smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1nc(C)cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161128327 473210179 /nfs/dbraw/zinc/21/01/79/473210179.db2.gz SYVHUOIGPWFDOF-UHFFFAOYSA-N -1 3 337.383 2.522 10 70 EFIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2)n1 ZINC000161178949 473215463 /nfs/dbraw/zinc/21/54/63/473215463.db2.gz MYNKHOOIXGXVBZ-UHFFFAOYSA-N -1 3 349.394 2.600 10 70 EFIEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161460807 473237313 /nfs/dbraw/zinc/23/73/13/473237313.db2.gz UDDFWOKYDOVKQB-SVRRBLITSA-N -1 3 332.232 2.844 10 70 EFIEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161460807 473237315 /nfs/dbraw/zinc/23/73/15/473237315.db2.gz UDDFWOKYDOVKQB-SVRRBLITSA-N -1 3 332.232 2.844 10 70 EFIEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000161482383 473239281 /nfs/dbraw/zinc/23/92/81/473239281.db2.gz XMQSJYOKXHKLAW-JQWIXIFHSA-N -1 3 341.321 2.887 10 70 EFIEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000161482383 473239286 /nfs/dbraw/zinc/23/92/86/473239286.db2.gz XMQSJYOKXHKLAW-JQWIXIFHSA-N -1 3 341.321 2.887 10 70 EFIEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000161482383 473239292 /nfs/dbraw/zinc/23/92/92/473239292.db2.gz XMQSJYOKXHKLAW-JQWIXIFHSA-N -1 3 341.321 2.887 10 70 EFIEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CCO[C@@H](C3CC3)C1)c2=O ZINC000159393203 473024469 /nfs/dbraw/zinc/02/44/69/473024469.db2.gz QJHLMTKMUPLNBI-SJKOYZFVSA-N -1 3 342.395 2.636 10 70 EFIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)c1nccs1 ZINC000159914867 473071538 /nfs/dbraw/zinc/07/15/38/473071538.db2.gz UASIXNNOFUOTOL-CYBMUJFWSA-N -1 3 339.442 2.531 10 70 EFIEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](C)c1ccc(C)cc1 ZINC000159688575 225261804 /nfs/dbraw/zinc/26/18/04/225261804.db2.gz YLUZUFMNMYVERF-NSHDSACASA-N -1 3 341.864 2.772 10 70 EFIEHM CCn1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)ccc1=O ZINC000159786783 310691516 /nfs/dbraw/zinc/69/15/16/310691516.db2.gz YQLMFZSFRCIVHC-UHFFFAOYSA-N -1 3 344.795 2.770 10 70 EFIEHM Cc1ccc(-c2nnc(NC(=O)C(=O)c3ccc4c(c3)CCC4)[n-]2)o1 ZINC000160301929 473104951 /nfs/dbraw/zinc/10/49/51/473104951.db2.gz PNBSJLJQDBGAFC-UHFFFAOYSA-N -1 3 336.351 2.683 10 70 EFIEHM Cc1ccc(-c2n[n-]c(NC(=O)C(=O)c3ccc4c(c3)CCC4)n2)o1 ZINC000160301929 473104954 /nfs/dbraw/zinc/10/49/54/473104954.db2.gz PNBSJLJQDBGAFC-UHFFFAOYSA-N -1 3 336.351 2.683 10 70 EFIEHM Cc1ccc(-c2nc(NC(=O)C(=O)c3ccc4c(c3)CCC4)n[n-]2)o1 ZINC000160301929 473104960 /nfs/dbraw/zinc/10/49/60/473104960.db2.gz PNBSJLJQDBGAFC-UHFFFAOYSA-N -1 3 336.351 2.683 10 70 EFIEHM CCN(CC(=O)Nc1cccc(OC)c1)Cc1nc(C)ccc1[O-] ZINC000160644425 473154991 /nfs/dbraw/zinc/15/49/91/473154991.db2.gz BNBXRPXZSHECGD-UHFFFAOYSA-N -1 3 329.400 2.565 10 70 EFIEHM O=S(=O)([N-]CCc1ccccc1O)c1cc(F)ccc1Cl ZINC000159669008 239033258 /nfs/dbraw/zinc/03/32/58/239033258.db2.gz VZJQTBWEFBEADL-UHFFFAOYSA-N -1 3 329.780 2.706 10 70 EFIEHM Cc1cc(C[C@H](C)NC(=O)c2ccc(Br)cc2[O-])n[nH]1 ZINC000161243250 239067928 /nfs/dbraw/zinc/06/79/28/239067928.db2.gz WPDGLRBGCOETMC-QMMMGPOBSA-N -1 3 338.205 2.547 10 70 EFIEHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCCO1 ZINC000159795211 533183270 /nfs/dbraw/zinc/18/32/70/533183270.db2.gz DXZUMAOYWQGKQI-NOZJJQNGSA-N -1 3 343.221 2.521 10 70 EFIEHM CCCc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)n[nH]1 ZINC000161186650 544810828 /nfs/dbraw/zinc/81/08/28/544810828.db2.gz ZGBVHOFHKAISMZ-UHFFFAOYSA-N -1 3 337.383 2.673 10 70 EFIEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161482118 473239314 /nfs/dbraw/zinc/23/93/14/473239314.db2.gz XMQSJYOKXHKLAW-PWSUYJOCSA-N -1 3 341.321 2.887 10 70 EFIEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161482118 473239316 /nfs/dbraw/zinc/23/93/16/473239316.db2.gz XMQSJYOKXHKLAW-PWSUYJOCSA-N -1 3 341.321 2.887 10 70 EFIEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161482118 473239318 /nfs/dbraw/zinc/23/93/18/473239318.db2.gz XMQSJYOKXHKLAW-PWSUYJOCSA-N -1 3 341.321 2.887 10 70 EFIEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](OCC(C)C)C1)c2=O ZINC000161503398 473240667 /nfs/dbraw/zinc/24/06/67/473240667.db2.gz ONCOYMNTFMIAQH-AWEZNQCLSA-N -1 3 344.411 2.836 10 70 EFIEHM Cc1cc(S(=O)(=O)[N-]CC2(O)CCCCC2)c(Cl)cc1F ZINC000159806633 473062146 /nfs/dbraw/zinc/06/21/46/473062146.db2.gz HLXAHKWMGGRNKX-UHFFFAOYSA-N -1 3 335.828 2.761 10 70 EFIEHM CC[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1nccs1 ZINC000159925918 473073303 /nfs/dbraw/zinc/07/33/03/473073303.db2.gz OZMCTMQAZFUMPC-CQSZACIVSA-N -1 3 348.453 2.758 10 70 EFIEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCOC3(C2)CCCCCC3)c1 ZINC000160480804 278200693 /nfs/dbraw/zinc/20/06/93/278200693.db2.gz IFDZOKNQUNEAKV-UHFFFAOYSA-N -1 3 346.427 2.916 10 70 EFIEHM Cc1ccc(-c2nnc(NC(=O)CCc3nc(C(C)(C)C)no3)[n-]2)o1 ZINC000160235048 473099032 /nfs/dbraw/zinc/09/90/32/473099032.db2.gz NBMIJBXWIBPSLJ-UHFFFAOYSA-N -1 3 344.375 2.625 10 70 EFIEHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3nc(C(C)(C)C)no3)n2)o1 ZINC000160235048 473099037 /nfs/dbraw/zinc/09/90/37/473099037.db2.gz NBMIJBXWIBPSLJ-UHFFFAOYSA-N -1 3 344.375 2.625 10 70 EFIEHM Cc1ccc(-c2nc(NC(=O)CCc3nc(C(C)(C)C)no3)n[n-]2)o1 ZINC000160235048 473099044 /nfs/dbraw/zinc/09/90/44/473099044.db2.gz NBMIJBXWIBPSLJ-UHFFFAOYSA-N -1 3 344.375 2.625 10 70 EFIEHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2O)c1 ZINC000159658139 533827888 /nfs/dbraw/zinc/82/78/88/533827888.db2.gz CGUDJGRNAPTJOK-UHFFFAOYSA-N -1 3 341.816 2.575 10 70 EFIEHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCCO1 ZINC000159795064 206263206 /nfs/dbraw/zinc/26/32/06/206263206.db2.gz DXZUMAOYWQGKQI-TVQRCGJNSA-N -1 3 343.221 2.521 10 70 EFIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)c[nH]3)cc2)n1 ZINC000161194372 473216045 /nfs/dbraw/zinc/21/60/45/473216045.db2.gz QHBBLCWIOPFAJE-UHFFFAOYSA-N -1 3 328.759 2.979 10 70 EFIEHM Cc1cc(C)c2[n-]cc(C(=O)N(C)CC(=O)NC(C)(C)C)c(=O)c2c1 ZINC000161356353 473229138 /nfs/dbraw/zinc/22/91/38/473229138.db2.gz LLILANUGEWASFI-UHFFFAOYSA-N -1 3 343.427 2.544 10 70 EFIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1nccs1 ZINC000159959122 473075517 /nfs/dbraw/zinc/07/55/17/473075517.db2.gz SIYIKZCXWIQTLR-NSHDSACASA-N -1 3 330.406 2.720 10 70 EFIEHM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000160549460 239051701 /nfs/dbraw/zinc/05/17/01/239051701.db2.gz ZCMMPYHGTHGADD-CYBMUJFWSA-N -1 3 336.391 2.937 10 70 EFIEHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CCCO1 ZINC000159794918 533184279 /nfs/dbraw/zinc/18/42/79/533184279.db2.gz DXZUMAOYWQGKQI-RNCFNFMXSA-N -1 3 343.221 2.521 10 70 EFIEHM Cc1ccc(-c2nnc(NC(=O)c3coc(Br)c3)[n-]2)o1 ZINC000160393835 544805726 /nfs/dbraw/zinc/80/57/26/544805726.db2.gz HATIWBJSDBFPHR-UHFFFAOYSA-N -1 3 337.133 2.981 10 70 EFIEHM Cc1ccc(-c2n[n-]c(NC(=O)c3coc(Br)c3)n2)o1 ZINC000160393835 544805730 /nfs/dbraw/zinc/80/57/30/544805730.db2.gz HATIWBJSDBFPHR-UHFFFAOYSA-N -1 3 337.133 2.981 10 70 EFIEHM C[C@H]1CC[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC000159459078 310687461 /nfs/dbraw/zinc/68/74/61/310687461.db2.gz XFWBRDVRFIAZJN-APPDUMDISA-N -1 3 334.375 2.939 10 70 EFIEHM COc1cc(C(=O)NCc2ccn(C3CCCC3)n2)cc(OC)c1[O-] ZINC000160615157 310700982 /nfs/dbraw/zinc/70/09/82/310700982.db2.gz MZBNJYIWCNOBIW-UHFFFAOYSA-N -1 3 345.399 2.651 10 70 EFIEHM CCCCO[C@@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161144161 473211347 /nfs/dbraw/zinc/21/13/47/473211347.db2.gz QLHPLQFIPISFRF-ZDUSSCGKSA-N -1 3 329.400 2.889 10 70 EFIEHM Cc1ccc([C@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)CCO2)o1 ZINC000161441124 473235171 /nfs/dbraw/zinc/23/51/71/473235171.db2.gz INXHFJPEKMHMOC-MRXNPFEDSA-N -1 3 334.347 2.716 10 70 EFIEHM O=C(Cn1cc(-c2ccccc2)nn1)Nc1cc(Cl)ccc1[O-] ZINC000159518295 473034009 /nfs/dbraw/zinc/03/40/09/473034009.db2.gz PMFKSTUIKRCUSF-UHFFFAOYSA-N -1 3 328.759 2.943 10 70 EFIEHM COc1cc(C)c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1OC ZINC000160423021 473120805 /nfs/dbraw/zinc/12/08/05/473120805.db2.gz RCSMJWXGDJJWIH-UHFFFAOYSA-N -1 3 342.355 2.951 10 70 EFIEHM COc1cc(C)c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1OC ZINC000160423021 473120810 /nfs/dbraw/zinc/12/08/10/473120810.db2.gz RCSMJWXGDJJWIH-UHFFFAOYSA-N -1 3 342.355 2.951 10 70 EFIEHM COc1cc(C)c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC ZINC000160423021 473120818 /nfs/dbraw/zinc/12/08/18/473120818.db2.gz RCSMJWXGDJJWIH-UHFFFAOYSA-N -1 3 342.355 2.951 10 70 EFIEHM Cn1ccnc1-c1cc(NC(=O)c2cc(F)cc3cccnc32)n[n-]1 ZINC000160896328 473188066 /nfs/dbraw/zinc/18/80/66/473188066.db2.gz IQOKXDNOOQZIEF-UHFFFAOYSA-N -1 3 336.330 2.750 10 70 EFIEHM Cn1ccnc1-c1cc(NC(=O)c2cc(F)cc3cccnc32)[n-]n1 ZINC000160896328 473188069 /nfs/dbraw/zinc/18/80/69/473188069.db2.gz IQOKXDNOOQZIEF-UHFFFAOYSA-N -1 3 336.330 2.750 10 70 EFIEHM COc1ccc2c(c1)[n-]cc(C(=O)NOCCC(F)(F)F)c2=O ZINC000160980350 473196890 /nfs/dbraw/zinc/19/68/90/473196890.db2.gz SRIAOXVSLXIXPQ-UHFFFAOYSA-N -1 3 330.262 2.563 10 70 EFIEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](C)c1ccc(C)cc1 ZINC000159688727 225261613 /nfs/dbraw/zinc/26/16/13/225261613.db2.gz YLUZUFMNMYVERF-LLVKDONJSA-N -1 3 341.864 2.772 10 70 EFIEHM Cc1cc(C[C@@H](C)NC(=O)c2ccc(Br)cc2[O-])n[nH]1 ZINC000161243134 533756037 /nfs/dbraw/zinc/75/60/37/533756037.db2.gz WPDGLRBGCOETMC-MRVPVSSYSA-N -1 3 338.205 2.547 10 70 EFIEHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)s1 ZINC000159654819 225255651 /nfs/dbraw/zinc/25/56/51/225255651.db2.gz GONFRFKLZRQPIL-QMMMGPOBSA-N -1 3 347.893 2.661 10 70 EFIEHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)C1CCOCC1 ZINC000160328933 225389149 /nfs/dbraw/zinc/38/91/49/225389149.db2.gz YJKRXHBAPBAETJ-JTQLQIEISA-N -1 3 342.233 2.834 10 70 EFIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)n1 ZINC000161185622 473216365 /nfs/dbraw/zinc/21/63/65/473216365.db2.gz CVRRFNUUJCHTAH-NSHDSACASA-N -1 3 338.194 2.878 10 70 EFIEHM Cc1noc(C)c1CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161200207 473217338 /nfs/dbraw/zinc/21/73/38/473217338.db2.gz LHQCYRFCBNGGFW-UHFFFAOYSA-N -1 3 338.367 2.531 10 70 EFIEHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2CO)c(Cl)cc1F ZINC000159743623 473056942 /nfs/dbraw/zinc/05/69/42/473056942.db2.gz HJGNMQHWHZHCQL-UHFFFAOYSA-N -1 3 343.807 2.758 10 70 EFIEHM COc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160378187 273022119 /nfs/dbraw/zinc/02/21/19/273022119.db2.gz RMCKAIYWRKLKHU-NSHDSACASA-N -1 3 342.355 2.788 10 70 EFIEHM COc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160378187 273022120 /nfs/dbraw/zinc/02/21/20/273022120.db2.gz RMCKAIYWRKLKHU-NSHDSACASA-N -1 3 342.355 2.788 10 70 EFIEHM COc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160378187 273022122 /nfs/dbraw/zinc/02/21/22/273022122.db2.gz RMCKAIYWRKLKHU-NSHDSACASA-N -1 3 342.355 2.788 10 70 EFIEHM CC[C@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1nccs1 ZINC000159925794 310692984 /nfs/dbraw/zinc/69/29/84/310692984.db2.gz OZMCTMQAZFUMPC-AWEZNQCLSA-N -1 3 348.453 2.758 10 70 EFIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2)n1 ZINC000161185730 473215729 /nfs/dbraw/zinc/21/57/29/473215729.db2.gz CVRRFNUUJCHTAH-LLVKDONJSA-N -1 3 338.194 2.878 10 70 EFIEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161461064 473236806 /nfs/dbraw/zinc/23/68/06/473236806.db2.gz UDDFWOKYDOVKQB-HTRCEHHLSA-N -1 3 332.232 2.844 10 70 EFIEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161461064 473236811 /nfs/dbraw/zinc/23/68/11/473236811.db2.gz UDDFWOKYDOVKQB-HTRCEHHLSA-N -1 3 332.232 2.844 10 70 EFIEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000161460696 473236995 /nfs/dbraw/zinc/23/69/95/473236995.db2.gz UDDFWOKYDOVKQB-XPUUQOCRSA-N -1 3 332.232 2.844 10 70 EFIEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000161460696 473237001 /nfs/dbraw/zinc/23/70/01/473237001.db2.gz UDDFWOKYDOVKQB-XPUUQOCRSA-N -1 3 332.232 2.844 10 70 EFIEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CCO[C@H](C3CC3)C1)c2=O ZINC000159392933 473024860 /nfs/dbraw/zinc/02/48/60/473024860.db2.gz QJHLMTKMUPLNBI-PXAZEXFGSA-N -1 3 342.395 2.636 10 70 EFIEHM CS(=O)(=O)c1csc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000159413517 473027165 /nfs/dbraw/zinc/02/71/65/473027165.db2.gz SAIKDGIRFNRLRM-UHFFFAOYSA-N -1 3 331.802 2.763 10 70 EFIEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(Cl)c1 ZINC000160144608 534239223 /nfs/dbraw/zinc/23/92/23/534239223.db2.gz IZUHIDPXFBDJBJ-UHFFFAOYSA-N -1 3 343.832 2.595 10 70 EFIEHM CN(C)Cc1cc(CNC(=O)NCc2ccc([O-])c(F)c2)ccc1F ZINC000160127146 225343627 /nfs/dbraw/zinc/34/36/27/225343627.db2.gz VRJUYJAUTJTDRU-UHFFFAOYSA-N -1 3 349.381 2.731 10 70 EFIEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161481968 473238819 /nfs/dbraw/zinc/23/88/19/473238819.db2.gz XMQSJYOKXHKLAW-ZYHUDNBSSA-N -1 3 341.321 2.887 10 70 EFIEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161481968 473238822 /nfs/dbraw/zinc/23/88/22/473238822.db2.gz XMQSJYOKXHKLAW-ZYHUDNBSSA-N -1 3 341.321 2.887 10 70 EFIEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161481968 473238825 /nfs/dbraw/zinc/23/88/25/473238825.db2.gz XMQSJYOKXHKLAW-ZYHUDNBSSA-N -1 3 341.321 2.887 10 70 EFIEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](OCC(C)C)C1)c2=O ZINC000161503280 473240913 /nfs/dbraw/zinc/24/09/13/473240913.db2.gz ONCOYMNTFMIAQH-CQSZACIVSA-N -1 3 344.411 2.836 10 70 EFIEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CCO[C@H](C3CC3)C1)c2=O ZINC000159393066 473024504 /nfs/dbraw/zinc/02/45/04/473024504.db2.gz QJHLMTKMUPLNBI-SJCJKPOMSA-N -1 3 342.395 2.636 10 70 EFIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(OC)c1)c1nccs1 ZINC000159977014 473076818 /nfs/dbraw/zinc/07/68/18/473076818.db2.gz RVEKTBULCHIQDJ-LLVKDONJSA-N -1 3 342.442 2.590 10 70 EFIEHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)s1 ZINC000159654686 534123894 /nfs/dbraw/zinc/12/38/94/534123894.db2.gz GONFRFKLZRQPIL-MRVPVSSYSA-N -1 3 347.893 2.661 10 70 EFIEHM O=S(=O)([N-]CCc1ccccc1O)c1ccccc1C(F)(F)F ZINC000159651945 239032814 /nfs/dbraw/zinc/03/28/14/239032814.db2.gz NNKURYBVQORQLH-UHFFFAOYSA-N -1 3 345.342 2.932 10 70 EFIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1nccs1 ZINC000159959234 473075478 /nfs/dbraw/zinc/07/54/78/473075478.db2.gz SIYIKZCXWIQTLR-LLVKDONJSA-N -1 3 330.406 2.720 10 70 EFIEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc(C(C)C)cs2)c1 ZINC000160582475 473145830 /nfs/dbraw/zinc/14/58/30/473145830.db2.gz HWIPITKRXLXHRZ-UHFFFAOYSA-N -1 3 333.413 2.861 10 70 EFIEHM CCc1cc(=O)[n-]c(CN2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000161027351 529566093 /nfs/dbraw/zinc/56/60/93/529566093.db2.gz HHNQDANSECHOHK-UHFFFAOYSA-N -1 3 332.835 2.720 10 70 EFIEHM C[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC000159458677 310687383 /nfs/dbraw/zinc/68/73/83/310687383.db2.gz XFWBRDVRFIAZJN-DIFFPNOSSA-N -1 3 334.375 2.939 10 70 EFIEHM CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1nccs1 ZINC000159941032 310692991 /nfs/dbraw/zinc/69/29/91/310692991.db2.gz IROWTKXATXAXOC-LLVKDONJSA-N -1 3 342.442 2.590 10 70 EFIEHM CCc1cc(=O)[n-]c(CN(Cc2cc(OC)ccc2OC)C2CC2)n1 ZINC000160776456 310702783 /nfs/dbraw/zinc/70/27/83/310702783.db2.gz DKLPMUIIWWUBBA-UHFFFAOYSA-N -1 3 343.427 2.926 10 70 EFIEHM CCCN1CCC[C@@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161147212 473212265 /nfs/dbraw/zinc/21/22/65/473212265.db2.gz DKEDEBMXMYYPGE-MRXNPFEDSA-N -1 3 340.427 2.558 10 70 EFIEHM Cc1ccc([C@@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)CCO2)o1 ZINC000161441018 473235292 /nfs/dbraw/zinc/23/52/92/473235292.db2.gz INXHFJPEKMHMOC-INIZCTEOSA-N -1 3 334.347 2.716 10 70 EFIEHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cnc(C(F)(F)F)nc1 ZINC000160511906 473135272 /nfs/dbraw/zinc/13/52/72/473135272.db2.gz VWPLSRLSIXFKQP-UHFFFAOYSA-N -1 3 340.309 2.844 10 70 EFIEHM Cc1ccc(C(=O)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000161184283 310706989 /nfs/dbraw/zinc/70/69/89/310706989.db2.gz ZGCJLLYFUWLZGC-UHFFFAOYSA-N -1 3 347.374 2.875 10 70 EFIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN(C)c3ccccc3)cc2)n1 ZINC000161144913 473211808 /nfs/dbraw/zinc/21/18/08/473211808.db2.gz BIJVTVIOACBPMP-UHFFFAOYSA-N -1 3 348.406 2.820 10 70 EFIEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CCO[C@@H](C3CC3)C1)c2=O ZINC000159393323 473024166 /nfs/dbraw/zinc/02/41/66/473024166.db2.gz QJHLMTKMUPLNBI-YVEFUNNKSA-N -1 3 342.395 2.636 10 70 EFIEHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1nccs1 ZINC000159940904 473074981 /nfs/dbraw/zinc/07/49/81/473074981.db2.gz IROWTKXATXAXOC-NSHDSACASA-N -1 3 342.442 2.590 10 70 EFIEHM CC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160184140 473095593 /nfs/dbraw/zinc/09/55/93/473095593.db2.gz JATSOHITIWXDCH-UHFFFAOYSA-N -1 3 325.328 2.584 10 70 EFIEHM CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160184140 473095599 /nfs/dbraw/zinc/09/55/99/473095599.db2.gz JATSOHITIWXDCH-UHFFFAOYSA-N -1 3 325.328 2.584 10 70 EFIEHM CC(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160184140 473095601 /nfs/dbraw/zinc/09/56/01/473095601.db2.gz JATSOHITIWXDCH-UHFFFAOYSA-N -1 3 325.328 2.584 10 70 EFIEHM Cn1ccnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000160802619 473176600 /nfs/dbraw/zinc/17/66/00/473176600.db2.gz BSJMZXHUOYBYSU-UHFFFAOYSA-N -1 3 348.834 2.630 10 70 EFIEHM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000160549329 534234934 /nfs/dbraw/zinc/23/49/34/534234934.db2.gz ZCMMPYHGTHGADD-ZDUSSCGKSA-N -1 3 336.391 2.937 10 70 EFIEHM COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c1[O-] ZINC000160307963 533420007 /nfs/dbraw/zinc/42/00/07/533420007.db2.gz AWECFWWTNPLMAW-UHFFFAOYSA-N -1 3 340.379 2.952 10 70 EFIEHM COCc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)o1 ZINC000161192669 544811467 /nfs/dbraw/zinc/81/14/67/544811467.db2.gz OJNVTTFRHFRHJU-UHFFFAOYSA-N -1 3 339.351 2.737 10 70 EFIEHM COc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160378099 273022099 /nfs/dbraw/zinc/02/20/99/273022099.db2.gz RMCKAIYWRKLKHU-LLVKDONJSA-N -1 3 342.355 2.788 10 70 EFIEHM COc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160378099 273022100 /nfs/dbraw/zinc/02/21/00/273022100.db2.gz RMCKAIYWRKLKHU-LLVKDONJSA-N -1 3 342.355 2.788 10 70 EFIEHM COc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160378099 273022101 /nfs/dbraw/zinc/02/21/01/273022101.db2.gz RMCKAIYWRKLKHU-LLVKDONJSA-N -1 3 342.355 2.788 10 70 EFIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)c1nccs1 ZINC000159914740 310692918 /nfs/dbraw/zinc/69/29/18/310692918.db2.gz UASIXNNOFUOTOL-ZDUSSCGKSA-N -1 3 339.442 2.531 10 70 EFIEHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)C1CCOCC1 ZINC000160329075 533284053 /nfs/dbraw/zinc/28/40/53/533284053.db2.gz YJKRXHBAPBAETJ-SNVBAGLBSA-N -1 3 342.233 2.834 10 70 EFIEHM CCCN1CCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161147328 473211865 /nfs/dbraw/zinc/21/18/65/473211865.db2.gz DKEDEBMXMYYPGE-INIZCTEOSA-N -1 3 340.427 2.558 10 70 EFIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc4c[nH]nc43)cc2)n1 ZINC000161183748 473215153 /nfs/dbraw/zinc/21/51/53/473215153.db2.gz LXNAYQDKRPTYIW-UHFFFAOYSA-N -1 3 345.362 2.874 10 70 EFIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)n1 ZINC000161183748 473215158 /nfs/dbraw/zinc/21/51/58/473215158.db2.gz LXNAYQDKRPTYIW-UHFFFAOYSA-N -1 3 345.362 2.874 10 70 EFIEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000161482245 473239180 /nfs/dbraw/zinc/23/91/80/473239180.db2.gz XMQSJYOKXHKLAW-CMPLNLGQSA-N -1 3 341.321 2.887 10 70 EFIEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000161482245 473239185 /nfs/dbraw/zinc/23/91/85/473239185.db2.gz XMQSJYOKXHKLAW-CMPLNLGQSA-N -1 3 341.321 2.887 10 70 EFIEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000161482245 473239188 /nfs/dbraw/zinc/23/91/88/473239188.db2.gz XMQSJYOKXHKLAW-CMPLNLGQSA-N -1 3 341.321 2.887 10 70 EFIEHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CCCO1 ZINC000159794786 533656524 /nfs/dbraw/zinc/65/65/24/533656524.db2.gz DXZUMAOYWQGKQI-ZANVPECISA-N -1 3 343.221 2.521 10 70 EFIEHM CCCCO[C@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161144286 473211037 /nfs/dbraw/zinc/21/10/37/473211037.db2.gz QLHPLQFIPISFRF-CYBMUJFWSA-N -1 3 329.400 2.889 10 70 EFIEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000161460930 473237218 /nfs/dbraw/zinc/23/72/18/473237218.db2.gz UDDFWOKYDOVKQB-POYBYMJQSA-N -1 3 332.232 2.844 10 70 EFIEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000161460930 473237222 /nfs/dbraw/zinc/23/72/22/473237222.db2.gz UDDFWOKYDOVKQB-POYBYMJQSA-N -1 3 332.232 2.844 10 70 EFIEHM C[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC000159458937 473030000 /nfs/dbraw/zinc/03/00/00/473030000.db2.gz XFWBRDVRFIAZJN-PIGZYNQJSA-N -1 3 334.375 2.939 10 70 EFIEHM C[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC000159458819 473030070 /nfs/dbraw/zinc/03/00/70/473030070.db2.gz XFWBRDVRFIAZJN-GTNSWQLSSA-N -1 3 334.375 2.939 10 70 EFIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(OC)c1)c1nccs1 ZINC000159976884 473076966 /nfs/dbraw/zinc/07/69/66/473076966.db2.gz RVEKTBULCHIQDJ-NSHDSACASA-N -1 3 342.442 2.590 10 70 EFIEHM