F ZINC000135268574 1123596334 /nfs/dbraw/zinc/59/63/34/1123596334.db2.gz AKGKMTVTRSWFFH-KRWDZBQOSA-N -1 1 349.789 3.707 20 0 EHADMM CN(Cc1ccccc1F)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000170841535 1123656950 /nfs/dbraw/zinc/65/69/50/1123656950.db2.gz OPZVURUNKSCOPD-UHFFFAOYSA-N -1 1 348.472 3.822 20 0 EHADMM CC(C)c1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)on1 ZINC000114499280 1129152317 /nfs/dbraw/zinc/15/23/17/1129152317.db2.gz UOTSXBYEJWBHJY-UHFFFAOYSA-N -1 1 349.239 3.583 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1F ZINC000180016349 1123924193 /nfs/dbraw/zinc/92/41/93/1123924193.db2.gz YJXDERICQBNSOQ-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM C[C@@H]1CSc2ccccc2N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000616827402 1124042453 /nfs/dbraw/zinc/04/24/53/1124042453.db2.gz DRVGAUQZDDACTO-NSHDSACASA-N -1 1 345.493 3.528 20 0 EHADMM CC(C)CCc1nnc([N-]C(=O)c2occc2Br)s1 ZINC000617096031 1124083392 /nfs/dbraw/zinc/08/33/92/1124083392.db2.gz DCPKTORRGYJPCG-UHFFFAOYSA-N -1 1 344.234 3.735 20 0 EHADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)cc1F ZINC000618388206 1125064051 /nfs/dbraw/zinc/06/40/51/1125064051.db2.gz CFYWXBSHHGCRII-HNNXBMFYSA-N -1 1 333.334 3.656 20 0 EHADMM COc1cccc([C@@]2(C)CCN(C(=O)c3ccc(Cl)cc3[O-])C2)c1 ZINC000618740788 1125178987 /nfs/dbraw/zinc/17/89/87/1125178987.db2.gz KBRIRXCOWBUAQO-IBGZPJMESA-N -1 1 345.826 3.858 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000619180638 1125305739 /nfs/dbraw/zinc/30/57/39/1125305739.db2.gz KDEHRCCTJZNJRX-LPHOPBHVSA-N -1 1 339.435 3.967 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccnc(Cl)c2)c1 ZINC000182927187 1125397475 /nfs/dbraw/zinc/39/74/75/1125397475.db2.gz YQIZEILBVBEYRK-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000673150867 1129212901 /nfs/dbraw/zinc/21/29/01/1129212901.db2.gz FOZFBQQTQXSQKO-PIGZYNQJSA-N -1 1 349.789 3.787 20 0 EHADMM Cc1nc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)co1 ZINC000682563613 1129226224 /nfs/dbraw/zinc/22/62/24/1129226224.db2.gz OWDWOYWMXFNTCO-UHFFFAOYSA-N -1 1 326.337 3.500 20 0 EHADMM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000068077234 1129339926 /nfs/dbraw/zinc/33/99/26/1129339926.db2.gz CAGPSTAQPNIFSC-UHFFFAOYSA-N -1 1 346.452 3.878 20 0 EHADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000735704400 1131373359 /nfs/dbraw/zinc/37/33/59/1131373359.db2.gz ZVZUXSRSVCWTTP-XHDPSFHLSA-N -1 1 325.836 3.617 20 0 EHADMM CCC1=NO[C@H](c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](CC)CC4)C1 ZINC000172996023 1129532510 /nfs/dbraw/zinc/53/25/10/1129532510.db2.gz GMGZNZSEWRDMJB-CABZTGNLSA-N -1 1 331.441 3.727 20 0 EHADMM O=C([N-]c1csc(-c2ccncc2)n1)c1cc(-c2ccccn2)no1 ZINC000338868660 1129609590 /nfs/dbraw/zinc/60/95/90/1129609590.db2.gz IWQVQGYZOBFFDI-UHFFFAOYSA-N -1 1 349.375 3.507 20 0 EHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1F ZINC000509104401 1129751366 /nfs/dbraw/zinc/75/13/66/1129751366.db2.gz VIUBCYQZANZRQZ-UHFFFAOYSA-N -1 1 341.429 3.747 20 0 EHADMM CCOc1cc(C(=O)NNc2cc(C)ccc2C)cc(Cl)c1[O-] ZINC000186902728 1129901678 /nfs/dbraw/zinc/90/16/78/1129901678.db2.gz ALAMVBSVTVCGAY-UHFFFAOYSA-N -1 1 334.803 3.818 20 0 EHADMM O=S(=O)([N-]C/C=C/C1CC1)c1c(Cl)cccc1C(F)(F)F ZINC001117745329 1129921597 /nfs/dbraw/zinc/92/15/97/1129921597.db2.gz FBUQACUKTYLKCF-NSCUHMNNSA-N -1 1 339.766 3.603 20 0 EHADMM CCc1cccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1CC ZINC000486096962 1130441549 /nfs/dbraw/zinc/44/15/49/1130441549.db2.gz OYXBWJOEPKWYAO-UHFFFAOYSA-N -1 1 349.452 3.629 20 0 EHADMM CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358932 1130702826 /nfs/dbraw/zinc/70/28/26/1130702826.db2.gz DWXBRKGSNRPHCH-QMMMGPOBSA-N -1 1 348.226 3.549 20 0 EHADMM Cc1ccc(Cc2nnc([N-]C(=O)c3ncoc3C(C)C)s2)cc1 ZINC000731992917 1130876835 /nfs/dbraw/zinc/87/68/35/1130876835.db2.gz VABSXSNRNUXECF-UHFFFAOYSA-N -1 1 342.424 3.801 20 0 EHADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C ZINC000742026293 1131684934 /nfs/dbraw/zinc/68/49/34/1131684934.db2.gz AKCMYHCMYXTJTO-UHFFFAOYSA-N -1 1 346.452 3.878 20 0 EHADMM FC(F)(F)c1cnc(-c2nc(-c3cncc4ccccc43)no2)[n-]1 ZINC001212689551 1131899264 /nfs/dbraw/zinc/89/92/64/1131899264.db2.gz IZVSNBOKHCDURZ-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3cncc4ccccc43)no2)n1 ZINC001212689551 1131899269 /nfs/dbraw/zinc/89/92/69/1131899269.db2.gz IZVSNBOKHCDURZ-UHFFFAOYSA-N -1 1 331.257 3.694 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000744588152 1132123047 /nfs/dbraw/zinc/12/30/47/1132123047.db2.gz XHMWIBSQVQWETE-UHFFFAOYSA-N -1 1 349.386 3.785 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c[nH]c3cc(C)ccc23)c1 ZINC000744852669 1132157557 /nfs/dbraw/zinc/15/75/57/1132157557.db2.gz YDNUGINXWVEZBB-UHFFFAOYSA-N -1 1 337.375 3.784 20 0 EHADMM CC(=O)Nc1cccc(Nc2ccc(F)c(Br)c2[O-])c1 ZINC001173833537 1132162543 /nfs/dbraw/zinc/16/25/43/1132162543.db2.gz FBAHNYPOHWWHPH-UHFFFAOYSA-N -1 1 339.164 3.996 20 0 EHADMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)c1ccc(Cl)cc1 ZINC000745523166 1132260517 /nfs/dbraw/zinc/26/05/17/1132260517.db2.gz UCYLNKATTWFOJE-MRVPVSSYSA-N -1 1 340.709 3.752 20 0 EHADMM COc1ccc(Cn2cc(Nc3c([O-])cc(F)cc3F)cn2)cc1 ZINC001174437961 1132356347 /nfs/dbraw/zinc/35/63/47/1132356347.db2.gz URSPTFSMVHTOGO-UHFFFAOYSA-N -1 1 331.322 3.667 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C)c(OC)c(C)c2)c1 ZINC001174998709 1132525365 /nfs/dbraw/zinc/52/53/65/1132525365.db2.gz ZNULSGXSGYAPKA-UHFFFAOYSA-N -1 1 335.425 3.555 20 0 EHADMM CN1CCN(c2cccc(Nc3ccc(C(=O)[O-])c(Cl)c3)c2)CC1 ZINC001175318884 1132636745 /nfs/dbraw/zinc/63/67/45/1132636745.db2.gz JQFYGENNGGXUMP-UHFFFAOYSA-N -1 1 345.830 3.534 20 0 EHADMM CCCCC(=O)[C@H](C)Nc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001169553550 1132784375 /nfs/dbraw/zinc/78/43/75/1132784375.db2.gz UCDZKBOZGKPCPM-RYUDHWBXSA-N -1 1 344.377 3.986 20 0 EHADMM Nc1cc(Br)cc2cnn(-c3ccc(Cl)c([O-])c3)c21 ZINC001212593360 1132808820 /nfs/dbraw/zinc/80/88/20/1132808820.db2.gz MZWNLTYRJBNJJP-UHFFFAOYSA-N -1 1 338.592 3.729 20 0 EHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(F)c3ccccc23)c1 ZINC001175953859 1132811788 /nfs/dbraw/zinc/81/17/88/1132811788.db2.gz GUMNKWTWAZNZSG-UHFFFAOYSA-N -1 1 331.368 3.832 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1N ZINC001176099534 1132846945 /nfs/dbraw/zinc/84/69/45/1132846945.db2.gz FPZFNKWZXIXPMS-UHFFFAOYSA-N -1 1 346.452 3.699 20 0 EHADMM C[NH+]1CCN(c2c(F)cccc2Nc2ccc(Cl)c(O)c2)CC1 ZINC001212595506 1132871721 /nfs/dbraw/zinc/87/17/21/1132871721.db2.gz XDWOPEIBPKWKRS-UHFFFAOYSA-N -1 1 335.810 3.680 20 0 EHADMM COC[C@H](C)N(C(=O)c1ccc(F)c([O-])c1)[C@H]1CCc2ccccc21 ZINC001169954359 1132908377 /nfs/dbraw/zinc/90/83/77/1132908377.db2.gz NEIUYRMTRBSVCB-UGSOOPFHSA-N -1 1 343.398 3.696 20 0 EHADMM Cc1cc(Nc2cc(S(C)(=O)=O)ccc2[O-])c(F)cc1Cl ZINC001176525120 1132957143 /nfs/dbraw/zinc/95/71/43/1132957143.db2.gz FHABOHLIXLSFGW-UHFFFAOYSA-N -1 1 329.780 3.640 20 0 EHADMM COc1ccc2cc(CNC(=O)c3ccc([O-])c(F)c3)ccc2c1 ZINC000767292270 1132978718 /nfs/dbraw/zinc/97/87/18/1132978718.db2.gz VWKQRYZJKBTSQI-UHFFFAOYSA-N -1 1 325.339 3.623 20 0 EHADMM Cc1c(Br)c[nH]c(=O)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663900 1132979053 /nfs/dbraw/zinc/97/90/53/1132979053.db2.gz OWOXOMHALHCDPV-UHFFFAOYSA-N -1 1 349.106 3.725 20 0 EHADMM Cc1ccc(C(=O)NC2CC2)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672917 1132979739 /nfs/dbraw/zinc/97/97/39/1132979739.db2.gz AYSZQCFBUVWDTD-UHFFFAOYSA-N -1 1 336.313 3.754 20 0 EHADMM C[C@@H]1Cc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2N(C)C1=O ZINC001176671719 1132979854 /nfs/dbraw/zinc/97/98/54/1132979854.db2.gz CHCDEDILZHGFIQ-MRVPVSSYSA-N -1 1 336.313 3.708 20 0 EHADMM O=C(CCCC(=O)c1ccccc1)NCc1ccc([O-])c(Cl)c1 ZINC001176994271 1133019624 /nfs/dbraw/zinc/01/96/24/1133019624.db2.gz OYQZBBSXCCKGSR-UHFFFAOYSA-N -1 1 331.799 3.715 20 0 EHADMM O=C(NC1CC(OCc2ccccc2)C1)c1c([O-])cccc1Cl ZINC000768532680 1133151274 /nfs/dbraw/zinc/15/12/74/1133151274.db2.gz ODENFXVTYRNXES-UHFFFAOYSA-N -1 1 331.799 3.523 20 0 EHADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000769711788 1133333356 /nfs/dbraw/zinc/33/33/56/1133333356.db2.gz OYDRKXZIAPANDF-ZDUSSCGKSA-N -1 1 347.798 3.698 20 0 EHADMM Cc1cc(NCc2ccc([O-])c(F)c2F)cnc1Br ZINC001180317839 1133355879 /nfs/dbraw/zinc/35/58/79/1133355879.db2.gz PCRLGFGKOHRBSW-UHFFFAOYSA-N -1 1 329.144 3.748 20 0 EHADMM CC(C)C[C@H](NCc1ccc([O-])c(F)c1F)C(=O)OC(C)(C)C ZINC001180470710 1133379403 /nfs/dbraw/zinc/37/94/03/1133379403.db2.gz VJZZHUPTMHALSQ-LBPRGKRZSA-N -1 1 329.387 3.516 20 0 EHADMM CCC1(CC)C[C@@H]1C(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001181881541 1133546428 /nfs/dbraw/zinc/54/64/28/1133546428.db2.gz DDVWBUYXCZMPAS-SNVBAGLBSA-N -1 1 342.233 3.928 20 0 EHADMM CCCN(C(=O)c1ccccc1NC(=O)c1ccccc1[O-])C(C)C ZINC000771513323 1133568107 /nfs/dbraw/zinc/56/81/07/1133568107.db2.gz IUCNDANGZCOKPJ-UHFFFAOYSA-N -1 1 340.423 3.905 20 0 EHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)c(F)c2F)c1 ZINC001250112430 1133804425 /nfs/dbraw/zinc/80/44/25/1133804425.db2.gz HVGPAJCFVWJYPV-UHFFFAOYSA-N -1 1 347.770 3.861 20 0 EHADMM Cc1cccc2ccc([N-]S(=O)(=O)Cc3cc(F)cc(F)c3)nc12 ZINC001185083396 1134033751 /nfs/dbraw/zinc/03/37/51/1134033751.db2.gz AXHUUIUYSJEWFA-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM C[C@H]1C[C@H]1c1ncc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cn1 ZINC001185146769 1134036225 /nfs/dbraw/zinc/03/62/25/1134036225.db2.gz XEQPLLOOVHSXKM-WCBMZHEXSA-N -1 1 337.301 3.577 20 0 EHADMM O=C(Nc1cccc(C2OCCO2)c1)c1ccc2ccccc2c1[O-] ZINC000788211583 1134095045 /nfs/dbraw/zinc/09/50/45/1134095045.db2.gz HBFCGVNPDUFHJF-UHFFFAOYSA-N -1 1 335.359 3.843 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cccc3ncccc23)ccc1Cl ZINC001185485700 1134097222 /nfs/dbraw/zinc/09/72/22/1134097222.db2.gz YEDKRNXFTBKUNS-UHFFFAOYSA-N -1 1 332.812 3.997 20 0 EHADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c2ccccc2n1 ZINC001185485730 1134097302 /nfs/dbraw/zinc/09/73/02/1134097302.db2.gz ZQHJCAYFMXUAMK-UHFFFAOYSA-N -1 1 346.839 3.728 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)ccc1Cl ZINC001185532383 1134104636 /nfs/dbraw/zinc/10/46/36/1134104636.db2.gz MQXQLOQJJLDKJU-UHFFFAOYSA-N -1 1 349.795 3.556 20 0 EHADMM O=C(Nc1cc(F)cc(Br)c1)c1ccc([O-])c(F)c1 ZINC001186227179 1134183518 /nfs/dbraw/zinc/18/35/18/1134183518.db2.gz XUHDMAPXOSJEIZ-UHFFFAOYSA-N -1 1 328.112 3.685 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001186327974 1134195934 /nfs/dbraw/zinc/19/59/34/1134195934.db2.gz ZIBLBLOJYOIDJI-UHFFFAOYSA-N -1 1 339.288 3.749 20 0 EHADMM O=C(NCC1CCCCC1)Nc1cccc([O-])c1Br ZINC001186882848 1134267424 /nfs/dbraw/zinc/26/74/24/1134267424.db2.gz FTSFBAPFCFTOEA-UHFFFAOYSA-N -1 1 327.222 3.857 20 0 EHADMM COc1ccccc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187032346 1134292720 /nfs/dbraw/zinc/29/27/20/1134292720.db2.gz HVGYYWOBIKULJK-UHFFFAOYSA-N -1 1 346.235 3.944 20 0 EHADMM C/C=C(/CC)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000789853298 1134341658 /nfs/dbraw/zinc/34/16/58/1134341658.db2.gz IVTPJRPADTVVQX-DXNYSGJVSA-N -1 1 330.428 3.750 20 0 EHADMM O=C(Nc1cnc(C2CC2)s1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188571842 1134477842 /nfs/dbraw/zinc/47/78/42/1134477842.db2.gz GGDRVEAVRIMLBX-UHFFFAOYSA-N -1 1 328.315 3.997 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)Nc2ccc3ccccc3c2)c1 ZINC001188611063 1134482238 /nfs/dbraw/zinc/48/22/38/1134482238.db2.gz KAQBALWIFUHDQI-UHFFFAOYSA-N -1 1 336.347 3.976 20 0 EHADMM O=C(Nc1cccc(-c2nnco2)c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188585797 1134484762 /nfs/dbraw/zinc/48/47/62/1134484762.db2.gz JFKIPKZAWHKXNO-UHFFFAOYSA-N -1 1 349.268 3.713 20 0 EHADMM O=C(NC1(Cc2ccccc2)CCC(F)(F)CC1)c1ccncc1[O-] ZINC001188644739 1134486161 /nfs/dbraw/zinc/48/61/61/1134486161.db2.gz NADYRGKLKVPCLY-UHFFFAOYSA-N -1 1 346.377 3.708 20 0 EHADMM COc1ccc(NC(=O)Nc2cc([O-])c(Cl)cc2F)cc1OC ZINC001188800050 1134510076 /nfs/dbraw/zinc/51/00/76/1134510076.db2.gz CAOGJXLYJXXOIX-UHFFFAOYSA-N -1 1 340.738 3.846 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC(C)C)ccc2C)c1 ZINC001189235594 1134554950 /nfs/dbraw/zinc/55/49/50/1134554950.db2.gz PLBZHUXZDXLORW-UHFFFAOYSA-N -1 1 347.436 3.786 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(C)ccnc3c2)c1 ZINC001189234528 1134555341 /nfs/dbraw/zinc/55/53/41/1134555341.db2.gz ACXHDVQPJKYHLW-UHFFFAOYSA-N -1 1 340.404 3.547 20 0 EHADMM Cc1cccc2ccc([N-]S(=O)(=O)Cc3ccc(F)c(F)c3)nc12 ZINC001189273187 1134565700 /nfs/dbraw/zinc/56/57/00/1134565700.db2.gz VPKROSNTXHJDKI-UHFFFAOYSA-N -1 1 348.374 3.763 20 0 EHADMM CCC(=C([O-])c1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1 ZINC001189567656 1134602140 /nfs/dbraw/zinc/60/21/40/1134602140.db2.gz WHLPYTXDDGRQLX-INIZCTEOSA-N -1 1 336.840 3.916 20 0 EHADMM CCOc1ccc2c(c1)[C@@H](NC(=O)c1c([O-])cccc1Cl)CCO2 ZINC000775348437 1134658382 /nfs/dbraw/zinc/65/83/82/1134658382.db2.gz KDSKWZSMVCSUPK-AWEZNQCLSA-N -1 1 347.798 3.698 20 0 EHADMM CC(C)c1ccccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC001190238810 1134671762 /nfs/dbraw/zinc/67/17/62/1134671762.db2.gz GIWGCPCWGZHJLM-UHFFFAOYSA-N -1 1 335.201 3.925 20 0 EHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190391253 1134690450 /nfs/dbraw/zinc/69/04/50/1134690450.db2.gz UKSBASSVVRSSMO-UHFFFAOYSA-N -1 1 335.734 3.867 20 0 EHADMM CCC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1cccs1 ZINC001190404090 1134691599 /nfs/dbraw/zinc/69/15/99/1134691599.db2.gz OVPIMZPRIVIWDA-LLVKDONJSA-N -1 1 349.399 3.985 20 0 EHADMM O=S(=O)([N-]c1ncc(Cl)cc1F)c1ccc(C2CC2)cc1 ZINC001190468415 1134706233 /nfs/dbraw/zinc/70/62/33/1134706233.db2.gz VYDYOHADNAESCG-UHFFFAOYSA-N -1 1 326.780 3.552 20 0 EHADMM Cc1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1OCc1ccccc1 ZINC001170230005 1134724458 /nfs/dbraw/zinc/72/44/58/1134724458.db2.gz JPCDBYINLRUVHN-UHFFFAOYSA-N -1 1 347.378 3.690 20 0 EHADMM CC(C)c1cc(Br)cc(Nc2[n-]c(=O)nc3nc[nH]c32)c1 ZINC001170228119 1134724645 /nfs/dbraw/zinc/72/46/45/1134724645.db2.gz DFANJGXKDBKCRN-UHFFFAOYSA-N -1 1 348.204 3.688 20 0 EHADMM O=S(=O)([N-]CC1(C2CCC2)CCC1)c1cc(Cl)ccc1F ZINC001191065948 1134785865 /nfs/dbraw/zinc/78/58/65/1134785865.db2.gz WQFFSJHMGKBQHV-UHFFFAOYSA-N -1 1 331.840 3.728 20 0 EHADMM COc1cc(C(=O)Nc2cccc(C(F)(F)F)n2)cc(Cl)c1[O-] ZINC001191129912 1134795868 /nfs/dbraw/zinc/79/58/68/1134795868.db2.gz ZLGXFTOAQNLHSQ-UHFFFAOYSA-N -1 1 346.692 3.720 20 0 EHADMM COc1cc(C(=O)Nc2cccc(C(C)=O)c2C)cc(Cl)c1[O-] ZINC001191148013 1134801248 /nfs/dbraw/zinc/80/12/48/1134801248.db2.gz GJUWUUDAXBFZTM-UHFFFAOYSA-N -1 1 333.771 3.818 20 0 EHADMM COc1cc(C(=O)NCc2ccc(C)c(F)c2F)cc(Cl)c1[O-] ZINC001191155282 1134804523 /nfs/dbraw/zinc/80/45/23/1134804523.db2.gz DOVFJCGTKZGHBN-UHFFFAOYSA-N -1 1 341.741 3.571 20 0 EHADMM CCCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2C)cc1 ZINC001192350840 1135004664 /nfs/dbraw/zinc/00/46/64/1135004664.db2.gz FMPDSDVDVYMHHW-UHFFFAOYSA-N -1 1 340.832 3.633 20 0 EHADMM CSc1nc(NC(=O)Nc2ccc3sccc3c2)cc(=O)[n-]1 ZINC001192423570 1135012594 /nfs/dbraw/zinc/01/25/94/1135012594.db2.gz XMQDRBYJZZOYAN-UHFFFAOYSA-N -1 1 332.410 3.763 20 0 EHADMM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1c(F)ccc([O-])c1F ZINC001192523635 1135027049 /nfs/dbraw/zinc/02/70/49/1135027049.db2.gz FBCRKGRNZHNZBM-UHFFFAOYSA-N -1 1 334.253 3.717 20 0 EHADMM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1c(F)ccc([O-])c1F ZINC001192540493 1135032543 /nfs/dbraw/zinc/03/25/43/1135032543.db2.gz NFAVUEUVPOCJLU-CQSZACIVSA-N -1 1 347.361 3.794 20 0 EHADMM O=C(NCCc1ccccc1C(F)(F)F)c1cc([O-])cc(F)c1F ZINC001192678486 1135044537 /nfs/dbraw/zinc/04/45/37/1135044537.db2.gz DDYIDIVLRANALE-UHFFFAOYSA-N -1 1 345.267 3.662 20 0 EHADMM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1F)CC(F)(F)F ZINC001192905561 1135071762 /nfs/dbraw/zinc/07/17/62/1135071762.db2.gz PMFOBHGPSUCQAG-UHFFFAOYSA-N -1 1 347.761 3.736 20 0 EHADMM O=S(=O)(CC1CCC1)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC001193505385 1135148298 /nfs/dbraw/zinc/14/82/98/1135148298.db2.gz DMSLCGHHBQUTSM-UHFFFAOYSA-N -1 1 327.755 3.901 20 0 EHADMM Cc1cc2cc([N-]S(=O)(=O)Cc3noc4ccccc43)ccc2o1 ZINC001194100021 1135232551 /nfs/dbraw/zinc/23/25/51/1135232551.db2.gz YTTGQBWKCDTJQH-UHFFFAOYSA-N -1 1 342.376 3.824 20 0 EHADMM CSc1cc(F)ccc1[N-]C(=O)c1coc(-c2cccnc2)n1 ZINC001130293824 1135299357 /nfs/dbraw/zinc/29/93/57/1135299357.db2.gz PKHJGQNRCIHHLI-UHFFFAOYSA-N -1 1 329.356 3.850 20 0 EHADMM Cc1ccc(OC(C)C)cc1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194782887 1135315567 /nfs/dbraw/zinc/31/55/67/1135315567.db2.gz YPRYRCPTWAGIDA-UHFFFAOYSA-N -1 1 327.306 3.776 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(C)=O)c(C)c1C ZINC001194864799 1135331994 /nfs/dbraw/zinc/33/19/94/1135331994.db2.gz QIXDKWVABCJILO-UHFFFAOYSA-N -1 1 347.436 3.624 20 0 EHADMM CCON(Cc1cc(=O)oc2cc([O-])ccc12)CC1CCCCC1 ZINC001195186901 1135380095 /nfs/dbraw/zinc/38/00/95/1135380095.db2.gz HHDNSXJRDJSDGP-UHFFFAOYSA-N -1 1 331.412 3.832 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3ncncc3c2)c1 ZINC001195158756 1135384501 /nfs/dbraw/zinc/38/45/01/1135384501.db2.gz GSWIVCPZYJJQPF-UHFFFAOYSA-N -1 1 327.409 3.554 20 0 EHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2CO)c1 ZINC001195158525 1135384531 /nfs/dbraw/zinc/38/45/31/1135384531.db2.gz ASEDGQXXUQHMGO-UHFFFAOYSA-N -1 1 339.844 3.757 20 0 EHADMM COc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc(F)c1F ZINC001195168920 1135386349 /nfs/dbraw/zinc/38/63/49/1135386349.db2.gz BXKKVSUHDVJIHS-UHFFFAOYSA-N -1 1 341.379 3.898 20 0 EHADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2Cl)n1 ZINC001195277134 1135404195 /nfs/dbraw/zinc/40/41/95/1135404195.db2.gz FLQJBNCKTHNFDJ-UHFFFAOYSA-N -1 1 347.223 3.506 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001195494986 1135433995 /nfs/dbraw/zinc/43/39/95/1135433995.db2.gz VGGTZLAOWFSIAA-UHFFFAOYSA-N -1 1 348.374 3.979 20 0 EHADMM [O-]c1cnc(Cl)cc1NC(=S)NCc1cccc(Cl)c1 ZINC001195954196 1135500073 /nfs/dbraw/zinc/50/00/73/1135500073.db2.gz XAGQHFMJKNQUCH-UHFFFAOYSA-N -1 1 328.224 3.581 20 0 EHADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(C2CCCCC2)CC1 ZINC000747360644 1135502644 /nfs/dbraw/zinc/50/26/44/1135502644.db2.gz ZBNFZBYTCSVCEB-UHFFFAOYSA-N -1 1 349.500 3.645 20 0 EHADMM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000807369204 1135539567 /nfs/dbraw/zinc/53/95/67/1135539567.db2.gz YXYLYJYBYNAWCB-NSHDSACASA-N -1 1 341.798 3.806 20 0 EHADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc2cc(Cl)ccc2c1 ZINC001196411656 1135560181 /nfs/dbraw/zinc/56/01/81/1135560181.db2.gz DRJSVWCGYQSHKE-UHFFFAOYSA-N -1 1 333.796 4.000 20 0 EHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1 ZINC000808125224 1135615500 /nfs/dbraw/zinc/61/55/00/1135615500.db2.gz OCMOCDPJGZDCCD-LBPRGKRZSA-N -1 1 345.420 3.671 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3occc32)c(C)c1 ZINC001196885227 1135621695 /nfs/dbraw/zinc/62/16/95/1135621695.db2.gz HILJIBSBPYJSJU-UHFFFAOYSA-N -1 1 331.393 3.859 20 0 EHADMM CC(C)Oc1c(F)ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c1F ZINC001196912020 1135629777 /nfs/dbraw/zinc/62/97/77/1135629777.db2.gz WPSUPQPGSKLLGW-UHFFFAOYSA-N -1 1 347.321 3.586 20 0 EHADMM Cc1nc2cc(Cl)c([N-]C(=O)c3noc(C(C)(C)C)n3)cc2o1 ZINC001196990118 1135637941 /nfs/dbraw/zinc/63/79/41/1135637941.db2.gz YZACGQQUHALTKG-UHFFFAOYSA-N -1 1 334.763 3.722 20 0 EHADMM CSc1cccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000808570597 1135696039 /nfs/dbraw/zinc/69/60/39/1135696039.db2.gz ZSYQMOXNFYWWLN-KTKRTIGZSA-N -1 1 340.857 3.870 20 0 EHADMM [O-]c1cc(F)c(NC(=S)NCc2ccc(Cl)cc2)c(F)c1 ZINC001197582206 1135709949 /nfs/dbraw/zinc/70/99/49/1135709949.db2.gz XHCVADZNTWXRCM-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM O=C([N-]CC(F)(F)c1ccc(F)cc1)C(F)(F)Cc1ccccc1 ZINC001131435295 1135734061 /nfs/dbraw/zinc/73/40/61/1135734061.db2.gz SMNGJXAMSRKYAV-UHFFFAOYSA-N -1 1 343.295 3.912 20 0 EHADMM CC(C)(C)Sc1ccccc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197829302 1135744862 /nfs/dbraw/zinc/74/48/62/1135744862.db2.gz GTJHCKWIBWOBBJ-UHFFFAOYSA-N -1 1 336.482 3.914 20 0 EHADMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1 ZINC001198105442 1135776335 /nfs/dbraw/zinc/77/63/35/1135776335.db2.gz LDDLRHJIBGRUAJ-UHFFFAOYSA-N -1 1 341.436 3.728 20 0 EHADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc2occc2c1 ZINC001198863336 1135862722 /nfs/dbraw/zinc/86/27/22/1135862722.db2.gz YXXSIEWTHZISKQ-UHFFFAOYSA-N -1 1 339.319 3.835 20 0 EHADMM O=S(=O)([N-][C@@H](c1cccs1)C1CC1)c1ccc(F)c(F)c1F ZINC000809735629 1135873622 /nfs/dbraw/zinc/87/36/22/1135873622.db2.gz MQGJICFEQUPPPV-CQSZACIVSA-N -1 1 347.383 3.595 20 0 EHADMM CCOC(=O)c1ccc(NC(=S)Nc2cccc(F)c2[O-])cc1 ZINC001199042853 1135875318 /nfs/dbraw/zinc/87/53/18/1135875318.db2.gz RXAJUTWMDXNJGE-UHFFFAOYSA-N -1 1 334.372 3.517 20 0 EHADMM CCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2[O-])cc1 ZINC001199041337 1135875570 /nfs/dbraw/zinc/87/55/70/1135875570.db2.gz IQIZHZHQTYRPNK-UHFFFAOYSA-N -1 1 334.372 3.517 20 0 EHADMM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2c([O-])cccc2Cl)c1 ZINC000776016666 1135921461 /nfs/dbraw/zinc/92/14/61/1135921461.db2.gz QYGIAYXZWQTGLH-UKRRQHHQSA-N -1 1 331.799 3.730 20 0 EHADMM C[C@]1(COC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)CC1(F)F ZINC000851254874 1136357868 /nfs/dbraw/zinc/35/78/68/1136357868.db2.gz FMYWWEWYXBHORN-QGZVFWFLSA-N -1 1 349.333 3.574 20 0 EHADMM CCOC(=O)c1cccc2nc(NC(=O)[C@H](C)c3cccs3)[nH]c21 ZINC001134753548 1136528039 /nfs/dbraw/zinc/52/80/39/1136528039.db2.gz QTCNHKIUOWUOCZ-SNVBAGLBSA-N -1 1 343.408 3.543 20 0 EHADMM Cn1ccnc1COc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000815116932 1136551430 /nfs/dbraw/zinc/55/14/30/1136551430.db2.gz HGNIJSIDKKRWKP-UHFFFAOYSA-N -1 1 343.814 3.970 20 0 EHADMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111667982 1136569796 /nfs/dbraw/zinc/56/97/96/1136569796.db2.gz XAXLDBLIMISHQV-QMTHXVAHSA-N -1 1 344.798 3.892 20 0 EHADMM CON(C(=O)c1cc(SC)ccc1[O-])[C@H](C)c1csc(C)n1 ZINC000854754317 1136641308 /nfs/dbraw/zinc/64/13/08/1136641308.db2.gz LYFCYDNHUKXODP-SECBINFHSA-N -1 1 338.454 3.644 20 0 EHADMM O=C([N-]OC1CCCCC1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000816211836 1136686417 /nfs/dbraw/zinc/68/64/17/1136686417.db2.gz SKTPPGPFSFPEFL-UHFFFAOYSA-N -1 1 335.419 3.546 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000855690389 1136718399 /nfs/dbraw/zinc/71/83/99/1136718399.db2.gz OJQUNZQSJBUUDB-UHFFFAOYSA-N -1 1 333.476 3.902 20 0 EHADMM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1cn[nH]c1 ZINC000857475759 1136875230 /nfs/dbraw/zinc/87/52/30/1136875230.db2.gz BVUIQCLOZFWNLE-ZETCQYMHSA-N -1 1 334.153 3.686 20 0 EHADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000028498108 1136877526 /nfs/dbraw/zinc/87/75/26/1136877526.db2.gz HDVPBRQBODLSQT-UHFFFAOYSA-N -1 1 328.437 3.965 20 0 EHADMM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001136236247 1136948823 /nfs/dbraw/zinc/94/88/23/1136948823.db2.gz PYOFISIKTDILHL-JTQLQIEISA-N -1 1 330.384 3.974 20 0 EHADMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)cc2)c1 ZINC001136274564 1136964013 /nfs/dbraw/zinc/96/40/13/1136964013.db2.gz DWYLGLJSBMKFSE-UHFFFAOYSA-N -1 1 340.379 3.556 20 0 EHADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001136642864 1137077698 /nfs/dbraw/zinc/07/76/98/1137077698.db2.gz QCQXIVZQYJHNLK-SNVBAGLBSA-N -1 1 341.304 3.911 20 0 EHADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001136642863 1137077711 /nfs/dbraw/zinc/07/77/11/1137077711.db2.gz QCQXIVZQYJHNLK-JTQLQIEISA-N -1 1 341.304 3.911 20 0 EHADMM CSc1nc(C)c(CCC(=O)O[C@@H]2CCCCC2(C)C)c(=O)[n-]1 ZINC000861298688 1137100476 /nfs/dbraw/zinc/10/04/76/1137100476.db2.gz JZUYCFCSVNWNMX-CYBMUJFWSA-N -1 1 338.473 3.657 20 0 EHADMM Cc1ccccc1[C@H](NC(=O)c1cnncc1[O-])[C@H]1CCC[C@@H](C)C1 ZINC001136731807 1137104071 /nfs/dbraw/zinc/10/40/71/1137104071.db2.gz HRQIQPUBASKSBW-FRIZHTMISA-N -1 1 339.439 3.788 20 0 EHADMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136748573 1137106237 /nfs/dbraw/zinc/10/62/37/1137106237.db2.gz RNKGYSWRZQEIPJ-INIZCTEOSA-N -1 1 345.826 3.918 20 0 EHADMM O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1ccc(O)cc1[O-] ZINC001136762126 1137109262 /nfs/dbraw/zinc/10/92/62/1137109262.db2.gz HDDPABUDRBGUPE-SREVYHEPSA-N -1 1 338.388 3.977 20 0 EHADMM O=C(NCCc1ccc(F)cc1F)c1ccc2ccccc2c1[O-] ZINC001136764728 1137109813 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20 0 EHADMM CCCN(Cc1csc(C(C)C)n1)C1CCN(C(=O)[O-])CC1 ZINC000826917203 605474777 /nfs/dbraw/zinc/47/47/77/605474777.db2.gz ZMLGVFQBKWHYPF-UHFFFAOYSA-N -1 1 325.478 3.621 20 0 EHADMM C[C@H](C[C@H]1CCCN1C(=O)[O-])N[C@@H](c1nccs1)c1ccccc1 ZINC000824768865 605494259 /nfs/dbraw/zinc/49/42/59/605494259.db2.gz QONLCQQXPXJYAA-FVQBIDKESA-N -1 1 345.468 3.743 20 0 EHADMM CC(C)Oc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000824334592 608183847 /nfs/dbraw/zinc/18/38/47/608183847.db2.gz YMCCEPBDHZDNJE-UHFFFAOYSA-N -1 1 337.792 3.556 20 0 EHADMM C[C@@H](CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)C1CC1 ZINC000824385329 608349706 /nfs/dbraw/zinc/34/97/06/608349706.db2.gz QPPTZQCQQUHWAW-VIFPVBQESA-N -1 1 333.461 3.600 20 0 EHADMM C[C@@H](CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)C1CC1 ZINC000824385329 608349708 /nfs/dbraw/zinc/34/97/08/608349708.db2.gz QPPTZQCQQUHWAW-VIFPVBQESA-N -1 1 333.461 3.600 20 0 EHADMM Clc1cc(Cl)cc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826350629 948097917 /nfs/dbraw/zinc/09/79/17/948097917.db2.gz FHRPEVMOOUEEBA-UHFFFAOYSA-N -1 1 326.212 3.847 20 0 EHADMM O=C([O-])c1ccccc1OCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000364249733 971540892 /nfs/dbraw/zinc/54/08/92/971540892.db2.gz LQEWXTOKTIHBQF-SFHVURJKSA-N -1 1 343.448 3.554 20 0 EHADMM CC(C)C1CCC(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001574093585 949109661 /nfs/dbraw/zinc/10/96/61/949109661.db2.gz WCRJBNVZBQUPHN-UHFFFAOYSA-N -1 1 340.884 3.851 20 0 EHADMM CC(C)C1CCC(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001574093585 949109676 /nfs/dbraw/zinc/10/96/76/949109676.db2.gz WCRJBNVZBQUPHN-UHFFFAOYSA-N -1 1 340.884 3.851 20 0 EHADMM COc1ccc(Cl)cc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000321316990 951014405 /nfs/dbraw/zinc/01/44/05/951014405.db2.gz NJHWHRILWLYPKF-KRWDZBQOSA-N -1 1 331.799 3.533 20 0 EHADMM O=C([O-])CCCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC001595029233 951365257 /nfs/dbraw/zinc/36/52/57/951365257.db2.gz XXJRPRWPPBKNRY-UHFFFAOYSA-N -1 1 341.342 3.562 20 0 EHADMM O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000584356550 953732880 /nfs/dbraw/zinc/73/28/80/953732880.db2.gz RZYIBADKDUBMSP-KRWDZBQOSA-N -1 1 349.789 3.542 20 0 EHADMM O=C([O-])[C@@H]1c2ccccc2CCN1CCOc1ccc(F)cc1Cl ZINC000584356550 953732887 /nfs/dbraw/zinc/73/28/87/953732887.db2.gz RZYIBADKDUBMSP-KRWDZBQOSA-N -1 1 349.789 3.542 20 0 EHADMM O=C([O-])[C@H]1C[N@@H+](CCCc2c(F)cccc2F)Cc2ccccc21 ZINC000656190829 954299821 /nfs/dbraw/zinc/29/98/21/954299821.db2.gz SKEORTVETDTSCL-INIZCTEOSA-N -1 1 331.362 3.581 20 0 EHADMM CC(C)N(Cc1ccco1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904190468 956915139 /nfs/dbraw/zinc/91/51/39/956915139.db2.gz HOQQFVYUUMVBSS-UHFFFAOYSA-N -1 1 346.427 3.584 20 0 EHADMM CC1(C)Cc2nc(CN3CCC(C(=O)[O-])CC3)sc2C(C)(C)C1 ZINC000923222613 957104424 /nfs/dbraw/zinc/10/44/24/957104424.db2.gz MEAHIPGXXYBBNP-UHFFFAOYSA-N -1 1 336.501 3.690 20 0 EHADMM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccccc1Br ZINC000167671903 959354291 /nfs/dbraw/zinc/35/42/91/959354291.db2.gz AHPLKJTZSUHAIO-LBPRGKRZSA-N -1 1 348.240 3.927 20 0 EHADMM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000238187024 961152302 /nfs/dbraw/zinc/15/23/02/961152302.db2.gz CVHMPKHPMMMWQH-UHFFFAOYSA-N -1 1 341.754 3.681 20 0 EHADMM C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315832961 963940013 /nfs/dbraw/zinc/94/00/13/963940013.db2.gz BWZKVLHSOSWECA-AMIZOPFISA-N -1 1 339.716 3.879 20 0 EHADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137270787 967641470 /nfs/dbraw/zinc/64/14/70/967641470.db2.gz YRVDINFAZSESOC-GFCCVEGCSA-N -1 1 332.625 3.542 20 0 EHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2ccccc2F)n1 ZINC000570718760 968446271 /nfs/dbraw/zinc/44/62/71/968446271.db2.gz CKKSQBSZDGDFPM-NEPJUHHUSA-N -1 1 334.416 3.634 20 0 EHADMM CCOc1ccc2nc(SCc3cc(C(=O)[O-])oc3C)[nH]c2c1 ZINC000321022891 970736761 /nfs/dbraw/zinc/73/67/61/970736761.db2.gz OMVRJVBWQJIXTJ-UHFFFAOYSA-N -1 1 332.381 3.854 20 0 EHADMM Cc1cccc([C@H](NCc2cccc(F)c2OC(F)F)C(=O)[O-])c1 ZINC001605328787 973187883 /nfs/dbraw/zinc/18/78/83/973187883.db2.gz DKVHTPUBHSVSPM-AWEZNQCLSA-N -1 1 339.313 3.651 20 0 EHADMM C[C@H]1CCc2nc(CN[C@@H](CCC(=O)[O-])c3ccccc3)sc2C1 ZINC000417605061 973963967 /nfs/dbraw/zinc/96/39/67/973963967.db2.gz XAAIDIXJGDPUOV-ZFWWWQNUSA-N -1 1 344.480 3.964 20 0 EHADMM Cc1nc(C(F)(F)F)c(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)s1 ZINC000530178181 974364090 /nfs/dbraw/zinc/36/40/90/974364090.db2.gz ZNHLPEOLKBMYBG-YUMQZZPRSA-N -1 1 336.379 3.544 20 0 EHADMM CN(C[C@@H]1CCCCO1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000570689683 974716724 /nfs/dbraw/zinc/71/67/24/974716724.db2.gz RSNOISYNTTUFFS-IINYFYTJSA-N -1 1 332.227 3.620 20 0 EHADMM O=C([O-])c1occc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000572296175 974745172 /nfs/dbraw/zinc/74/51/72/974745172.db2.gz RPKHKWHQGFKTAZ-UHFFFAOYSA-N -1 1 347.798 3.726 20 0 EHADMM Cc1ccc(OCCN(C)Cc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000576879763 974824538 /nfs/dbraw/zinc/82/45/38/974824538.db2.gz JCHGXIMKFNFXIM-UHFFFAOYSA-N -1 1 333.815 3.857 20 0 EHADMM O=C([O-])CC1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000581729335 974914656 /nfs/dbraw/zinc/91/46/56/974914656.db2.gz ROWSOIKVYZHWFV-UHFFFAOYSA-N -1 1 338.329 3.945 20 0 EHADMM O=C([O-])[C@@H]1CCN(Cc2csc(C3CCCC3)n2)[C@H]2CCC[C@@H]21 ZINC000629373688 975088834 /nfs/dbraw/zinc/08/88/34/975088834.db2.gz KXEVSYLDPSHKER-OAGGEKHMSA-N -1 1 334.485 3.876 20 0 EHADMM O=C([O-])c1ccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)cc1Cl ZINC000634697683 975275180 /nfs/dbraw/zinc/27/51/80/975275180.db2.gz OSDTUBPCYAWMHT-OAHLLOKOSA-N -1 1 349.789 3.831 20 0 EHADMM CC(C)c1[nH]c(CN2CCC3(CC2)C(F)(F)C3(F)F)cc1C(=O)[O-] ZINC001591912637 976348730 /nfs/dbraw/zinc/34/87/30/976348730.db2.gz POPUEQGLEZZTKI-UHFFFAOYSA-N -1 1 348.340 3.703 20 0 EHADMM CC(C)c1[nH]c(CN[C@H]2CCOc3ccc(F)cc32)cc1C(=O)[O-] ZINC001591916827 976370720 /nfs/dbraw/zinc/37/07/20/976370720.db2.gz RYFHVAMYYYPSAE-HNNXBMFYSA-N -1 1 332.375 3.589 20 0 EHADMM CC(C)c1ccc(OCCN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001591972977 976574398 /nfs/dbraw/zinc/57/43/98/976574398.db2.gz SOAJKSATQRSBCU-GFCCVEGCSA-N -1 1 334.441 3.694 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001591986387 976608467 /nfs/dbraw/zinc/60/84/67/976608467.db2.gz DEKGPCHEVUMHLP-WMLDXEAASA-N -1 1 346.471 3.667 20 0 EHADMM CC(C)n1ncc2c1[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)CCC2 ZINC001592157565 977034488 /nfs/dbraw/zinc/03/44/88/977034488.db2.gz JTZFRQZKGDMHGV-INIZCTEOSA-N -1 1 347.846 3.983 20 0 EHADMM C[C@H](CC(=O)[O-])C(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 ZINC001592361865 977851816 /nfs/dbraw/zinc/85/18/16/977851816.db2.gz HQVWGPKUYOHOLV-GFCCVEGCSA-N -1 1 343.427 3.735 20 0 EHADMM Cc1cccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1F ZINC000547631165 1014484847 /nfs/dbraw/zinc/48/48/47/1014484847.db2.gz AIGUKKGVOSXURH-UHFFFAOYSA-N -1 1 330.384 3.792 20 0 EHADMM C[C@@H](CCO)N(Cc1ccccc1)Cc1c(Cl)cccc1C(=O)[O-] ZINC001592530705 978401050 /nfs/dbraw/zinc/40/10/50/978401050.db2.gz WCNPMHDIBHHUKZ-AWEZNQCLSA-N -1 1 347.842 3.811 20 0 EHADMM C[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)Oc1ccccc1Cl ZINC001592705029 979166255 /nfs/dbraw/zinc/16/62/55/979166255.db2.gz COAXUHDAZCECMZ-UWVGGRQHSA-N -1 1 340.832 3.613 20 0 EHADMM C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC(C)(C)O1 ZINC000859783296 979629718 /nfs/dbraw/zinc/62/97/18/979629718.db2.gz PTNPHBZTINNVLL-ZDUSSCGKSA-N -1 1 329.396 3.644 20 0 EHADMM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H](C)c1ccc(F)cc1)CC2 ZINC000871620816 979958889 /nfs/dbraw/zinc/95/88/89/979958889.db2.gz MGUZLOUOOWUWDW-CYBMUJFWSA-N -1 1 343.398 3.694 20 0 EHADMM CC[C@H](NCCOc1ccc(C(=O)[O-])cc1Cl)c1nccs1 ZINC001595292985 980399645 /nfs/dbraw/zinc/39/96/45/980399645.db2.gz IYEZBIKCMOKXKY-LBPRGKRZSA-N -1 1 340.832 3.614 20 0 EHADMM COc1cc([C@H](C)NCc2ccoc2C(=O)[O-])ccc1OC(C)C ZINC000902117563 980742921 /nfs/dbraw/zinc/74/29/21/980742921.db2.gz APIJRDXGHUNKLN-LBPRGKRZSA-N -1 1 333.384 3.624 20 0 EHADMM CC[C@H](c1ccccc1)N(CC)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595364682 980796804 /nfs/dbraw/zinc/79/68/04/980796804.db2.gz VTPVRCPNWLZRBT-GOSISDBHSA-N -1 1 340.423 3.797 20 0 EHADMM O=C([O-])c1ccc(CN2CCCC(F)(F)CC2)cc1Br ZINC000902303202 980824999 /nfs/dbraw/zinc/82/49/99/980824999.db2.gz GMYDVFMYPLHHRW-UHFFFAOYSA-N -1 1 348.187 3.769 20 0 EHADMM C[C@H](NCc1cc(C(=O)[O-])co1)c1cccc(OC(F)(F)F)c1 ZINC000902342988 980841899 /nfs/dbraw/zinc/84/18/99/980841899.db2.gz LTCHIOCCVOSGMK-VIFPVBQESA-N -1 1 329.274 3.727 20 0 EHADMM Cc1oc(CNCc2cccc(Br)c2C)cc1C(=O)[O-] ZINC000902354558 980847949 /nfs/dbraw/zinc/84/79/49/980847949.db2.gz HGMFUZWSHOZPEI-UHFFFAOYSA-N -1 1 338.201 3.647 20 0 EHADMM Cc1ccc(OC(F)F)c(CNCc2cc(C(=O)[O-])cs2)c1 ZINC000902357124 980850674 /nfs/dbraw/zinc/85/06/74/980850674.db2.gz WGMOPHAQXLZOFO-UHFFFAOYSA-N -1 1 327.352 3.646 20 0 EHADMM O=C([O-])c1coc(CN2CCC[C@H](COc3ccccc3Cl)C2)c1 ZINC000902366038 980855772 /nfs/dbraw/zinc/85/57/72/980855772.db2.gz JSWBFOWTUIEGDB-ZDUSSCGKSA-N -1 1 349.814 3.922 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccccc1CC(F)(F)F ZINC000902424883 980880488 /nfs/dbraw/zinc/88/04/88/980880488.db2.gz RJHKQJVBSBPFTC-UHFFFAOYSA-N -1 1 327.302 3.681 20 0 EHADMM Cc1ccc([C@@H](NCc2ccc(C(F)(F)F)cn2)C(=O)[O-])cc1C ZINC000905381931 981103263 /nfs/dbraw/zinc/10/32/63/981103263.db2.gz SXNCHZCHEMSXIC-OAHLLOKOSA-N -1 1 338.329 3.633 20 0 EHADMM O=C([O-])c1cnc([C@H]2CCN(Cc3cc(Cl)cs3)C2)s1 ZINC000905740398 981133477 /nfs/dbraw/zinc/13/34/77/981133477.db2.gz PBIYXRQQEJTODE-QMMMGPOBSA-N -1 1 328.846 3.546 20 0 EHADMM CC[C@@H]1Cc2c(Br)cccc2CN1C/C=C(\C)C(=O)[O-] ZINC001595499930 981267833 /nfs/dbraw/zinc/26/78/33/981267833.db2.gz DXAMXGTVOXKGCW-SVTZGKHISA-N -1 1 338.245 3.617 20 0 EHADMM CCCN(CCC)c1ccc(NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)cc1 ZINC001595880149 982887068 /nfs/dbraw/zinc/88/70/68/982887068.db2.gz YINOOEPYNGWDJH-HUUCEWRRSA-N -1 1 326.387 3.691 20 0 EHADMM COCc1ccccc1/C=C(\C)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001119598325 982999671 /nfs/dbraw/zinc/99/96/71/982999671.db2.gz YJMLEIRGBXGEPG-NTEUORMPSA-N -1 1 343.423 3.968 20 0 EHADMM COc1ccc(CN(C(=O)c2ccc([O-])c(F)c2)[C@H](C)C2CC2)cc1 ZINC000655089720 1014972194 /nfs/dbraw/zinc/97/21/94/1014972194.db2.gz PZRPNISOKUQLDM-CYBMUJFWSA-N -1 1 343.398 3.981 20 0 EHADMM Cc1[nH]c(C(=O)CN2CC[C@@H](C)[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599944784 985507496 /nfs/dbraw/zinc/50/74/96/985507496.db2.gz PDNRMQYXDONIMB-BLVKFPJESA-N -1 1 340.423 3.596 20 0 EHADMM Cc1c(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])ccc2cncn21 ZINC001599983532 986197530 /nfs/dbraw/zinc/19/75/30/986197530.db2.gz FRWFMRMDSFDBLJ-UHFFFAOYSA-N -1 1 337.379 3.717 20 0 EHADMM CCOc1cc(C(=O)N2Cc3ccc(OC)cc3C2)cc(Cl)c1[O-] ZINC000655316652 1015345533 /nfs/dbraw/zinc/34/55/33/1015345533.db2.gz XXYVDVJTZZASNR-UHFFFAOYSA-N -1 1 347.798 3.609 20 0 EHADMM CCc1oc(CN[C@@H](CC)c2ccc(OC)c(OC)c2)cc1C(=O)[O-] ZINC001597799880 989387931 /nfs/dbraw/zinc/38/79/31/989387931.db2.gz VPXFRZVWARKAHI-HNNXBMFYSA-N -1 1 347.411 3.798 20 0 EHADMM CC(C)(CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)C(=O)[O-] ZINC001590820641 990656680 /nfs/dbraw/zinc/65/66/80/990656680.db2.gz XCNYAILPADIAAM-UHFFFAOYSA-N -1 1 346.239 3.981 20 0 EHADMM COc1ccccc1[C@@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599704059 991265447 /nfs/dbraw/zinc/26/54/47/991265447.db2.gz MJEHQMVGDHLJFW-INIZCTEOSA-N -1 1 328.412 3.757 20 0 EHADMM CC(C)CC(=O)Nc1cccc(CNCc2ccsc2C(=O)[O-])c1 ZINC001591118214 991781557 /nfs/dbraw/zinc/78/15/57/991781557.db2.gz NTPYUUMQQWBSHB-UHFFFAOYSA-N -1 1 346.452 3.721 20 0 EHADMM O=C([O-])[C@@H](NCc1cc(F)c(F)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000426732137 1032122853 /nfs/dbraw/zinc/12/28/53/1032122853.db2.gz RSQBIYILVLAYBI-AWEZNQCLSA-N -1 1 347.695 3.812 20 0 EHADMM Cc1nc(NC(=O)c2cncc([O-])c2)sc1Cc1cccc(F)c1 ZINC000339813666 1015697753 /nfs/dbraw/zinc/69/77/53/1015697753.db2.gz PDZWNELNFIFTNX-UHFFFAOYSA-N -1 1 343.383 3.534 20 0 EHADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000339815960 1015699019 /nfs/dbraw/zinc/69/90/19/1015699019.db2.gz TZULETUYOYLRGK-HNNXBMFYSA-N -1 1 347.212 3.527 20 0 EHADMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cncc([O-])c1 ZINC000339827707 1015715510 /nfs/dbraw/zinc/71/55/10/1015715510.db2.gz 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3.664 20 0 EHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001593725356 996277465 /nfs/dbraw/zinc/27/74/65/996277465.db2.gz QBEMTQOGBAZDLG-TZMCWYRMSA-N -1 1 339.395 3.795 20 0 EHADMM CC(C)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000180818634 1016041285 /nfs/dbraw/zinc/04/12/85/1016041285.db2.gz CBATYFHNNLNOKC-UHFFFAOYSA-N -1 1 348.255 3.782 20 0 EHADMM COCc1cc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)ccc1F ZINC001599282031 996907915 /nfs/dbraw/zinc/90/79/15/996907915.db2.gz FRPZLSKGLDUYNA-MRXNPFEDSA-N -1 1 337.778 3.541 20 0 EHADMM CC1(c2ccccc2C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CC1 ZINC001594081624 997985190 /nfs/dbraw/zinc/98/51/90/997985190.db2.gz PXULEUVQDHSCJI-UHFFFAOYSA-N -1 1 335.363 3.565 20 0 EHADMM COCCN(Cc1ccc(C(=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC001599238869 997998340 /nfs/dbraw/zinc/99/83/40/997998340.db2.gz UNOYINUIVOVHBN-AWEZNQCLSA-N -1 1 331.387 3.734 20 0 EHADMM C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594217000 998835894 /nfs/dbraw/zinc/83/58/94/998835894.db2.gz ZGHUOZKBKXDBHN-OCCSQVGLSA-N -1 1 329.444 3.908 20 0 EHADMM CCOc1cc(C(=O)N(Cc2ccoc2)C2CC2)cc(Cl)c1[O-] ZINC000889099557 1016323285 /nfs/dbraw/zinc/32/32/85/1016323285.db2.gz HKVQKUCBKLLTMA-UHFFFAOYSA-N -1 1 335.787 3.842 20 0 EHADMM Cc1cccc2c1CN(C(=O)c1ccc(Br)c([O-])c1)CC2 ZINC000430356457 1016443658 /nfs/dbraw/zinc/44/36/58/1016443658.db2.gz ITASWMQAAGBOKE-UHFFFAOYSA-N -1 1 346.224 3.662 20 0 EHADMM Cc1ccc2c([O-])c(C(=O)N(C)C[C@@H](C)c3ccccc3)cnc2n1 ZINC000340250828 1016788083 /nfs/dbraw/zinc/78/80/83/1016788083.db2.gz OYWJVYRZZJVTJJ-CYBMUJFWSA-N -1 1 335.407 3.520 20 0 EHADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)C[C@@H](C)c1ccccc1)c2=O ZINC000340250828 1016788090 /nfs/dbraw/zinc/78/80/90/1016788090.db2.gz OYWJVYRZZJVTJJ-CYBMUJFWSA-N -1 1 335.407 3.520 20 0 EHADMM CN(CC1CCCCC1)C(=O)c1ccc(Br)c([O-])c1 ZINC000179397699 1016868969 /nfs/dbraw/zinc/86/89/69/1016868969.db2.gz SEXDRGHVIPSQMH-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(C)(C)C)nc1 ZINC000890795953 1016897653 /nfs/dbraw/zinc/89/76/53/1016897653.db2.gz GRPYNVUISXENBP-UHFFFAOYSA-N -1 1 328.416 3.559 20 0 EHADMM Cc1csc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000180497636 1016902911 /nfs/dbraw/zinc/90/29/11/1016902911.db2.gz OIPVZUMVJIVTJC-QMMMGPOBSA-N -1 1 330.331 3.667 20 0 EHADMM O=C(Nc1cccc(-c2nnco2)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180427507 1016905713 /nfs/dbraw/zinc/90/57/13/1016905713.db2.gz NECUEWXDFQPSOB-UHFFFAOYSA-N -1 1 349.268 3.713 20 0 EHADMM COc1ccccc1C1(CNC(=O)c2ccc([O-])cc2F)CCCC1 ZINC000181170015 1016911515 /nfs/dbraw/zinc/91/15/15/1016911515.db2.gz GPQMFLHNAUALLY-UHFFFAOYSA-N -1 1 343.398 3.782 20 0 EHADMM C[C@@H](CCN1Cc2ccc(C(=O)[O-])cc2C1)OCc1ccccc1 ZINC000659790733 1017022245 /nfs/dbraw/zinc/02/22/45/1017022245.db2.gz HTGUSXBYHHXWBB-HNNXBMFYSA-N -1 1 325.408 3.696 20 0 EHADMM Cc1cc(CN2CCC3(CCc4ccccc4O3)CC2)oc1C(=O)[O-] ZINC000659802112 1017046824 /nfs/dbraw/zinc/04/68/24/1017046824.db2.gz PQOCAYHHAWQZLU-UHFFFAOYSA-N -1 1 341.407 3.646 20 0 EHADMM C[C@H](c1cc(Cl)ccc1Cl)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000343764460 1032288325 /nfs/dbraw/zinc/28/83/25/1032288325.db2.gz LVJOCORXTNHIKL-SECBINFHSA-N -1 1 341.242 3.758 20 0 EHADMM Cc1ccnc(C2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)n1 ZINC000376836461 1017147113 /nfs/dbraw/zinc/14/71/13/1017147113.db2.gz KIIFUVVDLRQNDF-UHFFFAOYSA-N -1 1 347.418 3.664 20 0 EHADMM CCOc1cc(C(=O)N[C@H](c2ccncc2)C2CC2)cc(Cl)c1[O-] ZINC000890919778 1017354838 /nfs/dbraw/zinc/35/48/38/1017354838.db2.gz BZDQWWSCIJOJRT-INIZCTEOSA-N -1 1 346.814 3.720 20 0 EHADMM COc1cc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)ccc1C ZINC000683696748 1018052781 /nfs/dbraw/zinc/05/27/81/1018052781.db2.gz UHWBMLBDOGFZBX-UHFFFAOYSA-N -1 1 339.435 3.804 20 0 EHADMM CC(C)CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047120050 1018058950 /nfs/dbraw/zinc/05/89/50/1018058950.db2.gz JVBPOGZSCWFBEK-UHFFFAOYSA-N -1 1 346.452 3.862 20 0 EHADMM COc1ccccc1C/C(C)=C\C(=O)Nc1cc([O-])c(F)cc1F ZINC001625892990 1018530341 /nfs/dbraw/zinc/53/03/41/1018530341.db2.gz CQBXQJSSTSQNKP-FLIBITNWSA-N -1 1 333.334 3.807 20 0 EHADMM O=C(COc1cc(Cl)ccc1Cl)Nc1cc([O-])c(F)cc1F ZINC001625893335 1018585782 /nfs/dbraw/zinc/58/57/82/1018585782.db2.gz GMKSUKQRWSQBIP-UHFFFAOYSA-N -1 1 348.132 3.995 20 0 EHADMM O=C(Nc1cccc(NCC(F)(F)F)c1)c1ccc([O-])cc1F ZINC000548078680 1019040995 /nfs/dbraw/zinc/04/09/95/1019040995.db2.gz SQKPZZNAOUEWCN-UHFFFAOYSA-N -1 1 328.265 3.758 20 0 EHADMM Cc1c(C(=O)Nc2c([O-])cccc2F)cnn1-c1ccccc1C ZINC000089541350 1019188492 /nfs/dbraw/zinc/18/84/92/1019188492.db2.gz WAGDBMYUMGYVIP-UHFFFAOYSA-N -1 1 325.343 3.586 20 0 EHADMM C[C@H](NCc1cccc([O-])c1Cl)c1nc(Cc2ccccc2)no1 ZINC000513163715 1019254694 /nfs/dbraw/zinc/25/46/94/1019254694.db2.gz BNPYOMXRZKSADM-LBPRGKRZSA-N -1 1 343.814 3.870 20 0 EHADMM C[C@@H](NCc1cccc([O-])c1Cl)c1nc(Cc2ccccc2)no1 ZINC000513163713 1019255748 /nfs/dbraw/zinc/25/57/48/1019255748.db2.gz BNPYOMXRZKSADM-GFCCVEGCSA-N -1 1 343.814 3.870 20 0 EHADMM CC1(C)CCCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000087658494 1019267508 /nfs/dbraw/zinc/26/75/08/1019267508.db2.gz RCTAQIWQXFZHRM-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccnc2C2CC2)c1 ZINC000345270483 1020099320 /nfs/dbraw/zinc/09/93/20/1020099320.db2.gz WVMXTDVWRJQALL-UHFFFAOYSA-N -1 1 347.212 3.988 20 0 EHADMM Cn1ncc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1Cl ZINC001167445272 1020404812 /nfs/dbraw/zinc/40/48/12/1020404812.db2.gz VSYXSWQLOLBYNF-UHFFFAOYSA-N -1 1 336.178 3.838 20 0 EHADMM O=C(NCc1ccc(-c2ccco2)cc1F)c1ccc([O-])c(F)c1 ZINC000684155830 1020495299 /nfs/dbraw/zinc/49/52/99/1020495299.db2.gz ZVXZEWWRBJDGMY-UHFFFAOYSA-N -1 1 329.302 3.860 20 0 EHADMM Cc1cc(N=C([O-])Nc2ncc(-c3ccc(C)cc3C)s2)n[nH]1 ZINC000581169636 1020499189 /nfs/dbraw/zinc/49/91/89/1020499189.db2.gz FFXFHFFIFMYDGD-UHFFFAOYSA-N -1 1 327.413 3.524 20 0 EHADMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 ZINC000656612975 1021023363 /nfs/dbraw/zinc/02/33/63/1021023363.db2.gz DHHSJZGXHPZKTO-CYBMUJFWSA-N -1 1 347.436 3.867 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCCC[C@H]1c1ncon1 ZINC000276314956 1021023923 /nfs/dbraw/zinc/02/39/23/1021023923.db2.gz ZAOMTHBSZWYYHM-INIZCTEOSA-N -1 1 337.379 3.686 20 0 EHADMM CCCc1nc(C)c([N-]S(=O)(=O)CCc2ccc(F)cc2)s1 ZINC000656628620 1021063733 /nfs/dbraw/zinc/06/37/33/1021063733.db2.gz QDACSPAFIHECGM-UHFFFAOYSA-N -1 1 342.461 3.528 20 0 EHADMM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cncc([O-])c1 ZINC000518457643 1021198345 /nfs/dbraw/zinc/19/83/45/1021198345.db2.gz GASKJSMPTNCUNO-CYBMUJFWSA-N -1 1 339.222 3.845 20 0 EHADMM COC(=O)C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436778776 1021207442 /nfs/dbraw/zinc/20/74/42/1021207442.db2.gz SVLHNLPUPZPJGB-GOSISDBHSA-N -1 1 349.386 3.580 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2cccc(F)c2C1 ZINC000436767803 1021215371 /nfs/dbraw/zinc/21/53/71/1021215371.db2.gz INUYUNWKLCDHKR-UHFFFAOYSA-N -1 1 339.288 3.749 20 0 EHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CC(F)F)CC1CCC1 ZINC000436768291 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Cc1cc(CN(C)Cc2ccc(OC(F)(F)F)cc2)oc1C(=O)[O-] ZINC000563278210 1025557959 /nfs/dbraw/zinc/55/79/59/1025557959.db2.gz SIACKDLTIZABES-UHFFFAOYSA-N -1 1 343.301 3.817 20 0 EHADMM COc1cc(C(=O)N2CC[C@H](c3ccccc3C)C2)cc(Cl)c1[O-] ZINC000442955356 1025607441 /nfs/dbraw/zinc/60/74/41/1025607441.db2.gz KRKSZLZNHXQTCJ-ZDUSSCGKSA-N -1 1 345.826 3.992 20 0 EHADMM CC(C)c1cc(Br)ccc1NC(=O)c1cncc([O-])c1 ZINC000179359438 1025674065 /nfs/dbraw/zinc/67/40/65/1025674065.db2.gz GZAMUTJNXKGFNZ-UHFFFAOYSA-N -1 1 335.201 3.925 20 0 EHADMM Cc1cnc([C@H]([N-]S(=O)(=O)c2sccc2Cl)C2CC2)s1 ZINC000451246606 1025721893 /nfs/dbraw/zinc/72/18/93/1025721893.db2.gz KOXZEIFEONXCCW-SNVBAGLBSA-N -1 1 348.902 3.596 20 0 EHADMM COCCC1(c2noc(Cc3ccc([O-])c(Cl)c3)n2)CCCC1 ZINC000896623922 1025732191 /nfs/dbraw/zinc/73/21/91/1025732191.db2.gz RSHBIKWYZZQQRS-UHFFFAOYSA-N -1 1 336.819 3.868 20 0 EHADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1ccc(F)c(Br)c1 ZINC001227387514 1025791497 /nfs/dbraw/zinc/79/14/97/1025791497.db2.gz YUGKFRLYIUKVNO-LURJTMIESA-N -1 1 347.184 3.946 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)CCCc2sccc2C)c1 ZINC000436502339 1025817433 /nfs/dbraw/zinc/81/74/33/1025817433.db2.gz DBXHMZKDBFOTGH-UHFFFAOYSA-N -1 1 333.409 3.510 20 0 EHADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)CCc2cccc(F)c2)c1 ZINC000436502790 1025819162 /nfs/dbraw/zinc/81/91/62/1025819162.db2.gz FQZSHCMKZPKVPU-GFCCVEGCSA-N -1 1 345.370 3.525 20 0 EHADMM CC(C)(C)Oc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)nc1 ZINC000436522632 1025823080 /nfs/dbraw/zinc/82/30/80/1025823080.db2.gz VYCNNWXIHCBXDF-UHFFFAOYSA-N -1 1 329.331 3.821 20 0 EHADMM C[C@@H](SCc1ccccc1)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000515985220 1025838889 /nfs/dbraw/zinc/83/88/89/1025838889.db2.gz DQZSMSILYRJMIT-GFCCVEGCSA-N -1 1 343.477 3.821 20 0 EHADMM CC[C@]1(C)CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436577997 1025881827 /nfs/dbraw/zinc/88/18/27/1025881827.db2.gz VGXGDRJLBRGDAV-OAHLLOKOSA-N -1 1 326.234 3.807 20 0 EHADMM CC(C)c1ccc(C(=O)Nc2ccccc2O[C@H]2CCOC2)c([O-])c1 ZINC000436585028 1025925210 /nfs/dbraw/zinc/92/52/10/1025925210.db2.gz OULHOFUTPSYNHG-HNNXBMFYSA-N -1 1 341.407 3.936 20 0 EHADMM Cc1ccccc1SC=C([O-])Nc1nc(-c2ccccc2)ns1 ZINC000614688329 1025949126 /nfs/dbraw/zinc/94/91/26/1025949126.db2.gz HKTWWVFCHXGNFB-UHFFFAOYSA-N -1 1 341.461 3.666 20 0 EHADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1Cl ZINC000436636275 1025967598 /nfs/dbraw/zinc/96/75/98/1025967598.db2.gz QKWBQYAYNACELC-VIFPVBQESA-N -1 1 338.190 3.759 20 0 EHADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000582365687 1025971075 /nfs/dbraw/zinc/97/10/75/1025971075.db2.gz GEJDCRFDJXUPLC-AWEZNQCLSA-N -1 1 349.814 3.983 20 0 EHADMM CCOc1cc(-c2noc([C@](C)(OC)C3CC3)n2)cc(Cl)c1[O-] ZINC000436655696 1025984727 /nfs/dbraw/zinc/98/47/27/1025984727.db2.gz JYFQWPHZAICDJK-MRXNPFEDSA-N -1 1 338.791 3.766 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000436656950 1025985463 /nfs/dbraw/zinc/98/54/63/1025985463.db2.gz SKFWVEXKWBSXDP-UHFFFAOYSA-N -1 1 345.398 3.939 20 0 EHADMM O=C(NC[C@@H]1CCOc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000436642319 1025991422 /nfs/dbraw/zinc/99/14/22/1025991422.db2.gz ATXHDDIHYTZTBM-HNNXBMFYSA-N -1 1 333.387 3.842 20 0 EHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000443402520 1025997906 /nfs/dbraw/zinc/99/79/06/1025997906.db2.gz ZFHYRPWVWQIGEZ-UHFFFAOYSA-N -1 1 325.817 3.848 20 0 EHADMM O=C(Nc1ccc(OCCCO)cc1)c1ccc2ccccc2c1[O-] ZINC000436694975 1026052224 /nfs/dbraw/zinc/05/22/24/1026052224.db2.gz CAJGFRDEEAKRFR-UHFFFAOYSA-N -1 1 337.375 3.559 20 0 EHADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000684845746 1026054090 /nfs/dbraw/zinc/05/40/90/1026054090.db2.gz SGNYMQZABAYHEK-JTQLQIEISA-N -1 1 325.352 3.731 20 0 EHADMM CCc1nc(CCNC(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000436721194 1026095368 /nfs/dbraw/zinc/09/53/68/1026095368.db2.gz HDHKVNPLKCNLLL-UHFFFAOYSA-N -1 1 326.421 3.537 20 0 EHADMM C[C@H](CC(=O)[N-]OCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000909535979 1026112967 /nfs/dbraw/zinc/11/29/67/1026112967.db2.gz JUGFRVIXWOGWST-GFCCVEGCSA-N -1 1 338.329 3.842 20 0 EHADMM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000530771952 1026282954 /nfs/dbraw/zinc/28/29/54/1026282954.db2.gz PXSGHWKPNJBMAX-CQSZACIVSA-N -1 1 329.421 3.823 20 0 EHADMM CC(C)(C)c1nnc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000684874826 1026283525 /nfs/dbraw/zinc/28/35/25/1026283525.db2.gz VPUZAAPYXQEBPH-UHFFFAOYSA-N -1 1 345.346 3.812 20 0 EHADMM O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccccc1[O-] ZINC000192856656 1026481017 /nfs/dbraw/zinc/48/10/17/1026481017.db2.gz IAKNNBAZMWMHHC-UHFFFAOYSA-N -1 1 329.249 3.725 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780378081 1026757531 /nfs/dbraw/zinc/75/75/31/1026757531.db2.gz XJGCUPGVOKMDJM-UHFFFAOYSA-N -1 1 327.352 3.824 20 0 EHADMM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1cncc([O-])c1 ZINC000531399985 1026891896 /nfs/dbraw/zinc/89/18/96/1026891896.db2.gz RIFDMKWVWLDFAR-GOSISDBHSA-N -1 1 332.403 3.544 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000277888237 1027624478 /nfs/dbraw/zinc/62/44/78/1027624478.db2.gz FHQFKEIKTLVGLK-HNNXBMFYSA-N -1 1 345.830 3.625 20 0 EHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000131022396 1027728336 /nfs/dbraw/zinc/72/83/36/1027728336.db2.gz KMULFQRNCBDACK-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(C(C)(C)C)no1 ZINC000109714063 1027850241 /nfs/dbraw/zinc/85/02/41/1027850241.db2.gz OKAILXJKSLUMMU-LURJTMIESA-N -1 1 348.350 3.735 20 0 EHADMM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1cccc(Cl)c1 ZINC000031534497 1027982471 /nfs/dbraw/zinc/98/24/71/1027982471.db2.gz BAXULVHIJKWQGJ-UHFFFAOYSA-N -1 1 333.800 3.531 20 0 EHADMM CC[C@H](C)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(F)(F)F ZINC000444545656 1028022637 /nfs/dbraw/zinc/02/26/37/1028022637.db2.gz GUMKMPPIJUHAPQ-JVXZTZIISA-N -1 1 339.741 3.761 20 0 EHADMM CCCc1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000134827818 1028151625 /nfs/dbraw/zinc/15/16/25/1028151625.db2.gz LYUPWDSKKNUYKQ-UHFFFAOYSA-N -1 1 332.360 3.537 20 0 EHADMM CN1CCN(c2cccc(Nc3cc(Cl)cc(C(=O)[O-])c3)c2)CC1 ZINC001211965013 1028268709 /nfs/dbraw/zinc/26/87/09/1028268709.db2.gz JKZHBXDKJXVFMS-UHFFFAOYSA-N -1 1 345.830 3.534 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cnc(C(C)C)s3)[nH][n-]2)c1 ZINC000444788526 1028286793 /nfs/dbraw/zinc/28/67/93/1028286793.db2.gz WFZRDNUHDFJIAS-UHFFFAOYSA-N -1 1 344.415 3.778 20 0 EHADMM CCOc1cc(-c2noc(CC[C@H]3CCCO3)n2)cc(Cl)c1[O-] ZINC000278050562 1028693795 /nfs/dbraw/zinc/69/37/95/1028693795.db2.gz LICQRIHISWRKRJ-LLVKDONJSA-N -1 1 338.791 3.606 20 0 EHADMM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN(C)C[C@H](C)C(=O)[O-] ZINC000840999216 1028718328 /nfs/dbraw/zinc/71/83/28/1028718328.db2.gz PYTBNDOFGMRKER-ZDUSSCGKSA-N -1 1 349.862 3.802 20 0 EHADMM COc1cc(-c2noc(C(C)(C)C)n2)cc(Br)c1[O-] ZINC000445393238 1028759670 /nfs/dbraw/zinc/75/96/70/1028759670.db2.gz PKVZDXDTIZFLGF-UHFFFAOYSA-N -1 1 327.178 3.511 20 0 EHADMM [O-]c1ccc(-c2noc(Cc3c[nH]c4ncccc34)n2)c(Cl)c1 ZINC000445449092 1028783110 /nfs/dbraw/zinc/78/31/10/1028783110.db2.gz SZYULBYQUYTMOE-UHFFFAOYSA-N -1 1 326.743 3.563 20 0 EHADMM Cc1cc(C)n([C@H](C)Cc2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000445444782 1028801667 /nfs/dbraw/zinc/80/16/67/1028801667.db2.gz KDVHKDAASOLSLO-LLVKDONJSA-N -1 1 332.791 3.713 20 0 EHADMM COc1cc(-c2nc(-c3ccc(O)cc3F)no2)cc(Cl)c1[O-] ZINC000445458740 1028825842 /nfs/dbraw/zinc/82/58/42/1028825842.db2.gz YUXIELOMQRCZOF-UHFFFAOYSA-N -1 1 336.706 3.616 20 0 EHADMM [O-]c1ccc(-c2noc(CCCOc3ccc(F)cc3)n2)cc1F ZINC000445477635 1028834675 /nfs/dbraw/zinc/83/46/75/1028834675.db2.gz OFRYAJJPQSRZQX-UHFFFAOYSA-N -1 1 332.306 3.732 20 0 EHADMM [O-]c1ccc(-c2noc([C@H]3Cc4cc(Cl)ccc4O3)n2)cc1F ZINC000445477948 1028836456 /nfs/dbraw/zinc/83/64/56/1028836456.db2.gz FHGXXJWEEYPBSY-CQSZACIVSA-N -1 1 332.718 3.911 20 0 EHADMM [O-]c1ccc(-c2noc(C(F)(F)c3c(F)cccc3F)n2)cc1F ZINC000445482428 1028842515 /nfs/dbraw/zinc/84/25/15/1028842515.db2.gz PPIKKAHRTYWIGW-UHFFFAOYSA-N -1 1 342.223 4.000 20 0 EHADMM C[C@@H]1CCCN(Cc2cc(Br)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000424271453 1028945123 /nfs/dbraw/zinc/94/51/23/1028945123.db2.gz PBGUWMNFGCSZQX-RNCFNFMXSA-N -1 1 346.652 3.788 20 0 EHADMM C[C@H](CC(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1F ZINC000524270682 1029034630 /nfs/dbraw/zinc/03/46/30/1029034630.db2.gz YXLQXJMTFJBCKS-LLVKDONJSA-N -1 1 329.400 3.832 20 0 EHADMM COc1ccc(Cl)cc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000841793297 1029045105 /nfs/dbraw/zinc/04/51/05/1029045105.db2.gz CNWFZRIJIIQYMZ-ZDUSSCGKSA-N -1 1 325.817 3.716 20 0 EHADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1 ZINC000074841345 1029225794 /nfs/dbraw/zinc/22/57/94/1029225794.db2.gz ZFNSFNQKWCCWOP-UHFFFAOYSA-N -1 1 342.420 3.823 20 0 EHADMM CCOc1ccc(F)c([N-]C(=O)c2noc3c2CCCCC3)c1F ZINC000446016367 1029329354 /nfs/dbraw/zinc/32/93/54/1029329354.db2.gz QWSBBGPKPRBQAF-UHFFFAOYSA-N -1 1 336.338 3.873 20 0 EHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000080053610 1029581794 /nfs/dbraw/zinc/58/17/94/1029581794.db2.gz WKQVDWWQGTWAAM-UHFFFAOYSA-N -1 1 325.817 3.596 20 0 EHADMM CCCc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000525020425 1029653554 /nfs/dbraw/zinc/65/35/54/1029653554.db2.gz CYQHIECHVHBHKV-UHFFFAOYSA-N -1 1 329.343 3.857 20 0 EHADMM Cc1ccc(CS(=O)(=O)[N-]c2ccc3ccccc3n2)c(F)c1 ZINC000446828765 1029812271 /nfs/dbraw/zinc/81/22/71/1029812271.db2.gz YWJBUMFVJSDXON-UHFFFAOYSA-N -1 1 330.384 3.624 20 0 EHADMM Cc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058150022 1029925112 /nfs/dbraw/zinc/92/51/12/1029925112.db2.gz UIOGFPNKCMWICL-UHFFFAOYSA-N -1 1 346.452 3.780 20 0 EHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)c1 ZINC000447266309 1030054106 /nfs/dbraw/zinc/05/41/06/1030054106.db2.gz KNOIFKGZLHAMMR-UHFFFAOYSA-N -1 1 349.452 3.729 20 0 EHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1OC(C)C ZINC000447266992 1030055905 /nfs/dbraw/zinc/05/59/05/1030055905.db2.gz NBOQMBZTPUPCTO-UHFFFAOYSA-N -1 1 347.436 3.613 20 0 EHADMM O=S(=O)(CCc1cc(Cl)cc(Cl)c1)c1ccc([O-])cc1 ZINC000447372348 1030144803 /nfs/dbraw/zinc/14/48/03/1030144803.db2.gz JBQLEUGFMRLHEW-UHFFFAOYSA-N -1 1 331.220 3.715 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccco1)Cc1cccnc1 ZINC000121339339 1030258078 /nfs/dbraw/zinc/25/80/78/1030258078.db2.gz PRFGPCNZKWOOQA-UHFFFAOYSA-N -1 1 342.782 3.876 20 0 EHADMM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC001211594440 1030496654 /nfs/dbraw/zinc/49/66/54/1030496654.db2.gz GSOMBXKAUOAQDA-NEPJUHHUSA-N -1 1 348.871 3.757 20 0 EHADMM CCOc1cc(C(=O)Nc2ccc(SC)nc2)cc(Cl)c1[O-] ZINC000545169267 1030566468 /nfs/dbraw/zinc/56/64/68/1030566468.db2.gz FYQCGPYIZPPLDG-UHFFFAOYSA-N -1 1 338.816 3.814 20 0 EHADMM CSc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157583200 1030663412 /nfs/dbraw/zinc/66/34/12/1030663412.db2.gz KYAGFBDKEDQYPU-UHFFFAOYSA-N -1 1 333.356 3.627 20 0 EHADMM CN1CCN(C(=O)c2cc3ccccc3cc2[O-])c2ccccc2C1 ZINC000171480870 1030783315 /nfs/dbraw/zinc/78/33/15/1030783315.db2.gz HRHZGCWKNIEEKP-UHFFFAOYSA-N -1 1 332.403 3.638 20 0 EHADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000172881835 1031016705 /nfs/dbraw/zinc/01/67/05/1031016705.db2.gz UHGKSBTYAJSZOZ-UHFFFAOYSA-N -1 1 332.425 3.569 20 0 EHADMM CC[C@H](C)c1n[nH]c([C@@H](C)N=c2nc(-c3ccccc3C)[n-]s2)n1 ZINC000527977121 1031512964 /nfs/dbraw/zinc/51/29/64/1031512964.db2.gz DAJBIOBLMNPZOK-CMPLNLGQSA-N -1 1 342.472 3.740 20 0 EHADMM CC[C@H](C)c1nc([C@@H](C)N=c2nc(-c3ccccc3C)[n-]s2)n[nH]1 ZINC000527977121 1031512970 /nfs/dbraw/zinc/51/29/70/1031512970.db2.gz DAJBIOBLMNPZOK-CMPLNLGQSA-N -1 1 342.472 3.740 20 0 EHADMM CC[C@H](NCC=Cc1cc(C)c(C)cc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904062210 1031686459 /nfs/dbraw/zinc/68/64/59/1031686459.db2.gz DVFRFSFEQHOMQG-MOEXGYKKSA-N -1 1 327.428 3.787 20 0 EHADMM Cc1[nH]c(=O)c(C(=O)Nc2ccc(F)cc2[O-])cc1-c1ccccc1 ZINC000536212218 1031694123 /nfs/dbraw/zinc/69/41/23/1031694123.db2.gz ARSUULWYSLQHHN-UHFFFAOYSA-N -1 1 338.338 3.860 20 0 EHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)nn1[C@@H](C)C1CC1 ZINC000584151991 1031823158 /nfs/dbraw/zinc/82/31/58/1031823158.db2.gz NKSITNNHHKLRPT-JTQLQIEISA-N -1 1 328.347 3.724 20 0 EHADMM CCc1nocc1C(=O)[N-]c1nnc([C@H](CC)c2ccccc2)s1 ZINC000668403169 1032043467 /nfs/dbraw/zinc/04/34/67/1032043467.db2.gz FYEWROSNELBNLG-GFCCVEGCSA-N -1 1 342.424 3.883 20 0 EHADMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc2cccc(F)c2o1 ZINC000607775462 1033308974 /nfs/dbraw/zinc/30/89/74/1033308974.db2.gz HENXEKVNNSCZQQ-UHFFFAOYSA-N -1 1 329.312 3.936 20 0 EHADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccccc1Cl ZINC000574724844 1033347190 /nfs/dbraw/zinc/34/71/90/1033347190.db2.gz HDHIKMDLYQLAOE-UHFFFAOYSA-N -1 1 345.758 3.504 20 0 EHADMM CC(C)(C)OC(=O)CCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000594544831 1033411450 /nfs/dbraw/zinc/41/14/50/1033411450.db2.gz MMIOXHFOCNFQQU-UHFFFAOYSA-N -1 1 336.363 3.636 20 0 EHADMM CN(CC1CCCCC1)C(=O)c1ccc(Br)cc1[O-] ZINC000044490955 1033496936 /nfs/dbraw/zinc/49/69/36/1033496936.db2.gz VNDLKCAJVCYYOO-UHFFFAOYSA-N -1 1 326.234 3.807 20 0 EHADMM Cc1nc(-c2ccc(NC[C@@H]3CCc4ccccc43)nc2)[n-]c(=O)c1C ZINC000172759145 1033521109 /nfs/dbraw/zinc/52/11/09/1033521109.db2.gz NHBVLXIMWVLNOC-INIZCTEOSA-N -1 1 346.434 3.591 20 0 EHADMM COc1cc(F)c(NC(=O)c2ccc3ccccc3c2[O-])cc1OC ZINC000107163981 1033648086 /nfs/dbraw/zinc/64/80/86/1033648086.db2.gz MHZUWXLOZHFWFR-UHFFFAOYSA-N -1 1 341.338 3.954 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@H]1CCC[C@H](C)C1 ZINC001212177135 1033710730 /nfs/dbraw/zinc/71/07/30/1033710730.db2.gz LFZJUEUODHRAJN-DCAQKATOSA-N -1 1 335.391 3.597 20 0 EHADMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000574952690 1033761804 /nfs/dbraw/zinc/76/18/04/1033761804.db2.gz QOQVISOPYVRFNV-JTQLQIEISA-N -1 1 335.347 3.832 20 0 EHADMM Cc1ccc(C=CS(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)cc1 ZINC000761351770 1034043758 /nfs/dbraw/zinc/04/37/58/1034043758.db2.gz SPGHWIGZBLYJPY-QXMHVHEDSA-N -1 1 339.420 3.798 20 0 EHADMM CC1(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)CCC(F)(F)CC1 ZINC000529493334 1034068400 /nfs/dbraw/zinc/06/84/00/1034068400.db2.gz KMEYOCQODIYXOJ-UHFFFAOYSA-N -1 1 325.384 3.714 20 0 EHADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1C ZINC000119688191 1034228137 /nfs/dbraw/zinc/22/81/37/1034228137.db2.gz WOUMHSQUBHZGIU-UHFFFAOYSA-N -1 1 346.452 3.878 20 0 EHADMM CCOc1cc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000456287439 1034279454 /nfs/dbraw/zinc/27/94/54/1034279454.db2.gz SZYCLZNRFWSSDB-BBRMVZONSA-N -1 1 335.831 3.705 20 0 EHADMM COc1cc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000456305777 1034307546 /nfs/dbraw/zinc/30/75/46/1034307546.db2.gz XHENEQMCFHQBGD-WFASDCNBSA-N -1 1 325.836 3.807 20 0 EHADMM Cc1sc(NC(=O)c2ccc(O)cc2[O-])nc1-c1ccccc1 ZINC000006185312 1034673110 /nfs/dbraw/zinc/67/31/10/1034673110.db2.gz GIDIFHYFUWDIAB-UHFFFAOYSA-N -1 1 326.377 3.782 20 0 EHADMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)nn1C1CCCCC1 ZINC000456763044 1034707669 /nfs/dbraw/zinc/70/76/69/1034707669.db2.gz BEEURURQRXRNCW-UHFFFAOYSA-N -1 1 335.354 3.933 20 0 EHADMM Cc1nc([C@H]2CCCO2)sc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456787603 1034732490 /nfs/dbraw/zinc/73/24/90/1034732490.db2.gz QNTKMYMUBWGPIV-SNVBAGLBSA-N -1 1 340.351 3.539 20 0 EHADMM S=c1[n-]nc(-c2cccs2)n1Cc1nc(C2CCCC2)no1 ZINC000172047391 1034787888 /nfs/dbraw/zinc/78/78/88/1034787888.db2.gz HEORAJKCIMIOPM-UHFFFAOYSA-N -1 1 333.442 3.758 20 0 EHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(N2CCCCCC2)nc1 ZINC000530007467 1034852384 /nfs/dbraw/zinc/85/23/84/1034852384.db2.gz VTVWRJHPCHHLCH-UHFFFAOYSA-N -1 1 329.375 3.559 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1C ZINC000451025850 1035045868 /nfs/dbraw/zinc/04/58/68/1035045868.db2.gz LGSTVHOOOYHSHX-UHFFFAOYSA-N -1 1 329.421 3.876 20 0 EHADMM C[C@@H](c1ccco1)N(C)Cc1cc(Br)ccc1C(=O)[O-] ZINC000570287289 1035174551 /nfs/dbraw/zinc/17/45/51/1035174551.db2.gz YFPFARCPDUKGLP-JTQLQIEISA-N -1 1 338.201 3.933 20 0 EHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000413999861 1035342349 /nfs/dbraw/zinc/34/23/49/1035342349.db2.gz YYXIMGAGXFRTPM-QWHCGFSZSA-N -1 1 333.476 3.733 20 0 EHADMM O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000177753587 1035366083 /nfs/dbraw/zinc/36/60/83/1035366083.db2.gz XSLRXQOAYWAAFX-MDZDMXLPSA-N -1 1 335.404 3.619 20 0 EHADMM C[C@H]1CCCN(Cc2cc(Cl)ccc2OC(F)F)[C@@H]1C(=O)[O-] ZINC000318587725 1035454502 /nfs/dbraw/zinc/45/45/02/1035454502.db2.gz SXJMZBZBFUDAIR-ZANVPECISA-N -1 1 333.762 3.627 20 0 EHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)Cc2ccco2)c1 ZINC000613304190 1035523762 /nfs/dbraw/zinc/52/37/62/1035523762.db2.gz CWEXJCIOJGLAMP-SNVBAGLBSA-N -1 1 338.201 3.873 20 0 EHADMM Cc1ccc(-c2cc(=NC(=O)c3csc(C(C)(C)C)n3)[nH][n-]2)s1 ZINC000588217104 1035826533 /nfs/dbraw/zinc/82/65/33/1035826533.db2.gz MAJBPKAQVQEWBY-UHFFFAOYSA-N -1 1 346.481 3.875 20 0 EHADMM CCOc1cc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000628384497 1036044775 /nfs/dbraw/zinc/04/47/75/1036044775.db2.gz HJEIJNNSXCZUEI-AOOOYVTPSA-N -1 1 347.789 3.808 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000589431268 1036426439 /nfs/dbraw/zinc/42/64/39/1036426439.db2.gz MYIVDWIEXTVHDV-UHFFFAOYSA-N -1 1 344.392 3.515 20 0 EHADMM CCOc1cc(C(=O)Nc2cccc(C(C)=O)c2O)cc(Cl)c1[O-] ZINC000572795597 1036502267 /nfs/dbraw/zinc/50/22/67/1036502267.db2.gz DJHHVVAYZYYYMD-UHFFFAOYSA-N -1 1 349.770 3.605 20 0 EHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](Nc2ccccc2)C1 ZINC000102898655 1036787614 /nfs/dbraw/zinc/78/76/14/1036787614.db2.gz UTCOFOMOAZRXPV-KRWDZBQOSA-N -1 1 332.403 3.872 20 0 EHADMM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(C)(C)c1ccccc1 ZINC000590299612 1036825163 /nfs/dbraw/zinc/82/51/63/1036825163.db2.gz VBZIVXYADGNYQD-LBPRGKRZSA-N -1 1 339.407 3.609 20 0 EHADMM CCN1CCc2ccc([N-]S(=O)(=O)c3cc(C)sc3C)cc21 ZINC000590264637 1036829346 /nfs/dbraw/zinc/82/93/46/1036829346.db2.gz JLQGPRHPULOMEU-UHFFFAOYSA-N -1 1 336.482 3.548 20 0 EHADMM C[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C[C@@H]1C ZINC000648490549 1036964737 /nfs/dbraw/zinc/96/47/37/1036964737.db2.gz LYKQWKSPFDWZQO-RVKKMQEKSA-N -1 1 343.467 3.886 20 0 EHADMM CCSc1ccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000914274861 1037511435 /nfs/dbraw/zinc/51/14/35/1037511435.db2.gz ZPJXJMVLZIKJMR-UHFFFAOYSA-N -1 1 345.468 3.656 20 0 EHADMM CCCC[C@H](CC)CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000462920480 1037559217 /nfs/dbraw/zinc/55/92/17/1037559217.db2.gz RPRBIGRHGPEJLW-HNNXBMFYSA-N -1 1 328.460 3.911 20 0 EHADMM CN1C(=O)CCc2cc(NC(=O)Nc3ccc([O-])c(Cl)c3)ccc21 ZINC000190961899 1038024417 /nfs/dbraw/zinc/02/44/17/1038024417.db2.gz MIJIEXVUWSSDIU-UHFFFAOYSA-N -1 1 345.786 3.599 20 0 EHADMM CCSCc1cc(C(=O)[N-]c2c(OC)cccc2SC)no1 ZINC000416123899 1038195966 /nfs/dbraw/zinc/19/59/66/1038195966.db2.gz SMUKRTPEBGUZPX-UHFFFAOYSA-N -1 1 338.454 3.911 20 0 EHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)c1 ZINC000194288133 1038434731 /nfs/dbraw/zinc/43/47/31/1038434731.db2.gz GQMVVOAYYAUENE-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2cccc(F)c2C)n[nH]c1-c1ccccc1 ZINC000539110277 1038689470 /nfs/dbraw/zinc/68/94/70/1038689470.db2.gz FVWOBTCRRSGINY-UHFFFAOYSA-N -1 1 345.399 3.633 20 0 EHADMM CC[C@@](C)([N-]S(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000552033998 1038750574 /nfs/dbraw/zinc/75/05/74/1038750574.db2.gz FALOWQZHKZXMHV-GFCCVEGCSA-N -1 1 337.388 3.911 20 0 EHADMM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000910244900 1038784809 /nfs/dbraw/zinc/78/48/09/1038784809.db2.gz IJKPLVXSPWNUPF-MEDUHNTESA-N -1 1 349.390 3.566 20 0 EHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC)cc2Cl)[n-]c1=O ZINC000432702052 1038857460 /nfs/dbraw/zinc/85/74/60/1038857460.db2.gz DUOMZDBDNHOCEJ-JXMROGBWSA-N -1 1 348.786 3.581 20 0 EHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000539400871 1038895823 /nfs/dbraw/zinc/89/58/23/1038895823.db2.gz ZHRFOXBROZXBHN-UHFFFAOYSA-N -1 1 325.430 3.965 20 0 EHADMM COc1ccc(N(C(=O)c2ccc(O)cc2[O-])[C@@H](C)C2CC2)cc1 ZINC000195303561 1038898396 /nfs/dbraw/zinc/89/83/96/1038898396.db2.gz CWOBISFFZZJLNV-LBPRGKRZSA-N -1 1 327.380 3.552 20 0 EHADMM CN(CCOCc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000155451888 1038917238 /nfs/dbraw/zinc/91/72/38/1038917238.db2.gz TYMQZPVLOUHAJF-UHFFFAOYSA-N -1 1 335.403 3.834 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898416918 1039006208 /nfs/dbraw/zinc/00/62/08/1039006208.db2.gz HQBPJYGAVLJFKC-GOSISDBHSA-N -1 1 342.826 3.737 20 0 EHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1-n1nccc1C ZINC000488264910 1039022011 /nfs/dbraw/zinc/02/20/11/1039022011.db2.gz PMZXBJRAYYTBPC-UHFFFAOYSA-N -1 1 341.436 3.544 20 0 EHADMM CCc1oc(CN2CCC(Oc3ccccc3)CC2)cc1C(=O)[O-] ZINC000905713156 1039048285 /nfs/dbraw/zinc/04/82/85/1039048285.db2.gz JOXQJNVEFJKOFF-UHFFFAOYSA-N -1 1 329.396 3.584 20 0 EHADMM O=C([O-])c1ccc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)nc1 ZINC000905725483 1039060543 /nfs/dbraw/zinc/06/05/43/1039060543.db2.gz UQBTVXLWSPWNAD-CQSZACIVSA-N -1 1 337.206 3.864 20 0 EHADMM C[C@H](NCc1ccc(C(=O)[O-])cn1)c1cccc(OC(F)(F)F)c1 ZINC000905726008 1039061671 /nfs/dbraw/zinc/06/16/71/1039061671.db2.gz DARAMVHAHNARPU-JTQLQIEISA-N -1 1 340.301 3.529 20 0 EHADMM C[C@@H](CN1CCOc2cc(C(=O)[O-])ccc2C1)c1cc(F)cc(F)c1 ZINC000905804873 1039111002 /nfs/dbraw/zinc/11/10/02/1039111002.db2.gz VGLCXHAJXJDMFW-LBPRGKRZSA-N -1 1 347.361 3.661 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)sc1Cl ZINC000235954223 1039124855 /nfs/dbraw/zinc/12/48/55/1039124855.db2.gz MTDCBQFWNQKIHR-UHFFFAOYSA-N -1 1 337.253 3.868 20 0 EHADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(Cc2ccccc2)CCOCC1 ZINC000910986049 1039179628 /nfs/dbraw/zinc/17/96/28/1039179628.db2.gz FWFYISUTQMRZOW-UHFFFAOYSA-N -1 1 347.361 3.648 20 0 EHADMM O=S(=O)(CCC1CC1)[N-]c1c(-c2cccc(F)c2)n[nH]c1C1CC1 ZINC000906066932 1039277291 /nfs/dbraw/zinc/27/72/91/1039277291.db2.gz HKVCLACBHDBYLU-UHFFFAOYSA-N -1 1 349.431 3.635 20 0 EHADMM Cc1ccc(C)n1C1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000667654979 1039397086 /nfs/dbraw/zinc/39/70/86/1039397086.db2.gz RZMOUDRGTWXXRC-UHFFFAOYSA-N -1 1 349.434 3.836 20 0 EHADMM CC(C)(C)OCc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000554862543 1039827993 /nfs/dbraw/zinc/82/79/93/1039827993.db2.gz LZRGLJJYTPRPTL-UHFFFAOYSA-N -1 1 349.377 3.916 20 0 EHADMM Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188345032 1039927557 /nfs/dbraw/zinc/92/75/57/1039927557.db2.gz JCEIRZXHPVJMDU-UHFFFAOYSA-N -1 1 329.743 3.656 20 0 EHADMM COc1cc(C(=O)Nc2ccc(Cl)cc2OC)cc(Cl)c1[O-] ZINC000785421148 1039981799 /nfs/dbraw/zinc/98/17/99/1039981799.db2.gz LBFQGZQHQSENBB-UHFFFAOYSA-N -1 1 342.178 3.969 20 0 EHADMM CCn1cc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000417557808 1039997536 /nfs/dbraw/zinc/99/75/36/1039997536.db2.gz CSMMUJVXOZUGER-CQSZACIVSA-N -1 1 342.226 3.515 20 0 EHADMM C[C@@H](OC(C)(C)C)[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417590893 1040044551 /nfs/dbraw/zinc/04/45/51/1040044551.db2.gz WRUUPZBZIGWUEI-XCBNKYQSSA-N -1 1 340.272 3.801 20 0 EHADMM Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1cccc(F)c1[O-] ZINC000899140564 1040070642 /nfs/dbraw/zinc/07/06/42/1040070642.db2.gz BAQLRBFSNBRMTI-UHFFFAOYSA-N -1 1 348.321 3.582 20 0 EHADMM CCCn1c(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)nc2ccccc21 ZINC000417631833 1040092251 /nfs/dbraw/zinc/09/22/51/1040092251.db2.gz SDKOYGMEVCAWDC-FUHWJXTLSA-N -1 1 349.434 3.849 20 0 EHADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cc[nH]c3C(C)C)[nH][n-]2)c1 ZINC000553557489 1040176684 /nfs/dbraw/zinc/17/66/84/1040176684.db2.gz WVMFZGLENUQNBA-UHFFFAOYSA-N -1 1 326.375 3.650 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCc2c(O)cccc21 ZINC000584873818 1040177377 /nfs/dbraw/zinc/17/73/77/1040177377.db2.gz WGOUKOLMZGBEAY-INIZCTEOSA-N -1 1 349.390 3.547 20 0 EHADMM C[C@@H]1OCC[C@H]1c1nnc([N-]c2ccccc2OCC(F)(F)F)o1 ZINC000899246448 1040236709 /nfs/dbraw/zinc/23/67/09/1040236709.db2.gz GRPSMWMIJUBOFS-VHSXEESVSA-N -1 1 343.305 3.647 20 0 EHADMM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1c(Cl)cccc1Cl ZINC000486685332 1040351531 /nfs/dbraw/zinc/35/15/31/1040351531.db2.gz UOKQROAWNLNDNY-MRVPVSSYSA-N -1 1 344.210 3.850 20 0 EHADMM CCOc1cc(C(=O)N2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000192958246 1040467244 /nfs/dbraw/zinc/46/72/44/1040467244.db2.gz MCFROOBIWWBQEE-UHFFFAOYSA-N -1 1 331.799 3.643 20 0 EHADMM CCC[C@@H]1C[C@@H](C(=O)Nc2cccc([O-])c2Br)CCO1 ZINC000908710478 1040605539 /nfs/dbraw/zinc/60/55/39/1040605539.db2.gz RFLGMQVQZCXOBN-WDEREUQCSA-N -1 1 342.233 3.689 20 0 EHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000364298238 1040719965 /nfs/dbraw/zinc/71/99/65/1040719965.db2.gz FWLQVHAIRDWSPZ-HOTGVXAUSA-N -1 1 339.435 3.824 20 0 EHADMM COc1ccc2c(c1)[C@H](C(=O)Nc1cc([O-])c(F)cc1F)CCC2 ZINC000909988668 1041123851 /nfs/dbraw/zinc/12/38/51/1041123851.db2.gz VEQKPYBVYROYLU-GFCCVEGCSA-N -1 1 333.334 3.738 20 0 EHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628651072 1042323195 /nfs/dbraw/zinc/32/31/95/1042323195.db2.gz IDCNDKQKZXFNDV-MNOVXSKESA-N -1 1 331.359 3.521 20 0 EHADMM Cc1cscc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000487366336 1042385736 /nfs/dbraw/zinc/38/57/36/1042385736.db2.gz ONLVONLQXPNBIJ-UHFFFAOYSA-N -1 1 342.294 3.903 20 0 EHADMM CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000511938201 1042459359 /nfs/dbraw/zinc/45/93/59/1042459359.db2.gz LVLRJXIWXAKXTC-UHFFFAOYSA-N -1 1 330.664 3.971 20 0 EHADMM O=C([O-])c1cc(F)ccc1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434860 1042474690 /nfs/dbraw/zinc/47/46/90/1042474690.db2.gz GMCJAHSMLORGAM-AWEZNQCLSA-N -1 1 349.789 3.831 20 0 EHADMM CCc1ccc([C@H]([N-]S(=O)(=O)c2c(C)noc2C)C(C)C)cc1 ZINC000008059911 1042626765 /nfs/dbraw/zinc/62/67/65/1042626765.db2.gz WZASMXXOOKCYKB-MRXNPFEDSA-N -1 1 336.457 3.529 20 0 EHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cn(-c2ccccc2Cl)nn1 ZINC000111667014 1042994097 /nfs/dbraw/zinc/99/40/97/1042994097.db2.gz HEOILNMQHDYWJG-UHFFFAOYSA-N -1 1 349.177 3.532 20 0 EHADMM O=S(=O)([N-]c1ccc(-c2cncnc2)cc1)c1ccc(Cl)cc1 ZINC000344371633 1043792512 /nfs/dbraw/zinc/79/25/12/1043792512.db2.gz ZEWUQVYCCIUBKS-UHFFFAOYSA-N -1 1 345.811 3.598 20 0 EHADMM Cc1cc(Br)c(F)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000187349784 1043948457 /nfs/dbraw/zinc/94/84/57/1043948457.db2.gz IKAIEBMBZZHNMD-UHFFFAOYSA-N -1 1 340.148 3.560 20 0 EHADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)C1CCCCCC1 ZINC000432554642 1044205554 /nfs/dbraw/zinc/20/55/54/1044205554.db2.gz LHXYMVADIATFQL-UHFFFAOYSA-N -1 1 334.363 3.833 20 0 EHADMM CCCn1c(CN[C@@H](CC(=O)[O-])c2cccs2)nc2ccccc21 ZINC000324567390 1044463718 /nfs/dbraw/zinc/46/37/18/1044463718.db2.gz RVKACTCNQXVJJM-AWEZNQCLSA-N -1 1 343.452 3.813 20 0 EHADMM CC[C@H](C)c1ccc(C(=O)CSc2nc(C(=O)OC)c[n-]2)cc1 ZINC000432656409 1044622356 /nfs/dbraw/zinc/62/23/56/1044622356.db2.gz LWJPQKNENWCEJE-NSHDSACASA-N -1 1 332.425 3.685 20 0 EHADMM O=C(c1ccc([O-])cc1F)N1CCC2(CCc3ccccc3O2)CC1 ZINC000620234004 1125523814 /nfs/dbraw/zinc/52/38/14/1125523814.db2.gz PUBVBIDROVPDFW-UHFFFAOYSA-N -1 1 341.382 3.531 20 0 EHADMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)nc2C)cc1 ZINC000183496289 1125581359 /nfs/dbraw/zinc/58/13/59/1125581359.db2.gz 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/nfs/dbraw/zinc/11/28/64/1127112864.db2.gz FXNIQHSZECZHNL-UHFFFAOYSA-N -1 1 335.772 3.783 20 0 EHADMM CC(C)(C)c1nc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cs1 ZINC000623777112 1127164160 /nfs/dbraw/zinc/16/41/60/1127164160.db2.gz PMOFWNVNVFTCIX-UHFFFAOYSA-N -1 1 328.441 3.944 20 0 EHADMM O=C(c1ccc(Br)c([O-])c1)N1CC=C(c2ccccc2)C1 ZINC000354997236 1127250377 /nfs/dbraw/zinc/25/03/77/1127250377.db2.gz QZLYDFLMCWCJHF-UHFFFAOYSA-N -1 1 344.208 3.694 20 0 EHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000181199177 1127269572 /nfs/dbraw/zinc/26/95/72/1127269572.db2.gz ZHYPGKRNWGSWTA-UHFFFAOYSA-N -1 1 344.219 3.997 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1 ZINC000193057363 1127432742 /nfs/dbraw/zinc/43/27/42/1127432742.db2.gz DWIIRLMSIZUYAG-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3cnccc32)c(C)c1 ZINC000194105954 1127451816 /nfs/dbraw/zinc/45/18/16/1127451816.db2.gz NACPDXPVVQSAGQ-UHFFFAOYSA-N -1 1 326.421 3.961 20 0 EHADMM CC(C)c1ocnc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000764542271 1127504384 /nfs/dbraw/zinc/50/43/84/1127504384.db2.gz WJSBZHUQBITLOT-AATRIKPKSA-N -1 1 330.369 3.665 20 0 EHADMM O=C(OCc1nc(Cl)ccc1Cl)c1c([O-])cc(F)cc1F ZINC000765462236 1127614317 /nfs/dbraw/zinc/61/43/17/1127614317.db2.gz SQTBVPYVBJBJLS-UHFFFAOYSA-N -1 1 334.105 3.729 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1Cl ZINC000032589121 1127853967 /nfs/dbraw/zinc/85/39/67/1127853967.db2.gz KNRHMKWKBLYHRB-UHFFFAOYSA-N -1 1 343.857 3.871 20 0 EHADMM O=C(CCC1CCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042061410 1127885518 /nfs/dbraw/zinc/88/55/18/1127885518.db2.gz YDIXCQNBIWLBCS-UHFFFAOYSA-N -1 1 329.440 3.784 20 0 EHADMM Cc1ccc(NC(=O)C2CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611897 1127983651 /nfs/dbraw/zinc/98/36/51/1127983651.db2.gz OOBVGCJGVFRWEI-UHFFFAOYSA-N -1 1 344.436 3.534 20 0 EHADMM C[C@H]1CCC[C@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000047034584 1127999145 /nfs/dbraw/zinc/99/91/45/1127999145.db2.gz GELDQORZIZICPP-YOEHRIQHSA-N -1 1 344.455 3.575 20 0 EHADMM Cc1ncoc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000347544239 1128064598 /nfs/dbraw/zinc/06/45/98/1128064598.db2.gz ZIELIKGJUOOUNJ-UHFFFAOYSA-N -1 1 326.337 3.500 20 0 EHADMM CCCNC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000060644835 1128111610 /nfs/dbraw/zinc/11/16/10/1128111610.db2.gz IXOIWXMNDOEIKW-UHFFFAOYSA-N -1 1 348.402 3.938 20 0 EHADMM CCC(CC)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000061044955 1128118757 /nfs/dbraw/zinc/11/87/57/1128118757.db2.gz YYRIVPVNOKJCTP-UHFFFAOYSA-N -1 1 332.473 3.611 20 0 EHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000064475803 1128168824 /nfs/dbraw/zinc/16/88/24/1128168824.db2.gz XLCUHLNZZHYLCR-UHFFFAOYSA-N -1 1 337.466 3.998 20 0 EHADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCS1 ZINC000921714530 1128661253 /nfs/dbraw/zinc/66/12/53/1128661253.db2.gz BGBGMXBKOPXEHD-BQBZGAKWSA-N -1 1 346.326 3.617 20 0 EHADMM C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC2(CCCCC2)O1 ZINC000656192488 1128804942 /nfs/dbraw/zinc/80/49/42/1128804942.db2.gz WSXJNJPPERAKJA-XJKSGUPXSA-N -1 1 337.847 3.889 20 0 EHADMM COc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(Cl)c2)cc1C ZINC001687491083 1128837026 /nfs/dbraw/zinc/83/70/26/1128837026.db2.gz VNANRUNKDIFWBA-LBPRGKRZSA-N -1 1 348.830 3.923 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)s1 ZINC000075789601 1128881310 /nfs/dbraw/zinc/88/13/10/1128881310.db2.gz ZQXZYWHBDWUYKZ-GFCCVEGCSA-N -1 1 335.372 3.638 20 0 EHADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1ccc(Br)c([O-])c1 ZINC001648846694 1120053496 /nfs/dbraw/zinc/05/34/96/1120053496.db2.gz GQNRANJNTQYFMD-OLZOCXBDSA-N -1 1 338.245 3.711 20 0 EHADMM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ccc(F)c([O-])c1 ZINC001648852850 1120055482 /nfs/dbraw/zinc/05/54/82/1120055482.db2.gz LXWALMGWNAKWJW-NSHDSACASA-N -1 1 348.443 3.775 20 0 EHADMM CCc1ccc2c(c1)CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C2 ZINC001648930890 1120237707 /nfs/dbraw/zinc/23/77/07/1120237707.db2.gz AQJYCHOZFGZBMC-UHFFFAOYSA-N -1 1 329.827 3.735 20 0 EHADMM CCN1CC[C@H]1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001648994629 1120338574 /nfs/dbraw/zinc/33/85/74/1120338574.db2.gz XVOUEKKNWCTJSM-HNNXBMFYSA-N -1 1 344.842 3.537 20 0 EHADMM O=C(C[C@@H]1CCc2sccc2C1=O)NCc1ccc([O-])c(Cl)c1 ZINC000899192359 1120346819 /nfs/dbraw/zinc/34/68/19/1120346819.db2.gz IRTDNCKMORDOJB-NSHDSACASA-N -1 1 349.839 3.559 20 0 EHADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000190405551 1120637383 /nfs/dbraw/zinc/63/73/83/1120637383.db2.gz OKYNYLNJORQUON-UHFFFAOYSA-N -1 1 347.827 3.635 20 0 EHADMM COc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1F ZINC000190762592 1120649104 /nfs/dbraw/zinc/64/91/04/1120649104.db2.gz GOURWNDDEUPYCU-UHFFFAOYSA-N -1 1 331.315 3.573 20 0 EHADMM O=C(C=Cc1cccs1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000761745590 1120866023 /nfs/dbraw/zinc/86/60/23/1120866023.db2.gz LPXACEXHEXTDAH-FPLPWBNLSA-N -1 1 341.432 3.588 20 0 EHADMM COc1ccc([C@H]2CCCCCN2C(=O)c2ncccc2[O-])cc1 ZINC000153513513 1120916291 /nfs/dbraw/zinc/91/62/91/1120916291.db2.gz BKJKDRJTVULRPF-MRXNPFEDSA-N -1 1 326.396 3.553 20 0 EHADMM CC[C@@H](C)CN(CC)C(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000176617886 1121360155 /nfs/dbraw/zinc/36/01/55/1121360155.db2.gz VHMIWMDLEJXBCG-LLVKDONJSA-N -1 1 338.502 3.564 20 0 EHADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc2ccccc2c1[O-] ZINC000762681145 1121409435 /nfs/dbraw/zinc/40/94/35/1121409435.db2.gz QADLDVNJOYZFLW-INMHGKMJSA-N -1 1 345.489 3.655 20 0 EHADMM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000829122625 1121518667 /nfs/dbraw/zinc/51/86/67/1121518667.db2.gz FDQBIPGWHIOSHB-QMMMGPOBSA-N -1 1 340.308 3.614 20 0 EHADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000322385465 1121645520 /nfs/dbraw/zinc/64/55/20/1121645520.db2.gz IDNMEMGRSQAJIM-LLVKDONJSA-N -1 1 333.325 3.921 20 0 EHADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(C)c1 ZINC000074849380 1121712628 /nfs/dbraw/zinc/71/26/28/1121712628.db2.gz PJNMGMOZBMRDHI-UHFFFAOYSA-N -1 1 330.409 3.594 20 0 EHADMM COc1cc2c(cc1OC)CN(Cc1cccc([O-])c1Cl)CC2 ZINC000328313028 1122188627 /nfs/dbraw/zinc/18/86/27/1122188627.db2.gz AWUXSAVRTPSPJI-UHFFFAOYSA-N -1 1 333.815 3.621 20 0 EHADMM O=C(c1ncccc1[O-])N(CCc1ccc(F)cc1)C1CCCC1 ZINC000124174236 1122276990 /nfs/dbraw/zinc/27/69/90/1122276990.db2.gz CXDFORLVFZTQJQ-UHFFFAOYSA-N -1 1 328.387 3.554 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1 ZINC000064938364 1122343566 /nfs/dbraw/zinc/34/35/66/1122343566.db2.gz JXLNQAHDBJIBLK-UHFFFAOYSA-N -1 1 331.437 3.722 20 0 EHADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3C)c2)n1 ZINC000126808916 1122437312 /nfs/dbraw/zinc/43/73/12/1122437312.db2.gz ASDWKJFBCZOFKJ-UHFFFAOYSA-N -1 1 346.383 3.898 20 0 EHADMM CN(CCCc1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000066046155 1122453917 /nfs/dbraw/zinc/45/39/17/1122453917.db2.gz CTPUGVZPWZLVGR-UHFFFAOYSA-N -1 1 348.240 3.860 20 0 EHADMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1OCC(F)(F)F ZINC000068078403 1122588563 /nfs/dbraw/zinc/58/85/63/1122588563.db2.gz YRMACSDJNVKGIH-UHFFFAOYSA-N -1 1 345.342 3.737 20 0 EHADMM [O-]c1cccnc1-c1nc(-c2ccc(C(F)(F)F)cc2F)no1 ZINC001212480886 1129087359 /nfs/dbraw/zinc/08/73/59/1129087359.db2.gz OHMANCHZRXTTAX-UHFFFAOYSA-N -1 1 325.221 3.662 20 0 EHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)cc1 ZINC000074985873 1123353398 /nfs/dbraw/zinc/35/33/98/1123353398.db2.gz AZMOFAPXKZSXHG-UHFFFAOYSA-N -1 1 341.436 3.560 20 0 EHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H](c2ccccc2)O1 ZINC000920465360 1123372628 /nfs/dbraw/zinc/37/26/28/1123372628.db2.gz WYWDMPCDBGKCQX-WBMJQRKESA-N -1 1 331.799 3.648 20 0 EHADMM CN(CCOc1cccc(Cl)c1)C(=O)c1c([O-])cccc1Cl ZINC000920432425 1123372961 /nfs/dbraw/zinc/37/29/61/1123372961.db2.gz KTOLEDKPKROYLG-UHFFFAOYSA-N -1 1 340.206 3.850 20 0 EHADMM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1F)c1cc2ccccc2o1 ZINC000134207210 1123500716 /nfs/dbraw/zinc/50/07/16/1123500716.db2.gz QYFGZYLSJJGNBJ-FZMZJTMJSA-N -1 1 349.358 3.545 20 0 EHADMM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000564331833 1123593286 /nfs/dbraw/zinc/59/32/86/1123593286.db2.gz YTWRFANDGMEQJV-UHFFFAOYSA-N -1 1 345.267 3.928 20 0 EHADMM CCCCc1nc(CSCCC[N-]C(=O)C(F)(F)F)cs1 ZINC000180783023 1124076364 /nfs/dbraw/zinc/07/63/64/1124076364.db2.gz SOASQNVHQRMQLT-UHFFFAOYSA-N -1 1 340.436 3.788 20 0 EHADMM C[C@@H]1c2ccsc2CCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735295336 1131328561 /nfs/dbraw/zinc/32/85/61/1131328561.db2.gz TWFXMSDRSHLWTL-LLVKDONJSA-N -1 1 343.481 3.641 20 0 EHADMM CC[C@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000153152158 1125445482 /nfs/dbraw/zinc/44/54/82/1125445482.db2.gz QZROWBOGNXGMNC-LBPRGKRZSA-N -1 1 334.416 3.611 20 0 EHADMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2)o1 ZINC000066814710 1129213625 /nfs/dbraw/zinc/21/36/25/1129213625.db2.gz SVMUZZCUQPNQEL-UHFFFAOYSA-N -1 1 328.393 3.759 20 0 EHADMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)COC2 ZINC000068074878 1129339325 /nfs/dbraw/zinc/33/93/25/1129339325.db2.gz CUIKFEADYAGICI-UHFFFAOYSA-N -1 1 344.219 3.824 20 0 EHADMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000466470028 1129477084 /nfs/dbraw/zinc/47/70/84/1129477084.db2.gz YPABHJZUSOFQHW-UHFFFAOYSA-N -1 1 347.436 3.706 20 0 EHADMM Cc1cc(N2CCC[C@H](CCC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000392590000 1129718810 /nfs/dbraw/zinc/71/88/10/1129718810.db2.gz AENORQHSUXQNIV-CYBMUJFWSA-N -1 1 343.383 3.533 20 0 EHADMM COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000509099729 1129745173 /nfs/dbraw/zinc/74/51/73/1129745173.db2.gz OSOZYXXWJFHNHN-UHFFFAOYSA-N -1 1 345.342 3.823 20 0 EHADMM O=S(=O)([N-][C@H](CCc1ccccc1)C(F)F)C1CCCCC1 ZINC000625422957 1129869804 /nfs/dbraw/zinc/86/98/04/1129869804.db2.gz KLQGNPSRWCWKRE-OAHLLOKOSA-N -1 1 331.428 3.505 20 0 EHADMM COc1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c(C)c1 ZINC000673981890 1129931124 /nfs/dbraw/zinc/93/11/24/1129931124.db2.gz OOFMXBPWGCDYTH-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)c1 ZINC000674646402 1130160855 /nfs/dbraw/zinc/16/08/55/1130160855.db2.gz ASXQOAIDHMUBDW-UHFFFAOYSA-N -1 1 349.452 3.811 20 0 EHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(F)(F)c1ccccc1F ZINC000766129845 1130370352 /nfs/dbraw/zinc/37/03/52/1130370352.db2.gz SYDFBMSHEOGCBG-UHFFFAOYSA-N -1 1 347.296 3.652 20 0 EHADMM CC(C)Cc1noc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000730358440 1130703338 /nfs/dbraw/zinc/70/33/38/1130703338.db2.gz AUGCAJLBMROOIY-UHFFFAOYSA-N -1 1 345.182 3.638 20 0 EHADMM CCCCc1noc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000730361505 1130703840 /nfs/dbraw/zinc/70/38/40/1130703840.db2.gz CZAAGHQPFFEDTC-UHFFFAOYSA-N -1 1 345.182 3.782 20 0 EHADMM O=C(OCc1csc(-c2ccoc2)n1)c1c([O-])cc(F)cc1F ZINC000731078900 1130764571 /nfs/dbraw/zinc/76/45/71/1130764571.db2.gz SRJKOCPANPKVCT-UHFFFAOYSA-N -1 1 337.303 3.744 20 0 EHADMM Cc1nn(C)c(Cl)c1COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000731724753 1130838810 /nfs/dbraw/zinc/83/88/10/1130838810.db2.gz OVYVIKNJANWBKQ-UHFFFAOYSA-N -1 1 349.601 3.751 20 0 EHADMM O=C(NC1CC(OCc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000716168545 1131123805 /nfs/dbraw/zinc/12/38/05/1131123805.db2.gz PJZRRRHEBRBFTF-UHFFFAOYSA-N -1 1 331.799 3.523 20 0 EHADMM O=C(NCc1ccccc1OC(F)F)c1c([O-])cccc1Cl ZINC000144566326 1131167484 /nfs/dbraw/zinc/16/74/84/1131167484.db2.gz JLJPWCNJFPUNLV-UHFFFAOYSA-N -1 1 327.714 3.577 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2CCCC2)c([O-])c1 ZINC000740922637 1131558436 /nfs/dbraw/zinc/55/84/36/1131558436.db2.gz QCXUKUPZTLCWJV-UHFFFAOYSA-N -1 1 334.416 3.659 20 0 EHADMM [O-]c1cc(Cl)c(Nc2ccc(CN3CC(O)C3)cc2)cc1Cl ZINC001212669143 1131768865 /nfs/dbraw/zinc/76/88/65/1131768865.db2.gz JBRAFAQVQLWGAH-UHFFFAOYSA-N -1 1 339.222 3.619 20 0 EHADMM Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c(F)c1F ZINC001212689599 1131899181 /nfs/dbraw/zinc/89/91/81/1131899181.db2.gz KMTOUJHGGMMYNC-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c(F)c1F ZINC001212689599 1131899187 /nfs/dbraw/zinc/89/91/87/1131899187.db2.gz KMTOUJHGGMMYNC-UHFFFAOYSA-N -1 1 330.216 3.732 20 0 EHADMM Cc1ncc(Cl)cc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212689951 1131901161 /nfs/dbraw/zinc/90/11/61/1131901161.db2.gz VEZBJGQZRPAPHQ-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Cc1ncc(Cl)cc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212689951 1131901168 /nfs/dbraw/zinc/90/11/68/1131901168.db2.gz VEZBJGQZRPAPHQ-UHFFFAOYSA-N -1 1 329.669 3.502 20 0 EHADMM Fc1cccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1Cl ZINC001212689916 1131901244 /nfs/dbraw/zinc/90/12/44/1131901244.db2.gz SVMASSFRNOJQHT-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM Fc1cccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1Cl ZINC001212689916 1131901247 /nfs/dbraw/zinc/90/12/47/1131901247.db2.gz SVMASSFRNOJQHT-UHFFFAOYSA-N -1 1 332.644 3.938 20 0 EHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCc2cccs2)c1 ZINC000744551699 1132121498 /nfs/dbraw/zinc/12/14/98/1132121498.db2.gz GTJQYJNVFZOFHM-UHFFFAOYSA-N -1 1 332.421 3.765 20 0 EHADMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1cccc(C)c1C ZINC001173953343 1132194030 /nfs/dbraw/zinc/19/40/30/1132194030.db2.gz IMHRRGCMXXMFRX-UHFFFAOYSA-N -1 1 329.425 3.665 20 0 EHADMM CSCCCCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000766540935 1132612773 /nfs/dbraw/zinc/61/27/73/1132612773.db2.gz VAOJLDPWUNZJED-UHFFFAOYSA-N -1 1 339.885 3.681 20 0 EHADMM Nc1ncc(Nc2c(Cl)ccc([O-])c2Cl)c(C(F)(F)F)n1 ZINC001175680604 1132737806 /nfs/dbraw/zinc/73/78/06/1132737806.db2.gz YCPZRMKHGVONHH-UHFFFAOYSA-N -1 1 339.104 3.834 20 0 EHADMM Cc1cc2c(cc1C)N(C(=O)c1cc(Br)ccc1[O-])CC2 ZINC000804321424 1132754920 /nfs/dbraw/zinc/75/49/20/1132754920.db2.gz SODFAWPNTSBPTQ-UHFFFAOYSA-N -1 1 346.224 3.974 20 0 EHADMM [O-]c1cc(Nc2nc3cccc(C(F)(F)F)n3n2)ccc1Cl ZINC001212591378 1132786209 /nfs/dbraw/zinc/78/62/09/1132786209.db2.gz JDKHVVRSIKVKSH-UHFFFAOYSA-N -1 1 328.681 3.851 20 0 EHADMM Nc1ccc(Br)c2cnn(-c3ccc(Cl)c([O-])c3)c21 ZINC001212593490 1132810308 /nfs/dbraw/zinc/81/03/08/1132810308.db2.gz UITDBYAQDDXGFN-UHFFFAOYSA-N -1 1 338.592 3.729 20 0 EHADMM Cc1ccc(-c2cnc(COC(=O)c3ccc([O-])cc3F)o2)cc1 ZINC000773568197 1132901515 /nfs/dbraw/zinc/90/15/15/1132901515.db2.gz OUINUWVQKGJHSQ-UHFFFAOYSA-N -1 1 327.311 3.852 20 0 EHADMM O=C(OCc1ccc(Br)s1)c1ccc([O-])cc1F ZINC000773568250 1132913971 /nfs/dbraw/zinc/91/39/71/1132913971.db2.gz FNAIDPVXQCDDJK-UHFFFAOYSA-N -1 1 331.162 3.712 20 0 EHADMM CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773570750 1132921675 /nfs/dbraw/zinc/92/16/75/1132921675.db2.gz AQQPVTKDPWLCEY-UHFFFAOYSA-N -1 1 345.370 3.624 20 0 EHADMM CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773568961 1132921828 /nfs/dbraw/zinc/92/18/28/1132921828.db2.gz SIJPBXYVVBNBLO-GFCCVEGCSA-N -1 1 345.370 3.840 20 0 EHADMM O=C(OCc1cc(-c2ccc(F)cc2)no1)c1ccc([O-])cc1F ZINC000773581175 1132948183 /nfs/dbraw/zinc/94/81/83/1132948183.db2.gz KRAVCXDMLKFSJH-UHFFFAOYSA-N -1 1 331.274 3.682 20 0 EHADMM CCCCCCc1ccc([N-]S(=O)(=O)c2cc(N)ccc2N)cc1 ZINC001176528225 1132958084 /nfs/dbraw/zinc/95/80/84/1132958084.db2.gz NAELJPSFSYJIOT-UHFFFAOYSA-N -1 1 347.484 3.775 20 0 EHADMM [O-]c1c(F)cc(F)c(Nc2c(F)cccc2N2CCOCC2)c1F ZINC001176673106 1132979958 /nfs/dbraw/zinc/97/99/58/1132979958.db2.gz DVDDVGPBKNDIMG-UHFFFAOYSA-N -1 1 342.292 3.529 20 0 EHADMM O=C1c2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2CN1C1CC1 ZINC001176674186 1132980634 /nfs/dbraw/zinc/98/06/34/1132980634.db2.gz RSVKKFXOKCSBAO-UHFFFAOYSA-N -1 1 334.297 3.671 20 0 EHADMM O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1cc(F)ccc1[O-] ZINC001177101606 1133031000 /nfs/dbraw/zinc/03/10/00/1133031000.db2.gz POLJEMYBYCBFCU-UHFFFAOYSA-N -1 1 348.683 3.529 20 0 EHADMM CN(C)C(=O)Sc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767941796 1133073029 /nfs/dbraw/zinc/07/30/29/1133073029.db2.gz BZFLQMYXBAVNDV-UHFFFAOYSA-N -1 1 334.372 3.557 20 0 EHADMM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1ccc(F)cc1[O-] ZINC000768257633 1133118498 /nfs/dbraw/zinc/11/84/98/1133118498.db2.gz HHNAIRXEHCAYFS-UHFFFAOYSA-N -1 1 340.395 3.553 20 0 EHADMM Cc1ccc(Cc2nc(C(=O)[N-]c3nc(C4CC4)no3)cs2)cc1 ZINC000768400855 1133132311 /nfs/dbraw/zinc/13/23/11/1133132311.db2.gz LPUYXFICKBGUGG-UHFFFAOYSA-N -1 1 340.408 3.555 20 0 EHADMM Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000768451179 1133140685 /nfs/dbraw/zinc/14/06/85/1133140685.db2.gz RZRGSZYJORFKTH-QGZVFWFLSA-N -1 1 342.414 3.581 20 0 EHADMM CCOc1cccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)n1 ZINC000768862564 1133199379 /nfs/dbraw/zinc/19/93/79/1133199379.db2.gz MKGCTNABZHVUAN-KTKRTIGZSA-N -1 1 338.816 3.546 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC000769634831 1133319688 /nfs/dbraw/zinc/31/96/88/1133319688.db2.gz VDGHNOXTQBMMOW-CABCVRRESA-N -1 1 333.476 3.949 20 0 EHADMM COc1cccc([O-])c1C(=O)Nc1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC001180110011 1133332027 /nfs/dbraw/zinc/33/20/27/1133332027.db2.gz KIOLUXAGNGOPBN-NSHDSACASA-N -1 1 346.452 3.871 20 0 EHADMM COCCN(C(=O)c1c([O-])cccc1Cl)[C@@H](C)c1ccccc1 ZINC000769739319 1133341160 /nfs/dbraw/zinc/34/11/60/1133341160.db2.gz ZATNAJCFKXXZIS-ZDUSSCGKSA-N -1 1 333.815 3.895 20 0 EHADMM CCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 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EHADMM [O-]c1cc(Br)cnc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001182771558 1133731802 /nfs/dbraw/zinc/73/18/02/1133731802.db2.gz ABHFZKMMLPPAEV-CYBMUJFWSA-N -1 1 339.277 3.952 20 0 EHADMM O=C(Nc1c[n-][nH]c1=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001183562163 1133824083 /nfs/dbraw/zinc/82/40/83/1133824083.db2.gz HWNWCDGEFJSYGA-HNNXBMFYSA-N -1 1 327.771 3.539 20 0 EHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1CC12CCC(F)(F)CC2 ZINC001183595226 1133832257 /nfs/dbraw/zinc/83/22/57/1133832257.db2.gz FBQQNQOPUKUOKJ-CQSZACIVSA-N -1 1 347.365 3.732 20 0 EHADMM Cc1c(Cl)cccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000787903395 1134053550 /nfs/dbraw/zinc/05/35/50/1134053550.db2.gz MPJJKQHYLWROMA-UHFFFAOYSA-N -1 1 341.592 3.764 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)O)cc2)ccc1Cl ZINC001185524564 1134102959 /nfs/dbraw/zinc/10/29/59/1134102959.db2.gz JSBMKIQZQWNJKC-LLVKDONJSA-N -1 1 325.817 3.503 20 0 EHADMM Cc1noc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)cc12 ZINC001185530269 1134104488 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O=C(Nc1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1[O-] ZINC001187873297 1134396776 /nfs/dbraw/zinc/39/67/76/1134396776.db2.gz QRZSHEFBDALXDS-UHFFFAOYSA-N -1 1 340.257 3.784 20 0 EHADMM O=C(OCCCC1CCOCC1)c1ccc(Br)c([O-])c1 ZINC000790657435 1134452404 /nfs/dbraw/zinc/45/24/04/1134452404.db2.gz GNFXKDDNUPCLRQ-UHFFFAOYSA-N -1 1 343.217 3.518 20 0 EHADMM CC(C)c1cccnc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000775169201 1134474243 /nfs/dbraw/zinc/47/42/43/1134474243.db2.gz FYFJUHQLECBVDL-UHFFFAOYSA-N -1 1 344.436 3.770 20 0 EHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ccc(O)cc3c2)c1 ZINC001189229621 1134554530 /nfs/dbraw/zinc/55/45/30/1134554530.db2.gz QUBUANGCLCQIHB-UHFFFAOYSA-N -1 1 341.388 3.549 20 0 EHADMM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cc2cc(F)ccc2o1 ZINC001189247096 1134557052 /nfs/dbraw/zinc/55/70/52/1134557052.db2.gz YCWRJVODWPETMG-UHFFFAOYSA-N -1 1 344.367 3.532 20 0 EHADMM CC(C)(C)C1CCN(C(=O)c2cnc(-c3ccccc3)[n-]c2=O)CC1 ZINC001190257919 1134673560 /nfs/dbraw/zinc/67/35/60/1134673560.db2.gz MDHHHZHYXBLQPG-UHFFFAOYSA-N -1 1 339.439 3.748 20 0 EHADMM CCC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1cccs1 ZINC001190404092 1134691505 /nfs/dbraw/zinc/69/15/05/1134691505.db2.gz OVPIMZPRIVIWDA-NSHDSACASA-N -1 1 349.399 3.985 20 0 EHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn3nccc3c2)cc1 ZINC001190432811 1134699757 /nfs/dbraw/zinc/69/97/57/1134699757.db2.gz ZBLIEBKKFKIVDP-UHFFFAOYSA-N -1 1 343.452 3.823 20 0 EHADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc(C2CC2)cc1 ZINC001190500741 1134706891 /nfs/dbraw/zinc/70/68/91/1134706891.db2.gz YILKOCMUNGMJOJ-UHFFFAOYSA-N -1 1 339.363 3.966 20 0 EHADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191511714 1134878064 /nfs/dbraw/zinc/87/80/64/1134878064.db2.gz ZUQVVMUJGKXQAW-QZTJIDSGSA-N -1 1 341.382 3.634 20 0 EHADMM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cnccc3F)cc2)cc1 ZINC001192065264 1134963842 /nfs/dbraw/zinc/96/38/42/1134963842.db2.gz IJVUVLFHBUUCJX-UHFFFAOYSA-N -1 1 342.395 3.997 20 0 EHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1cc(Cl)ncc1[O-] ZINC001192147933 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EHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cnccc2Cl)c(Cl)c1 ZINC001192893641 1135069475 /nfs/dbraw/zinc/06/94/75/1135069475.db2.gz BJBPEYWAXQTQDG-UHFFFAOYSA-N -1 1 331.224 3.806 20 0 EHADMM C[C@H](CCCc1ccccc1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759233 1135152111 /nfs/dbraw/zinc/15/21/11/1135152111.db2.gz LMBVPNYKLJRKPV-CQSZACIVSA-N -1 1 339.439 3.659 20 0 EHADMM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCC2(F)F)sc1Cl ZINC001194110122 1135227264 /nfs/dbraw/zinc/22/72/64/1135227264.db2.gz QUXWQIOCRMKSED-SECBINFHSA-N -1 1 343.848 3.814 20 0 EHADMM O=S(=O)([N-]c1ccccc1CO)c1ccc(-c2cccs2)cc1 ZINC001194162176 1135235904 /nfs/dbraw/zinc/23/59/04/1135235904.db2.gz JLWCZEYOKYEYPK-UHFFFAOYSA-N -1 1 345.445 3.708 20 0 EHADMM O=S(=O)([N-]c1cccnc1F)c1ccc(-c2cccs2)cc1 ZINC001194141964 1135239760 /nfs/dbraw/zinc/23/97/60/1135239760.db2.gz LUCXDAFPUAAFFM-UHFFFAOYSA-N -1 1 334.397 3.750 20 0 EHADMM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586360 1135288708 /nfs/dbraw/zinc/28/87/08/1135288708.db2.gz HUSDWKZWACKKRN-NSHDSACASA-N -1 1 338.395 3.594 20 0 EHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)ncc1F ZINC001195276264 1135403307 /nfs/dbraw/zinc/40/33/07/1135403307.db2.gz AZFDVLXJKPSECW-UHFFFAOYSA-N -1 1 335.187 3.637 20 0 EHADMM CCOC(=O)NC(=S)[N-]c1ccc(Oc2ccccc2OC)cc1 ZINC001195484753 1135432313 /nfs/dbraw/zinc/43/23/13/1135432313.db2.gz PZNINHJWRMTJEH-UHFFFAOYSA-N -1 1 346.408 3.930 20 0 EHADMM Cn1[n-]cc2c(=NC(=O)NC(C)(C)CC3CCCCCC3)ccnc1-2 ZINC000806486676 1135450231 /nfs/dbraw/zinc/45/02/31/1135450231.db2.gz CCXDRDAUHKJYKV-UHFFFAOYSA-N -1 1 343.475 3.602 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000747360945 1135495698 /nfs/dbraw/zinc/49/56/98/1135495698.db2.gz CMJPKUWIBIECND-UHFFFAOYSA-N -1 1 338.367 3.521 20 0 EHADMM [O-]c1c(F)cc(F)cc1NC(=S)NCc1cccc(Cl)c1 ZINC001195983409 1135497103 /nfs/dbraw/zinc/49/71/03/1135497103.db2.gz OEBLLDHDVRJMBY-UHFFFAOYSA-N -1 1 328.771 3.810 20 0 EHADMM CC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196386998 1135553858 /nfs/dbraw/zinc/55/38/58/1135553858.db2.gz HVKSWVLAAMMTHK-UHFFFAOYSA-N -1 1 341.791 3.791 20 0 EHADMM CC(C)Oc1c(F)ccc(C(=O)[N-]c2nnc(-c3ccco3)o2)c1F ZINC001196882062 1135621702 /nfs/dbraw/zinc/62/17/02/1135621702.db2.gz XPTJAZUQNZHOIW-UHFFFAOYSA-N -1 1 349.293 3.647 20 0 EHADMM O=c1ccn(-c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)[n-]1 ZINC001196951501 1135633544 /nfs/dbraw/zinc/63/35/44/1135633544.db2.gz VUXJZDQQIYXGRS-UHFFFAOYSA-N -1 1 328.372 3.526 20 0 EHADMM CCOc1ccc(C)c(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001197121786 1135652208 /nfs/dbraw/zinc/65/22/08/1135652208.db2.gz IXNFMJYTUYPRMW-UHFFFAOYSA-N -1 1 337.379 3.537 20 0 EHADMM COc1ccc(S(=O)(=O)[N-]c2cc3ccccc3nc2C)c(C)c1 ZINC001198908124 1135868523 /nfs/dbraw/zinc/86/85/23/1135868523.db2.gz ZVMHUWJJCPYHNM-UHFFFAOYSA-N -1 1 342.420 3.661 20 0 EHADMM CSc1nc(C)c(CCC(=O)OC[C@H]2CCC[C@@H](C)C2)c(=O)[n-]1 ZINC000776112629 1135959549 /nfs/dbraw/zinc/95/95/49/1135959549.db2.gz KGCQUKRPFSQRAA-YPMHNXCESA-N -1 1 338.473 3.515 20 0 EHADMM COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000810582232 1135977875 /nfs/dbraw/zinc/97/78/75/1135977875.db2.gz KROJXVQOQYAPQH-UHFFFAOYSA-N -1 1 340.162 3.738 20 0 EHADMM Cc1cc(Cl)cc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1O ZINC000747615825 1135983599 /nfs/dbraw/zinc/98/35/99/1135983599.db2.gz CXBXEMBIBZRACK-VOTSOKGWSA-N -1 1 341.791 3.906 20 0 EHADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F)C(C)(C)C ZINC001201275585 1136002997 /nfs/dbraw/zinc/00/29/97/1136002997.db2.gz BFBXOCBYNDAJFP-SSDOTTSWSA-N -1 1 328.236 3.845 20 0 EHADMM CCc1cc2c(COC(=O)C3(F)CCCCC3)cc(=O)oc2cc1[O-] ZINC000811250019 1136061931 /nfs/dbraw/zinc/06/19/31/1136061931.db2.gz WWKOTNGQZGJTMX-UHFFFAOYSA-N -1 1 348.370 3.777 20 0 EHADMM Cc1ccccc1-c1cnc(NC([O-])=NO[C@@H]2CCCCO2)s1 ZINC000161731388 1136064356 /nfs/dbraw/zinc/06/43/56/1136064356.db2.gz NHCROEIZCMVYDR-CQSZACIVSA-N -1 1 333.413 3.698 20 0 EHADMM Cc1ccccc1-c1cnc(NC(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC000161731388 1136064359 /nfs/dbraw/zinc/06/43/59/1136064359.db2.gz NHCROEIZCMVYDR-CQSZACIVSA-N -1 1 333.413 3.698 20 0 EHADMM CCc1cc2c(COC(=O)c3ccccc3F)cc(=O)oc2cc1[O-] ZINC000006059530 1136156725 /nfs/dbraw/zinc/15/67/25/1136156725.db2.gz RAETWKNLIDJEHK-UHFFFAOYSA-N -1 1 342.322 3.557 20 0 EHADMM Cc1ccccc1-n1ccnc1SCC(=O)c1ccc([O-])cc1O ZINC000026047070 1136445154 /nfs/dbraw/zinc/44/51/54/1136445154.db2.gz MPBBGIDPTULXNN-UHFFFAOYSA-N -1 1 340.404 3.567 20 0 EHADMM CC[C@@H](C)CN(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000110961498 1136494460 /nfs/dbraw/zinc/49/44/60/1136494460.db2.gz PYHNGRULQFLPCK-CYBMUJFWSA-N -1 1 346.500 3.811 20 0 EHADMM O=C(CNCc1cccc([O-])c1Cl)Nc1cccc2ccccc21 ZINC000815124312 1136553970 /nfs/dbraw/zinc/55/39/70/1136553970.db2.gz RHPTXUMMOWPYBH-UHFFFAOYSA-N -1 1 340.810 3.927 20 0 EHADMM CCN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000854562324 1136627488 /nfs/dbraw/zinc/62/74/88/1136627488.db2.gz HPYLKBZKZXPTQX-YVEFUNNKSA-N -1 1 333.815 3.630 20 0 EHADMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000855213314 1136677864 /nfs/dbraw/zinc/67/78/64/1136677864.db2.gz LSSFQPLHZOXKIM-HNNXBMFYSA-N -1 1 345.418 3.504 20 0 EHADMM O=C([N-]OC1CCCCC1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000816211786 1136686288 /nfs/dbraw/zinc/68/62/88/1136686288.db2.gz QTUAWRBYGZULNT-UHFFFAOYSA-N -1 1 335.419 3.546 20 0 EHADMM Cc1cccc2c1CCC[C@H]2NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000856301877 1136773822 /nfs/dbraw/zinc/77/38/22/1136773822.db2.gz UUFCOQHCXIIBOY-MRXNPFEDSA-N -1 1 339.439 3.730 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000817089608 1136778269 /nfs/dbraw/zinc/77/82/69/1136778269.db2.gz KONAFKIIGUPBIK-INIZCTEOSA-N -1 1 339.439 3.538 20 0 EHADMM CON(C(=O)c1cncc([O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000856341325 1136778382 /nfs/dbraw/zinc/77/83/82/1136778382.db2.gz MUIJEZNHZUJAHP-JTQLQIEISA-N -1 1 340.301 3.571 20 0 EHADMM O=C(NCCSCc1ccccc1F)c1ccc(Cl)cc1[O-] ZINC001135820313 1136781366 /nfs/dbraw/zinc/78/13/66/1136781366.db2.gz XXKGWAGGTAHVTP-UHFFFAOYSA-N -1 1 339.819 3.848 20 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NIDIBHGVBZUOKZ-OWJWWREXSA-N -1 1 346.448 3.724 20 0 EHADMM CCCCOc1cc(C=Cc2ncc(OC)c(=O)[n-]2)ccc1OC ZINC000821007539 1137015557 /nfs/dbraw/zinc/01/55/57/1137015557.db2.gz IXAOULNIPNJKPF-VQHVLOKHSA-N -1 1 330.384 3.549 20 0 EHADMM COCC[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccco1 ZINC000821797325 1137038580 /nfs/dbraw/zinc/03/85/80/1137038580.db2.gz ORDCNHXYJMMFMC-CYBMUJFWSA-N -1 1 345.292 3.544 20 0 EHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccc(F)c(Cl)c1 ZINC001136530163 1137046184 /nfs/dbraw/zinc/04/61/84/1137046184.db2.gz DUEXDJNKZKEYBK-UHFFFAOYSA-N -1 1 328.170 3.697 20 0 EHADMM CCOc1ccccc1CCNC(=O)c1cc2ccccc2cc1[O-] ZINC001136566450 1137053861 /nfs/dbraw/zinc/05/38/61/1137053861.db2.gz LWXUMXZOPZYQDR-UHFFFAOYSA-N -1 1 335.403 3.917 20 0 EHADMM Cc1ccccc1[C@H](NC(=O)c1cnncc1[O-])[C@@H]1CCC[C@H](C)C1 ZINC001136731808 1137104132 /nfs/dbraw/zinc/10/41/32/1137104132.db2.gz HRQIQPUBASKSBW-ZBQZNYHESA-N -1 1 339.439 3.788 20 0 EHADMM C[C@H](CCc1cccn1C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001136787072 1137116524 /nfs/dbraw/zinc/11/65/24/1137116524.db2.gz WFCVGVWSAYXODX-LLVKDONJSA-N -1 1 340.345 3.501 20 0 EHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CSCCS1 ZINC000862294504 1137137862 /nfs/dbraw/zinc/13/78/62/1137137862.db2.gz LOMGDUZUALVIQC-CYBMUJFWSA-N -1 1 339.869 3.986 20 0 EHADMM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1nc(C2(C)CC2)ns1 ZINC000824876160 1137156783 /nfs/dbraw/zinc/15/67/83/1137156783.db2.gz NKQMUPATCWMYFX-UHFFFAOYSA-N -1 1 331.319 3.762 20 0 EHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000825011662 1137160020 /nfs/dbraw/zinc/16/00/20/1137160020.db2.gz RKMJPWWHJQBBKV-JJLQDPRZSA-N -1 1 344.377 3.541 20 0 EHADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N(C2CC2)C2CC2)c([O-])c1 ZINC000862851975 1137161191 /nfs/dbraw/zinc/16/11/91/1137161191.db2.gz BCDWZBPWNSRKQD-UHFFFAOYSA-N -1 1 332.400 3.506 20 0 EHADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863250331 1137177582 /nfs/dbraw/zinc/17/75/82/1137177582.db2.gz DEJCEFTZYDGCQC-RRQGHBQHSA-N -1 1 327.811 3.921 20 0 EHADMM CN(C)C(=O)Sc1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001143799511 1137200853 /nfs/dbraw/zinc/20/08/53/1137200853.db2.gz NBXUQGUPBATXMD-UHFFFAOYSA-N -1 1 334.372 3.557 20 0 EHADMM Cc1cnc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)c([O-])c1 ZINC001144273877 1137264217 /nfs/dbraw/zinc/26/42/17/1137264217.db2.gz OFKQHLWNLSOSRG-UHFFFAOYSA-N -1 1 336.313 3.534 20 0 EHADMM C[C@@]1(CC[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@@]1(F)Cl ZINC000845973668 1137322558 /nfs/dbraw/zinc/32/25/58/1137322558.db2.gz BNNWGMVOWSITRT-KGLIPLIRSA-N -1 1 349.786 3.555 20 0 EHADMM COC(=O)c1cccc([C@H]2CCCN2Cc2cc(F)c([O-])cc2F)c1 ZINC001144663234 1137324911 /nfs/dbraw/zinc/32/49/11/1137324911.db2.gz ACXXLOGYDXVRCU-QGZVFWFLSA-N -1 1 347.361 3.794 20 0 EHADMM COC(=O)c1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1OC ZINC001144733912 1137340198 /nfs/dbraw/zinc/34/01/98/1137340198.db2.gz GQZAIOQFZDLZHM-UHFFFAOYSA-N -1 1 343.379 3.563 20 0 EHADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1onc2ccccc21 ZINC001146384233 1137390138 /nfs/dbraw/zinc/39/01/38/1137390138.db2.gz GLWVFTWUAIJYSC-UHFFFAOYSA-N -1 1 336.376 3.522 20 0 EHADMM COc1ccc([C@H](C)CCNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001146652356 1137392456 /nfs/dbraw/zinc/39/24/56/1137392456.db2.gz HGTZVITUVWLHSF-GFCCVEGCSA-N -1 1 333.815 3.978 20 0 EHADMM CCCN(C(=O)c1ncc(C)cc1[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001147204353 1137402200 /nfs/dbraw/zinc/40/22/00/1137402200.db2.gz MROHCRZRAASYNF-IAGOWNOFSA-N -1 1 346.471 3.686 20 0 EHADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001147218680 1137402904 /nfs/dbraw/zinc/40/29/04/1137402904.db2.gz PSEBQOKWAWMXCQ-HWPZZCPQSA-N -1 1 337.778 3.691 20 0 EHADMM CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])C1(C)C ZINC001147896761 1137414070 /nfs/dbraw/zinc/41/40/70/1137414070.db2.gz UBMHONSEUBSVLW-JXFKEZNVSA-N -1 1 343.423 3.527 20 0 EHADMM C[C@H](O)c1ncc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)s1 ZINC001148251839 1137420622 /nfs/dbraw/zinc/42/06/22/1137420622.db2.gz CVTUFBJVAFCXHM-QMMMGPOBSA-N -1 1 348.811 3.961 20 0 EHADMM C[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)[C@@]12C[C@@H]1CCCC2 ZINC001171334482 1137428369 /nfs/dbraw/zinc/42/83/69/1137428369.db2.gz YMWPVZQIUUBYCL-SYTFOFBDSA-N -1 1 328.387 3.778 20 0 EHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCc2ncccc2C1 ZINC001148865999 1137436686 /nfs/dbraw/zinc/43/66/86/1137436686.db2.gz CXJDIYKLVGNGCK-UHFFFAOYSA-N -1 1 330.387 3.653 20 0 EHADMM O=C(Nc1cnn(C(F)F)c1)c1cccc(-c2ccccc2)c1[O-] ZINC001148867042 1137436707 /nfs/dbraw/zinc/43/67/07/1137436707.db2.gz LCXJHFJCFOPBIV-UHFFFAOYSA-N -1 1 329.306 3.903 20 0 EHADMM CCOC(CCNC(=O)c1cccc(-c2ccccc2)c1[O-])OCC ZINC001148872994 1137437073 /nfs/dbraw/zinc/43/70/73/1137437073.db2.gz PEPGWXJLCBOEPX-UHFFFAOYSA-N -1 1 343.423 3.578 20 0 EHADMM COc1cc(Cl)c(CN[C@H](C(=O)[O-])c2ccccc2C)cc1OC ZINC000871883672 1137562465 /nfs/dbraw/zinc/56/24/65/1137562465.db2.gz UVFOOWMCBZMRRM-KRWDZBQOSA-N -1 1 349.814 3.581 20 0 EHADMM COCc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000871883677 1137562483 /nfs/dbraw/zinc/56/24/83/1137562483.db2.gz UYZILQCGPQMMAW-KRWDZBQOSA-N -1 1 333.815 3.792 20 0 EHADMM CCC(F)(F)C(C)(C)CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000873081456 1137589778 /nfs/dbraw/zinc/58/97/78/1137589778.db2.gz GQYAZUFDGCLGSP-UHFFFAOYSA-N -1 1 334.794 3.916 20 0 EHADMM Cc1cnc(C(C)(C)[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)s1 ZINC000875420818 1137633336 /nfs/dbraw/zinc/63/33/36/1137633336.db2.gz FENNRPAENKRXHP-UHFFFAOYSA-N -1 1 346.349 3.873 20 0 EHADMM CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876393167 1137650605 /nfs/dbraw/zinc/65/06/05/1137650605.db2.gz DLFKSJLLNAHSFY-OLZOCXBDSA-N -1 1 342.892 3.861 20 0 EHADMM Cc1cncc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC000876399023 1137650808 /nfs/dbraw/zinc/65/08/08/1137650808.db2.gz LKZLFWJMUVJBTB-INIZCTEOSA-N -1 1 345.830 3.796 20 0 EHADMM O=c1cc(CSc2ncnc3ccsc32)c2ccc([O-])cc2o1 ZINC000022188201 1137682098 /nfs/dbraw/zinc/68/20/98/1137682098.db2.gz FJKBWMDEPOTIIM-UHFFFAOYSA-N -1 1 342.401 3.796 20 0 EHADMM CC(=O)Nc1cccc2c1CN(Cc1cccc([O-])c1Cl)CC2 ZINC000877681346 1137685521 /nfs/dbraw/zinc/68/55/21/1137685521.db2.gz KSJHVMWXSRKPGL-UHFFFAOYSA-N -1 1 330.815 3.562 20 0 EHADMM CCCc1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000022228692 1137685582 /nfs/dbraw/zinc/68/55/82/1137685582.db2.gz XTVJUQROTURYSV-UHFFFAOYSA-N -1 1 345.468 3.736 20 0 EHADMM C[C@@]1(c2ccccc2)CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000880372356 1137776879 /nfs/dbraw/zinc/77/68/79/1137776879.db2.gz WDWLMHJXJCPNGP-SFHVURJKSA-N -1 1 325.437 3.908 20 0 EHADMM COC(=O)c1c[n-]c(SC[C@H]2CCC[C@H](c3ccccc3)O2)n1 ZINC000882157441 1137822365 /nfs/dbraw/zinc/82/23/65/1137822365.db2.gz XEYIMNSJENOGDL-UKRRQHHQSA-N -1 1 332.425 3.599 20 0 EHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C(C)=O)c(F)c1 ZINC000882706517 1137832245 /nfs/dbraw/zinc/83/22/45/1137832245.db2.gz KUZKSQRDVWKKNG-UHFFFAOYSA-N -1 1 349.427 3.954 20 0 EHADMM C[C@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000332249332 1137937196 /nfs/dbraw/zinc/93/71/96/1137937196.db2.gz BXLBWBZJKGPWCA-JTQLQIEISA-N -1 1 349.228 3.575 20 0 EHADMM CC(C)C[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)n1ccnc1 ZINC000885680262 1138018345 /nfs/dbraw/zinc/01/83/45/1138018345.db2.gz NYAMDPRCIHWPHY-CYBMUJFWSA-N -1 1 325.771 3.607 20 0 EHADMM O=C(C[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000092929525 1138232920 /nfs/dbraw/zinc/23/29/20/1138232920.db2.gz OKAJEUHXZDZFLS-OAHLLOKOSA-N -1 1 345.345 3.548 20 0 EHADMM COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1OC ZINC000093910919 1138242891 /nfs/dbraw/zinc/24/28/91/1138242891.db2.gz MGXWYQJRUWMWGK-HNNXBMFYSA-N -1 1 345.370 3.526 20 0 EHADMM CC[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCS1 ZINC000338387195 1138879222 /nfs/dbraw/zinc/87/92/22/1138879222.db2.gz JVMUNIOTFCUHHY-LLVKDONJSA-N -1 1 336.844 3.561 20 0 EHADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000150876159 1138988457 /nfs/dbraw/zinc/98/84/57/1138988457.db2.gz FIRQXHANGBNNPD-UHFFFAOYSA-N -1 1 348.472 3.628 20 0 EHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCC1CCC(F)(F)CC1 ZINC000890061132 1139308171 /nfs/dbraw/zinc/30/81/71/1139308171.db2.gz CYKAHMBQGCOAQA-UHFFFAOYSA-N -1 1 341.402 3.559 20 0 EHADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H](C)[C@H]2C)cc1 ZINC000177118782 1139598204 /nfs/dbraw/zinc/59/82/04/1139598204.db2.gz SDGLOKFIAFIZIA-ZIAGYGMSSA-N -1 1 344.484 3.563 20 0 EHADMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180776979 1139861510 /nfs/dbraw/zinc/86/15/10/1139861510.db2.gz SUOSWGIGNFFGEO-QMMMGPOBSA-N -1 1 342.317 3.549 20 0 EHADMM CCOc1cc(C(=O)N[C@@H]2CCC[C@@H](SC)C2)cc(Cl)c1[O-] ZINC000186817579 1140222970 /nfs/dbraw/zinc/22/29/70/1140222970.db2.gz BAEZBYGSXAULJT-VXGBXAGGSA-N -1 1 343.876 3.848 20 0 EHADMM CC(F)(F)c1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000187589067 1140262634 /nfs/dbraw/zinc/26/26/34/1140262634.db2.gz RVPJHAHWMCLZJO-UHFFFAOYSA-N -1 1 333.260 3.925 20 0 EHADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000192328674 1140523219 /nfs/dbraw/zinc/52/32/19/1140523219.db2.gz OIJRIZQXGGFQON-ZJUUUORDSA-N -1 1 342.823 3.533 20 0 EHADMM COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])c(OC)c1OC ZINC000271324978 1141345505 /nfs/dbraw/zinc/34/55/05/1141345505.db2.gz UVZGFLXJHFWKBR-UHFFFAOYSA-N -1 1 345.395 3.794 20 0 EHADMM CCOc1cc(C(=O)NCc2ccc(C)s2)cc(Cl)c1[O-] ZINC000273935261 1141448940 /nfs/dbraw/zinc/44/89/40/1141448940.db2.gz IYHWDCZGLWOULJ-UHFFFAOYSA-N -1 1 325.817 3.744 20 0 EHADMM CCC(CC)c1nnc([N-]C(=O)c2ccc(C(OC)OC)o2)s1 ZINC000274415443 1141521592 /nfs/dbraw/zinc/52/15/92/1141521592.db2.gz CPWPDCUEUPFLEH-UHFFFAOYSA-N -1 1 339.417 3.578 20 0 EHADMM O=S(=O)([N-]c1cc(Br)ccc1F)c1ccccc1F ZINC000036752343 213116037 /nfs/dbraw/zinc/11/60/37/213116037.db2.gz XZAYADDWXCHDRA-UHFFFAOYSA-N -1 1 348.168 3.528 20 0 EHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000012502774 211393856 /nfs/dbraw/zinc/39/38/56/211393856.db2.gz KFTNEILVDDUXGR-SECBINFHSA-N -1 1 338.176 3.785 20 0 in-vivo EHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000007382001 210789950 /nfs/dbraw/zinc/78/99/50/210789950.db2.gz RDLJVAQUTSUFHN-UHFFFAOYSA-N -1 1 333.306 3.954 20 0 EHADMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc2cccc(F)c2o1 ZINC000636355891 480915764 /nfs/dbraw/zinc/91/57/64/480915764.db2.gz RNMZCAXUQIMSSE-JTQLQIEISA-N -1 1 333.344 3.527 20 0 EHADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000738438097 598956969 /nfs/dbraw/zinc/95/69/69/598956969.db2.gz WJWWLTZIXQPQGX-HZSPNIEDSA-N -1 1 349.442 3.581 20 0 EHADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000738438097 598956970 /nfs/dbraw/zinc/95/69/70/598956970.db2.gz WJWWLTZIXQPQGX-HZSPNIEDSA-N -1 1 349.442 3.581 20 0 EHADMM Cc1cccc([C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c1C ZINC000737388864 599066428 /nfs/dbraw/zinc/06/64/28/599066428.db2.gz MOHYWYOUIIVLHX-VIFPVBQESA-N -1 1 334.836 3.767 20 0 EHADMM Cc1cccc([C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c1C ZINC000737388864 599066433 /nfs/dbraw/zinc/06/64/33/599066433.db2.gz MOHYWYOUIIVLHX-VIFPVBQESA-N -1 1 334.836 3.767 20 0 EHADMM C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818075596 597087442 /nfs/dbraw/zinc/08/74/42/597087442.db2.gz BOYBBQIRSZBFOZ-NWDGAFQWSA-N -1 1 349.818 3.638 20 0 EHADMM Clc1ccccc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737583970 599253344 /nfs/dbraw/zinc/25/33/44/599253344.db2.gz OZEHXEUYWWJTLX-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM Clc1ccccc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000737583970 599253348 /nfs/dbraw/zinc/25/33/48/599253348.db2.gz OZEHXEUYWWJTLX-UHFFFAOYSA-N -1 1 336.786 3.680 20 0 EHADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000821107460 597412478 /nfs/dbraw/zinc/41/24/78/597412478.db2.gz VUVQZFXRMFVGFB-UHFFFAOYSA-N -1 1 349.390 3.573 20 0 EHADMM CCOc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821422509 607309211 /nfs/dbraw/zinc/30/92/11/607309211.db2.gz XTISJCAWJKUIJK-UHFFFAOYSA-N -1 1 335.820 3.592 20 0 EHADMM O=C([O-])c1cccc(CNCc2ccccc2OCc2ccncc2)c1 ZINC000821552621 598194299 /nfs/dbraw/zinc/19/42/99/598194299.db2.gz NFRNKDSKYOZLKT-UHFFFAOYSA-N -1 1 348.402 3.649 20 0 EHADMM COc1cccc([C@H](C)Nc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000821858574 599488178 /nfs/dbraw/zinc/48/81/78/599488178.db2.gz GSQUHBKKOKYRDF-LBPRGKRZSA-N -1 1 346.394 3.597 20 0 EHADMM COc1cccc([C@H](C)Nc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000821858574 599488180 /nfs/dbraw/zinc/48/81/80/599488180.db2.gz GSQUHBKKOKYRDF-LBPRGKRZSA-N -1 1 346.394 3.597 20 0 EHADMM O=C([O-])[C@H](NCc1ccccc1C(F)(F)F)c1cc(F)ccc1F ZINC000739504496 599788552 /nfs/dbraw/zinc/78/85/52/599788552.db2.gz KCMBUYHHDIAHEH-CQSZACIVSA-N -1 1 345.267 3.899 20 0 EHADMM C[C@@H](CN(Cn1c2cc(Cl)ccc2oc1=S)C1CC1)C(=O)[O-] ZINC000736581550 599935344 /nfs/dbraw/zinc/93/53/44/599935344.db2.gz IZVQZNDJRFKHAU-VIFPVBQESA-N -1 1 340.832 3.760 20 0 EHADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC1CCCCC1)CC2 ZINC000568874522 600044119 /nfs/dbraw/zinc/04/41/19/600044119.db2.gz VRRRDSSTSQNFHH-KRWDZBQOSA-N -1 1 347.455 3.658 20 0 EHADMM O=C([O-])c1ccc2c(c1)CN(CCOc1cccc3ccccc31)C2 ZINC000740203634 600084461 /nfs/dbraw/zinc/08/44/61/600084461.db2.gz TXVWKBGZTZAQAF-UHFFFAOYSA-N -1 1 333.387 3.933 20 0 EHADMM COc1ccc(OC)c([C@@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738047287 600418211 /nfs/dbraw/zinc/41/82/11/600418211.db2.gz CIUDVWIITJAMOU-DIFFPNOSSA-N -1 1 349.814 3.834 20 0 EHADMM O=C([O-])COc1cccc(CNCc2ccc(-c3ccccc3)o2)c1 ZINC000739833439 600640207 /nfs/dbraw/zinc/64/02/07/600640207.db2.gz SVSFBRYOEYIIDY-UHFFFAOYSA-N -1 1 337.375 3.700 20 0 EHADMM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)C1 ZINC000179990827 600836915 /nfs/dbraw/zinc/83/69/15/600836915.db2.gz VSFBRIKEKNWCTQ-STQMWFEESA-N -1 1 341.411 3.660 20 0 EHADMM C[C@H](CN(Cc1ccccc1)Cn1ccc(-c2ccccc2)n1)C(=O)[O-] ZINC000736583270 601089133 /nfs/dbraw/zinc/08/91/33/601089133.db2.gz MHTXRTFEFHHDFH-QGZVFWFLSA-N -1 1 349.434 3.731 20 0 EHADMM CC(C)c1cccc(C(C)C)c1NC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000827134286 601506474 /nfs/dbraw/zinc/50/64/74/601506474.db2.gz PHYKKTMAMYLQTP-WMLDXEAASA-N -1 1 346.471 3.524 20 0 EHADMM CC(C)Oc1ccc2ccccc2c1CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000827058659 601555649 /nfs/dbraw/zinc/55/56/49/601555649.db2.gz QDRWZSJHXBVVEE-IBGZPJMESA-N -1 1 331.387 3.626 20 0 EHADMM COc1ccccc1CN(Cc1cc(C(=O)[O-])sc1C)C1CC1 ZINC000832613946 601620165 /nfs/dbraw/zinc/62/01/65/601620165.db2.gz SCFHXWSYOXODQN-UHFFFAOYSA-N -1 1 331.437 3.928 20 0 EHADMM O=C([O-])[C@H](N[C@@H]1COc2c1cccc2Cl)c1cccc(Cl)c1 ZINC000833168684 601852983 /nfs/dbraw/zinc/85/29/83/601852983.db2.gz ZGCAZBPGRDEDFI-ZIAGYGMSSA-N -1 1 338.190 3.842 20 0 EHADMM CN(Cc1cccc(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830845215 601898227 /nfs/dbraw/zinc/89/82/27/601898227.db2.gz RLSRULPDDCXPKV-OAHLLOKOSA-N -1 1 327.277 3.501 20 0 EHADMM c1ccc2cc(CSCc3ccnc(-c4nnn[n-]4)c3)ccc2c1 ZINC000826523953 607533434 /nfs/dbraw/zinc/53/34/34/607533434.db2.gz CZWWTFUTJQVLCE-UHFFFAOYSA-N -1 1 333.420 3.848 20 0 EHADMM c1ccc2cc(CSCc3ccnc(-c4nn[n-]n4)c3)ccc2c1 ZINC000826523953 607533435 /nfs/dbraw/zinc/53/34/35/607533435.db2.gz CZWWTFUTJQVLCE-UHFFFAOYSA-N -1 1 333.420 3.848 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824757626 607533875 /nfs/dbraw/zinc/53/38/75/607533875.db2.gz YNHYUOGCFLEBGH-SNVBAGLBSA-N -1 1 331.832 3.910 20 0 EHADMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824757626 607533877 /nfs/dbraw/zinc/53/38/77/607533877.db2.gz YNHYUOGCFLEBGH-SNVBAGLBSA-N -1 1 331.832 3.910 20 0 EHADMM CCCN(Cc1ccc(C(=O)[O-])s1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000829496518 601947212 /nfs/dbraw/zinc/94/72/12/601947212.db2.gz FPVQNSOECCICLB-ZDUSSCGKSA-N -1 1 346.452 3.686 20 0 EHADMM Cc1ncc(CN(Cc2ccccc2)[C@H]2CCCN(C(=O)[O-])C2)s1 ZINC000740232490 602480404 /nfs/dbraw/zinc/48/04/04/602480404.db2.gz HASAFOFWLMMJGF-INIZCTEOSA-N -1 1 345.468 3.596 20 0 EHADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738149671 602958872 /nfs/dbraw/zinc/95/88/72/602958872.db2.gz WVGFOZFZANGPGR-UHFFFAOYSA-N -1 1 337.335 3.694 20 0 EHADMM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000739066076 603066767 /nfs/dbraw/zinc/06/67/67/603066767.db2.gz WPJMPXAZWKKUFD-LSDHHAIUSA-N -1 1 343.427 3.724 20 0 EHADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1OC(F)F ZINC000825501887 603535340 /nfs/dbraw/zinc/53/53/40/603535340.db2.gz FUAJTMIJWCOXMK-JTQLQIEISA-N -1 1 337.326 3.624 20 0 EHADMM CN(Cc1csc(-c2ccccc2F)n1)C1CCN(C(=O)[O-])CC1 ZINC000828411696 603984823 /nfs/dbraw/zinc/98/48/23/603984823.db2.gz UMENJNWKTZMJJU-UHFFFAOYSA-N -1 1 349.431 3.523 20 0 EHADMM Cc1ccccc1-c1cnc(CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)o1 ZINC000830545642 604254586 /nfs/dbraw/zinc/25/45/86/604254586.db2.gz LCYRYIHAWFTTET-CABCVRRESA-N -1 1 343.427 3.518 20 0 EHADMM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000827726699 604292464 /nfs/dbraw/zinc/29/24/64/604292464.db2.gz BUWLYCMOQGHOAJ-TZMCWYRMSA-N -1 1 331.441 3.603 20 0 EHADMM C[C@@H](Oc1ccc(CN2CCCC[C@@H]2c2ccco2)cc1)C(=O)[O-] ZINC000833544082 604642322 /nfs/dbraw/zinc/64/23/22/604642322.db2.gz WSHYLEKEWJQYPF-RHSMWYFYSA-N -1 1 329.396 3.859 20 0 EHADMM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1cc(Cl)ccc1Cl ZINC000827717665 604997238 /nfs/dbraw/zinc/99/72/38/604997238.db2.gz KAXQBSCTVWYIMB-XPTSAGLGSA-N -1 1 325.195 3.865 20 0 EHADMM C[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1cccc(Cl)c1 ZINC000833411113 605058147 /nfs/dbraw/zinc/05/81/47/605058147.db2.gz LWPMCZBFPTVSLE-SECBINFHSA-N -1 1 343.770 3.657 20 0 EHADMM C[C@H](Oc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1)C(=O)[O-] ZINC000833543240 605079660 /nfs/dbraw/zinc/07/96/60/605079660.db2.gz YDQDOQXICRPHDQ-IIYDPXPESA-N -1 1 329.396 3.545 20 0 EHADMM CC(C)OC(=O)C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833503167 605268694 /nfs/dbraw/zinc/26/86/94/605268694.db2.gz XPQALVWQWWCUJA-OAHLLOKOSA-N -1 1 347.436 3.619 20 0 EHADMM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000190614591 605701996 /nfs/dbraw/zinc/70/19/96/605701996.db2.gz LWJVGOFYUCRTBX-UHFFFAOYSA-N -1 1 341.367 3.652 20 0 EHADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CSc3ccccc32)c2ccccc21 ZINC000834160241 605800755 /nfs/dbraw/zinc/80/07/55/605800755.db2.gz SZOPCKUPGTZNTG-ARFHVFGLSA-N -1 1 326.421 3.877 20 0 EHADMM CCC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000821022782 606212867 /nfs/dbraw/zinc/21/28/67/606212867.db2.gz UWXAHGIBUNGYJO-JTQLQIEISA-N -1 1 334.836 3.930 20 0 EHADMM CCC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000821022782 606212870 /nfs/dbraw/zinc/21/28/70/606212870.db2.gz UWXAHGIBUNGYJO-JTQLQIEISA-N -1 1 334.836 3.930 20 0 EHADMM FC(F)(F)c1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822728365 606439319 /nfs/dbraw/zinc/43/93/19/606439319.db2.gz HTRKOABHYMWXSD-UHFFFAOYSA-N -1 1 341.680 3.726 20 0 EHADMM FC(F)(F)c1cccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822728365 606439321 /nfs/dbraw/zinc/43/93/21/606439321.db2.gz HTRKOABHYMWXSD-UHFFFAOYSA-N -1 1 341.680 3.726 20 0 EHADMM CC(C)[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000820026116 606444118 /nfs/dbraw/zinc/44/41/18/606444118.db2.gz HWSGWHPVWQWVBN-HNNXBMFYSA-N -1 1 328.807 3.724 20 0 EHADMM CC(C)[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000820026116 606444120 /nfs/dbraw/zinc/44/41/20/606444120.db2.gz HWSGWHPVWQWVBN-HNNXBMFYSA-N -1 1 328.807 3.724 20 0 EHADMM Cc1ccc([C@@H]2CCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822233799 606449078 /nfs/dbraw/zinc/44/90/78/606449078.db2.gz VGQMXCWXUWFMAJ-AWEZNQCLSA-N -1 1 340.818 3.565 20 0 EHADMM Cc1ccc([C@@H]2CCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822233799 606449079 /nfs/dbraw/zinc/44/90/79/606449079.db2.gz VGQMXCWXUWFMAJ-AWEZNQCLSA-N -1 1 340.818 3.565 20 0 EHADMM Fc1cccc(Oc2ccc(-c3cscn3)cc2)c1-c1nnn[n-]1 ZINC000822791223 606471560 /nfs/dbraw/zinc/47/15/60/606471560.db2.gz FNGQVSRUADQIMF-UHFFFAOYSA-N -1 1 339.355 3.922 20 0 EHADMM Fc1cccc(Oc2ccc(-c3cscn3)cc2)c1-c1nn[n-]n1 ZINC000822791223 606471561 /nfs/dbraw/zinc/47/15/61/606471561.db2.gz FNGQVSRUADQIMF-UHFFFAOYSA-N -1 1 339.355 3.922 20 0 EHADMM CCOc1ccc(Sc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000825643768 608172069 /nfs/dbraw/zinc/17/20/69/608172069.db2.gz UCIIUMOHMDXOHX-UHFFFAOYSA-N -1 1 339.833 3.527 20 0 EHADMM CCOc1ccc(Sc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000825643768 608172071 /nfs/dbraw/zinc/17/20/71/608172071.db2.gz UCIIUMOHMDXOHX-UHFFFAOYSA-N -1 1 339.833 3.527 20 0 EHADMM C[C@H]1CCc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824966592 608193815 /nfs/dbraw/zinc/19/38/15/608193815.db2.gz CBMXLSHDTNAQRA-QPUJVOFHSA-N -1 1 346.847 3.712 20 0 EHADMM C[C@H]1CCc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824966592 608193816 /nfs/dbraw/zinc/19/38/16/608193816.db2.gz CBMXLSHDTNAQRA-QPUJVOFHSA-N -1 1 346.847 3.712 20 0 EHADMM CC(C)C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC000824237390 608425368 /nfs/dbraw/zinc/42/53/68/608425368.db2.gz RQGYPVZJOPYGTA-CQSZACIVSA-N -1 1 343.822 3.509 20 0 EHADMM CC(C)C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC000824237390 608425370 /nfs/dbraw/zinc/42/53/70/608425370.db2.gz RQGYPVZJOPYGTA-CQSZACIVSA-N -1 1 343.822 3.509 20 0 EHADMM Fc1cccc(Oc2ccc(-c3ccccc3)nc2)c1-c1nnn[n-]1 ZINC000826377751 608796504 /nfs/dbraw/zinc/79/65/04/608796504.db2.gz DVDQGTSZAFFUPY-UHFFFAOYSA-N -1 1 333.326 3.860 20 0 EHADMM Fc1cccc(Oc2ccc(-c3ccccc3)nc2)c1-c1nn[n-]n1 ZINC000826377751 608796505 /nfs/dbraw/zinc/79/65/05/608796505.db2.gz DVDQGTSZAFFUPY-UHFFFAOYSA-N -1 1 333.326 3.860 20 0 EHADMM