smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000001002774 132234828 /nfs/dbraw/zinc/23/48/28/132234828.db2.gz NWBJDIQPYSPVCC-UHFFFAOYSA-N 0 0 423.256 3.384 50 0 HGAARN CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000001068962 132236275 /nfs/dbraw/zinc/23/62/75/132236275.db2.gz RMIQTQJRQFAJKF-UHFFFAOYSA-N 0 0 416.572 3.324 50 0 HGAARN CCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc32)ccc1N1CCOCC1 ZINC000001134653 132238595 /nfs/dbraw/zinc/23/85/95/132238595.db2.gz BDTVDIQAIFPRKL-UHFFFAOYSA-N 0 0 406.486 3.176 50 0 HGAARN O=c1c(Cl)c(N2CCN(c3ccccn3)CC2)cnn1-c1nc2ccccc2s1 ZINC000002352406 132252998 /nfs/dbraw/zinc/25/29/98/132252998.db2.gz DOLHZLDUFLLZCO-UHFFFAOYSA-N 0 0 424.917 3.217 50 0 HGAARN O=C(CCCc1nc2ccccc2s1)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000002647480 132256483 /nfs/dbraw/zinc/25/64/83/132256483.db2.gz RJVUILKLESHVOI-UHFFFAOYSA-N 0 0 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568431007 /nfs/dbraw/zinc/43/10/07/568431007.db2.gz NKPDGTGBVDJVHO-LURJTMIESA-N 0 0 414.072 3.260 50 0 HGAARN O=C(COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)NC1CCCC1 ZINC000047770321 568431019 /nfs/dbraw/zinc/43/10/19/568431019.db2.gz CTYCQLSUPFNDPR-MRXNPFEDSA-N 0 0 413.301 3.200 50 0 HGAARN O=C(NCc1cccnc1N1CCOCC1)Nc1cccc(OCc2ccncc2)c1 ZINC000048209221 568432443 /nfs/dbraw/zinc/43/24/43/568432443.db2.gz VGEDOGJGEXZFCF-UHFFFAOYSA-N 0 0 419.485 3.214 50 0 HGAARN O=C(CCCc1nc(-c2cccs2)no1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000048248066 568433196 /nfs/dbraw/zinc/43/31/96/568433196.db2.gz XWEUSXXNXWBQGV-UHFFFAOYSA-N 0 0 414.487 3.135 50 0 HGAARN C[C@@H](C(=O)Nc1cccc(NC(=O)c2csc(-c3cnn(C)c3)n2)c1)n1cccn1 ZINC000048248082 568433253 /nfs/dbraw/zinc/43/32/53/568433253.db2.gz PMVDFCUGCFDYKW-ZDUSSCGKSA-N 0 0 421.486 3.192 50 0 HGAARN Cc1occc1C(=O)Nc1cc(NC(=O)N[C@H](C)CN2CCCC2=O)ccc1F ZINC000048260879 568433587 /nfs/dbraw/zinc/43/35/87/568433587.db2.gz HGHRJQCFNJIFSH-GFCCVEGCSA-N 0 0 402.426 3.112 50 0 HGAARN CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000048263763 568433787 /nfs/dbraw/zinc/43/37/87/568433787.db2.gz HRSQDDDPJUJEPN-CYBMUJFWSA-N 0 0 415.877 3.169 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)Oc2ccccc2)CC1 ZINC000048265424 568433958 /nfs/dbraw/zinc/43/39/58/568433958.db2.gz VUCSLOUCOWQMEE-UHFFFAOYSA-N 0 0 403.866 3.104 50 0 HGAARN CCOc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc12 ZINC000048289403 568434910 /nfs/dbraw/zinc/43/49/10/568434910.db2.gz RJJLBVWMYCQSDB-IAGOWNOFSA-N 0 0 406.548 3.016 50 0 HGAARN O=S(=O)(NC1(c2ccc(Br)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000048277625 568435738 /nfs/dbraw/zinc/43/57/38/568435738.db2.gz NAMZNQHLSPOIAY-UHFFFAOYSA-N 0 0 410.289 3.188 50 0 HGAARN Cc1oc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000048303215 568436142 /nfs/dbraw/zinc/43/61/42/568436142.db2.gz NJTIDPHTTWIZEM-UHFFFAOYSA-N 0 0 400.460 3.015 50 0 HGAARN Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)N(C)C2CCCCC2)c1 ZINC000048299802 568437236 /nfs/dbraw/zinc/43/72/36/568437236.db2.gz XQDIXKXYXFTMJY-KRWDZBQOSA-N 0 0 403.548 3.442 50 0 HGAARN CSc1nc(C)c(CCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(C)n1 ZINC000048332246 568440003 /nfs/dbraw/zinc/44/00/03/568440003.db2.gz VSJXYJRHAROPOF-ZIAGYGMSSA-N 0 0 415.563 3.395 50 0 HGAARN Cc1cc(NC(=O)CSCC(=O)NCC2(c3ccc(F)cc3)CCCC2)no1 ZINC000048332351 568440059 /nfs/dbraw/zinc/44/00/59/568440059.db2.gz RHGYZSNWQXSXSZ-UHFFFAOYSA-N 0 0 405.495 3.422 50 0 HGAARN COc1ccc(OC)c(S(=O)(=O)N2CCN([C@H](C)CCc3ccccc3)CC2)c1 ZINC000048332466 568440139 /nfs/dbraw/zinc/44/01/39/568440139.db2.gz GMIKNWCUNYJBDY-GOSISDBHSA-N 0 0 418.559 3.031 50 0 HGAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCN(c2ccccc2O)CC1 ZINC000048339975 568440161 /nfs/dbraw/zinc/44/01/61/568440161.db2.gz UAAYRRWCMZOBMM-UHFFFAOYSA-N 0 0 402.878 3.098 50 0 HGAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000048355103 568441376 /nfs/dbraw/zinc/44/13/76/568441376.db2.gz ASXVEHWJAYDBCT-QGZVFWFLSA-N 0 0 415.559 3.036 50 0 HGAARN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000048355836 568441524 /nfs/dbraw/zinc/44/15/24/568441524.db2.gz VPTSTPCZCMYDGZ-JOCHJYFZSA-N 0 0 407.493 3.386 50 0 HGAARN Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)NC3CCCC3)c2n1 ZINC000049002027 568443865 /nfs/dbraw/zinc/44/38/65/568443865.db2.gz SMQVBLTUDVKOEO-UHFFFAOYSA-N 0 0 404.470 3.016 50 0 HGAARN COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)cc1Cl)CC3 ZINC000048987841 568444057 /nfs/dbraw/zinc/44/40/57/568444057.db2.gz DQQPNUIQMLRNAA-UHFFFAOYSA-N 0 0 411.889 3.495 50 0 HGAARN COCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000049006509 568444829 /nfs/dbraw/zinc/44/48/29/568444829.db2.gz IMUMNAZWJIHAFE-UHFFFAOYSA-N 0 0 421.501 3.168 50 0 HGAARN CCc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)c1 ZINC000049008572 568445220 /nfs/dbraw/zinc/44/52/20/568445220.db2.gz ZQBVHUIZNNWBQQ-UHFFFAOYSA-N 0 0 403.442 3.193 50 0 HGAARN COc1cccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2-c2cccnc2)c1 ZINC000049003553 568446430 /nfs/dbraw/zinc/44/64/30/568446430.db2.gz DVPUJPDBWQPDGE-UHFFFAOYSA-N 0 0 403.417 3.407 50 0 HGAARN CSc1ccc(-c2noc(Cn3ncn4nc(-c5cccs5)cc4c3=O)n2)cc1 ZINC000049004372 568446732 /nfs/dbraw/zinc/44/67/32/568446732.db2.gz LCWNTTGTTDZPCU-UHFFFAOYSA-N 0 0 422.495 3.440 50 0 HGAARN Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1C ZINC000049405900 568448798 /nfs/dbraw/zinc/44/87/98/568448798.db2.gz VCKFVNCDTDPILQ-UHFFFAOYSA-N 0 0 417.513 3.227 50 0 HGAARN Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)c1 ZINC000049406359 568448943 /nfs/dbraw/zinc/44/89/43/568448943.db2.gz FOHUVNUGXWANEW-UHFFFAOYSA-N 0 0 417.513 3.227 50 0 HGAARN COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)c2cccc(Cl)c2N3)c1 ZINC000049410075 568449822 /nfs/dbraw/zinc/44/98/22/568449822.db2.gz ILMFQUWGFIDCCL-UHFFFAOYSA-N 0 0 415.877 3.145 50 0 HGAARN O=C(NCCC1=CCCCC1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000049422320 568450797 /nfs/dbraw/zinc/45/07/97/568450797.db2.gz JBOWIHCNGFCVIG-UHFFFAOYSA-N 0 0 403.482 3.358 50 0 HGAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@@H]2c1ccc(F)cc1 ZINC000049548148 568451552 /nfs/dbraw/zinc/45/15/52/568451552.db2.gz XZPCWUOOUMFVGA-MRXNPFEDSA-N 0 0 412.442 3.422 50 0 HGAARN CSc1ncccc1C(=O)N1CCC(CNC(=O)c2c(C)nc3ccccn32)CC1 ZINC000049523534 568452324 /nfs/dbraw/zinc/45/23/24/568452324.db2.gz WDUQQDZXDTWRPW-UHFFFAOYSA-N 0 0 423.542 3.042 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCCc2nc(C(C)C)no2)cc1 ZINC000049748724 568453379 /nfs/dbraw/zinc/45/33/79/568453379.db2.gz FYNVFAHOHWYOIY-KRWDZBQOSA-N 0 0 400.479 3.154 50 0 HGAARN Cc1cnc2c(cccc2S(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000049983415 568453612 /nfs/dbraw/zinc/45/36/12/568453612.db2.gz QTRJPUTUXFPOES-UHFFFAOYSA-N 0 0 405.520 3.221 50 0 HGAARN O=C(NC1CCC(O)CC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000049909114 568453705 /nfs/dbraw/zinc/45/37/05/568453705.db2.gz AESWFNDMGQXHNF-UHFFFAOYSA-N 0 0 405.848 3.390 50 0 HGAARN Cc1ccc(C)c(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)c1 ZINC000005188974 568455297 /nfs/dbraw/zinc/45/52/97/568455297.db2.gz IJYQBOJUBFYFJU-UHFFFAOYSA-N 0 0 405.863 3.419 50 0 HGAARN COCC(=O)Nc1cc(CNC(=O)c2ccc3ccccc3c2)cc(C(=O)OC)c1 ZINC000012244478 568455777 /nfs/dbraw/zinc/45/57/77/568455777.db2.gz WXLZCJZIQKIIMZ-UHFFFAOYSA-N 0 0 406.438 3.141 50 0 HGAARN O=C1NC(=S)N(S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1Cc1ccccc1 ZINC000000631307 568456384 /nfs/dbraw/zinc/45/63/84/568456384.db2.gz UQQLIXXVKLXGQU-ZDUSSCGKSA-N 0 0 415.323 3.010 50 0 HGAARN CCOC(=O)C1=C(C)Oc2nc(N(C)C)nc(Cl)c2[C@H]1c1ccc2c(c1)OCO2 ZINC000000632415 568456609 /nfs/dbraw/zinc/45/66/09/568456609.db2.gz REOGCHYXBRLYQW-HNNXBMFYSA-N 0 0 417.849 3.286 50 0 HGAARN CCc1c(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000024690556 568456825 /nfs/dbraw/zinc/45/68/25/568456825.db2.gz MHWRJUSVSOWJFG-IYBDPMFKSA-N 0 0 402.514 3.191 50 0 HGAARN O=c1c2c3c(sc2nc(S[C@@H]2CCCCNC2=O)n1Cc1ccco1)CCC3 ZINC000012271270 568457152 /nfs/dbraw/zinc/45/71/52/568457152.db2.gz VQUYXUBTUWKZQE-OAHLLOKOSA-N 0 0 415.540 3.349 50 0 HGAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000020760629 568458070 /nfs/dbraw/zinc/45/80/70/568458070.db2.gz HTMQNXKFVOHCKH-FQEVSTJZSA-N 0 0 420.425 3.105 50 0 biogenic HGAARN CC[C@H](C)[C@H]1Nc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2NC1=O ZINC000006785550 568459358 /nfs/dbraw/zinc/45/93/58/568459358.db2.gz OSWRUSXFALPJJX-LHSJRXKWSA-N 0 0 411.502 3.455 50 0 biogenic HGAARN CCOc1ccccc1CNC(=O)[C@H](C)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006794354 568459470 /nfs/dbraw/zinc/45/94/70/568459470.db2.gz JIOGQKAOWHSHMA-INIZCTEOSA-N 0 0 404.470 3.234 50 0 HGAARN C[C@@]12NC(=S)N[C@@H](c3cc(Br)ccc3O1)[C@H]2C(=O)Nc1ccccc1 ZINC000000689357 568461850 /nfs/dbraw/zinc/46/18/50/568461850.db2.gz TWSWFATZOVQBPS-RLFYNMQTSA-N 0 0 418.316 3.331 50 0 HGAARN C[C@@]12NC(=S)N[C@@H](c3cc(Br)ccc3O1)[C@@H]2C(=O)Nc1ccccc1 ZINC000000689355 568461935 /nfs/dbraw/zinc/46/19/35/568461935.db2.gz TWSWFATZOVQBPS-RVKKMQEKSA-N 0 0 418.316 3.331 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000012296883 568462497 /nfs/dbraw/zinc/46/24/97/568462497.db2.gz JXMKWPQOGZILFC-UHFFFAOYSA-N 0 0 419.485 3.223 50 0 biogenic HGAARN CCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 ZINC000021708369 568467750 /nfs/dbraw/zinc/46/77/50/568467750.db2.gz CVYZBWIPROJNST-UHFFFAOYSA-N 0 0 409.486 3.313 50 0 HGAARN O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccccn2)N1CCCc1ccccc1 ZINC000012323137 568471251 /nfs/dbraw/zinc/47/12/51/568471251.db2.gz OHFHLWCPEHZFDL-FYYLOGMGSA-N 0 0 408.523 3.363 50 0 HGAARN CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2 ZINC000000755463 568472383 /nfs/dbraw/zinc/47/23/83/568472383.db2.gz AQNATJNPEUUWLR-LBPRGKRZSA-N 0 0 406.529 3.323 50 0 HGAARN CCOc1ccc(OCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000007699015 568483515 /nfs/dbraw/zinc/48/35/15/568483515.db2.gz OQOVXLFENLXLMB-UHFFFAOYSA-N 0 0 418.515 3.277 50 0 HGAARN Cc1nn(C)c(C)c1/C=C/C(=O)OCc1cc2c(cc1Br)OCCO2 ZINC000005774412 568487200 /nfs/dbraw/zinc/48/72/00/568487200.db2.gz DJRCOIYKZYXIRU-SNAWJCMRSA-N 0 0 407.264 3.327 50 0 HGAARN NC(=O)NC(=O)[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 ZINC000008156779 568491820 /nfs/dbraw/zinc/49/18/20/568491820.db2.gz ZUPHHIPFFFGYEA-QGZVFWFLSA-N 0 0 407.499 3.232 50 0 HGAARN COc1cc([C@H]2c3cn(C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1O ZINC000604404213 568492281 /nfs/dbraw/zinc/49/22/81/568492281.db2.gz LMUIBAVGVQZYPE-FQEVSTJZSA-N 0 0 403.438 3.093 50 0 biogenic HGAARN COC(=O)c1ccc([C@H]2c3cn(C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000604405751 568492643 /nfs/dbraw/zinc/49/26/43/568492643.db2.gz VHCWNYOEPCJHQN-FQEVSTJZSA-N 0 0 415.449 3.165 50 0 biogenic HGAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000390829618 568492768 /nfs/dbraw/zinc/49/27/68/568492768.db2.gz FKQPOAPGDSQCCH-GOSISDBHSA-N 0 0 401.513 3.140 50 0 HGAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000823559 568498824 /nfs/dbraw/zinc/49/88/24/568498824.db2.gz RGYMORXGQYQPKE-OAHLLOKOSA-N 0 0 411.252 3.005 50 0 HGAARN 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O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCCc1ccccc1 ZINC000003552114 568914999 /nfs/dbraw/zinc/91/49/99/568914999.db2.gz KZWGRBQJUORZGK-UHFFFAOYSA-N 0 0 419.506 3.489 50 0 HGAARN CCOC(=O)CNc1nc(C(C)(C)C)nc2c1nnn2Cc1ccccc1Cl ZINC000001331197 568915143 /nfs/dbraw/zinc/91/51/43/568915143.db2.gz LRNLOKTWTOHGOL-UHFFFAOYSA-N 0 0 402.886 3.196 50 0 HGAARN COCC(=O)Nc1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000031138618 568915300 /nfs/dbraw/zinc/91/53/00/568915300.db2.gz XMGYEUXUQABUNW-UHFFFAOYSA-N 0 0 410.211 3.128 50 0 HGAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@@H]1CCCC1=O ZINC000003562606 568916035 /nfs/dbraw/zinc/91/60/35/568916035.db2.gz HADXLKOVGDHALV-HXUWFJFHSA-N 0 0 407.422 3.160 50 0 HGAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000004468884 568917554 /nfs/dbraw/zinc/91/75/54/568917554.db2.gz VMOPRANTSMRQRD-HXUWFJFHSA-N 0 0 401.825 3.201 50 0 HGAARN C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(=O)NC1CCCC1 ZINC000012716434 568917893 /nfs/dbraw/zinc/91/78/93/568917893.db2.gz IKONSJLMRMXHLI-AWEZNQCLSA-N 0 0 402.878 3.154 50 0 HGAARN COC[C@@H](C)n1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O ZINC000003590454 568918153 /nfs/dbraw/zinc/91/81/53/568918153.db2.gz IWKMBHVXNXMOBA-CYBMUJFWSA-N 0 0 403.529 3.074 50 0 HGAARN CCn1cnnc1C1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000083843651 568918230 /nfs/dbraw/zinc/91/82/30/568918230.db2.gz VTALGHHRBMRFAH-AWEZNQCLSA-N 0 0 420.355 3.117 50 0 HGAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2cccc(C)c2C)c3=O)cc1C ZINC000004166082 568919060 /nfs/dbraw/zinc/91/90/60/568919060.db2.gz UQNLVGBMNGQXRJ-UHFFFAOYSA-N 0 0 401.470 3.455 50 0 HGAARN Cc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)cc1 ZINC000004166429 568919068 /nfs/dbraw/zinc/91/90/68/568919068.db2.gz DVOUVGIINOSPPH-UHFFFAOYSA-N 0 0 408.462 3.448 50 0 HGAARN CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)cc1 ZINC000004166861 568919404 /nfs/dbraw/zinc/91/94/04/568919404.db2.gz KZSBCKVFKBBPMT-UHFFFAOYSA-N 0 0 401.513 3.290 50 0 HGAARN COc1ccc(S(=O)(=O)N(C(=O)C(C)C)c2ccc3oc(=O)sc3c2)cc1 ZINC000003654190 568922733 /nfs/dbraw/zinc/92/27/33/568922733.db2.gz GZLHLLZGYGLBJC-UHFFFAOYSA-N 0 0 407.469 3.241 50 0 HGAARN CCS(=O)(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000003656785 568922959 /nfs/dbraw/zinc/92/29/59/568922959.db2.gz CMQBZIUYENCEJD-KRWDZBQOSA-N 0 0 409.305 3.142 50 0 HGAARN C[C@@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000001388663 568923201 /nfs/dbraw/zinc/92/32/01/568923201.db2.gz JFRLJFSARJMTRB-QGZVFWFLSA-N 0 0 402.299 3.298 50 0 HGAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000012734764 568923533 /nfs/dbraw/zinc/92/35/33/568923533.db2.gz XVJWULFPKVWARA-XMSQKQJNSA-N 0 0 423.513 3.129 50 0 HGAARN CCC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012735163 568923753 /nfs/dbraw/zinc/92/37/53/568923753.db2.gz ZMZLKWFPGOJSDC-CYBMUJFWSA-N 0 0 417.369 3.155 50 0 HGAARN COC(=O)c1cccc2c1CCCN2S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000083897443 568923870 /nfs/dbraw/zinc/92/38/70/568923870.db2.gz GHKMXULMPCRAKP-UHFFFAOYSA-N 0 0 400.431 3.302 50 0 HGAARN CCCCOC(=O)n1c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2oc1=O ZINC000003667862 568924299 /nfs/dbraw/zinc/92/42/99/568924299.db2.gz LHKGQZMWTMWZOQ-UHFFFAOYSA-N 0 0 404.444 3.489 50 0 biogenic HGAARN CCOc1cc2c(cc1CNC(=O)c1c(C)[nH]sc1=NC(=O)OC)O[C@H](C)C2 ZINC000012739211 568925681 /nfs/dbraw/zinc/92/56/81/568925681.db2.gz YLDANPINQFBACY-SNVBAGLBSA-N 0 0 405.476 3.282 50 0 HGAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000016625328 568928811 /nfs/dbraw/zinc/92/88/11/568928811.db2.gz NEHFCLAVWHUQHW-UHFFFAOYSA-N 0 0 417.465 3.439 50 0 HGAARN Cc1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)c2nc3n(c2n1)CCCCC3 ZINC000012741066 568928963 /nfs/dbraw/zinc/92/89/63/568928963.db2.gz LDHKMTBEDPJRRQ-UHFFFAOYSA-N 0 0 415.501 3.036 50 0 HGAARN C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000012746454 568932552 /nfs/dbraw/zinc/93/25/52/568932552.db2.gz NQOWDJSOLCEZMK-NSHDSACASA-N 0 0 409.269 3.372 50 0 HGAARN COc1ccc(COn2c(=O)c(-c3cccs3)[n+]([O-])c3ccccc32)cc1OC ZINC000001413081 568933263 /nfs/dbraw/zinc/93/32/63/568933263.db2.gz ZEFVMPVCNRDKOY-UHFFFAOYSA-N 0 0 410.451 3.009 50 0 HGAARN COc1ccc2cc(C(=O)N3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)c(C)nc2c1 ZINC000084028614 568933308 /nfs/dbraw/zinc/93/33/08/568933308.db2.gz QFMZECXBXQTKHX-IBGZPJMESA-N 0 0 408.454 3.258 50 0 HGAARN O=C(Cn1cnc2sccc2c1=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000012747356 568933483 /nfs/dbraw/zinc/93/34/83/568933483.db2.gz ULNFGJHUBFBIJE-UHFFFAOYSA-N 0 0 404.423 3.498 50 0 HGAARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSCC(N)=O ZINC000004026625 568933957 /nfs/dbraw/zinc/93/39/57/568933957.db2.gz ZKNXKMBLZGFNHY-IPVLWXBJSA-N 0 0 419.587 3.037 50 0 biogenic HGAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccccc3Cl)n2)ccc1C ZINC000016648639 568935425 /nfs/dbraw/zinc/93/54/25/568935425.db2.gz GIVBZROLJUHXKQ-UHFFFAOYSA-N 0 0 410.861 3.469 50 0 HGAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)ccc1C ZINC000016661465 568935661 /nfs/dbraw/zinc/93/56/61/568935661.db2.gz XPTNNCIREOXXQH-UHFFFAOYSA-N 0 0 410.861 3.469 50 0 HGAARN COc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCc2cccnc2)c(OC)c1 ZINC000004057658 568936769 /nfs/dbraw/zinc/93/67/69/568936769.db2.gz MCBONUYFUOQMFG-QFIPXVFZSA-N 0 0 417.465 3.112 50 0 HGAARN COc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2OC)o1 ZINC000004076935 568938245 /nfs/dbraw/zinc/93/82/45/568938245.db2.gz WMTKBUGJFUWMCN-UHFFFAOYSA-N 0 0 415.467 3.201 50 0 HGAARN CC1(C)Cc2c(sc3c2c(=O)n(CCc2ccccc2)c2nnc(S)n32)CO1 ZINC000001425824 568939128 /nfs/dbraw/zinc/93/91/28/568939128.db2.gz DZDLSEWLAUQCOB-UHFFFAOYSA-N 0 0 412.540 3.488 50 0 HGAARN CCCN1CC(=O)N2[C@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004081979 568939148 /nfs/dbraw/zinc/93/91/48/568939148.db2.gz RUZMHLJJQDFKOZ-WMZHIEFXSA-N 0 0 403.482 3.271 50 0 biogenic HGAARN COc1ccccc1NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 ZINC000001427138 568939424 /nfs/dbraw/zinc/93/94/24/568939424.db2.gz HHMPDCSHUCHRDX-UHFFFAOYSA-N 0 0 406.467 3.104 50 0 HGAARN CC(C)Oc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCCC3)s2)cc1 ZINC000004087965 568941138 /nfs/dbraw/zinc/94/11/38/568941138.db2.gz RTVVAQMRFWLXNK-UHFFFAOYSA-N 0 0 406.533 3.292 50 0 HGAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)c1cc2c3ccccc3[nH]c2c(C)n1 ZINC000004088821 568941277 /nfs/dbraw/zinc/94/12/77/568941277.db2.gz YWQAJHJAGJMEQC-HNNXBMFYSA-N 0 0 416.481 3.468 50 0 biogenic HGAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCN3CCCC3=O)c(C)c21 ZINC000004090071 568941861 /nfs/dbraw/zinc/94/18/61/568941861.db2.gz ABFLQNFYUZSMJY-UHFFFAOYSA-N 0 0 410.470 3.136 50 0 biogenic HGAARN O=C(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000012753453 568941913 /nfs/dbraw/zinc/94/19/13/568941913.db2.gz HJWVXOKTPKGGER-AWEZNQCLSA-N 0 0 412.870 3.189 50 0 HGAARN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000084183198 568942278 /nfs/dbraw/zinc/94/22/78/568942278.db2.gz OFIVWEIQZOLWCR-OAHLLOKOSA-N 0 0 414.525 3.208 50 0 HGAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn32)cc1 ZINC000004102060 568942898 /nfs/dbraw/zinc/94/28/98/568942898.db2.gz NELGAWQAPWTPIT-UHFFFAOYSA-N 0 0 409.471 3.192 50 0 HGAARN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000012757421 568943097 /nfs/dbraw/zinc/94/30/97/568943097.db2.gz JXLGGVQXUAKJAK-IBGZPJMESA-N 0 0 420.513 3.465 50 0 HGAARN COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(c1=O)S[C@@H](C)C2 ZINC000004108030 568943729 /nfs/dbraw/zinc/94/37/29/568943729.db2.gz CDGQLMFLEAAJFL-AWEZNQCLSA-N 0 0 419.572 3.274 50 0 HGAARN O=C(NC1CCCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000012760097 568943921 /nfs/dbraw/zinc/94/39/21/568943921.db2.gz ZURJUZXMSBHQRF-INIZCTEOSA-N 0 0 415.353 3.051 50 0 HGAARN COc1ccc(CCC2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000012760098 568944080 /nfs/dbraw/zinc/94/40/80/568944080.db2.gz OTFNZKFCCSYUGQ-UHFFFAOYSA-N 0 0 417.531 3.219 50 0 HGAARN Cc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000012760184 568944086 /nfs/dbraw/zinc/94/40/86/568944086.db2.gz FUYVYYIYVIZUIU-UHFFFAOYSA-N 0 0 401.532 3.169 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 ZINC000012760865 568945266 /nfs/dbraw/zinc/94/52/66/568945266.db2.gz GCFQHXHJUODBJS-LJQANCHMSA-N 0 0 415.559 3.032 50 0 HGAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O ZINC000012761645 568945980 /nfs/dbraw/zinc/94/59/80/568945980.db2.gz FOAYCALWPWTOLO-UHFFFAOYSA-N 0 0 424.888 3.180 50 0 HGAARN CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000012763406 568947069 /nfs/dbraw/zinc/94/70/69/568947069.db2.gz JFCYDBQMYBDCJS-MRXNPFEDSA-N 0 0 401.513 3.182 50 0 HGAARN NC(=O)[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc(Br)c1 ZINC000084363266 568947476 /nfs/dbraw/zinc/94/74/76/568947476.db2.gz ZEOKSAVUYKAXLC-NSHDSACASA-N 0 0 403.063 3.107 50 0 HGAARN Cc1noc(C)c1COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004163293 568947769 /nfs/dbraw/zinc/94/77/69/568947769.db2.gz KCSIADTXTARWNM-UHFFFAOYSA-N 0 0 406.504 3.142 50 0 HGAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCNC(=O)C(C)(C)C)cc1 ZINC000012765253 568948109 /nfs/dbraw/zinc/94/81/09/568948109.db2.gz PVRUPPZPKGYLOD-IYBDPMFKSA-N 0 0 423.579 3.129 50 0 HGAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 ZINC000012765497 568948157 /nfs/dbraw/zinc/94/81/57/568948157.db2.gz FSZVJKORMXTIRN-PKOBYXMFSA-N 0 0 421.497 3.207 50 0 HGAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012765934 568948214 /nfs/dbraw/zinc/94/82/14/568948214.db2.gz GAPMBFKBAUWRJC-UHFFFAOYSA-N 0 0 418.559 3.060 50 0 HGAARN O=C(N[C@H]1CCSc2c(F)cccc21)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000084445655 568949174 /nfs/dbraw/zinc/94/91/74/568949174.db2.gz XAVDCCOGEYTXSR-LBPRGKRZSA-N 0 0 420.409 3.481 50 0 HGAARN Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000012767465 568949403 /nfs/dbraw/zinc/94/94/03/568949403.db2.gz OSKWBRHTUQDUPI-UHFFFAOYSA-N 0 0 416.543 3.239 50 0 HGAARN CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000012770120 568950610 /nfs/dbraw/zinc/95/06/10/568950610.db2.gz YDLMHTWXUIDRRD-UHFFFAOYSA-N 0 0 405.476 3.111 50 0 HGAARN O=C(NCc1nnc(-c2ccccc2)[nH]1)c1c(F)cccc1I ZINC000084564671 568951063 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CCOc1ccccc1CNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000035397012 569034763 /nfs/dbraw/zinc/03/47/63/569034763.db2.gz VKQOIDGMPLINNS-UHFFFAOYSA-N 0 0 418.497 3.384 50 0 HGAARN COC(=O)c1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C(=O)OC)c1C ZINC000006254227 569035338 /nfs/dbraw/zinc/03/53/38/569035338.db2.gz YGPZKYVASBMWQJ-FNORWQNLSA-N 0 0 403.412 3.010 50 0 HGAARN CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006264166 569036182 /nfs/dbraw/zinc/03/61/82/569036182.db2.gz XFEVYGOFGKAHNI-YFXJRYMSSA-N 0 0 402.535 3.390 50 0 biogenic HGAARN Cc1nn(CCNC(=O)c2ccccc2S(=O)(=O)C(F)F)c(C)c1-c1ccco1 ZINC000575616059 569036622 /nfs/dbraw/zinc/03/66/22/569036622.db2.gz UYCXDVZXFZCEDP-UHFFFAOYSA-N 0 0 423.441 3.186 50 0 HGAARN CCc1ccccc1NC(=O)CN1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C(=O)N2 ZINC000035430696 569036725 /nfs/dbraw/zinc/03/67/25/569036725.db2.gz UOPPFWGUQPQWBB-UHFFFAOYSA-N 0 0 418.541 3.216 50 0 biogenic HGAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)cc1Cl ZINC000575616155 569036780 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569042857 /nfs/dbraw/zinc/04/28/57/569042857.db2.gz PHBRAGJVDZMCRN-ACJLOTCBSA-N 0 0 400.525 3.385 50 0 HGAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2cccn2Cc2ccccc2F)cc1 ZINC000035534802 569043453 /nfs/dbraw/zinc/04/34/53/569043453.db2.gz VLIAESHPLZJOJB-UHFFFAOYSA-N 0 0 401.463 3.112 50 0 HGAARN CCCn1c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)n2c2ccsc2c1=O ZINC000035528662 569044077 /nfs/dbraw/zinc/04/40/77/569044077.db2.gz SMZVWMRJEGJIIL-AWEZNQCLSA-N 0 0 409.515 3.326 50 0 HGAARN Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000035531249 569044349 /nfs/dbraw/zinc/04/43/49/569044349.db2.gz OMZZBEVCBLMPMY-UHFFFAOYSA-N 0 0 400.544 3.411 50 0 HGAARN CC(C)Cn1c2nnc(SCC(=O)Nc3ccccc3)n2c2ccsc2c1=O ZINC000035531807 569044384 /nfs/dbraw/zinc/04/43/84/569044384.db2.gz XDYPONVWYOJJIM-UHFFFAOYSA-N 0 0 413.528 3.493 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000006346742 569044527 /nfs/dbraw/zinc/04/45/27/569044527.db2.gz BSJIULQYPGNRAQ-UHFFFAOYSA-N 0 0 422.919 3.361 50 0 HGAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)no1 ZINC000035556930 569044689 /nfs/dbraw/zinc/04/46/89/569044689.db2.gz CVTCPOROIDKDCH-UHFFFAOYSA-N 0 0 418.563 3.246 50 0 HGAARN CCOc1ccc(C(=O)N[C@H](C(=O)Nc2nnc(SCC)s2)C(C)C)cc1 ZINC000006351210 569045156 /nfs/dbraw/zinc/04/51/56/569045156.db2.gz TUZOIBVZBVBQKF-AWEZNQCLSA-N 0 0 408.549 3.442 50 0 HGAARN Cc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)sc2n1 ZINC000006807165 569045248 /nfs/dbraw/zinc/04/52/48/569045248.db2.gz IEQXNJYRSCTVFP-UHFFFAOYSA-N 0 0 417.922 3.276 50 0 HGAARN O=C(NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)Nc1ccc(Cl)cc1 ZINC000035595036 569045513 /nfs/dbraw/zinc/04/55/13/569045513.db2.gz XEHOUOROZQMRRU-UHFFFAOYSA-N 0 0 400.866 3.240 50 0 HGAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCOC)CCC3)cc1F ZINC000035588281 569046192 /nfs/dbraw/zinc/04/61/92/569046192.db2.gz KKDHEJFUMVCNGP-UHFFFAOYSA-N 0 0 408.495 3.424 50 0 HGAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000012980315 569046201 /nfs/dbraw/zinc/04/62/01/569046201.db2.gz JIEWGOFJAHKGDD-UHFFFAOYSA-N 0 0 404.919 3.211 50 0 HGAARN COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccccc2)N2CCOCC2)cc1OC ZINC000012981716 569047293 /nfs/dbraw/zinc/04/72/93/569047293.db2.gz WLLXCEGJWMEBKX-FXAWDEMLSA-N 0 0 413.518 3.138 50 0 HGAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1NC(C)=O ZINC000012982392 569047304 /nfs/dbraw/zinc/04/73/04/569047304.db2.gz XIIBSVLSKASYJM-AWEZNQCLSA-N 0 0 401.488 3.206 50 0 HGAARN O=C(/C=C/c1ccccc1OC(F)F)NCc1ccccc1CN1CCOCC1 ZINC000029931860 569047889 /nfs/dbraw/zinc/04/78/89/569047889.db2.gz DIRBYLCBBGIYBE-MDZDMXLPSA-N 0 0 402.441 3.450 50 0 HGAARN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000012997273 569048198 /nfs/dbraw/zinc/04/81/98/569048198.db2.gz RMGIYEGRMKSCSF-KRWDZBQOSA-N 0 0 424.485 3.001 50 0 HGAARN COc1ccc2nc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)sc2c1 ZINC000006423510 569048401 /nfs/dbraw/zinc/04/84/01/569048401.db2.gz GBTFKJSRLSXHKC-UHFFFAOYSA-N 0 0 410.407 3.207 50 0 HGAARN Cn1cccc1Cc1nnc(SCC(=O)N2CCCCC2)n1-c1ccc(F)cc1 ZINC000006422636 569048426 /nfs/dbraw/zinc/04/84/26/569048426.db2.gz GWSBELSOSGDWMH-UHFFFAOYSA-N 0 0 413.522 3.440 50 0 HGAARN CCOc1ccc(NC(=O)c2sc3ncn(CCCOC)c(=O)c3c2C)cc1 ZINC000035672684 569048590 /nfs/dbraw/zinc/04/85/90/569048590.db2.gz GNQAHDFCZBOVCC-UHFFFAOYSA-N 0 0 401.488 3.454 50 0 HGAARN O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035684395 569049092 /nfs/dbraw/zinc/04/90/92/569049092.db2.gz GNRWCJFVAMHCPD-UHFFFAOYSA-N 0 0 410.586 3.225 50 0 HGAARN COc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)c(OC)c1 ZINC000013004084 569049445 /nfs/dbraw/zinc/04/94/45/569049445.db2.gz ONFAVXXIUYCHSF-LIRRHRJNSA-N 0 0 419.528 3.220 50 0 HGAARN CCOc1ccc(C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000013005561 569049633 /nfs/dbraw/zinc/04/96/33/569049633.db2.gz CRVKRJUCDNTGIA-UHFFFAOYSA-N 0 0 400.519 3.299 50 0 HGAARN COc1cc(Br)c(OC)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000013008232 569049834 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COc1cccc(Cn2nnc3cc(C(=O)Nc4ccc5c(c4)OCO5)ccc32)c1 ZINC000065030381 569157159 /nfs/dbraw/zinc/15/71/59/569157159.db2.gz PNVKLUBINVHDLG-UHFFFAOYSA-N 0 0 402.410 3.469 50 0 HGAARN Cc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCC(C)CC3)s2)cc1 ZINC000065032000 569157545 /nfs/dbraw/zinc/15/75/45/569157545.db2.gz KWWDGJXQJFAQMO-UHFFFAOYSA-N 0 0 406.573 3.336 50 0 HGAARN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 ZINC000169749844 569158045 /nfs/dbraw/zinc/15/80/45/569158045.db2.gz YFBCJWAHFTUKPE-MRXNPFEDSA-N 0 0 403.446 3.164 50 0 HGAARN CCn1c2nnc(CCCC(=O)NCCC3=CCCCC3)n2c2ccsc2c1=O ZINC000006868401 569159342 /nfs/dbraw/zinc/15/93/42/569159342.db2.gz IFPFSSUBTZNODC-UHFFFAOYSA-N 0 0 413.547 3.455 50 0 HGAARN CC(C)N(C(=O)Cn1cc(SCC(=O)N2CCOCC2)c2ccccc21)C(C)C ZINC000006867543 569160046 /nfs/dbraw/zinc/16/00/46/569160046.db2.gz PZNSQKXRYRVWKA-UHFFFAOYSA-N 0 0 417.575 3.238 50 0 HGAARN CC(=O)Nc1ccc(C(=O)N2CCCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1 ZINC000169752980 569160344 /nfs/dbraw/zinc/16/03/44/569160344.db2.gz RZEBHSSRRADJLI-UHFFFAOYSA-N 0 0 403.486 3.388 50 0 HGAARN Cc1cc(C)n(CCC(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)n1 ZINC000169753530 569160706 /nfs/dbraw/zinc/16/07/06/569160706.db2.gz VFBINDMMNRQPGP-IBGZPJMESA-N 0 0 410.497 3.204 50 0 HGAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)Cc4ccccc4OC)C3)n[nH]2)cc1 ZINC000169753892 569160892 /nfs/dbraw/zinc/16/08/92/569160892.db2.gz LKNJOISPYGOUFB-IBGZPJMESA-N 0 0 420.513 3.422 50 0 HGAARN COc1ccc(CC(=O)N[C@@H]2CCCN(c3cc(-c4ccc(OC)cc4)[nH]n3)C2)cc1 ZINC000169753897 569160909 /nfs/dbraw/zinc/16/09/09/569160909.db2.gz HPSXWAFBHBUOQL-LJQANCHMSA-N 0 0 420.513 3.422 50 0 HGAARN COc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)n2)c(OC)c1 ZINC000169758288 569161543 /nfs/dbraw/zinc/16/15/43/569161543.db2.gz FMOKPNVKRQMYOB-SFHVURJKSA-N 0 0 423.404 3.423 50 0 HGAARN C[C@H]1CCc2nn3ccn(CC(=O)Nc4ccc(C(F)(F)F)cc4)c(=O)c3c2C1 ZINC000169760008 569161665 /nfs/dbraw/zinc/16/16/65/569161665.db2.gz YMNXBSFKFZJPBK-LBPRGKRZSA-N 0 0 404.392 3.278 50 0 HGAARN CCOc1ccc(OCC)c(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c1 ZINC000169760172 569161749 /nfs/dbraw/zinc/16/17/49/569161749.db2.gz BXTYGTICCVHFLQ-UHFFFAOYSA-N 0 0 424.501 3.201 50 0 HGAARN COc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)c(OC)c1 ZINC000169759829 569161845 /nfs/dbraw/zinc/16/18/45/569161845.db2.gz DJPDUESLMHIHLO-OAQYLSRUSA-N 0 0 423.425 3.153 50 0 HGAARN C[C@H](C(=O)NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062115 569165988 /nfs/dbraw/zinc/16/59/88/569165988.db2.gz JCPGGUUYXXTPCT-LBPRGKRZSA-N 0 0 416.952 3.348 50 0 HGAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCCOc2ccccc2)CC1 ZINC000036389686 569165431 /nfs/dbraw/zinc/16/54/31/569165431.db2.gz OMZRINYCFQECTP-UHFFFAOYSA-N 0 0 409.530 3.245 50 0 HGAARN COc1ccccc1CNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061817 569165832 /nfs/dbraw/zinc/16/58/32/569165832.db2.gz ATWDXJKWVINYQY-OAHLLOKOSA-N 0 0 422.572 3.110 50 0 HGAARN Cc1cn2nc(C(=O)NCc3cccc(Cl)c3)cc2c(N2CCSCC2)n1 ZINC000169768828 569167288 /nfs/dbraw/zinc/16/72/88/569167288.db2.gz SBTHVLJLELECFF-UHFFFAOYSA-N 0 0 401.923 3.174 50 0 HGAARN Cc1ccc(NS(=O)(=O)CCNC(=O)c2ccc(Br)cc2)cc1F ZINC000036392280 569167483 /nfs/dbraw/zinc/16/74/83/569167483.db2.gz CJOSMYTWIBGINT-UHFFFAOYSA-N 0 0 415.284 3.068 50 0 HGAARN O=C(COc1ccc(-c2nnco2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000036396329 569168987 /nfs/dbraw/zinc/16/89/87/569168987.db2.gz TXJALKFEOFBPFX-GOSISDBHSA-N 0 0 407.426 3.250 50 0 HGAARN O=C(CCn1nnc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc21)N1CCCC1 ZINC000065075944 569169094 /nfs/dbraw/zinc/16/90/94/569169094.db2.gz ZLIWKULMZKHIOH-UHFFFAOYSA-N 0 0 420.448 3.224 50 0 HGAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC(c2noc(-c3ccccc3)n2)CC1 ZINC000065076707 569169933 /nfs/dbraw/zinc/16/99/33/569169933.db2.gz UKUHTAABOOARKY-IBGZPJMESA-N 0 0 422.485 3.490 50 0 HGAARN C[C@H](OC(=O)CNC(=O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006886932 569170381 /nfs/dbraw/zinc/17/03/81/569170381.db2.gz NZXJMUZRRQNRER-JTQLQIEISA-N 0 0 413.232 3.433 50 0 HGAARN CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077152 569170693 /nfs/dbraw/zinc/17/06/93/569170693.db2.gz OKRFHUAQEXVFFQ-UHFFFAOYSA-N 0 0 418.540 3.486 50 0 HGAARN COc1ccc(OC)c(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 ZINC000169772458 569171818 /nfs/dbraw/zinc/17/18/18/569171818.db2.gz CSUJAFKBYZAOSC-UHFFFAOYSA-N 0 0 410.396 3.368 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)cc1Cl ZINC000169772844 569172020 /nfs/dbraw/zinc/17/20/20/569172020.db2.gz IQPUBTTXAGTGFW-SNVBAGLBSA-N 0 0 402.813 3.356 50 0 HGAARN O=C(NC1CCCCC1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169775245 569172144 /nfs/dbraw/zinc/17/21/44/569172144.db2.gz ALCVOKAWNQPBPK-UHFFFAOYSA-N 0 0 404.514 3.486 50 0 HGAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccc(F)c4)ccn3n2)cc1C ZINC000169775946 569172356 /nfs/dbraw/zinc/17/23/56/569172356.db2.gz CSPAIHOOFBZXEM-UHFFFAOYSA-N 0 0 418.472 3.278 50 0 HGAARN COc1cc(Cl)ccc1C(=O)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12 ZINC000169776078 569172426 /nfs/dbraw/zinc/17/24/26/569172426.db2.gz HCWNAIVTDVIXFH-UHFFFAOYSA-N 0 0 424.848 3.249 50 0 HGAARN CCCc1noc(-c2cccn3c(CNC(=O)c4cc(F)ccc4Cl)nnc23)n1 ZINC000169776041 569172438 /nfs/dbraw/zinc/17/24/38/569172438.db2.gz APNMMEUEFCDQGE-UHFFFAOYSA-N 0 0 414.828 3.454 50 0 HGAARN O=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1cc(F)ccc1Cl ZINC000169776079 569172471 /nfs/dbraw/zinc/17/24/71/569172471.db2.gz PTYSFJLSSUZXBG-UHFFFAOYSA-N 0 0 412.812 3.379 50 0 HGAARN CCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2ccc(N(CC)CC)cc2)n1 ZINC000169776190 569172685 /nfs/dbraw/zinc/17/26/85/569172685.db2.gz VGLUHKMLNPRDCZ-UHFFFAOYSA-N 0 0 419.489 3.118 50 0 HGAARN CCOc1ccc(-n2nnc(C(=O)NCc3cccnc3)c2-c2ccncc2)cc1 ZINC000065083110 569172760 /nfs/dbraw/zinc/17/27/60/569172760.db2.gz NVTIYAHLHFDXEY-UHFFFAOYSA-N 0 0 400.442 3.053 50 0 HGAARN Cc1cc(-n2nnc(C(=O)NCCc3ccccn3)c2-c2ccncc2)ccc1F ZINC000065083426 569172882 /nfs/dbraw/zinc/17/28/82/569172882.db2.gz SNBAYCWDWBHYJH-UHFFFAOYSA-N 0 0 402.433 3.144 50 0 HGAARN Cc1nc(-c2cn([C@H]3CCCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nn2)no1 ZINC000169777897 569173326 /nfs/dbraw/zinc/17/33/26/569173326.db2.gz AEYKCNJBONDDQB-ZDUSSCGKSA-N 0 0 422.367 3.012 50 0 HGAARN COc1cccc(C(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 ZINC000169778065 569173379 /nfs/dbraw/zinc/17/33/79/569173379.db2.gz LKJIHIKQBOPPAH-KRWDZBQOSA-N 0 0 416.441 3.091 50 0 HGAARN CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc5ccccc5n4)C3)nn2)n1 ZINC000169778132 569173391 /nfs/dbraw/zinc/17/33/91/569173391.db2.gz XGFNRRKBCZELHB-OAHLLOKOSA-N 0 0 403.446 3.087 50 0 HGAARN COc1ccc(-c2ccc3nnc(CNC(=O)Cc4cccc(Cl)c4)n3n2)cc1 ZINC000169778564 569173580 /nfs/dbraw/zinc/17/35/80/569173580.db2.gz ZIRSTSSQEHDRLC-UHFFFAOYSA-N 0 0 407.861 3.312 50 0 HGAARN Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccc5c(c4)OCO5)n3n2)cc1C ZINC000169778597 569173651 /nfs/dbraw/zinc/17/36/51/569173651.db2.gz RMMKLVRHXUZPGB-UHFFFAOYSA-N 0 0 401.426 3.067 50 0 HGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)N[C@@H](C)CCc1ccccc1)CCCCC3 ZINC000169780435 569174080 /nfs/dbraw/zinc/17/40/80/569174080.db2.gz AXACPWHPDKTGLT-KRWDZBQOSA-N 0 0 406.530 3.370 50 0 HGAARN Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)Cc4ccsc4)ccn3n2)c1 ZINC000169780165 569174104 /nfs/dbraw/zinc/17/41/04/569174104.db2.gz RLOJGWCGGVDMBR-UHFFFAOYSA-N 0 0 406.511 3.200 50 0 HGAARN COc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCCC4)cc1Cl ZINC000169780671 569174208 /nfs/dbraw/zinc/17/42/08/569174208.db2.gz CSNYURSBVULFSA-UHFFFAOYSA-N 0 0 400.866 3.066 50 0 HGAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000169779823 569174659 /nfs/dbraw/zinc/17/46/59/569174659.db2.gz GUVHBKOJBIZNRK-UHFFFAOYSA-N 0 0 410.905 3.471 50 0 HGAARN C[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NC3CCCCCC3)cc2NC1=O ZINC000006893469 569174910 /nfs/dbraw/zinc/17/49/10/569174910.db2.gz NQLDILGBERUKEC-CYBMUJFWSA-N 0 0 410.561 3.122 50 0 HGAARN COc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1 ZINC000169781418 569175073 /nfs/dbraw/zinc/17/50/73/569175073.db2.gz NNNHKLQZZCIUMA-UHFFFAOYSA-N 0 0 416.481 3.218 50 0 HGAARN CCCn1c2ccccc2c2cnn(CC(=O)NCc3cccc(OC)c3)c(=O)c21 ZINC000006900072 569176219 /nfs/dbraw/zinc/17/62/19/569176219.db2.gz MGWJDPUBXCNPFE-UHFFFAOYSA-N 0 0 404.470 3.086 50 0 HGAARN CCCn1c2ccccc2c2cnn(CC(=O)NCc3ccc(OC)cc3)c(=O)c21 ZINC000006900039 569176227 /nfs/dbraw/zinc/17/62/27/569176227.db2.gz XYTOKBKTCACNEF-UHFFFAOYSA-N 0 0 404.470 3.086 50 0 HGAARN CCn1c(SCC(=O)NCc2ccco2)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099668 569177343 /nfs/dbraw/zinc/17/73/43/569177343.db2.gz YLGZPHVNHANSIC-UHFFFAOYSA-N 0 0 424.486 3.325 50 0 HGAARN COc1cccc(CNC(=O)Cn2c(=O)nc(NCCC(C)C)c3ccccc32)c1 ZINC000065101888 569178345 /nfs/dbraw/zinc/17/83/45/569178345.db2.gz RTEWDDSCHWETFV-UHFFFAOYSA-N 0 0 408.502 3.180 50 0 HGAARN COc1ccc(CN(C)Cc2nc(N)nc(Nc3ccccc3C)n2)c(OC)c1OC ZINC000006913031 569179490 /nfs/dbraw/zinc/17/94/90/569179490.db2.gz HBYOGLYIHOQAAJ-UHFFFAOYSA-N 0 0 424.505 3.164 50 0 HGAARN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 ZINC000065116114 569179736 /nfs/dbraw/zinc/17/97/36/569179736.db2.gz NXJFIECWGRRTLH-UHFFFAOYSA-N 0 0 407.492 3.092 50 0 HGAARN CCCc1nnc(-c2cccnc2N2CCN(C(=O)c3cccc(OC)c3)CC2)o1 ZINC000065117892 569181911 /nfs/dbraw/zinc/18/19/11/569181911.db2.gz SVWASBRSNHQDIH-UHFFFAOYSA-N 0 0 407.474 3.055 50 0 HGAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)NCCc3ccccc3)CC2)o1 ZINC000065118084 569181944 /nfs/dbraw/zinc/18/19/44/569181944.db2.gz LCEDVTWFBHDJJR-UHFFFAOYSA-N 0 0 420.517 3.329 50 0 HGAARN COc1ccc(-c2noc(-c3nn(-c4ccc(F)c(F)c4)ccc3=O)n2)cc1OC ZINC000065129632 569182026 /nfs/dbraw/zinc/18/20/26/569182026.db2.gz HYVSKAVTIDACGI-UHFFFAOYSA-N 0 0 412.352 3.245 50 0 HGAARN O=C(NCc1ccccc1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000065118220 569182031 /nfs/dbraw/zinc/18/20/31/569182031.db2.gz YYHYECMPCDXWCR-UHFFFAOYSA-N 0 0 404.474 3.041 50 0 HGAARN O=C(NCc1cccc(F)c1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000065118253 569182039 /nfs/dbraw/zinc/18/20/39/569182039.db2.gz CWJQZEWIMNTJBO-UHFFFAOYSA-N 0 0 422.464 3.180 50 0 HGAARN Cc1ccc(CNC(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3=O)cc2)cc1 ZINC000065130058 569182263 /nfs/dbraw/zinc/18/22/63/569182263.db2.gz YMCWODYJGDEDCM-UHFFFAOYSA-N 0 0 419.525 3.038 50 0 HGAARN C[C@H](NC(=O)c1ccc(CN2CCN(C3CCCC3)C(=O)C2=O)cc1)c1ccccc1 ZINC000065129996 569183309 /nfs/dbraw/zinc/18/33/09/569183309.db2.gz QSOGXJHXKBKQGK-SFHVURJKSA-N 0 0 419.525 3.291 50 0 HGAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)N3CCC4(CC3)OCCO4)C2)cc1 ZINC000065136157 569183329 /nfs/dbraw/zinc/18/33/29/569183329.db2.gz KFICQUSQHRFTSK-IBGZPJMESA-N 0 0 415.534 3.385 50 0 biogenic HGAARN COc1ccccc1CNC(=O)c1snc(-c2ccccn2)c1NC(=O)C1CC1 ZINC000065150015 569184665 /nfs/dbraw/zinc/18/46/65/569184665.db2.gz SLNMRKGAVZKDTC-UHFFFAOYSA-N 0 0 408.483 3.492 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1C ZINC000065150774 569186003 /nfs/dbraw/zinc/18/60/03/569186003.db2.gz GGYFRQTWBWKQPC-UHFFFAOYSA-N 0 0 403.442 3.247 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3c(SCc4ccccc4)nccn3c2=O)cc1F ZINC000065151139 569186323 /nfs/dbraw/zinc/18/63/23/569186323.db2.gz ASKPFUFJVWCROK-UHFFFAOYSA-N 0 0 423.473 3.270 50 0 HGAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCc1cccs1)nc2C ZINC000006944125 569187024 /nfs/dbraw/zinc/18/70/24/569187024.db2.gz CTVIPPJXAMISFD-OAHLLOKOSA-N 0 0 407.499 3.138 50 0 HGAARN CCn1cc(C(=O)Nc2cccc(SC)c2)c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065152599 569187497 /nfs/dbraw/zinc/18/74/97/569187497.db2.gz YCDHPTZDMPTDFS-UHFFFAOYSA-N 0 0 422.576 3.442 50 0 HGAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(-c2nc(C)no2)c2ccccc21 ZINC000065154253 569187751 /nfs/dbraw/zinc/18/77/51/569187751.db2.gz UCTUJKRYEAMGQL-UHFFFAOYSA-N 0 0 404.426 3.316 50 0 HGAARN CCOc1ccc(NC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2N)cc1 ZINC000065154835 569187923 /nfs/dbraw/zinc/18/79/23/569187923.db2.gz LRQZRNQMDQJFPW-UHFFFAOYSA-N 0 0 418.501 3.036 50 0 HGAARN CCOc1ccc(NC(=O)CN2c3ccccc3[C@](O)(c3cccc(F)c3)C2=O)cc1 ZINC000065155417 569188133 /nfs/dbraw/zinc/18/81/33/569188133.db2.gz VHQYAKVUYRUKSJ-XMMPIXPASA-N 0 0 420.440 3.446 50 0 HGAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)Cc1ccc(C)cc1)[C@H](C(=O)N(C)C)C2 ZINC000065167061 569188844 /nfs/dbraw/zinc/18/88/44/569188844.db2.gz MTNWJACVULOTPU-QFIPXVFZSA-N 0 0 421.541 3.318 50 0 HGAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1C)[C@H](C(=O)N(C)C)C2 ZINC000065167217 569188875 /nfs/dbraw/zinc/18/88/75/569188875.db2.gz UVQVYIGAEYKMCJ-NRFANRHFSA-N 0 0 407.514 3.389 50 0 HGAARN CCn1cc(CCN2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)c2cccnc21 ZINC000065164624 569189374 /nfs/dbraw/zinc/18/93/74/569189374.db2.gz GCGPBVDKCAGJEI-UHFFFAOYSA-N 0 0 405.546 3.123 50 0 HGAARN O=C(Nc1ccc2c(c1)OCO2)c1csc(-c2ccc(N3CCOCC3)nc2)n1 ZINC000065165491 569189613 /nfs/dbraw/zinc/18/96/13/569189613.db2.gz XRMBABIYBKLXQP-UHFFFAOYSA-N 0 0 410.455 3.023 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(N4CCOCC4)nc3)n2)cc1 ZINC000065165522 569189629 /nfs/dbraw/zinc/18/96/29/569189629.db2.gz UMJWMNNABFCXFP-UHFFFAOYSA-N 0 0 423.498 3.252 50 0 HGAARN CCN1CCn2c3ccc(C(=O)NCc4ccc(F)c(Cl)c4)cc3nc2C1=O ZINC000065172476 569189705 /nfs/dbraw/zinc/18/97/05/569189705.db2.gz XFJNWKBUSSDAAS-UHFFFAOYSA-N 0 0 400.841 3.235 50 0 HGAARN Cc1cccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)c1 ZINC000065179208 569190387 /nfs/dbraw/zinc/19/03/87/569190387.db2.gz KQGMZXLFRYTEOJ-HXUWFJFHSA-N 0 0 422.525 3.399 50 0 HGAARN CCC(CC)C(=O)N1CCC(COc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000065179999 569190603 /nfs/dbraw/zinc/19/06/03/569190603.db2.gz GAUSUDLNHLYVFJ-UHFFFAOYSA-N 0 0 402.535 3.213 50 0 HGAARN Cc1ccc(CNC(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)cc1 ZINC000065183452 569190958 /nfs/dbraw/zinc/19/09/58/569190958.db2.gz NCIYRNDVERNQSO-UHFFFAOYSA-N 0 0 420.494 3.254 50 0 HGAARN CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)[C@H]4CCCO4)C3)cc2)CC1 ZINC000065178992 569191899 /nfs/dbraw/zinc/19/18/99/569191899.db2.gz FRTPGEWUIFUYQN-DENIHFKCSA-N 0 0 414.546 3.355 50 0 HGAARN Cc1nc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n(C2CCCCC2)c1C ZINC000006973305 569192007 /nfs/dbraw/zinc/19/20/07/569192007.db2.gz AFUZCLPWBOCFMI-UHFFFAOYSA-N 0 0 422.576 3.383 50 0 HGAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 ZINC000006978897 569192557 /nfs/dbraw/zinc/19/25/57/569192557.db2.gz JUUBUZHJPIMVQF-LJQANCHMSA-N 0 0 407.474 3.029 50 0 HGAARN Cc1cccc(NC(=O)Cn2nc(-c3nc(-c4ccc(F)cc4)no3)ccc2=O)c1 ZINC000065197508 569193026 /nfs/dbraw/zinc/19/30/26/569193026.db2.gz CRLPQIHJHIUULH-UHFFFAOYSA-N 0 0 405.389 3.047 50 0 HGAARN Cc1ccccc1-n1ccn(Cc2nc(-c3ccc(F)c(Cl)c3)no2)c(=O)c1=O ZINC000065198605 569193353 /nfs/dbraw/zinc/19/33/53/569193353.db2.gz ILVNDILJYDTFJT-UHFFFAOYSA-N 0 0 412.808 3.198 50 0 HGAARN Cc1ccc(-c2noc(Cn3ccn(Cc4ccc(Cl)cc4)c(=O)c3=O)n2)cc1 ZINC000065198532 569193379 /nfs/dbraw/zinc/19/33/79/569193379.db2.gz XKQNYCUZMFVRRQ-UHFFFAOYSA-N 0 0 408.845 3.118 50 0 HGAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000065199160 569193581 /nfs/dbraw/zinc/19/35/81/569193581.db2.gz DAASBZMLCNSDLN-UHFFFAOYSA-N 0 0 400.410 3.403 50 0 HGAARN Cc1cccc(N2CCN(C(=O)c3csc(C(=O)NC4CCCC4)n3)CC2)c1C ZINC000065199809 569193591 /nfs/dbraw/zinc/19/35/91/569193591.db2.gz HGMIAHYVCMCVEB-UHFFFAOYSA-N 0 0 412.559 3.395 50 0 HGAARN C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nc(CN3CCCCC3)cs2)CC1 ZINC000065200512 569193840 /nfs/dbraw/zinc/19/38/40/569193840.db2.gz GAAVFVWAZHFVFP-SFHVURJKSA-N 0 0 414.575 3.245 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3ccccc3F)c(=O)n2c(-c2ccc(Cl)cc2)n1 ZINC000065196520 569194668 /nfs/dbraw/zinc/19/46/68/569194668.db2.gz AXQXKSRYXZZLDD-UHFFFAOYSA-N 0 0 411.824 3.298 50 0 HGAARN CCCOc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000006981085 569195622 /nfs/dbraw/zinc/19/56/22/569195622.db2.gz DOBMDOFGSYKEPA-AWEZNQCLSA-N 0 0 405.472 3.275 50 0 HGAARN COc1ccccc1Nc1nnc(SCC(=O)NC(=O)c2cccs2)s1 ZINC000006984316 569195777 /nfs/dbraw/zinc/19/57/77/569195777.db2.gz FXPSFEGNUSMZEY-UHFFFAOYSA-N 0 0 406.514 3.401 50 0 HGAARN O=C(NCCc1cccs1)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 ZINC000065210600 569196258 /nfs/dbraw/zinc/19/62/58/569196258.db2.gz BEKZTKXSEMCAPE-UHFFFAOYSA-N 0 0 412.536 3.472 50 0 HGAARN Cc1nc(-c2cccnc2SCC(=O)N2CCN(c3ccccc3C)CC2)no1 ZINC000065211294 569196448 /nfs/dbraw/zinc/19/64/48/569196448.db2.gz XIZCCUSHMCFBFG-UHFFFAOYSA-N 0 0 409.515 3.189 50 0 HGAARN Cc1cccc(NC(=O)N2CCc3c2cccc3C(=O)NCCCN2CCCC2=O)c1 ZINC000065210078 569196646 /nfs/dbraw/zinc/19/66/46/569196646.db2.gz NFNAJVOSBHKXGY-UHFFFAOYSA-N 0 0 420.513 3.332 50 0 HGAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4ccccc4)cs3)CC2)c1 ZINC000065211575 569196925 /nfs/dbraw/zinc/19/69/25/569196925.db2.gz CRGAONDKAWWRFS-UHFFFAOYSA-N 0 0 408.527 3.408 50 0 HGAARN COc1ccc(OC)c(CNC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)c1 ZINC000065214680 569197553 /nfs/dbraw/zinc/19/75/53/569197553.db2.gz OABGSSDZMSXKHF-UHFFFAOYSA-N 0 0 404.426 3.161 50 0 HGAARN O=C(Cn1ccc2ccn(Cc3cccc(F)c3)c2c1=O)NCc1ccc(F)cc1 ZINC000065220475 569198082 /nfs/dbraw/zinc/19/80/82/569198082.db2.gz RUJHQHYWOVYIFS-UHFFFAOYSA-N 0 0 407.420 3.446 50 0 HGAARN Cc1ccc(C(=O)c2cn(CC(=O)NC3CCCC3)c3nc(C)ccc3c2=O)cc1 ZINC000007004892 569198593 /nfs/dbraw/zinc/19/85/93/569198593.db2.gz MRTOLGSMCGBVNM-UHFFFAOYSA-N 0 0 403.482 3.303 50 0 HGAARN Cc1ccc(N2C(=O)N(Cc3ccccc3F)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000007005958 569199270 /nfs/dbraw/zinc/19/92/70/569199270.db2.gz KGQUKTYWSGUOAB-ROUUACIJSA-N 0 0 408.882 3.395 50 0 HGAARN O=S(=O)(c1cccc2cccnc21)N1CCCn2nc(-c3ccncc3)cc2C1 ZINC000065225620 569199653 /nfs/dbraw/zinc/19/96/53/569199653.db2.gz NZKLUGJSGYWDCA-UHFFFAOYSA-N 0 0 405.483 3.088 50 0 HGAARN NC(=O)c1c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2 ZINC000007007621 569200433 /nfs/dbraw/zinc/20/04/33/569200433.db2.gz CTAXUWCDBRLPTE-UHFFFAOYSA-N 0 0 413.282 3.438 50 0 HGAARN O=C(C1CC1)N1CCc2ccccc2[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000065230884 569200767 /nfs/dbraw/zinc/20/07/67/569200767.db2.gz RSRYIVDVWWKNIT-QFIPXVFZSA-N 0 0 407.489 3.010 50 0 HGAARN CC[C@@H](NC(=O)c1nc2nc(C)cc(C)c2c(N2CCOCC2)n1)c1cccs1 ZINC000065232056 569201276 /nfs/dbraw/zinc/20/12/76/569201276.db2.gz WAUXMINMFVHTCF-OAHLLOKOSA-N 0 0 411.531 3.421 50 0 HGAARN O=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)c1ccc(Cl)s1 ZINC000065231864 569201311 /nfs/dbraw/zinc/20/13/11/569201311.db2.gz OWEMQNWOVGLRMP-UHFFFAOYSA-N 0 0 406.924 3.183 50 0 HGAARN Cc1nn(CC(=O)Nc2c(C)cccc2C)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000007025419 569201556 /nfs/dbraw/zinc/20/15/56/569201556.db2.gz NMGNZAGMCMMEJC-UHFFFAOYSA-N 0 0 418.563 3.176 50 0 HGAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000007028235 569201631 /nfs/dbraw/zinc/20/16/31/569201631.db2.gz XRIACBWSYLWCOD-ZDUSSCGKSA-N 0 0 421.544 3.015 50 0 HGAARN COc1cccc(CNC(=O)C2CCN(c3cc(N4CCCCC4)ncn3)CC2)c1 ZINC000065237134 569202665 /nfs/dbraw/zinc/20/26/65/569202665.db2.gz LXYBRFINKRUEJY-UHFFFAOYSA-N 0 0 409.534 3.008 50 0 HGAARN C=C1C(N2CCCN(C(=O)CC(C)(C)C)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239384 569203335 /nfs/dbraw/zinc/20/33/35/569203335.db2.gz OONRJBUGYGIDQV-UHFFFAOYSA-N 0 0 421.538 3.269 50 0 HGAARN C=C1C(N2CCCN(C(=O)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239460 569203353 /nfs/dbraw/zinc/20/33/53/569203353.db2.gz XBNKJAGFHMZHBB-UHFFFAOYSA-N 0 0 423.538 3.316 50 0 HGAARN C[C@H]1CCCCN1c1cc(-n2cnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)ncn1 ZINC000065239906 569203625 /nfs/dbraw/zinc/20/36/25/569203625.db2.gz FYWNIWLZIXKMAJ-HNNXBMFYSA-N 0 0 420.473 3.065 50 0 HGAARN CCCN1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3CC)CC1 ZINC000065241325 569204088 /nfs/dbraw/zinc/20/40/88/569204088.db2.gz ZPGAYTSKXNYSOO-UHFFFAOYSA-N 0 0 410.543 3.381 50 0 HGAARN CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCC(COC)CC3)C2)ncn1 ZINC000065242422 569204627 /nfs/dbraw/zinc/20/46/27/569204627.db2.gz TWRLKTDNVGSFAZ-GOSISDBHSA-N 0 0 403.571 3.180 50 0 HGAARN O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)Nc1ccc2c(c1)OCCO2 ZINC000065245161 569204982 /nfs/dbraw/zinc/20/49/82/569204982.db2.gz YKQCLFCXSDAUTE-MRXNPFEDSA-N 0 0 423.517 3.457 50 0 HGAARN Cc1cc(C)n(-c2ccccc2CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1 ZINC000036615151 569206943 /nfs/dbraw/zinc/20/69/43/569206943.db2.gz TXIFBMOUMCJVPC-UHFFFAOYSA-N 0 0 409.462 3.176 50 0 HGAARN CCCn1nccc1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C ZINC000036615830 569207025 /nfs/dbraw/zinc/20/70/25/569207025.db2.gz BVVNMIDPXHVDTK-UHFFFAOYSA-N 0 0 418.501 3.489 50 0 HGAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(-n4cnnn4)ccc3Cl)c12 ZINC000036615873 569207103 /nfs/dbraw/zinc/20/71/03/569207103.db2.gz UGDOIWUGCIWXPX-UHFFFAOYSA-N 0 0 408.853 3.036 50 0 HGAARN CCc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCN3CCOCC3)no2)cc1 ZINC000065255037 569207681 /nfs/dbraw/zinc/20/76/81/569207681.db2.gz RYVDOMMQIZZZJB-UHFFFAOYSA-N 0 0 404.474 3.043 50 0 HGAARN COc1ccc(-c2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)c3cnn(C)c3n2)cc1 ZINC000036613406 569209161 /nfs/dbraw/zinc/20/91/61/569209161.db2.gz YEIMLRFVBAUVAO-OAHLLOKOSA-N 0 0 418.501 3.276 50 0 HGAARN CC(C)(C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2)n1cc(Cl)cn1 ZINC000036614357 569209526 /nfs/dbraw/zinc/20/95/26/569209526.db2.gz FIJBTGZBQNSDRU-UHFFFAOYSA-N 0 0 403.836 3.182 50 0 HGAARN Cc1ccnn1C[C@@H](C)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn21 ZINC000036618891 569210284 /nfs/dbraw/zinc/21/02/84/569210284.db2.gz IJBWSCWVAJIAAT-ZDUSSCGKSA-N 0 0 409.881 3.016 50 0 HGAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c32)c1 ZINC000036618942 569210367 /nfs/dbraw/zinc/21/03/67/569210367.db2.gz FYCQJTVIDFDQEC-LBPRGKRZSA-N 0 0 421.457 3.440 50 0 HGAARN CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N(C)Cc4ccnn4C)c32)c1C ZINC000036618946 569210404 /nfs/dbraw/zinc/21/04/04/569210404.db2.gz FSIVINUZUZOCOF-UHFFFAOYSA-N 0 0 419.489 3.298 50 0 HGAARN COC(=O)C[C@H](c1ccco1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O ZINC000524731862 569212484 /nfs/dbraw/zinc/21/24/84/569212484.db2.gz MVEBLBOJZXTKFF-GOSISDBHSA-N 0 0 409.438 3.192 50 0 biogenic HGAARN COc1ccc2cc([C@H]3C4=CNNC4=Nc4c5ccccc5oc(=O)c43)c(=O)[nH]c2c1 ZINC000524731899 569212500 /nfs/dbraw/zinc/21/25/00/569212500.db2.gz OLRRXHJVJJJRKV-SFHVURJKSA-N 0 0 412.405 3.223 50 0 biogenic HGAARN COc1coc(C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)cc1=O ZINC000524731727 569212515 /nfs/dbraw/zinc/21/25/15/569212515.db2.gz ITLJYDHZBLYQQE-UHFFFAOYSA-N 0 0 403.232 3.091 50 0 biogenic HGAARN COCCN=C1Nc2ccccc2CN[C@@]12CCN(C(=O)c1ccc(Cl)s1)C2 ZINC000065265791 569212939 /nfs/dbraw/zinc/21/29/39/569212939.db2.gz ARYDUHITVQXKHT-HXUWFJFHSA-N 0 0 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/nfs/dbraw/zinc/30/82/66/569308266.db2.gz LGMCHACTXDPSAY-UHFFFAOYSA-N 0 0 410.547 3.095 50 0 HGAARN Cc1ccc(N2C(=O)N(CCCCN3C(=O)c4ccccc4C3=O)C(=O)[C@H]2C)cc1 ZINC000007779781 569309402 /nfs/dbraw/zinc/30/94/02/569309402.db2.gz MCXKLYFMKVRQMJ-MRXNPFEDSA-N 0 0 405.454 3.229 50 0 HGAARN Cc1cccc(-c2noc(CN(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)C)n2)c1 ZINC000007780633 569309661 /nfs/dbraw/zinc/30/96/61/569309661.db2.gz BTEYCKFYVNDMCG-UHFFFAOYSA-N 0 0 418.453 3.078 50 0 HGAARN Cc1nn(-c2ccccc2)c2c1cc1c(=O)n(C)c(=O)nc-1n2-c1cccc(C)c1C ZINC000002216111 569310835 /nfs/dbraw/zinc/31/08/35/569310835.db2.gz PQLXALDAJUXLRT-UHFFFAOYSA-N 0 0 411.465 3.300 50 0 HGAARN CCOc1ccc(NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1OCC ZINC000002217498 569311653 /nfs/dbraw/zinc/31/16/53/569311653.db2.gz QQWRILCWLLNVMQ-UHFFFAOYSA-N 0 0 414.502 3.498 50 0 biogenic HGAARN COc1ccc(OC)c(C(=O)COC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000007805272 569311765 /nfs/dbraw/zinc/31/17/65/569311765.db2.gz NBRSCUKQEJPUMQ-UHFFFAOYSA-N 0 0 407.463 3.077 50 0 HGAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000007807194 569311941 /nfs/dbraw/zinc/31/19/41/569311941.db2.gz HGABNJDRKFXVND-UONOGXRCSA-N 0 0 404.422 3.275 50 0 HGAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(C)on3)o2)c1 ZINC000007821971 569313026 /nfs/dbraw/zinc/31/30/26/569313026.db2.gz APTZMKVEIUQSKD-UHFFFAOYSA-N 0 0 408.505 3.356 50 0 HGAARN COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000007855272 569314776 /nfs/dbraw/zinc/31/47/76/569314776.db2.gz NKWXOPPPFYOIIN-OAHLLOKOSA-N 0 0 409.442 3.457 50 0 HGAARN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)CCC2 ZINC000007875160 569314997 /nfs/dbraw/zinc/31/49/97/569314997.db2.gz XZPHSDAZCAHNRO-UHFFFAOYSA-N 0 0 421.497 3.193 50 0 HGAARN O=c1c(=Cc2cccc(O)c2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000252680375 569319916 /nfs/dbraw/zinc/31/99/16/569319916.db2.gz ZSFGMKJRLRUHMR-JOCHJYFZSA-N 0 0 411.486 3.071 50 0 HGAARN O=c1c(=Cc2cccc(O)c2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000252680376 569319950 /nfs/dbraw/zinc/31/99/50/569319950.db2.gz ZSFGMKJRLRUHMR-QFIPXVFZSA-N 0 0 411.486 3.071 50 0 HGAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000002721995 569322354 /nfs/dbraw/zinc/32/23/54/569322354.db2.gz YZFVCTSZLDJPMH-UHFFFAOYSA-N 0 0 405.410 3.250 50 0 HGAARN COCCCNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O ZINC000002809844 569322570 /nfs/dbraw/zinc/32/25/70/569322570.db2.gz PLKXHASRAXVUKX-UHFFFAOYSA-N 0 0 416.905 3.412 50 0 HGAARN CC[C@H](C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002258104 569324924 /nfs/dbraw/zinc/32/49/24/569324924.db2.gz RKKYWZLPQUTGJX-ZDUSSCGKSA-N 0 0 417.469 3.472 50 0 HGAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000002259953 569324965 /nfs/dbraw/zinc/32/49/65/569324965.db2.gz FJARGXHWAJTUOG-CQSZACIVSA-N 0 0 407.470 3.348 50 0 HGAARN CC(C)CN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1=O ZINC000029823106 569357842 /nfs/dbraw/zinc/35/78/42/569357842.db2.gz WVGFFIMHIJYJTK-NQIIRXRSSA-N 0 0 404.514 3.467 50 0 HGAARN CC(C)(C)OC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCOCC1 ZINC000168587784 569359528 /nfs/dbraw/zinc/35/95/28/569359528.db2.gz ODZXIKJXHHKVFP-UHFFFAOYSA-N 0 0 405.310 3.114 50 0 HGAARN COC(=O)C[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000257347537 569363966 /nfs/dbraw/zinc/36/39/66/569363966.db2.gz KLXPQIAGNBJJFR-VIGDYRGZSA-N 0 0 408.579 3.147 50 0 HGAARN O=C(Nc1nc2ccccc2[nH]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000253388016 569364966 /nfs/dbraw/zinc/36/49/66/569364966.db2.gz PBKJHSJZQROJJL-WKILWMFISA-N 0 0 412.515 3.286 50 0 HGAARN C[C@H]1CCN(c2ncccc2C(=O)Nc2ccc(Br)cc2)CC[S@]1=O ZINC000253394245 569365107 /nfs/dbraw/zinc/36/51/07/569365107.db2.gz BCYVTFXGVLIVQV-ZJWNCGCPSA-N 0 0 422.348 3.444 50 0 HGAARN COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1oc2ccccc2c(=O)c1O ZINC000253398828 569365589 /nfs/dbraw/zinc/36/55/89/569365589.db2.gz CILJOTJKNMEONB-CQSZACIVSA-N 0 0 414.410 3.219 50 0 biogenic HGAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000253413300 569366673 /nfs/dbraw/zinc/36/66/73/569366673.db2.gz UKOYMZJBMOHQID-MOPGFXCFSA-N 0 0 420.469 3.155 50 0 biogenic HGAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)C[C@@H](C)O1 ZINC000253417861 569367582 /nfs/dbraw/zinc/36/75/82/569367582.db2.gz QRKUIVMOYPLFHK-CHWSQXEVSA-N 0 0 408.449 3.292 50 0 HGAARN COc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C ZINC000253425506 569368208 /nfs/dbraw/zinc/36/82/08/569368208.db2.gz UKRHLCUNDWTCIN-INIZCTEOSA-N 0 0 415.494 3.255 50 0 HGAARN Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000002290837 569368998 /nfs/dbraw/zinc/36/89/98/569368998.db2.gz GNJNUHCTMYGSFG-OAHLLOKOSA-N 0 0 405.433 3.204 50 0 HGAARN Cc1ccnn1-c1ccc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)cc1 ZINC000253432051 569370055 /nfs/dbraw/zinc/37/00/55/569370055.db2.gz VNUAIXBKBSZHOJ-UHFFFAOYSA-N 0 0 400.385 3.176 50 0 HGAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)cc1Cl ZINC000002337357 569376120 /nfs/dbraw/zinc/37/61/20/569376120.db2.gz FMDBVRKLQZYDGO-UHFFFAOYSA-N 0 0 403.895 3.360 50 0 HGAARN O=C(NCc1cccnc1N1CCCC1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253472826 569381365 /nfs/dbraw/zinc/38/13/65/569381365.db2.gz PSAPBCIRUCATRP-UHFFFAOYSA-N 0 0 416.909 3.218 50 0 HGAARN CSCC[C@@H](NC(=O)c1cnc2c(F)cccc2c1O)c1nnc2ccccn21 ZINC000253496397 569381716 /nfs/dbraw/zinc/38/17/16/569381716.db2.gz PBPSMMDOWUXIFV-OAHLLOKOSA-N 0 0 411.462 3.346 50 0 HGAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2C=CC=NN21 ZINC000253487995 569381777 /nfs/dbraw/zinc/38/17/77/569381777.db2.gz VGVXLUAWOCBZCS-JONQDZQNSA-N 0 0 420.296 3.323 50 0 HGAARN O=C(/C=C/c1ccccc1F)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000057449816 569383363 /nfs/dbraw/zinc/38/33/63/569383363.db2.gz MIAGTZGAKPUEHT-MDZDMXLPSA-N 0 0 401.869 3.275 50 0 HGAARN CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000027642135 569385681 /nfs/dbraw/zinc/38/56/81/569385681.db2.gz KNXVTDOCIZLXFW-SQACBOECSA-N 0 0 417.590 3.371 50 0 in-vitro HGAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cc1 ZINC000002361892 569387137 /nfs/dbraw/zinc/38/71/37/569387137.db2.gz LWRCUCJQPXTGPT-UHFFFAOYSA-N 0 0 403.895 3.442 50 0 HGAARN O=C(Cn1cnc2ccccc2c1=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253397768 569388796 /nfs/dbraw/zinc/38/87/96/569388796.db2.gz BQGUCDQKCODFOJ-QFIPXVFZSA-N 0 0 409.449 3.179 50 0 HGAARN Nn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccnc1 ZINC000002376301 569389497 /nfs/dbraw/zinc/38/94/97/569389497.db2.gz CVRDQNKJSDNZOK-UHFFFAOYSA-N 0 0 402.483 3.452 50 0 HGAARN CC(C)OCCCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc21 ZINC000002393171 569394078 /nfs/dbraw/zinc/39/40/78/569394078.db2.gz KLWIUFBMAKQGRE-UHFFFAOYSA-N 0 0 407.474 3.353 50 0 HGAARN Cc1cccc(C)c1NC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1 ZINC000002397508 569394534 /nfs/dbraw/zinc/39/45/34/569394534.db2.gz RJFRWLLXCVUCGI-UHFFFAOYSA-N 0 0 406.508 3.484 50 0 HGAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000002425502 569398537 /nfs/dbraw/zinc/39/85/37/569398537.db2.gz FBYLKHGXVAEKFX-ROUUACIJSA-N 0 0 403.442 3.086 50 0 HGAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)c1 ZINC000002445549 569401275 /nfs/dbraw/zinc/40/12/75/569401275.db2.gz IFMWLPFSEBXNRD-UHFFFAOYSA-N 0 0 413.503 3.105 50 0 HGAARN CC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012810458 569403765 /nfs/dbraw/zinc/40/37/65/569403765.db2.gz LYJDAYWYFDSAAS-QGZVFWFLSA-N 0 0 422.934 3.493 50 0 HGAARN CSc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 ZINC000012873944 569404261 /nfs/dbraw/zinc/40/42/61/569404261.db2.gz YTEIWLDLDFLPDZ-AWEZNQCLSA-N 0 0 409.533 3.053 50 0 HGAARN Cc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000012892079 569404558 /nfs/dbraw/zinc/40/45/58/569404558.db2.gz AIRLRNGTPKELRG-FQEVSTJZSA-N 0 0 404.470 3.358 50 0 biogenic HGAARN COc1cc(/C=C/C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1 ZINC000012931656 569404983 /nfs/dbraw/zinc/40/49/83/569404983.db2.gz JKMDHSMSFQPEHU-XMGLVOBQSA-N 0 0 414.477 3.046 50 0 HGAARN C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccccc1F ZINC000012917388 569405039 /nfs/dbraw/zinc/40/50/39/569405039.db2.gz IXHICODXETYHDD-FKIZINRSSA-N 0 0 400.431 3.325 50 0 HGAARN Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000012986532 569405985 /nfs/dbraw/zinc/40/59/85/569405985.db2.gz RYHOBJIBAOZHRU-UHFFFAOYSA-N 0 0 421.541 3.358 50 0 HGAARN CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nc2ccccc2c1=O ZINC000013117968 569409474 /nfs/dbraw/zinc/40/94/74/569409474.db2.gz GZFDSIYWOZXSHL-AWEZNQCLSA-N 0 0 422.510 3.272 50 0 HGAARN CCOc1ccc(C(=O)N2CCC(C(=O)NCCc3csc(C)n3)CC2)cc1 ZINC000013360011 569411791 /nfs/dbraw/zinc/41/17/91/569411791.db2.gz AJXONWDKKCEYST-UHFFFAOYSA-N 0 0 401.532 3.061 50 0 HGAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4cc(F)ccc4OC)CC3)[nH]n2)cc1 ZINC000013366601 569412197 /nfs/dbraw/zinc/41/21/97/569412197.db2.gz NZOHKHXRIPZIOF-UHFFFAOYSA-N 0 0 424.476 3.191 50 0 HGAARN Cn1c2cc(NC(=O)NCc3ccc(F)cc3)c(N3CCCCC3)cc2n(C)c1=O ZINC000013364870 569412222 /nfs/dbraw/zinc/41/22/22/569412222.db2.gz IEQUROJHFFGRNP-UHFFFAOYSA-N 0 0 411.481 3.328 50 0 HGAARN O=C(Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1)c1ccc2c(c1)OCO2 ZINC000013368365 569412446 /nfs/dbraw/zinc/41/24/46/569412446.db2.gz OMHAQBSQEBGZFP-UHFFFAOYSA-N 0 0 421.434 3.316 50 0 HGAARN COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)c1 ZINC000013368506 569412540 /nfs/dbraw/zinc/41/25/40/569412540.db2.gz JYNWLHADPJDSHE-UHFFFAOYSA-N 0 0 405.410 3.436 50 0 HGAARN C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)[C@@H]2CCCC[C@H]12 ZINC000078648255 569414661 /nfs/dbraw/zinc/41/46/61/569414661.db2.gz AEFSRUBFMVGIRF-XRULBBBTSA-N 0 0 420.575 3.185 50 0 HGAARN Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1ccc(COc3ccc(C)cc3C)o1)C2 ZINC000328591714 569415137 /nfs/dbraw/zinc/41/51/37/569415137.db2.gz YGPCJZZZYXURBC-SFHVURJKSA-N 0 0 423.513 3.260 50 0 HGAARN Cn1cc([C@H]2N(C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)CC2(C)C)cn1 ZINC000328591849 569415209 /nfs/dbraw/zinc/41/52/09/569415209.db2.gz URVAMUGCNCCGOL-MRXNPFEDSA-N 0 0 404.396 3.243 50 0 HGAARN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000078876057 569421161 /nfs/dbraw/zinc/42/11/61/569421161.db2.gz SOJTYIKDTJQJEQ-KBPBESRZSA-N 0 0 405.285 3.067 50 0 HGAARN COc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc1OC ZINC000078881859 569421496 /nfs/dbraw/zinc/42/14/96/569421496.db2.gz DGAGCTHELARXRH-AWEZNQCLSA-N 0 0 405.292 3.475 50 0 HGAARN C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1=O ZINC000078958522 569422144 /nfs/dbraw/zinc/42/21/44/569422144.db2.gz RDHXDSHHVVTDDH-SJORKVTESA-N 0 0 414.527 3.460 50 0 HGAARN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000078974674 569422591 /nfs/dbraw/zinc/42/25/91/569422591.db2.gz RCYLTGZDQLXSCE-KJEZJMDVSA-N 0 0 423.494 3.100 50 0 HGAARN CON(C)S(=O)(=O)c1ccc(C(=O)OC2(CCOc3ccccc3)CC2)cc1 ZINC000079017952 569424142 /nfs/dbraw/zinc/42/41/42/569424142.db2.gz WLXBXTYCTAPJCR-UHFFFAOYSA-N 0 0 405.472 3.027 50 0 HGAARN CCN(CCN(C)CC(F)(F)F)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C ZINC000079022890 569424438 /nfs/dbraw/zinc/42/44/38/569424438.db2.gz NGLBZOXNVIJBOP-UHFFFAOYSA-N 0 0 420.439 3.080 50 0 HGAARN Cc1cc2ncn(C[C@H](NC(=O)CCS(=O)(=O)C3CCCC3)C3CC3)c2cc1C ZINC000079045642 569425229 /nfs/dbraw/zinc/42/52/29/569425229.db2.gz SLVRODPLSNIXCJ-FQEVSTJZSA-N 0 0 417.575 3.295 50 0 HGAARN CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000079052519 569425688 /nfs/dbraw/zinc/42/56/88/569425688.db2.gz GJTFGFNDUMKLTN-LRDDRELGSA-N 0 0 421.291 3.340 50 0 HGAARN CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000079052504 569425720 /nfs/dbraw/zinc/42/57/20/569425720.db2.gz GJTFGFNDUMKLTN-WBMJQRKESA-N 0 0 421.291 3.340 50 0 HGAARN CCOc1ccc(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(C)c3=O)c(C)o2)cc1 ZINC000019625549 569425968 /nfs/dbraw/zinc/42/59/68/569425968.db2.gz VHYLZMIGTQJPND-UHFFFAOYSA-N 0 0 420.469 3.122 50 0 HGAARN CN(C)C(=O)Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079067863 569426536 /nfs/dbraw/zinc/42/65/36/569426536.db2.gz SMMZETBOEMZKRQ-QZTJIDSGSA-N 0 0 418.538 3.275 50 0 HGAARN Cn1cnc(CCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 ZINC000079070269 569426735 /nfs/dbraw/zinc/42/67/35/569426735.db2.gz UWGJHHPMNMGCKJ-UHFFFAOYSA-N 0 0 418.284 3.347 50 0 HGAARN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCCCNc1ncccn1 ZINC000079098830 569427365 /nfs/dbraw/zinc/42/73/65/569427365.db2.gz PXADLSXYRAIJGM-DLBZAZTESA-N 0 0 405.543 3.259 50 0 HGAARN O=c1[nH]c(N(Cc2cccs2)C[C@H]2CCCO2)nc2c1cnn2-c1ccccc1 ZINC000079109113 569427880 /nfs/dbraw/zinc/42/78/80/569427880.db2.gz NNGMWGGXCRGIPC-MRXNPFEDSA-N 0 0 407.499 3.356 50 0 HGAARN COc1ccc(-c2cc(C(=O)Nc3c(=O)[nH]cnc3N(C)C)c3ccccc3n2)cc1 ZINC000079110669 569428037 /nfs/dbraw/zinc/42/80/37/569428037.db2.gz REMLVRAGDMIONE-UHFFFAOYSA-N 0 0 415.453 3.312 50 0 HGAARN Cc1cc(C)c2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793696 569430113 /nfs/dbraw/zinc/43/01/13/569430113.db2.gz JIUSBVUYCQJCIY-UHFFFAOYSA-N 0 0 419.525 3.500 50 0 HGAARN CSc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000079490460 569432477 /nfs/dbraw/zinc/43/24/77/569432477.db2.gz PQXOHICQHKFFOD-KRWDZBQOSA-N 0 0 412.559 3.263 50 0 HGAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)cc(=O)[nH]2)cc1 ZINC000001432421 571044450 /nfs/dbraw/zinc/04/44/50/571044450.db2.gz PJXSZLIMIJJLCR-UHFFFAOYSA-N 0 0 423.494 3.268 50 0 HGAARN Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1 ZINC000089689177 571047794 /nfs/dbraw/zinc/04/77/94/571047794.db2.gz GXHHQUFBJUYRKR-NRFANRHFSA-N 0 0 420.513 3.152 50 0 HGAARN CCOC(=O)c1cnn(-c2ccc(SCC(=O)Nc3cccc(C)c3)nn2)c1C ZINC000067240372 571052130 /nfs/dbraw/zinc/05/21/30/571052130.db2.gz HVVWSQVJZHARTB-UHFFFAOYSA-N 0 0 411.487 3.187 50 0 HGAARN Cc1cccc(-n2c(=O)nc3nc(NCc4ccc(F)cc4F)[nH]cc-3c2=O)c1C ZINC000067263622 571062148 /nfs/dbraw/zinc/06/21/48/571062148.db2.gz PBEOLQUKKISZMY-UHFFFAOYSA-N 0 0 409.396 3.388 50 0 HGAARN COc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)CC1 ZINC000067284678 571063670 /nfs/dbraw/zinc/06/36/70/571063670.db2.gz GPULQJLNDVWAKI-UHFFFAOYSA-N 0 0 412.881 3.173 50 0 HGAARN COC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000067298572 571072581 /nfs/dbraw/zinc/07/25/81/571072581.db2.gz OXJSPOHSQSDZPP-FGGSVNHKSA-N 0 0 422.437 3.066 50 0 HGAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(F)c2)c(=O)c1CCO ZINC000067301716 571074267 /nfs/dbraw/zinc/07/42/67/571074267.db2.gz QVUVUFAFNVSNKB-UHFFFAOYSA-N 0 0 415.852 3.185 50 0 HGAARN Cn1cc(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c2ccccc21 ZINC000038729754 571074662 /nfs/dbraw/zinc/07/46/62/571074662.db2.gz JUGDKBMEEAOFIG-YADHBBJMSA-N 0 0 419.500 3.334 50 0 HGAARN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)cnn1-c1ccccc1 ZINC000038730940 571075470 /nfs/dbraw/zinc/07/54/70/571075470.db2.gz CZTTYFULWOGXSJ-RTBURBONSA-N 0 0 420.538 3.330 50 0 HGAARN Cc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)c1C ZINC000067316842 571075920 /nfs/dbraw/zinc/07/59/20/571075920.db2.gz KWXQFABSNJCQJO-UHFFFAOYSA-N 0 0 409.461 3.148 50 0 HGAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cc(F)ccc1Cl ZINC000067317069 571075943 /nfs/dbraw/zinc/07/59/43/571075943.db2.gz HPMVKWGHDZFOJW-UHFFFAOYSA-N 0 0 421.885 3.275 50 0 HGAARN O=C(NCc1ccccn1)c1ccc(Oc2nccnc2N2CCSCC2)cc1 ZINC000067323992 571079189 /nfs/dbraw/zinc/07/91/89/571079189.db2.gz YIVFERFXIFEAGB-UHFFFAOYSA-N 0 0 407.499 3.147 50 0 HGAARN COc1ccc(S(=O)(=O)c2cnc(N(C)C3CCCCC3)nc2N)cc1Cl ZINC000067336055 571079816 /nfs/dbraw/zinc/07/98/16/571079816.db2.gz TYFFCFYZPDPXNK-UHFFFAOYSA-N 0 0 410.927 3.323 50 0 HGAARN COc1cc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc(OC)c1OC ZINC000067335948 571079852 /nfs/dbraw/zinc/07/98/52/571079852.db2.gz NRIQAVKWHOYGRU-UHFFFAOYSA-N 0 0 414.443 3.069 50 0 HGAARN O=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)c1cccc(Cl)c1 ZINC000008588016 571084103 /nfs/dbraw/zinc/08/41/03/571084103.db2.gz QDTANURCCOFUJE-UHFFFAOYSA-N 0 0 420.903 3.195 50 0 HGAARN CCc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038833687 571085372 /nfs/dbraw/zinc/08/53/72/571085372.db2.gz HKOWLVDBEAHSQD-SFHVURJKSA-N 0 0 408.907 3.458 50 0 HGAARN Cc1ccc(-c2noc(-c3nnn(CC(=O)Nc4ccc(C)c(Cl)c4)c3N)n2)cc1 ZINC000008591875 571086234 /nfs/dbraw/zinc/08/62/34/571086234.db2.gz PBRCJQJGRFSYEF-UHFFFAOYSA-N 0 0 423.864 3.486 50 0 HGAARN CS(=O)(=O)N1CC[C@@H](C(=O)NC2CCCCCC2)Oc2ccc(Cl)cc21 ZINC000038852372 571088419 /nfs/dbraw/zinc/08/84/19/571088419.db2.gz BEOQFRWIYFXJJA-KRWDZBQOSA-N 0 0 400.928 3.096 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccccc3)nc2C)c1 ZINC000008601145 571090201 /nfs/dbraw/zinc/09/02/01/571090201.db2.gz WQLFJSGTDIMGKB-UHFFFAOYSA-N 0 0 422.510 3.374 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)CSc2nccn2Cc2ccc3c(c2)OCO3)c1 ZINC000008601192 571090242 /nfs/dbraw/zinc/09/02/42/571090242.db2.gz FAIQTLBYDVKBAB-UHFFFAOYSA-N 0 0 424.482 3.349 50 0 HGAARN COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000008607857 571092985 /nfs/dbraw/zinc/09/29/85/571092985.db2.gz MSNZZIOKCIQHJH-UHFFFAOYSA-N 0 0 417.462 3.000 50 0 HGAARN COc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 ZINC000008613895 571095410 /nfs/dbraw/zinc/09/54/10/571095410.db2.gz HCIHMHVURTZERO-UHFFFAOYSA-N 0 0 422.506 3.377 50 0 HGAARN O=C(CCNS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1 ZINC000008661381 571099832 /nfs/dbraw/zinc/09/98/32/571099832.db2.gz LIJASCFNOKMJJO-UHFFFAOYSA-N 0 0 423.741 3.471 50 0 HGAARN COCCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000008666921 571100152 /nfs/dbraw/zinc/10/01/52/571100152.db2.gz FENQYRYNNIMBPR-UHFFFAOYSA-N 0 0 407.499 3.044 50 0 HGAARN C[C@@H]1CCc2c(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)csc2C1 ZINC000008669483 571100473 /nfs/dbraw/zinc/10/04/73/571100473.db2.gz RSQWRAHZWDBFFY-CYBMUJFWSA-N 0 0 418.490 3.266 50 0 HGAARN COc1ccc(NC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000008709222 571104356 /nfs/dbraw/zinc/10/43/56/571104356.db2.gz BPFCKNBUYSRNST-UHFFFAOYSA-N 0 0 416.421 3.411 50 0 HGAARN O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000008719927 571106754 /nfs/dbraw/zinc/10/67/54/571106754.db2.gz DHUIAXABLGTOAN-HXUWFJFHSA-N 0 0 415.449 3.483 50 0 HGAARN Nc1c([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccccn1 ZINC000008726389 571108566 /nfs/dbraw/zinc/10/85/66/571108566.db2.gz OPVLVOSIROTGKA-QGZVFWFLSA-N 0 0 405.405 3.317 50 0 HGAARN O=C(Cn1cc(Br)ccc1=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000008735185 571109686 /nfs/dbraw/zinc/10/96/86/571109686.db2.gz WAGRDQYQOGAWPX-CQSZACIVSA-N 0 0 416.231 3.175 50 0 HGAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2C)n1C ZINC000008735427 571109886 /nfs/dbraw/zinc/10/98/86/571109886.db2.gz OZMREVQJFKNYCS-IBGZPJMESA-N 0 0 408.527 3.199 50 0 HGAARN O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000008746779 571110862 /nfs/dbraw/zinc/11/08/62/571110862.db2.gz QASDBRFHJSMIDK-UHFFFAOYSA-N 0 0 417.465 3.438 50 0 HGAARN COc1ccccc1C1=NNC(=Nc2cc(S(=O)(=O)N(C)C)ccc2C)SC1 ZINC000008746888 571111085 /nfs/dbraw/zinc/11/10/85/571111085.db2.gz PSQLQLYBHZVFAL-UHFFFAOYSA-N 0 0 418.544 3.173 50 0 HGAARN C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000008751430 571112128 /nfs/dbraw/zinc/11/21/28/571112128.db2.gz LLQOLCNPHVIGRW-HKUYNNGSSA-N 0 0 418.501 3.389 50 0 HGAARN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000008751429 571112137 /nfs/dbraw/zinc/11/21/37/571112137.db2.gz LLQOLCNPHVIGRW-IEBWSBKVSA-N 0 0 418.501 3.389 50 0 HGAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000008750990 571112173 /nfs/dbraw/zinc/11/21/73/571112173.db2.gz COKLVYGPQDOQRD-INIZCTEOSA-N 0 0 406.573 3.311 50 0 HGAARN C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000008764302 571114686 /nfs/dbraw/zinc/11/46/86/571114686.db2.gz JCHMEGONFIBRDV-ZTNFWEORSA-N 0 0 410.518 3.106 50 0 biogenic HGAARN COc1ccc2c(CCNC(=O)COc3ccc4c(C)cc(=O)oc4c3)c[nH]c2c1 ZINC000008764633 571115008 /nfs/dbraw/zinc/11/50/08/571115008.db2.gz UAJMHRQMGNXTCM-UHFFFAOYSA-N 0 0 406.438 3.329 50 0 biogenic HGAARN Cc1cccc(N2C(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000008828026 571122456 /nfs/dbraw/zinc/12/24/56/571122456.db2.gz TWZHKRCPCGBKFS-IAGOWNOFSA-N 0 0 421.316 3.370 50 0 HGAARN Cc1cccc(N2C(=O)N(c3ccc(Br)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000008828025 571122530 /nfs/dbraw/zinc/12/25/30/571122530.db2.gz TWZHKRCPCGBKFS-IRXDYDNUSA-N 0 0 421.316 3.370 50 0 HGAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2CCC1=O ZINC000008840538 571123277 /nfs/dbraw/zinc/12/32/77/571123277.db2.gz FSPSXOFUPFSZFY-UHFFFAOYSA-N 0 0 404.488 3.194 50 0 HGAARN O=C(CSc1nc(CC(=O)NCc2ccncc2)cs1)Nc1ccc(F)cc1 ZINC000008852141 571127212 /nfs/dbraw/zinc/12/72/12/571127212.db2.gz HDJVJABAWGNFKM-UHFFFAOYSA-N 0 0 416.503 3.267 50 0 HGAARN CC(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 ZINC000039546087 571132859 /nfs/dbraw/zinc/13/28/59/571132859.db2.gz PPSGNTZQZVQZSK-UHFFFAOYSA-N 0 0 415.515 3.380 50 0 HGAARN Cc1cc(C)cc(NCCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000039975785 571135401 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CCOc1ccc2c(c1)s/c(=N\C(=O)c1cccc(N3C(=O)CCC3=O)c1)n2C ZINC000100815932 559269184 /nfs/dbraw/zinc/26/91/84/559269184.db2.gz AYDRRJGCKKQTCJ-DQRAZIAOSA-N 0 0 409.467 3.033 50 0 HGAARN C/C=C(\C)CN1CCc2c(C(=O)N(C)[C@@H](C)c3ccco3)c(OC)cc(=O)n2CC1 ZINC000011980199 559269715 /nfs/dbraw/zinc/26/97/15/559269715.db2.gz KAOAQGGRUSKUAC-ZSUDGLGESA-N 0 0 413.518 3.107 50 0 HGAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(F)c1)[C@H](c1ccc(F)cc1)N1CCCN21 ZINC000138551494 559286352 /nfs/dbraw/zinc/28/63/52/559286352.db2.gz WNFVFUSZNAITIF-OKZBNKHCSA-N 0 0 403.816 3.154 50 0 HGAARN COc1cccc(N2C[C@@H](NC(=O)Nc3ccc(Br)cc3)CC2=O)c1 ZINC000005189609 559291267 /nfs/dbraw/zinc/29/12/67/559291267.db2.gz BQFHEEYUGAAOKN-AWEZNQCLSA-N 0 0 404.264 3.385 50 0 HGAARN COc1cccc(N2C[C@H](NC(=O)Nc3cccc(Br)c3)CC2=O)c1 ZINC000005189598 559291273 /nfs/dbraw/zinc/29/12/73/559291273.db2.gz KHKOITCTWDPRRH-CQSZACIVSA-N 0 0 404.264 3.385 50 0 HGAARN C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nc2ccccc2s1 ZINC000061718899 559293220 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Cc1c(C(=O)OCC(=O)c2ccc(Cl)s2)sc2nc3n(c(=O)c12)CCC3 ZINC000005247038 560550768 /nfs/dbraw/zinc/55/07/68/560550768.db2.gz UQQZLOAUUYASMU-UHFFFAOYSA-N 0 0 408.888 3.467 50 0 HGAARN O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCCC2)Nc1ccccc1 ZINC000005263827 560553154 /nfs/dbraw/zinc/55/31/54/560553154.db2.gz SSMJJWAPPAWEBY-UHFFFAOYSA-N 0 0 406.511 3.296 50 0 HGAARN Cc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1 ZINC000005263844 560553181 /nfs/dbraw/zinc/55/31/81/560553181.db2.gz YSTPANUXLOTQGQ-UHFFFAOYSA-N 0 0 406.511 3.215 50 0 HGAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O ZINC000005264799 560553333 /nfs/dbraw/zinc/55/33/33/560553333.db2.gz JELFVHCBBTTXCE-HSZRJFAPSA-N 0 0 409.486 3.488 50 0 HGAARN Cn1c(=O)c2c3c(sc2nc1N1CCN(Cc2ccccc2Cl)CC1)CCC3 ZINC000061966197 560563688 /nfs/dbraw/zinc/56/36/88/560563688.db2.gz CDVINDNSNMDMDY-UHFFFAOYSA-N 0 0 414.962 3.459 50 0 HGAARN Cc1nc(SCCN2C(=O)c3ccccc3S2(=O)=O)[nH]c1Cc1ccccc1 ZINC000005312425 560564229 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COCCn1c2c(cc(F)cc2F)s/c1=N/C(=O)c1cccc(OC)c1OC ZINC000012237952 568455188 /nfs/dbraw/zinc/45/51/88/568455188.db2.gz MYVPIDVUSWVBAJ-ZBJSNUHESA-N 0 0 408.426 3.386 50 0 HGAARN O=C(c1ccc(Oc2ccccc2)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000006640249 568456815 /nfs/dbraw/zinc/45/68/15/568456815.db2.gz AXFDERWCVZKNKU-WIYYLYMNSA-N 0 0 415.511 3.287 50 0 HGAARN O=C(N/C(=C/c1ccccc1)C(=O)N1CCOCC1)c1cccc(Br)c1 ZINC000000657903 568459685 /nfs/dbraw/zinc/45/96/85/568459685.db2.gz UGKVPOHNPITCMJ-QGOAFFKASA-N 0 0 415.287 3.079 50 0 HGAARN CCOC(=O)CN1c2ccccc2CC[C@H](Sc2nnc(-c3ccncc3)o2)C1=O ZINC000000684918 568461785 /nfs/dbraw/zinc/46/17/85/568461785.db2.gz KINJZGJGHWCBNR-KRWDZBQOSA-N 0 0 424.482 3.135 50 0 HGAARN O=C(CCCNC(=O)N1CCc2c3ccccc3[nH]c2C1)Nc1ccc2c(c1)OCO2 ZINC000012296339 568462610 /nfs/dbraw/zinc/46/26/10/568462610.db2.gz SQEMIRAKMBPSPI-UHFFFAOYSA-N 0 0 420.469 3.383 50 0 biogenic HGAARN Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n(C)c(=O)c2c1C ZINC000021370338 568463285 /nfs/dbraw/zinc/46/32/85/568463285.db2.gz GDMREEZJOIVFSX-NSHDSACASA-N 0 0 417.512 3.460 50 0 HGAARN CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000000708962 568463949 /nfs/dbraw/zinc/46/39/49/568463949.db2.gz WOKQMTFMWLCVKI-FQEVSTJZSA-N 0 0 411.458 3.456 50 0 HGAARN COc1ccc(C(=O)Oc2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1 ZINC000000708512 568463980 /nfs/dbraw/zinc/46/39/80/568463980.db2.gz QSKCGOOOUWBWOQ-UHFFFAOYSA-N 0 0 408.435 3.475 50 0 HGAARN Cn1c2ncn(Cc3ccccc3)c2c(=O)n(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000000718427 568465856 /nfs/dbraw/zinc/46/58/56/568465856.db2.gz BPQYPVMGQRWAIS-UHFFFAOYSA-N 0 0 402.498 3.291 50 0 HGAARN CCOC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2Cl)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000000719636 568465948 /nfs/dbraw/zinc/46/59/48/568465948.db2.gz PNSNPZMMVZBGOH-DRCTWCGVSA-N 0 0 415.195 3.120 50 0 HGAARN CCc1c(-c2ccccc2)n(C2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000000719308 568466012 /nfs/dbraw/zinc/46/60/12/568466012.db2.gz ZMUVVCSEOCGPIL-UHFFFAOYSA-N 0 0 405.502 3.421 50 0 HGAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CCc2ccccc2C1 ZINC000012314866 568466412 /nfs/dbraw/zinc/46/64/12/568466412.db2.gz LBBOKWLQIDKWJJ-XMMPIXPASA-N 0 0 413.521 3.115 50 0 HGAARN COc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012321668 568471051 /nfs/dbraw/zinc/47/10/51/568471051.db2.gz VUKUJFKTUGTWGR-IBGZPJMESA-N 0 0 405.498 3.388 50 0 HGAARN CCOC(=O)CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 ZINC000012323120 568471266 /nfs/dbraw/zinc/47/12/66/568471266.db2.gz SOSVEMRXWVHOFF-UHFFFAOYSA-N 0 0 403.895 3.275 50 0 HGAARN CC(C)NC(=O)CSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 ZINC000012322549 568471344 /nfs/dbraw/zinc/47/13/44/568471344.db2.gz HCCJVMLMKVDGCW-UHFFFAOYSA-N 0 0 416.938 3.237 50 0 HGAARN O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2c[nH]c3ccccc23)N1Cc1ccncc1 ZINC000012324636 568471760 /nfs/dbraw/zinc/47/17/60/568471760.db2.gz IPBXYRWZQMLCNI-JTHBVZDNSA-N 0 0 419.506 3.412 50 0 HGAARN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000008061146 568489902 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ZINC000033270890 568512320 /nfs/dbraw/zinc/51/23/20/568512320.db2.gz XAXXVKDFARMDHQ-UHFFFAOYSA-N 0 0 411.447 3.015 50 0 HGAARN CCn1c2nnc(CCC(=O)NCc3ccccc3Cl)n2c2ccsc2c1=O ZINC000033267916 568512340 /nfs/dbraw/zinc/51/23/40/568512340.db2.gz MJZBPBHYNFUSJN-UHFFFAOYSA-N 0 0 415.906 3.028 50 0 HGAARN CS(=O)(=O)Nc1cc(NC(=O)c2cc(F)ccc2Br)ccc1F ZINC000024929451 568514451 /nfs/dbraw/zinc/51/44/51/568514451.db2.gz DSIRQZQGTFAPLY-UHFFFAOYSA-N 0 0 405.220 3.351 50 0 HGAARN Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@@H](CC(C)C)c3nnc4ccccn43)C2)n1 ZINC000223212358 568541159 /nfs/dbraw/zinc/54/11/59/568541159.db2.gz QUKLEIFHGKWLTA-OALUTQOASA-N 0 0 421.549 3.256 50 0 HGAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](c3nc4ccccc4n3C)C(C)C)CC2=O)cc1 ZINC000223213500 568541273 /nfs/dbraw/zinc/54/12/73/568541273.db2.gz ONHLJZQFBRTEOK-OPAMFIHVSA-N 0 0 420.513 3.448 50 0 HGAARN COc1ccccc1NC(=O)C(=O)N1NC(C2CCCCC2)=C[C@@]1(O)C(F)(F)F ZINC000020059989 568587008 /nfs/dbraw/zinc/58/70/08/568587008.db2.gz INDVDENVCSNEFZ-GOSISDBHSA-N 0 0 413.396 3.053 50 0 HGAARN CC(C)c1ccc(/C=C/C(=O)OCC(=O)NC(=O)NCCc2cccs2)cc1 ZINC000020067719 568587228 /nfs/dbraw/zinc/58/72/28/568587228.db2.gz FBVHZNHDLNFUFE-JXMROGBWSA-N 0 0 400.500 3.496 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1 ZINC000020321161 568598872 /nfs/dbraw/zinc/59/88/72/568598872.db2.gz RKBKSBWJKXNNQO-UHFFFAOYSA-N 0 0 402.458 3.424 50 0 HGAARN Cc1ccc(NC(=O)CN(C)C(=O)COc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000039561641 568599572 /nfs/dbraw/zinc/59/95/72/568599572.db2.gz NNFUZGWHROLMKA-UHFFFAOYSA-N 0 0 424.526 3.354 50 0 HGAARN NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000095350236 568600752 /nfs/dbraw/zinc/60/07/52/568600752.db2.gz ZSYJYDADDZHANL-FQEVSTJZSA-N 0 0 407.905 3.146 50 0 HGAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000095350862 568601009 /nfs/dbraw/zinc/60/10/09/568601009.db2.gz MGXOEKKMSXHYIG-BDJLRTHQSA-N 0 0 413.301 3.301 50 0 HGAARN O=C(CCc1ccc2ccccc2c1)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000095393526 568604206 /nfs/dbraw/zinc/60/42/06/568604206.db2.gz KBFKQQPTOQNPCC-UHFFFAOYSA-N 0 0 415.537 3.233 50 0 HGAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccc(F)c1)C2=O ZINC000095405512 568605954 /nfs/dbraw/zinc/60/59/54/568605954.db2.gz QVLADQDXUGMXDM-BTYIYWSLSA-N 0 0 405.470 3.331 50 0 HGAARN COCCOc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000095408757 568606513 /nfs/dbraw/zinc/60/65/13/568606513.db2.gz UFHCVKVXCCPFBB-SJORKVTESA-N 0 0 404.507 3.326 50 0 HGAARN CC(C)C[C@H](NC(=O)COc1cccc(NC(=O)C2CC2)c1)C(=O)OC(C)(C)C ZINC000095415721 568606977 /nfs/dbraw/zinc/60/69/77/568606977.db2.gz DAVGYCPARRJPAE-SFHVURJKSA-N 0 0 404.507 3.287 50 0 HGAARN Cc1cc(C)n2nc(SCCNC(=O)c3cccnc3Oc3ccccc3)nc2n1 ZINC000095428486 568608295 /nfs/dbraw/zinc/60/82/95/568608295.db2.gz IOBYFERQZOCSPH-UHFFFAOYSA-N 0 0 420.498 3.451 50 0 HGAARN COc1ccc([C@@H](O)[C@@H]2CCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000095432313 568609182 /nfs/dbraw/zinc/60/91/82/568609182.db2.gz MKAIXMIZJFJEBC-FXAWDEMLSA-N 0 0 413.499 3.464 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3.165 50 0 HGAARN CCCCCc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)s1 ZINC000012583589 568865616 /nfs/dbraw/zinc/86/56/16/568865616.db2.gz GMPUGDGKTUDUKJ-MRXNPFEDSA-N 0 0 422.576 3.371 50 0 HGAARN COc1cc(CCC(=O)OCC(=O)NCc2ccc(Cl)cc2)cc(OC)c1OC ZINC000003244544 568866867 /nfs/dbraw/zinc/86/68/67/568866867.db2.gz OXDVTJZJQMHWLO-UHFFFAOYSA-N 0 0 421.877 3.158 50 0 HGAARN CCOC(=O)c1[nH]c(COC(=O)[C@]2(C)CC2(Cl)Cl)c(C(=O)OCC)c1C ZINC000003247306 568867260 /nfs/dbraw/zinc/86/72/60/568867260.db2.gz IDNWBIGHNIQADG-INIZCTEOSA-N 0 0 406.262 3.304 50 0 HGAARN COC(=O)CCCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000012604792 568870842 /nfs/dbraw/zinc/87/08/42/568870842.db2.gz ZFHXDZFXWIFYQL-UHFFFAOYSA-N 0 0 418.515 3.259 50 0 HGAARN COc1ccc([C@H](O)CNC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000057996525 568873307 /nfs/dbraw/zinc/87/33/07/568873307.db2.gz UJKWDMYLJOHXHM-OAHLLOKOSA-N 0 0 423.263 3.084 50 0 HGAARN O=C(c1cn2ccccc2n1)N1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000299779891 568875001 /nfs/dbraw/zinc/87/50/01/568875001.db2.gz OHBDVXMRDAKKMR-XLIONFOSSA-N 0 0 406.461 3.240 50 0 HGAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000015317870 568876867 /nfs/dbraw/zinc/87/68/67/568876867.db2.gz ZIZXMZZKRAIDLH-UHFFFAOYSA-N 0 0 421.434 3.445 50 0 HGAARN CCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc4c(c3)OCO4)N2C1=S ZINC000004026822 568878185 /nfs/dbraw/zinc/87/81/85/568878185.db2.gz XNVVWACSNFHGPK-JXFKEZNVSA-N 0 0 405.479 3.360 50 0 biogenic HGAARN COC(=O)c1ccc(COC(=O)c2cc(I)ccc2O)cc1 ZINC000003316332 568879364 /nfs/dbraw/zinc/87/93/64/568879364.db2.gz NHLGHRJDIBDVAC-UHFFFAOYSA-N 0 0 412.179 3.140 50 0 HGAARN CCOc1ccc(CCNC(=O)[C@@H]2CCC(=O)N2C2CCCCC2)cc1OCC ZINC000004034772 568879475 /nfs/dbraw/zinc/87/94/75/568879475.db2.gz VMLQZKGLSNZLNN-IBGZPJMESA-N 0 0 402.535 3.466 50 0 HGAARN C[C@@H](OC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003321438 568880451 /nfs/dbraw/zinc/88/04/51/568880451.db2.gz NMSNGGJPFNSAKP-LLVKDONJSA-N 0 0 420.256 3.217 50 0 HGAARN CCCN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000003326125 568881325 /nfs/dbraw/zinc/88/13/25/568881325.db2.gz BSZMACTVTWBKPB-UHFFFAOYSA-N 0 0 412.914 3.239 50 0 HGAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1 ZINC000003333974 568882459 /nfs/dbraw/zinc/88/24/59/568882459.db2.gz LHJWTSGHTWXBCV-UHFFFAOYSA-N 0 0 400.456 3.043 50 0 HGAARN COc1cc([C@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc(OC)c1OC ZINC000004073389 568882379 /nfs/dbraw/zinc/88/23/79/568882379.db2.gz ASKJYRFEUKZQKF-HIFRSBDPSA-N 0 0 413.474 3.006 50 0 biogenic HGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@]31C ZINC000004073295 568882462 /nfs/dbraw/zinc/88/24/62/568882462.db2.gz BWBUFHYNUAEQPI-OWJWWREXSA-N 0 0 403.482 3.380 50 0 biogenic HGAARN CCCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(OC)cc1 ZINC000003334611 568882577 /nfs/dbraw/zinc/88/25/77/568882577.db2.gz RSQGZOCPDDMTEF-OAHLLOKOSA-N 0 0 405.524 3.065 50 0 HGAARN CC(C)OC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccncc1)CCCC2 ZINC000003338360 568883063 /nfs/dbraw/zinc/88/30/63/568883063.db2.gz WGCZVSTXVNJJAZ-UHFFFAOYSA-N 0 0 402.472 3.383 50 0 HGAARN Cc1ccc(C)c(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1 ZINC000003337674 568883120 /nfs/dbraw/zinc/88/31/20/568883120.db2.gz SFCAGEPTKFHBOD-UHFFFAOYSA-N 0 0 423.918 3.239 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cc2)C[C@@H](C)O1 ZINC000014598128 568883161 /nfs/dbraw/zinc/88/31/61/568883161.db2.gz KTGJVSWFPZDTEU-WIRSXHRWSA-N 0 0 420.575 3.279 50 0 HGAARN Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)n1 ZINC000003340368 568883687 /nfs/dbraw/zinc/88/36/87/568883687.db2.gz WYJLSFDTPTXTDC-UHFFFAOYSA-N 0 0 413.524 3.451 50 0 HGAARN COc1cccc(-c2cc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)c1 ZINC000012637546 568883715 /nfs/dbraw/zinc/88/37/15/568883715.db2.gz SMBNBYYEDNAFHA-HNNXBMFYSA-N 0 0 409.417 3.159 50 0 HGAARN COc1ccc(-c2cc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)no2)cc1 ZINC000012638314 568884097 /nfs/dbraw/zinc/88/40/97/568884097.db2.gz KBZSRMJNUXXCRR-MRXNPFEDSA-N 0 0 421.453 3.028 50 0 HGAARN C[C@@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003343918 568884141 /nfs/dbraw/zinc/88/41/41/568884141.db2.gz KDANAPKHNXNSFC-SNVBAGLBSA-N 0 0 404.435 3.472 50 0 HGAARN Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)N[C@H](C)Cc3ccco3)c(=O)c12 ZINC000015729844 568884655 /nfs/dbraw/zinc/88/46/55/568884655.db2.gz ABRDJEZSEMRDAF-OAHLLOKOSA-N 0 0 404.470 3.144 50 0 HGAARN CCN(c1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1)C(C)C ZINC000003359436 568887391 /nfs/dbraw/zinc/88/73/91/568887391.db2.gz PAOPXFSLLUTVNI-UHFFFAOYSA-N 0 0 400.523 3.361 50 0 HGAARN CC(=O)Nc1ccc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000003364412 568888734 /nfs/dbraw/zinc/88/87/34/568888734.db2.gz SCZUCMOZMISHSV-UHFFFAOYSA-N 0 0 405.907 3.488 50 0 HGAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccccc1 ZINC000003373055 568890874 /nfs/dbraw/zinc/89/08/74/568890874.db2.gz QGTPZLPYTIWFNM-CQSZACIVSA-N 0 0 418.405 3.260 50 0 HGAARN O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N[C@@H]1CCCc2ccccc21 ZINC000003381071 568892358 /nfs/dbraw/zinc/89/23/58/568892358.db2.gz MDSFCFLKPIFVGO-QGZVFWFLSA-N 0 0 423.437 3.034 50 0 HGAARN CCN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2OC)CC1 ZINC000058148884 568892429 /nfs/dbraw/zinc/89/24/29/568892429.db2.gz BGFYYGVCZDLWFK-UHFFFAOYSA-N 0 0 404.514 3.385 50 0 HGAARN O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(F)c(F)c1F ZINC000058159249 568894061 /nfs/dbraw/zinc/89/40/61/568894061.db2.gz KIHQHDMSDUUZHF-UHFFFAOYSA-N 0 0 420.174 3.104 50 0 HGAARN COc1ccccc1NC(=O)COC(=O)c1ccccc1I ZINC000003391541 568894518 /nfs/dbraw/zinc/89/45/18/568894518.db2.gz MEBDOUIJNCNSHS-UHFFFAOYSA-N 0 0 411.195 3.095 50 0 HGAARN COc1ccccc1-c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccc(C)cc1 ZINC000003401736 568896836 /nfs/dbraw/zinc/89/68/36/568896836.db2.gz FOJDJJBHPILYJN-UHFFFAOYSA-N 0 0 422.510 3.492 50 0 HGAARN CCn1c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2[nH]c(=O)c1=O ZINC000003403580 568896867 /nfs/dbraw/zinc/89/68/67/568896867.db2.gz CTUYWDFNORZELD-UHFFFAOYSA-N 0 0 402.248 3.033 50 0 HGAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC=C(c3ccccc3)CC1)C2=O ZINC000003406652 568897364 /nfs/dbraw/zinc/89/73/64/568897364.db2.gz YBSUAFHBGBTWLX-BXKMTCNYSA-N 0 0 409.530 3.439 50 0 HGAARN O=C(NC[C@H]1CCCO1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000003417356 568899240 /nfs/dbraw/zinc/89/92/40/568899240.db2.gz CWDYRFODLYVLRF-CQSZACIVSA-N 0 0 412.870 3.189 50 0 HGAARN COc1ccc(CN(C)C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1OC ZINC000003420759 568899786 /nfs/dbraw/zinc/89/97/86/568899786.db2.gz AEUVQRPAPDSABL-UHFFFAOYSA-N 0 0 423.465 3.336 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000003425330 568900327 /nfs/dbraw/zinc/90/03/27/568900327.db2.gz LGWHSGCXGVRRCU-MRXNPFEDSA-N 0 0 400.862 3.237 50 0 HGAARN COc1cccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccc(C)cc2)c1 ZINC000003427184 568900709 /nfs/dbraw/zinc/90/07/09/568900709.db2.gz HQAWUYTWJAQPML-UHFFFAOYSA-N 0 0 424.526 3.202 50 0 HGAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(-c2ccco2)o1 ZINC000003428459 568900972 /nfs/dbraw/zinc/90/09/72/568900972.db2.gz MBENETUEPIOKEH-UHFFFAOYSA-N 0 0 406.851 3.172 50 0 HGAARN CCc1ccc2c(COC(=O)[C@H]3CC(=O)N(c4ccccc4OC)C3)cc(=O)oc2c1 ZINC000003436586 568902670 /nfs/dbraw/zinc/90/26/70/568902670.db2.gz HFGUYGXXTRKGDV-INIZCTEOSA-N 0 0 421.449 3.460 50 0 HGAARN CCOc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1OCC ZINC000003441693 568903843 /nfs/dbraw/zinc/90/38/43/568903843.db2.gz HIIQYWPZUVZWDL-UHFFFAOYSA-N 0 0 401.415 3.051 50 0 HGAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NCC(F)(F)F ZINC000003447585 568904850 /nfs/dbraw/zinc/90/48/50/568904850.db2.gz RZCDBSIIXYUINW-UHFFFAOYSA-N 0 0 411.380 3.295 50 0 HGAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)c2cc1Cl ZINC000003450374 568905560 /nfs/dbraw/zinc/90/55/60/568905560.db2.gz JWCYUFDRYVONHL-JOCHJYFZSA-N 0 0 424.840 3.485 50 0 HGAARN Cc1cc(Br)ccc1NC(=O)COC(=O)Cc1ccc2c(c1)OCCO2 ZINC000003451389 568905808 /nfs/dbraw/zinc/90/58/08/568905808.db2.gz QVZXXOPPZFUSDO-UHFFFAOYSA-N 0 0 420.259 3.253 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)C[C@@H](C)O1 ZINC000003452047 568905984 /nfs/dbraw/zinc/90/59/84/568905984.db2.gz DHLZKRNKFFBUPO-HUUCEWRRSA-N 0 0 422.934 3.068 50 0 HGAARN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000012653385 568906620 /nfs/dbraw/zinc/90/66/20/568906620.db2.gz IYGIFJVRPPAQNN-UHFFFAOYSA-N 0 0 420.434 3.046 50 0 HGAARN CCOc1c(I)cc(C(C)=O)cc1I ZINC000004258592 568906718 /nfs/dbraw/zinc/90/67/18/568906718.db2.gz MGDGDBUBFWRWIC-UHFFFAOYSA-N 0 0 415.996 3.497 50 0 HGAARN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)CCO1 ZINC000030975115 568906820 /nfs/dbraw/zinc/90/68/20/568906820.db2.gz AAUURKLVXSIVHO-SECBINFHSA-N 0 0 408.302 3.166 50 0 HGAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccc(Cl)cc1Cl ZINC000003463768 568907141 /nfs/dbraw/zinc/90/71/41/568907141.db2.gz OIRFVYPOSHOFNL-FQEVSTJZSA-N 0 0 418.280 3.003 50 0 HGAARN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NC1CCCCC1 ZINC000003482518 568908452 /nfs/dbraw/zinc/90/84/52/568908452.db2.gz CKRKNNXLWMGYHT-UHFFFAOYSA-N 0 0 406.438 3.093 50 0 HGAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000003488834 568909212 /nfs/dbraw/zinc/90/92/12/568909212.db2.gz VDRGKTIGRBAZAG-IAGOWNOFSA-N 0 0 410.470 3.040 50 0 HGAARN Cc1cc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)ccc1Br ZINC000003497742 568909872 /nfs/dbraw/zinc/90/98/72/568909872.db2.gz OBFMEXPAZNDBCY-MRXNPFEDSA-N 0 0 406.232 3.079 50 0 HGAARN CC(C)CNC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000003499329 568910019 /nfs/dbraw/zinc/91/00/19/568910019.db2.gz FGJMPGQONBUGLS-UHFFFAOYSA-N 0 0 414.845 3.070 50 0 HGAARN O=C1OCC2=C1[C@@H](c1cccs1)NC(=O)N2Cc1nc(C2CCCCC2)no1 ZINC000263616047 568910800 /nfs/dbraw/zinc/91/08/00/568910800.db2.gz GQYCSWACLTYQKR-MRXNPFEDSA-N 0 0 400.460 3.256 50 0 HGAARN COC(=O)C[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 ZINC000031052432 568911178 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CS(=O)(=O)N(CC(=O)N1CC=C(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000031109481 568914304 /nfs/dbraw/zinc/91/43/04/568914304.db2.gz LCNHEOZZVJCRCR-UHFFFAOYSA-N 0 0 404.919 3.422 50 0 HGAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NCCc4ccccc4)c(=O)c32)C1 ZINC000001321049 568914326 /nfs/dbraw/zinc/91/43/26/568914326.db2.gz FTEKWVJGSRRQIA-INIZCTEOSA-N 0 0 424.570 3.363 50 0 HGAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000004306702 568915416 /nfs/dbraw/zinc/91/54/16/568915416.db2.gz RQGXWCKVPFLGPY-DEOSSOPVSA-N 0 0 419.456 3.105 50 0 HGAARN COc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000003561928 568916062 /nfs/dbraw/zinc/91/60/62/568916062.db2.gz ZLUGNTXFROVAPT-CYBMUJFWSA-N 0 0 409.533 3.276 50 0 HGAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c1C ZINC000003567899 568916379 /nfs/dbraw/zinc/91/63/79/568916379.db2.gz GXRMOTJTSZQNGV-OAQYLSRUSA-N 0 0 412.467 3.189 50 0 HGAARN CCc1ccc(CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C2CC2)cc1 ZINC000083823654 568917688 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Cc1ccc(-c2nc(C)c(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)s2)o1 ZINC000031263403 568920938 /nfs/dbraw/zinc/92/09/38/568920938.db2.gz RBZBRUSLLPBMDP-UHFFFAOYSA-N 0 0 416.503 3.004 50 0 HGAARN O=C(OCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCCCN1c1ncccn1 ZINC000031272583 568921603 /nfs/dbraw/zinc/92/16/03/568921603.db2.gz WJQXZNJGRXRLDH-MRXNPFEDSA-N 0 0 403.866 3.394 50 0 HGAARN CNC(=O)[C@H](NC(=O)CN1CCCSc2ccc(Cl)cc21)c1ccccc1 ZINC000083881780 568922092 /nfs/dbraw/zinc/92/20/92/568922092.db2.gz SZYYMQGLCPMBML-LJQANCHMSA-N 0 0 403.935 3.246 50 0 HGAARN Cc1ccc(-c2nc(NC(=O)CSc3nnnn3-c3ccccc3)ns2)cc1 ZINC000003655259 568922966 /nfs/dbraw/zinc/92/29/66/568922966.db2.gz FUAPQTIQMIGVKB-UHFFFAOYSA-N 0 0 409.500 3.220 50 0 aggregator HGAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)C1CCN(C(=O)C2CC2)CC1 ZINC000012732960 568923064 /nfs/dbraw/zinc/92/30/64/568923064.db2.gz KOKIQHRLOPMBPL-UHFFFAOYSA-N 0 0 406.408 3.478 50 0 HGAARN Cc1ccc(S(=O)(=O)C[C@@](C)(O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001388629 568923133 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Cc1oc(-c2cccs2)nc1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000084052875 568933762 /nfs/dbraw/zinc/93/37/62/568933762.db2.gz IXKFTJXLSYBEFJ-ZWKOTPCHSA-N 0 0 409.511 3.437 50 0 HGAARN COc1ccc([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(OC)c1 ZINC000004029311 568934321 /nfs/dbraw/zinc/93/43/21/568934321.db2.gz YLFOXWHTQSYROJ-SJORKVTESA-N 0 0 401.459 3.094 50 0 biogenic HGAARN Cc1cccc(CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2cccc(C)c2)c1 ZINC000004061368 568937082 /nfs/dbraw/zinc/93/70/82/568937082.db2.gz PBJBKFBJAVKTJL-UHFFFAOYSA-N 0 0 419.510 3.144 50 0 HGAARN Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2C)c1 ZINC000004061367 568937194 /nfs/dbraw/zinc/93/71/94/568937194.db2.gz VNQKQLPPSOKQRF-UHFFFAOYSA-N 0 0 419.510 3.144 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C)cc2C)c1 ZINC000004070980 568937810 /nfs/dbraw/zinc/93/78/10/568937810.db2.gz ATBPOVJWRNXNDO-UHFFFAOYSA-N 0 0 420.531 3.360 50 0 HGAARN Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 ZINC000096170461 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CN(c1ccccc1C(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000001117906 557188792 /nfs/dbraw/zinc/18/87/92/557188792.db2.gz DGJIFEPVQFYRPI-UHFFFAOYSA-N 0 0 410.451 3.493 50 0 HGAARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2F)cc1OC ZINC000001120666 557190606 /nfs/dbraw/zinc/19/06/06/557190606.db2.gz QQTBGJVESNTUHK-GOSISDBHSA-N 0 0 401.463 3.274 50 0 HGAARN CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccccc1Br ZINC000001126029 557195307 /nfs/dbraw/zinc/19/53/07/557195307.db2.gz ZEPPDDUNNBQQDB-UHFFFAOYSA-N 0 0 403.342 3.054 50 0 HGAARN O=c1/c(=C/c2cccc3ccccc23)sc2nc([C@@H]3COc4ccccc4O3)nn12 ZINC000001126597 557195846 /nfs/dbraw/zinc/19/58/46/557195846.db2.gz BNKKSEZTEARSBO-SCWSXOCZSA-N 0 0 413.458 3.364 50 0 HGAARN Cc1ccccc1CN(c1ccc(C(=O)NCc2ccccn2)cc1)S(C)(=O)=O ZINC000001131769 557198802 /nfs/dbraw/zinc/19/88/02/557198802.db2.gz FJUKISIGNRRZQH-UHFFFAOYSA-N 0 0 409.511 3.286 50 0 HGAARN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OC ZINC000001132657 557199351 /nfs/dbraw/zinc/19/93/51/557199351.db2.gz XXJBXSVVYXABQR-NTUHNPAUSA-N 0 0 418.515 3.433 50 0 HGAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000001134496 557200569 /nfs/dbraw/zinc/20/05/69/557200569.db2.gz LCHRZDVEZNGIHO-UHFFFAOYSA-N 0 0 420.490 3.060 50 0 HGAARN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(SC)c1)S(C)(=O)=O ZINC000001135277 557200944 /nfs/dbraw/zinc/20/09/44/557200944.db2.gz DZEFCARWYWTJEG-UHFFFAOYSA-N 0 0 414.936 3.475 50 0 HGAARN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000001138168 557202355 /nfs/dbraw/zinc/20/23/55/557202355.db2.gz CKGDXEODIWVBDB-NSHDSACASA-N 0 0 400.859 3.281 50 0 HGAARN Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000001141474 557204515 /nfs/dbraw/zinc/20/45/15/557204515.db2.gz DKKJXZIOQGKUEL-UHFFFAOYSA-N 0 0 416.543 3.301 50 0 HGAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000001148307 557209505 /nfs/dbraw/zinc/20/95/05/557209505.db2.gz ACWCPTYMYXZGQM-JKSUJKDBSA-N 0 0 417.531 3.008 50 0 HGAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000001157514 557215241 /nfs/dbraw/zinc/21/52/41/557215241.db2.gz VKCDMSNOWSSASE-UHFFFAOYSA-N 0 0 405.428 3.043 50 0 HGAARN COc1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 ZINC000001169988 557223248 /nfs/dbraw/zinc/22/32/48/557223248.db2.gz XILGDBOGRZYCCY-UHFFFAOYSA-N 0 0 412.252 3.427 50 0 HGAARN CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCc1ccc2c(c1)OCO2 ZINC000001189398 557235830 /nfs/dbraw/zinc/23/58/30/557235830.db2.gz KBDOSEYWQRLZPH-HXUWFJFHSA-N 0 0 410.426 3.185 50 0 HGAARN COc1cccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(C)cc3)s2)c1 ZINC000001194826 557237405 /nfs/dbraw/zinc/23/74/05/557237405.db2.gz PTKIFNFNUWXPNO-UHFFFAOYSA-N 0 0 417.512 3.124 50 0 HGAARN COc1ccc(Cl)cc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1 ZINC000001204300 557240445 /nfs/dbraw/zinc/24/04/45/557240445.db2.gz NEWTWRRLSGCHCV-UHFFFAOYSA-N 0 0 408.907 3.166 50 0 HGAARN COc1ccc(/C=C2\SC(=O)N(CCC(=O)N3CCCCC3)C2=O)cc1OC ZINC000001236521 557250221 /nfs/dbraw/zinc/25/02/21/557250221.db2.gz QFIZESLHASAFES-LGMDPLHJSA-N 0 0 404.488 3.143 50 0 HGAARN Cc1sc2nc(COC(=O)c3ccc(CN4CCCC4=O)cc3)nc(N)c2c1C ZINC000010536375 557258740 /nfs/dbraw/zinc/25/87/40/557258740.db2.gz XVJMPVQOLGDJJY-UHFFFAOYSA-N 0 0 410.499 3.370 50 0 HGAARN COc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1 ZINC000001410560 557259359 /nfs/dbraw/zinc/25/93/59/557259359.db2.gz KOPICZOAYBFUMG-UHFFFAOYSA-N 0 0 404.426 3.455 50 0 HGAARN Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)n1C ZINC000001423914 557261282 /nfs/dbraw/zinc/26/12/82/557261282.db2.gz FSAOJMSMQGZSPQ-UHFFFAOYSA-N 0 0 411.527 3.359 50 0 HGAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CC2)cc1 ZINC000001443728 557265205 /nfs/dbraw/zinc/26/52/05/557265205.db2.gz XWRQKQSXBQXPLO-IBGZPJMESA-N 0 0 421.453 3.110 50 0 HGAARN COC(=O)c1ccccc1NC(=O)CSc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000001927619 557296861 /nfs/dbraw/zinc/29/68/61/557296861.db2.gz JQKVYQSXRAHOGT-UHFFFAOYSA-N 0 0 403.485 3.119 50 0 HGAARN O=C(NCCOc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)s1 ZINC000002171005 557321595 /nfs/dbraw/zinc/32/15/95/557321595.db2.gz NNFICICZPUGMDY-UHFFFAOYSA-N 0 0 410.495 3.366 50 0 HGAARN O=C(NC(=S)Nc1c2nsnc2ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000002219005 557327851 /nfs/dbraw/zinc/32/78/51/557327851.db2.gz IFRRDZMECXBCPH-UHFFFAOYSA-N 0 0 406.876 3.243 50 0 HGAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000002235984 557329937 /nfs/dbraw/zinc/32/99/37/557329937.db2.gz LDLDGBVDPDCDKF-LJQANCHMSA-N 0 0 409.421 3.362 50 0 HGAARN COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1OC ZINC000002382599 557342617 /nfs/dbraw/zinc/34/26/17/557342617.db2.gz YJFWAYMUQHNJKE-UHFFFAOYSA-N 0 0 419.528 3.360 50 0 HGAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cccnc2)C1=O ZINC000002493097 557352378 /nfs/dbraw/zinc/35/23/78/557352378.db2.gz IIHMEZLVOGGTDE-IBGZPJMESA-N 0 0 403.276 3.451 50 0 HGAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2N)cc1 ZINC000002522416 557354229 /nfs/dbraw/zinc/35/42/29/557354229.db2.gz PVHMKFVAWURJLW-UHFFFAOYSA-N 0 0 403.895 3.360 50 0 HGAARN CCC(=O)N[C@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000002706983 557369299 /nfs/dbraw/zinc/36/92/99/557369299.db2.gz GMKMOBPOCJIYQT-GFCCVEGCSA-N 0 0 411.742 3.154 50 0 HGAARN Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C[C@H](O)Cc3ccccc3)CCO2)cc1 ZINC000034691691 557372047 /nfs/dbraw/zinc/37/20/47/557372047.db2.gz VWPHGRZTSBAFER-RPBOFIJWSA-N 0 0 422.569 3.152 50 0 HGAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1 ZINC000002768893 557383018 /nfs/dbraw/zinc/38/30/18/557383018.db2.gz QJFKOXKQGSDERM-UHFFFAOYSA-N 0 0 411.416 3.484 50 0 HGAARN COc1ccc([C@H]2C[C@H](C(=O)NCc3ccccc3)CN(C(=O)C3CC3)C2)cc1OC ZINC000034709295 557389777 /nfs/dbraw/zinc/38/97/77/557389777.db2.gz PXWWHSKBLLFOOS-SFTDATJTSA-N 0 0 422.525 3.362 50 0 HGAARN CCc1ccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000002813815 557394671 /nfs/dbraw/zinc/39/46/71/557394671.db2.gz ZEXJPMAWJJMQDK-UHFFFAOYSA-N 0 0 420.600 3.373 50 0 HGAARN Cc1ccc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1C ZINC000002816924 557395295 /nfs/dbraw/zinc/39/52/95/557395295.db2.gz WAIKBQHCDUWSLW-UHFFFAOYSA-N 0 0 420.600 3.427 50 0 HGAARN Cc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)s1 ZINC000002836946 557399530 /nfs/dbraw/zinc/39/95/30/557399530.db2.gz WJVSDMKFJIXCSK-UHFFFAOYSA-N 0 0 423.527 3.279 50 0 HGAARN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000002840596 557400597 /nfs/dbraw/zinc/40/05/97/557400597.db2.gz QLWIOIKZSBZHSX-CYBMUJFWSA-N 0 0 416.499 3.487 50 0 HGAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NC[C@H]1CCCO1 ZINC000002848486 557403582 /nfs/dbraw/zinc/40/35/82/557403582.db2.gz RUDIOIKZUAWUEA-OAHLLOKOSA-N 0 0 400.529 3.383 50 0 HGAARN CCc1ccc(N(CC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)S(C)(=O)=O)cc1 ZINC000002851750 557404903 /nfs/dbraw/zinc/40/49/03/557404903.db2.gz NAYZZNSRBFINDW-UHFFFAOYSA-N 0 0 424.906 3.094 50 0 HGAARN NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000002852420 557405427 /nfs/dbraw/zinc/40/54/27/557405427.db2.gz XSEOMLHRXWGZDK-UHFFFAOYSA-N 0 0 407.851 3.398 50 0 HGAARN COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)NCc2ccco2)cc1 ZINC000002854850 557406624 /nfs/dbraw/zinc/40/66/24/557406624.db2.gz UAQARPQWAMBNIM-STZFKDTASA-N 0 0 406.438 3.384 50 0 HGAARN Cc1ccc(N2C(=O)N[C@](NC(=O)c3ccccc3Cl)(C(F)(F)F)C2=O)cc1 ZINC000002863542 557411042 /nfs/dbraw/zinc/41/10/42/557411042.db2.gz KQIRMSCRIZETMQ-KRWDZBQOSA-N 0 0 411.767 3.393 50 0 HGAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccs1 ZINC000002867217 557412816 /nfs/dbraw/zinc/41/28/16/557412816.db2.gz DHGATFCYKJWTET-CQSZACIVSA-N 0 0 403.769 3.146 50 0 HGAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 ZINC000002881981 557419626 /nfs/dbraw/zinc/41/96/26/557419626.db2.gz HFCFHLAUGZJMMT-UHFFFAOYSA-N 0 0 400.456 3.084 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1C ZINC000002883190 557420530 /nfs/dbraw/zinc/42/05/30/557420530.db2.gz VLYPZKVDIDAUSB-KRWDZBQOSA-N 0 0 408.564 3.243 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000002884535 557421158 /nfs/dbraw/zinc/42/11/58/557421158.db2.gz JCMOLNHJMDQERX-HNNXBMFYSA-N 0 0 403.504 3.055 50 0 HGAARN CC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000002958500 557431133 /nfs/dbraw/zinc/43/11/33/557431133.db2.gz KLEVSHUIIYIRQB-AWEZNQCLSA-N 0 0 410.923 3.459 50 0 HGAARN COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)C2CC2)C1 ZINC000034731599 557433991 /nfs/dbraw/zinc/43/39/91/557433991.db2.gz JKUXKAHUPAETAZ-FCHUYYIVSA-N 0 0 406.526 3.396 50 0 HGAARN O=S(=O)(c1cc(Br)cc(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F ZINC000002983467 557436155 /nfs/dbraw/zinc/43/61/55/557436155.db2.gz DVJMZFGDOCDEQO-UHFFFAOYSA-N 0 0 421.134 3.036 50 0 HGAARN CC(C)c1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 ZINC000002991231 557437685 /nfs/dbraw/zinc/43/76/85/557437685.db2.gz UUKOBQQBMIZBAP-UHFFFAOYSA-N 0 0 406.573 3.485 50 0 HGAARN CCCCN1C(=O)N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O ZINC000003017247 557441881 /nfs/dbraw/zinc/44/18/81/557441881.db2.gz XEZXWOUMAASMFO-AWEZNQCLSA-N 0 0 412.195 3.334 50 0 HGAARN CCOC(=O)c1cc(CSc2n[nH]c(=O)n2-c2ccccc2C(F)(F)F)on1 ZINC000003119935 557448170 /nfs/dbraw/zinc/44/81/70/557448170.db2.gz OWZJENAMSYFSBQ-UHFFFAOYSA-N 0 0 414.365 3.036 50 0 HGAARN CS(=O)(=O)Nc1cccc(CNC(=O)CCSc2ccc(F)c(F)c2)c1 ZINC000010548618 557448446 /nfs/dbraw/zinc/44/84/46/557448446.db2.gz AAHKJGXJKBQDAJ-UHFFFAOYSA-N 0 0 400.472 3.135 50 0 HGAARN Cc1cccc(CNS(=O)(=O)[C@H]2CON(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000034738665 557448723 /nfs/dbraw/zinc/44/87/23/557448723.db2.gz UZUJVYCADVRNII-ZWKOTPCHSA-N 0 0 414.449 3.420 50 0 HGAARN CN1OC[C@@H](S(=O)(=O)N2CCCCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000034738983 557449908 /nfs/dbraw/zinc/44/99/08/557449908.db2.gz DVVVBOXYXQWIGY-YADHBBJMSA-N 0 0 416.543 3.368 50 0 HGAARN CN1OC[C@@H](S(=O)(=O)NCCc2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739037 557449998 /nfs/dbraw/zinc/44/99/98/557449998.db2.gz OPYWWEIMZNOKPI-RTWAWAEBSA-N 0 0 402.560 3.433 50 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COc1cccc2c1ccn2CCNC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1 ZINC000095478257 568631578 /nfs/dbraw/zinc/63/15/78/568631578.db2.gz IHJKHEPVZCWGNK-UHFFFAOYSA-N 0 0 404.474 3.314 50 0 HGAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCc1nc2ccccc2n1C(C)C ZINC000095479741 568632809 /nfs/dbraw/zinc/63/28/09/568632809.db2.gz LASGLDZBFUKAFW-UHFFFAOYSA-N 0 0 407.449 3.091 50 0 HGAARN CC(C)(C)O[C@H]1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000225424052 568637074 /nfs/dbraw/zinc/63/70/74/568637074.db2.gz BZGFRGYKEPSIBR-XJKSGUPXSA-N 0 0 413.440 3.182 50 0 HGAARN CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000225441491 568638328 /nfs/dbraw/zinc/63/83/28/568638328.db2.gz PZFZUALIGRBUSA-INIZCTEOSA-N 0 0 419.403 3.496 50 0 HGAARN Cc1oc2c(ccc3c2CN(CCN2CCOCC2)CO3)c(=O)c1-c1ccccc1 ZINC000020648046 568639295 /nfs/dbraw/zinc/63/92/95/568639295.db2.gz GOTRWURFJBIIQD-UHFFFAOYSA-N 0 0 406.482 3.253 50 0 biogenic HGAARN CNC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)c1ccccc1 ZINC000225475944 568641272 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CCOc1ccc(CNC(=O)CCCn2nc(C)n3c4ccoc4cc3c2=O)cc1 ZINC000020863376 568646179 /nfs/dbraw/zinc/64/61/79/568646179.db2.gz UIVIICHNUVQARQ-UHFFFAOYSA-N 0 0 408.458 3.046 50 0 HGAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc(OC(=O)c3ccc(F)cc3)c2)S1 ZINC000020896580 568649086 /nfs/dbraw/zinc/64/90/86/568649086.db2.gz PZDSSPIYYZXKGP-KRWDZBQOSA-N 0 0 401.419 3.046 50 0 HGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000020933916 568652029 /nfs/dbraw/zinc/65/20/29/568652029.db2.gz QKBVDODVKKLZJY-MRXNPFEDSA-N 0 0 410.449 3.217 50 0 HGAARN Cc1cccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1C ZINC000020940546 568652591 /nfs/dbraw/zinc/65/25/91/568652591.db2.gz YEUAQXPHLZPVSG-CYBMUJFWSA-N 0 0 418.540 3.396 50 0 HGAARN CCOCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020942336 568652914 /nfs/dbraw/zinc/65/29/14/568652914.db2.gz CORDKXMJHIDUMZ-UHFFFAOYSA-N 0 0 421.497 3.366 50 0 HGAARN Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)NCc3ccc(F)cc3)c(=O)c12 ZINC000020947048 568653617 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CN(C)S(=O)(=O)c1ccc(SC[C@H](O)COc2ccccc2C(C)(C)C)nc1 ZINC000012550760 568853271 /nfs/dbraw/zinc/85/32/71/568853271.db2.gz FIKJFFOPAPVZIB-OAHLLOKOSA-N 0 0 424.588 3.161 50 0 HGAARN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1nc(-c2ccco2)no1 ZINC000029974269 568854341 /nfs/dbraw/zinc/85/43/41/568854341.db2.gz PMZDCIXTQMXSAC-UHFFFAOYSA-N 0 0 405.252 3.471 50 0 HGAARN Cc1ccc(-n2c(SCc3ncc(Cl)n3C)nnc2N2CCOCC2)cc1 ZINC000012553145 568854569 /nfs/dbraw/zinc/85/45/69/568854569.db2.gz FAWOCKZVBWATFY-UHFFFAOYSA-N 0 0 404.927 3.092 50 0 HGAARN O=C(N[C@@H](CO)Cc1ccccc1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000230209211 568854873 /nfs/dbraw/zinc/85/48/73/568854873.db2.gz MEVTZQKHWKPRLG-GGAORHGYSA-N 0 0 400.478 3.104 50 0 biogenic HGAARN COc1ccccc1[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1nccn1C ZINC000012560233 568857541 /nfs/dbraw/zinc/85/75/41/568857541.db2.gz FTKCVQSIFSOIKX-NRFANRHFSA-N 0 0 411.527 3.375 50 0 HGAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)c(OC)c2)N1C(C)=O ZINC000003136023 568858007 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O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N1CCOCC1 ZINC000003293267 568874118 /nfs/dbraw/zinc/87/41/18/568874118.db2.gz WZBFJNTVKGIPKM-UHFFFAOYSA-N 0 0 418.906 3.191 50 0 HGAARN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccccc4)no3)CCC2=O)cc1 ZINC000299779116 568875000 /nfs/dbraw/zinc/87/50/00/568875000.db2.gz SAFLBDDMXHRIKW-UHFFFAOYSA-N 0 0 405.454 3.225 50 0 HGAARN COc1ccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000003297576 568875606 /nfs/dbraw/zinc/87/56/06/568875606.db2.gz HEFRUSVOTSBPHR-SFHVURJKSA-N 0 0 420.531 3.344 50 0 HGAARN CCOC(=O)c1cnn(-c2cccc(C)c2C)c1CN1CCC[C@@H](c2nncn2C)C1 ZINC000299790089 568875835 /nfs/dbraw/zinc/87/58/35/568875835.db2.gz AUBHGELYUZUVIA-GOSISDBHSA-N 0 0 422.533 3.174 50 0 HGAARN CCSc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cn1 ZINC000058011192 568875891 /nfs/dbraw/zinc/87/58/91/568875891.db2.gz YJCJCTRWRUVRRU-UHFFFAOYSA-N 0 0 409.533 3.141 50 0 HGAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000003299833 568875969 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Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1F ZINC000003319359 568880097 /nfs/dbraw/zinc/88/00/97/568880097.db2.gz GBMNLTMAMQOAMU-IBGZPJMESA-N 0 0 424.428 3.250 50 0 HGAARN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)N1CCN(c2ncccc2Cl)CC1 ZINC000058047887 568880212 /nfs/dbraw/zinc/88/02/12/568880212.db2.gz DDQJCXDHCVEMRU-UHFFFAOYSA-N 0 0 422.272 3.073 50 0 HGAARN CCc1ccc2nc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)sc2c1 ZINC000003324806 568880984 /nfs/dbraw/zinc/88/09/84/568880984.db2.gz BAVLPEXGJQPLHH-FKIZINRSSA-N 0 0 400.504 3.298 50 0 HGAARN O=C(COC(=O)c1ccc2c(c1)OCCO2)NCCc1ccc(Cl)cc1Cl ZINC000003326313 568881349 /nfs/dbraw/zinc/88/13/49/568881349.db2.gz FZGIVTCOYVJTDF-UHFFFAOYSA-N 0 0 410.253 3.280 50 0 HGAARN NS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 ZINC000004071747 568882187 /nfs/dbraw/zinc/88/21/87/568882187.db2.gz DXNYTGOJGCOTQS-UHFFFAOYSA-N 0 0 401.391 3.215 50 0 HGAARN CN1CCN(NC(C(=O)Nc2ccc(F)cc2)(c2ccccc2)c2ccccc2)CC1 ZINC000019170614 568882194 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Cn1c(=O)c2c(SCc3ccc(Cl)cc3)nc(-c3ccco3)nc2n(C)c1=O ZINC000004139164 568945960 /nfs/dbraw/zinc/94/59/60/568945960.db2.gz RVVZZJQUTDIFGS-UHFFFAOYSA-N 0 0 414.874 3.233 50 0 HGAARN O=C(N[C@H](Cn1cccn1)c1ccccc1)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000670459593 568946160 /nfs/dbraw/zinc/94/61/60/568946160.db2.gz RLMNHKVSSCSQBK-YOTRHBAISA-N 0 0 416.529 3.328 50 0 HGAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1C ZINC000012763951 568947277 /nfs/dbraw/zinc/94/72/77/568947277.db2.gz JNHQHEXBMABJBA-UHFFFAOYSA-N 0 0 417.462 3.316 50 0 HGAARN COc1cc(OC)cc(C(=O)N(c2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 ZINC000004165228 568948000 /nfs/dbraw/zinc/94/80/00/568948000.db2.gz FBUYZGIETIBEQD-MRXNPFEDSA-N 0 0 407.875 3.315 50 0 HGAARN Cc1cccc(NC(=O)CN2CCN(C(=O)CCOc3ccccc3C)CC2)c1C ZINC000012767214 568949125 /nfs/dbraw/zinc/94/91/25/568949125.db2.gz LUCSTZHAVCYJHA-UHFFFAOYSA-N 0 0 409.530 3.164 50 0 HGAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000004183496 568949713 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CC(=O)Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br ZINC000001436592 568956041 /nfs/dbraw/zinc/95/60/41/568956041.db2.gz LUFHXOSJQMGNDT-UHFFFAOYSA-N 0 0 423.126 3.145 50 0 HGAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000012778394 568956170 /nfs/dbraw/zinc/95/61/70/568956170.db2.gz AGWNGOZESROGHU-IBGZPJMESA-N 0 0 417.462 3.100 50 0 HGAARN O=C1Cc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc3c2N1CCC3 ZINC000004270337 568956576 /nfs/dbraw/zinc/95/65/76/568956576.db2.gz FKPDTEUEOHSGCF-UHFFFAOYSA-N 0 0 412.389 3.221 50 0 HGAARN Cc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 ZINC000004272083 568957152 /nfs/dbraw/zinc/95/71/52/568957152.db2.gz WWVWAMXLLJSJHB-UHFFFAOYSA-N 0 0 403.482 3.071 50 0 HGAARN CC[C@@]1(C)NC(=O)N(CC(=O)Oc2ccc3cc(Br)ccc3c2)C1=O ZINC000084734965 568957417 /nfs/dbraw/zinc/95/74/17/568957417.db2.gz IIHMUVSZBBBKFV-GOSISDBHSA-N 0 0 405.248 3.228 50 0 HGAARN COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc(OC)c1OC ZINC000012781050 568957667 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CSc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1NC(C)=O ZINC000012784008 568958874 /nfs/dbraw/zinc/95/88/74/568958874.db2.gz VQNYJQDRFZIUMN-UHFFFAOYSA-N 0 0 401.419 3.206 50 0 HGAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c2ccccc2S1 ZINC000004288954 568959353 /nfs/dbraw/zinc/95/93/53/568959353.db2.gz CALIHJWWQATEOJ-QRQCRPRQSA-N 0 0 409.511 3.371 50 0 HGAARN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)C1 ZINC000084792616 568959690 /nfs/dbraw/zinc/95/96/90/568959690.db2.gz DOKJMKAUDYOWMH-AWEZNQCLSA-N 0 0 424.423 3.482 50 0 HGAARN Cc1cc(C)c(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000012786376 568960216 /nfs/dbraw/zinc/96/02/16/568960216.db2.gz YPVWWQWOHOAYTA-HNNXBMFYSA-N 0 0 410.923 3.178 50 0 HGAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2nc3nc(C)cc(C)n3n2)cc1 ZINC000015671408 568962178 /nfs/dbraw/zinc/96/21/78/568962178.db2.gz AQYZZPUNBQQFLK-UHFFFAOYSA-N 0 0 407.499 3.445 50 0 HGAARN CCCCN(C(=O)c1nn(C)c2c1COc1ccccc1-2)C1CCN(C(C)=O)CC1 ZINC000015674345 568962753 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biogenic HGAARN CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000225275246 569039858 /nfs/dbraw/zinc/03/98/58/569039858.db2.gz QPIVHZKZXYGHAS-YGOAZIPFSA-N 0 0 407.536 3.023 50 0 HGAARN CCOc1ccc(/C=C/C(=O)N(CC)CC(=O)NCc2cccs2)cc1OC ZINC000012880772 569040543 /nfs/dbraw/zinc/04/05/43/569040543.db2.gz GKQUDCWRZPNHFY-PKNBQFBNSA-N 0 0 402.516 3.334 50 0 HGAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000229795503 569040717 /nfs/dbraw/zinc/04/07/17/569040717.db2.gz QDMCVTDZHWVRPE-BFHYXJOUSA-N 0 0 422.469 3.307 50 0 HGAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)n(C)c2)C1 ZINC000035507829 569040975 /nfs/dbraw/zinc/04/09/75/569040975.db2.gz CTIQMSBRKUBMFI-MRXNPFEDSA-N 0 0 401.532 3.039 50 0 HGAARN Cc1noc(-c2ccc(N3CC[C@H](NC(=O)c4ccc(F)c(Cl)c4)C3)nc2)n1 ZINC000090591957 569041476 /nfs/dbraw/zinc/04/14/76/569041476.db2.gz XWUTYOIOWMTNAT-AWEZNQCLSA-N 0 0 401.829 3.241 50 0 HGAARN Cc1nnsc1C(=O)N1CC(Oc2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000090594111 569041627 /nfs/dbraw/zinc/04/16/27/569041627.db2.gz IDBQJNCDURSSLW-UHFFFAOYSA-N 0 0 400.407 3.378 50 0 HGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000090609078 569042381 /nfs/dbraw/zinc/04/23/81/569042381.db2.gz PJJCIYGSQMYUAG-KRWDZBQOSA-N 0 0 412.983 3.164 50 0 HGAARN O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)NCc1ccccc1Cl ZINC000090613761 569042869 /nfs/dbraw/zinc/04/28/69/569042869.db2.gz GBSOYYSVVDNRFV-KRWDZBQOSA-N 0 0 420.943 3.477 50 0 HGAARN C[C@H](NC(=O)C(=O)NCc1ccc([C@@H](O)c2cccs2)s1)c1ccccc1 ZINC000090613738 569042885 /nfs/dbraw/zinc/04/28/85/569042885.db2.gz PHBRAGJVDZMCRN-UGSOOPFHSA-N 0 0 400.525 3.385 50 0 HGAARN C/C=C\C(=O)Nc1scc2c1c(=O)n(-c1ccc(F)cc1)nc2C(=O)OCC ZINC000006327627 569043308 /nfs/dbraw/zinc/04/33/08/569043308.db2.gz REVBIXOBIPBVST-HYXAFXHYSA-N 0 0 401.419 3.278 50 0 HGAARN CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCN(CC)C2 ZINC000006325993 569043335 /nfs/dbraw/zinc/04/33/35/569043335.db2.gz RCJSIHMNXKPNJZ-INIZCTEOSA-N 0 0 416.499 3.081 50 0 HGAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000035526949 569043829 /nfs/dbraw/zinc/04/38/29/569043829.db2.gz ZSVIYHHMPFTHNF-OAQYLSRUSA-N 0 0 422.497 3.380 50 0 HGAARN Cc1ccccc1CNC(=O)C1(C)CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000035531540 569044355 /nfs/dbraw/zinc/04/43/55/569044355.db2.gz GOUIEMQTZVAMDZ-UHFFFAOYSA-N 0 0 422.497 3.380 50 0 HGAARN O=C(CSc1ncnc2nc(N3CCCC3)sc21)NCc1ccc(F)cc1 ZINC000035533178 569044451 /nfs/dbraw/zinc/04/44/51/569044451.db2.gz PJFATHWFMSBCHJ-UHFFFAOYSA-N 0 0 403.508 3.234 50 0 HGAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(-c4noc(C)n4)cc3)CC2)c1 ZINC000035552579 569044577 /nfs/dbraw/zinc/04/45/77/569044577.db2.gz GDHNWFJBNVBGPY-UHFFFAOYSA-N 0 0 408.458 3.025 50 0 HGAARN CCOc1ccc(CNS(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)cc1OC ZINC000035556909 569044678 /nfs/dbraw/zinc/04/46/78/569044678.db2.gz OLAJVHYGLZLEMJ-UHFFFAOYSA-N 0 0 417.487 3.239 50 0 HGAARN CCOc1ccc(-c2nc3s/c(=C/C=C/c4ccccc4OC)c(=O)n3n2)cc1 ZINC000006355371 569045205 /nfs/dbraw/zinc/04/52/05/569045205.db2.gz ZYMQFPGNHWLQDV-ZLLVOAMZSA-N 0 0 405.479 3.438 50 0 HGAARN CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cccc4ccccc34)c(=O)n2n1 ZINC000006363593 569045987 /nfs/dbraw/zinc/04/59/87/569045987.db2.gz KBPUKVXDOJEIHP-MOSHPQCFSA-N 0 0 413.458 3.444 50 0 HGAARN Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc4c(c3)OCO4)c(Cl)cc12 ZINC000006365687 569046067 /nfs/dbraw/zinc/04/60/67/569046067.db2.gz PGNRMKQYUVKXQI-UHFFFAOYSA-N 0 0 401.802 3.179 50 0 HGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccncc2)CO[C@@]12CCC[C@H](C)C2 ZINC000035638767 569046753 /nfs/dbraw/zinc/04/67/53/569046753.db2.gz OLUINMKGEBVEDD-CODAWKSHSA-N 0 0 407.514 3.454 50 0 HGAARN COc1ccc(Br)cc1CN(C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000012987424 569047534 /nfs/dbraw/zinc/04/75/34/569047534.db2.gz RFFHMOAPADUQHH-OAHLLOKOSA-N 0 0 421.291 3.439 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000028468130 569047803 /nfs/dbraw/zinc/04/78/03/569047803.db2.gz FYTFCCSFQSKICL-XNTDXEJSSA-N 0 0 416.543 3.098 50 0 HGAARN O=C(/C=C/c1ccco1)NCC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000040086616 569048089 /nfs/dbraw/zinc/04/80/89/569048089.db2.gz KJFCUYTXHPYFBK-ZHACJKMWSA-N 0 0 405.458 3.033 50 0 HGAARN CCN(CC(=O)Nc1cc(Cl)c(OC)cc1OC)C[C@@H]1COc2ccccc2O1 ZINC000012996269 569048272 /nfs/dbraw/zinc/04/82/72/569048272.db2.gz WCEODEPYWZMYSY-CQSZACIVSA-N 0 0 420.893 3.458 50 0 HGAARN CC(C)[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)NC[C@@H]1CCCO1 ZINC000035664104 569048656 /nfs/dbraw/zinc/04/86/56/569048656.db2.gz BOWXLXWEKWGFFT-UGSOOPFHSA-N 0 0 405.882 3.045 50 0 HGAARN CSc1cccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c1 ZINC000012999820 569049159 /nfs/dbraw/zinc/04/91/59/569049159.db2.gz FMWYSCJAFSFRNP-KRWDZBQOSA-N 0 0 403.529 3.110 50 0 HGAARN COc1ccc(OCCN2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 ZINC000012999657 569049188 /nfs/dbraw/zinc/04/91/88/569049188.db2.gz ZXDHGWZHQYHHJC-UHFFFAOYSA-N 0 0 406.482 3.391 50 0 HGAARN Cc1cc2[nH]c(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)cc2c(C)c1 ZINC000013003666 569049393 /nfs/dbraw/zinc/04/93/93/569049393.db2.gz JKJBUTJFNJLNJO-ROUUACIJSA-N 0 0 410.562 3.047 50 0 HGAARN COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(N4CCOCC4)nc3)ccc2c1 ZINC000013004872 569049564 /nfs/dbraw/zinc/04/95/64/569049564.db2.gz RIPGDCAXQRMPBK-QGZVFWFLSA-N 0 0 405.498 3.500 50 0 HGAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000013005716 569049589 /nfs/dbraw/zinc/04/95/89/569049589.db2.gz REPQMBWUEYJVPA-LBPRGKRZSA-N 0 0 404.435 3.054 50 0 HGAARN CCCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000013009973 569049960 /nfs/dbraw/zinc/04/99/60/569049960.db2.gz QLMXKCWZAPJOBY-INIZCTEOSA-N 0 0 402.564 3.333 50 0 HGAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(F)(F)F)C1CC1 ZINC000013009546 569050008 /nfs/dbraw/zinc/05/00/08/569050008.db2.gz AUAOZRFQCQBPTA-UHFFFAOYSA-N 0 0 406.426 3.151 50 0 HGAARN O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(F)c1 ZINC000013014980 569050785 /nfs/dbraw/zinc/05/07/85/569050785.db2.gz DZDPVZSEYIEYMB-UHFFFAOYSA-N 0 0 407.442 3.202 50 0 HGAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000013013448 569050890 /nfs/dbraw/zinc/05/08/90/569050890.db2.gz JUJGLLBWLAHFGX-KRWDZBQOSA-N 0 0 403.486 3.068 50 0 HGAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000013016978 569050932 /nfs/dbraw/zinc/05/09/32/569050932.db2.gz JSQLUTUQAGEFSZ-ZDUSSCGKSA-N 0 0 413.499 3.229 50 0 HGAARN CCCCN1C(=O)C(=CNc2ccc(C)c([N+](=O)[O-])c2)C(=O)N(CCCCl)C1=O ZINC000007030178 569051713 /nfs/dbraw/zinc/05/17/13/569051713.db2.gz SAIHEHAITSHYKM-NTCAYCPXSA-N 0 0 422.869 3.419 50 0 HGAARN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000242302418 569055037 /nfs/dbraw/zinc/05/50/37/569055037.db2.gz YSLBWRPUMNMGPC-KMUNFCNLSA-N 0 0 403.832 3.416 50 0 HGAARN Cc1ccccc1N1C(=O)C([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)C([O-])=NC1=S ZINC000001850070 569056592 /nfs/dbraw/zinc/05/65/92/569056592.db2.gz URJSDWPFBDPTKH-IBGZPJMESA-N 0 0 404.495 3.252 50 0 biogenic HGAARN O=C(NCCc1ccccc1Cl)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 ZINC000247725573 569057493 /nfs/dbraw/zinc/05/74/93/569057493.db2.gz DDYZAUYMRJFZTB-QAQDUYKDSA-N 0 0 413.905 3.432 50 0 HGAARN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]34)C2O)cc1 ZINC000248083372 569057546 /nfs/dbraw/zinc/05/75/46/569057546.db2.gz DNFVZNPHOQSYCX-MUGJNUQGSA-N 0 0 408.885 3.484 50 0 HGAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)NC1CCCCC1 ZINC000006465933 569057876 /nfs/dbraw/zinc/05/78/76/569057876.db2.gz USMXZPWPHQNHQK-DEOSSOPVSA-N 0 0 405.498 3.125 50 0 HGAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1c(F)cccc1F ZINC000016517559 569058460 /nfs/dbraw/zinc/05/84/60/569058460.db2.gz YIWIQCWJNHBUKE-GOSISDBHSA-N 0 0 402.353 3.411 50 0 HGAARN Fc1ccccc1N1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000054152561 569059949 /nfs/dbraw/zinc/05/99/49/569059949.db2.gz BGSHRIUSLYQWIQ-UHFFFAOYSA-N 0 0 406.387 3.142 50 0 HGAARN C[C@H](Oc1ccccc1Cl)C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000089420153 569060114 /nfs/dbraw/zinc/06/01/14/569060114.db2.gz TUWKKUVMTGUWDH-AWEZNQCLSA-N 0 0 404.898 3.102 50 0 HGAARN CC[C@]1(c2ccc(NC(=O)c3ccc(F)c(NC(C)=O)c3)cc2)CCC(=O)NC1=O ZINC000054199339 569060123 /nfs/dbraw/zinc/06/01/23/569060123.db2.gz KKIPGSJVOIGNEM-JOCHJYFZSA-N 0 0 411.433 3.121 50 0 HGAARN C[C@H](Nc1ncnc2nc[nH]c21)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC000035943168 569060918 /nfs/dbraw/zinc/06/09/18/569060918.db2.gz BVUBLIHUYSRSFE-LBPRGKRZSA-N 0 0 401.405 3.364 50 0 HGAARN CC(C)C[C@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000054253705 569061587 /nfs/dbraw/zinc/06/15/87/569061587.db2.gz XCABACVEJLDWJS-FGTMMUONSA-N 0 0 408.454 3.097 50 0 HGAARN Cc1c(NC(=O)c2cc3c(c(Cl)c2)OCO3)cccc1C(=O)N1CCOCC1 ZINC000054262520 569061891 /nfs/dbraw/zinc/06/18/91/569061891.db2.gz JERFYAYDELKJMD-UHFFFAOYSA-N 0 0 402.834 3.102 50 0 HGAARN COc1ccccc1C(=O)N1CCN(c2nc(C)cc(Nc3ccccc3)n2)CC1 ZINC000064450167 569062746 /nfs/dbraw/zinc/06/27/46/569062746.db2.gz JRBDXXAYBQRWRH-UHFFFAOYSA-N 0 0 403.486 3.500 50 0 HGAARN 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O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCCNC(=O)c1ccc(Cl)cc1 ZINC000027621744 569379288 /nfs/dbraw/zinc/37/92/88/569379288.db2.gz KGPVYZRBOKSJGF-LFYBBSHMSA-N 0 0 411.889 3.026 50 0 HGAARN O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000253471057 569381124 /nfs/dbraw/zinc/38/11/24/569381124.db2.gz AXJUQYWFOSKNGS-GOSISDBHSA-N 0 0 408.838 3.124 50 0 HGAARN O=C(CCSc1ccccc1)NCCN1Cc2cc(Cl)ccc2OCC1=O ZINC000253473840 569381512 /nfs/dbraw/zinc/38/15/12/569381512.db2.gz ZDHSVNYITMHZIG-UHFFFAOYSA-N 0 0 404.919 3.360 50 0 HGAARN COc1ccc2c(c1)ncc(C(=O)N[C@H](CCSC)c1nnc3ccccn31)c2O ZINC000253496598 569382005 /nfs/dbraw/zinc/38/20/05/569382005.db2.gz VQOSELJRTGQWKJ-MRXNPFEDSA-N 0 0 423.498 3.216 50 0 HGAARN CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)NCCC1=CCCCC1 ZINC000007938845 569385186 /nfs/dbraw/zinc/38/51/86/569385186.db2.gz SCTBVBHSORONOG-UHFFFAOYSA-N 0 0 404.532 3.030 50 0 HGAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O)c1cccc(Cl)c1 ZINC000002369737 569388712 /nfs/dbraw/zinc/38/87/12/569388712.db2.gz XYYSLMUUIMZTRI-MRXNPFEDSA-N 0 0 415.730 3.428 50 0 HGAARN CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000002371673 569388908 /nfs/dbraw/zinc/38/89/08/569388908.db2.gz QNJGCBSAJXWUHN-PIIWDFAUSA-N 0 0 409.419 3.409 50 0 HGAARN O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000253409614 569388957 /nfs/dbraw/zinc/38/89/57/569388957.db2.gz MCNZGGDYLGBSEO-HXUWFJFHSA-N 0 0 401.470 3.417 50 0 HGAARN Cc1cccc(NC(=O)NCc2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 ZINC000064991498 569390858 /nfs/dbraw/zinc/39/08/58/569390858.db2.gz QVNAQNYCNRSDAQ-UHFFFAOYSA-N 0 0 411.443 3.149 50 0 HGAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 ZINC000002387453 569392206 /nfs/dbraw/zinc/39/22/06/569392206.db2.gz OCOKTGIGXXFNFX-MRXNPFEDSA-N 0 0 415.730 3.224 50 0 HGAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)cc1 ZINC000002422039 569398055 /nfs/dbraw/zinc/39/80/55/569398055.db2.gz MZYKLNKXLNEETE-UHFFFAOYSA-N 0 0 418.320 3.461 50 0 HGAARN CCOC(=O)c1ccc(Oc2c(C)oc3cc(OS(C)(=O)=O)ccc3c2=O)cc1 ZINC000002435064 569399516 /nfs/dbraw/zinc/39/95/16/569399516.db2.gz CSQPQYMEFQHEIF-UHFFFAOYSA-N 0 0 418.423 3.409 50 0 biogenic HGAARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000002445804 569401324 /nfs/dbraw/zinc/40/13/24/569401324.db2.gz YTFVYAFNUVVYJG-UHFFFAOYSA-N 0 0 419.466 3.334 50 0 HGAARN Cc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000012492178 569401595 /nfs/dbraw/zinc/40/15/95/569401595.db2.gz AWXQBYFKQXUATF-BOPFTXTBSA-N 0 0 409.467 3.460 50 0 HGAARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000012708521 569402917 /nfs/dbraw/zinc/40/29/17/569402917.db2.gz PKERVYTUEJQACN-FQEVSTJZSA-N 0 0 411.458 3.369 50 0 HGAARN Cc1ccc(C(=O)NCC(=O)N(C)CCOc2ccc(Br)cc2)cc1 ZINC000012780667 569403323 /nfs/dbraw/zinc/40/33/23/569403323.db2.gz PHQQEOHZGFTTEE-UHFFFAOYSA-N 0 0 405.292 3.025 50 0 HGAARN Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2Cl)nn1-c1ccccc1F ZINC000012814837 569403771 /nfs/dbraw/zinc/40/37/71/569403771.db2.gz WIPOOEVYNVNYFA-UHFFFAOYSA-N 0 0 415.852 3.484 50 0 HGAARN Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c1C ZINC000012856956 569404048 /nfs/dbraw/zinc/40/40/48/569404048.db2.gz YAMKZGSUDKHOOV-UHFFFAOYSA-N 0 0 402.560 3.231 50 0 HGAARN COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc2c1 ZINC000012894975 569404673 /nfs/dbraw/zinc/40/46/73/569404673.db2.gz ZIHVVWRXGHTCIZ-UHFFFAOYSA-N 0 0 421.405 3.406 50 0 biogenic HGAARN COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc(Cl)c1OC ZINC000012903924 569404773 /nfs/dbraw/zinc/40/47/73/569404773.db2.gz AZFYFGMHNJBXKQ-HNNXBMFYSA-N 0 0 410.923 3.222 50 0 HGAARN COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc(Cl)c1OCC(N)=O ZINC000012906655 569404917 /nfs/dbraw/zinc/40/49/17/569404917.db2.gz JJBUTJDLFUGTLF-LLVKDONJSA-N 0 0 402.834 3.450 50 0 HGAARN CN(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccccc1 ZINC000013060761 569408355 /nfs/dbraw/zinc/40/83/55/569408355.db2.gz PXSXNEBDGQQVJF-UHFFFAOYSA-N 0 0 421.950 3.195 50 0 HGAARN C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000013073257 569408714 /nfs/dbraw/zinc/40/87/14/569408714.db2.gz TVPUVJLDUBUMNG-ZDUSSCGKSA-N 0 0 416.421 3.131 50 0 HGAARN Cc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2c(C)cccc2C)n1 ZINC000013098262 569409081 /nfs/dbraw/zinc/40/90/81/569409081.db2.gz ABCMJBATHZSNMA-UHFFFAOYSA-N 0 0 405.506 3.193 50 0 HGAARN CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nc2ccccc2c1=O ZINC000013117969 569409546 /nfs/dbraw/zinc/40/95/46/569409546.db2.gz GZFDSIYWOZXSHL-CQSZACIVSA-N 0 0 422.510 3.272 50 0 HGAARN CC(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000013351717 569411229 /nfs/dbraw/zinc/41/12/29/569411229.db2.gz NYMIDHCKPZXWNA-UHFFFAOYSA-N 0 0 407.514 3.450 50 0 HGAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cscn3)CC2)cc1 ZINC000013354187 569411250 /nfs/dbraw/zinc/41/12/50/569411250.db2.gz FWELNHOGNHMLHB-UHFFFAOYSA-N 0 0 421.588 3.158 50 0 HGAARN COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C)sc4n3)c2)cc1 ZINC000013367885 569412296 /nfs/dbraw/zinc/41/22/96/569412296.db2.gz KAFMPQULRVGPFI-UHFFFAOYSA-N 0 0 422.466 3.299 50 0 HGAARN COc1cccc(-c2cc(C(=O)N3CCN(Cc4cc(F)ccc4OC)CC3)[nH]n2)c1 ZINC000013366668 569412298 /nfs/dbraw/zinc/41/22/98/569412298.db2.gz JFNOTCZUSBYXBL-UHFFFAOYSA-N 0 0 424.476 3.191 50 0 HGAARN Cc1cc2nc(COc3cccc(NC(=O)COc4ccccc4F)c3)cc(=O)n2o1 ZINC000013368489 569412421 /nfs/dbraw/zinc/41/24/21/569412421.db2.gz LHAMJBVCWHULKA-UHFFFAOYSA-N 0 0 423.400 3.332 50 0 HGAARN NS(=O)(=O)c1ccc(OCCOC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000019312943 569416231 /nfs/dbraw/zinc/41/62/31/569416231.db2.gz QTLPQAVTCGUSBP-UHFFFAOYSA-N 0 0 423.918 3.421 50 0 HGAARN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C[C@H](c2ccccc2)O1 ZINC000078873953 569421063 /nfs/dbraw/zinc/42/10/63/569421063.db2.gz VQHKVZHXSXFGNA-SJKOYZFVSA-N 0 0 400.422 3.319 50 0 HGAARN Cc1nn(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)cc12 ZINC000078877510 569421197 /nfs/dbraw/zinc/42/11/97/569421197.db2.gz JDPVNWIJPHNXOA-PBHICJAKSA-N 0 0 401.511 3.090 50 0 HGAARN CCC[C@H](C(=O)N[C@@H]1CCc2c1cccc2O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078971973 569422567 /nfs/dbraw/zinc/42/25/67/569422567.db2.gz INCBAPQXAZRLIM-RTBURBONSA-N 0 0 417.550 3.217 50 0 HGAARN CCC[C@H](C(=O)N[C@H]1CCc2c1cccc2O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078971988 569422578 /nfs/dbraw/zinc/42/25/78/569422578.db2.gz INCBAPQXAZRLIM-RBUKOAKNSA-N 0 0 417.550 3.217 50 0 HGAARN Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc([S@](C)=O)c(F)c3)cn2)n1 ZINC000078974744 569422604 /nfs/dbraw/zinc/42/26/04/569422604.db2.gz GHLBCZBYVUPQJR-MUUNZHRXSA-N 0 0 401.467 3.082 50 0 HGAARN O=C(NC1(C(F)(F)F)CCC2(CC1)OCCO2)c1ccn(-c2cccc(F)c2)n1 ZINC000079015534 569423873 /nfs/dbraw/zinc/42/38/73/569423873.db2.gz PUUXZZMOJIZESL-UHFFFAOYSA-N 0 0 413.371 3.359 50 0 HGAARN C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079025252 569424715 /nfs/dbraw/zinc/42/47/15/569424715.db2.gz ZRNKRUIDIJTTNC-IEBWSBKVSA-N 0 0 417.509 3.356 50 0 HGAARN C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000079025259 569424746 /nfs/dbraw/zinc/42/47/46/569424746.db2.gz ZRNKRUIDIJTTNC-MJGOQNOKSA-N 0 0 417.509 3.356 50 0 HGAARN COC(=O)COc1c(C)cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1C ZINC000079053275 569425733 /nfs/dbraw/zinc/42/57/33/569425733.db2.gz FATWWQZHFBFFND-UHFFFAOYSA-N 0 0 413.470 3.071 50 0 HGAARN O=C(CCn1ncc(=O)c2ccccc21)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000079054241 569425839 /nfs/dbraw/zinc/42/58/39/569425839.db2.gz ZCXIESNHCQZBPI-JOCHJYFZSA-N 0 0 417.465 3.142 50 0 HGAARN COCC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000079072645 569426856 /nfs/dbraw/zinc/42/68/56/569426856.db2.gz WREVCEGIBWZDKN-GFCCVEGCSA-N 0 0 414.877 3.090 50 0 HGAARN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCCc1nnc2ccccn21 ZINC000079098525 569427327 /nfs/dbraw/zinc/42/73/27/569427327.db2.gz ZAVDMSDWALSNEH-IAGOWNOFSA-N 0 0 415.538 3.252 50 0 HGAARN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCOc2cccc(F)c21 ZINC000079103193 569427598 /nfs/dbraw/zinc/42/75/98/569427598.db2.gz QDJIIFPKAXDYBN-GFCCVEGCSA-N 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ZINC000079491396 569432471 /nfs/dbraw/zinc/43/24/71/569432471.db2.gz SQHJPCUOZRXHPP-PKTZIBPZSA-N 0 0 415.493 3.360 50 0 HGAARN Cc1cc(C)nc(N2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)n1 ZINC000079495578 569432757 /nfs/dbraw/zinc/43/27/57/569432757.db2.gz IMSFQFHWKAGYMW-RMKNXTFCSA-N 0 0 419.573 3.167 50 0 HGAARN O=S(=O)(c1ccccc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1S(=O)(=O)c1ccccc1)C21CC1 ZINC000257356252 571045879 /nfs/dbraw/zinc/04/58/79/571045879.db2.gz HARXOJBFWTUMBG-IYWMVGAKSA-N 0 0 400.521 3.267 50 0 HGAARN CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3OC)no2)c1=O ZINC000038653113 571052497 /nfs/dbraw/zinc/05/24/97/571052497.db2.gz SIFYQBKQSLLPMT-UHFFFAOYSA-N 0 0 420.469 3.460 50 0 HGAARN Cc1ccc(Sc2nccn3c2nn(CC(=O)N(C)c2ccccc2)c3=O)c(C)c1 ZINC000067255625 571055753 /nfs/dbraw/zinc/05/57/53/571055753.db2.gz SFPGBAFFUBPUQF-UHFFFAOYSA-N 0 0 419.510 3.322 50 0 HGAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccccc4F)nc23)c(C)c1 ZINC000067255622 571055767 /nfs/dbraw/zinc/05/57/67/571055767.db2.gz 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/nfs/dbraw/zinc/17/09/94/523170994.db2.gz IBLGVTODGMXQPC-FZKQIMNGSA-N 0 0 407.492 3.350 50 0 HGAARN COCc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000032950088 523216659 /nfs/dbraw/zinc/21/66/59/523216659.db2.gz IJJKYHIOXNZHSC-UHFFFAOYSA-N 0 0 423.473 3.218 50 0 HGAARN COc1ccc(-c2nnc3sc(NC(=O)COc4ccc(C)cc4C)nn32)cc1 ZINC000041076467 523270346 /nfs/dbraw/zinc/27/03/46/523270346.db2.gz SUGUVPTVGZTWIL-UHFFFAOYSA-N 0 0 409.471 3.496 50 0 HGAARN COc1ccc(-c2nnc3sc(NC(=O)COc4c(C)cccc4C)nn32)cc1 ZINC000041076469 523270548 /nfs/dbraw/zinc/27/05/48/523270548.db2.gz PCRLQUHMMWDNPB-UHFFFAOYSA-N 0 0 409.471 3.496 50 0 HGAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)OCc3cc(C)no3)c2=O)cc1 ZINC000032387070 523324657 /nfs/dbraw/zinc/32/46/57/523324657.db2.gz XNFFJYDKXXNPSG-UHFFFAOYSA-N 0 0 419.437 3.367 50 0 HGAARN COc1ccc(-n2ccnc2SCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1 ZINC000032903838 523338718 /nfs/dbraw/zinc/33/87/18/523338718.db2.gz BTBUZYPONCWPAA-UHFFFAOYSA-N 0 0 415.544 3.056 50 0 HGAARN CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040266405 523737311 /nfs/dbraw/zinc/73/73/11/523737311.db2.gz PSTCLBHGGSYRCI-YADHBBJMSA-N 0 0 415.449 3.037 50 0 HGAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000040268351 523737501 /nfs/dbraw/zinc/73/75/01/523737501.db2.gz FEVZCDGLFWVTNJ-LEWJYISDSA-N 0 0 401.422 3.360 50 0 HGAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040287870 523737686 /nfs/dbraw/zinc/73/76/86/523737686.db2.gz OQXYGVYABBJMAR-SFTDATJTSA-N 0 0 401.422 3.360 50 0 HGAARN CC[C@H](C(=O)N1CC(c2nc(-c3cccc(C(=O)NC)c3)no2)C1)c1ccccc1 ZINC000077191171 523757019 /nfs/dbraw/zinc/75/70/19/523757019.db2.gz KRGRZCNYSMQMLQ-IBGZPJMESA-N 0 0 404.470 3.216 50 0 HGAARN CCc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000043739388 523895219 /nfs/dbraw/zinc/89/52/19/523895219.db2.gz FAIKIFOEKQAUNW-UHFFFAOYSA-N 0 0 416.543 3.447 50 0 HGAARN CCc1ccc(CNC(=O)CCn2cnc3onc(-c4cccc(F)c4)c3c2=O)cc1 ZINC000032933631 523932975 /nfs/dbraw/zinc/93/29/75/523932975.db2.gz OZAJBGCDSWGKEU-UHFFFAOYSA-N 0 0 420.444 3.460 50 0 HGAARN COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000032675736 523964777 /nfs/dbraw/zinc/96/47/77/523964777.db2.gz OSFBFZMWIATCFN-OAHLLOKOSA-N 0 0 406.404 3.426 50 0 HGAARN COc1ccc(CN(C)Cc2nc(CC(=O)Nc3ccccc3OC)no2)cc1F ZINC000032539000 524008934 /nfs/dbraw/zinc/00/89/34/524008934.db2.gz DSGVUTOINPMTHA-UHFFFAOYSA-N 0 0 414.437 3.039 50 0 HGAARN CCc1ccc([C@@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C(C)C)cc1 ZINC000032908358 524033076 /nfs/dbraw/zinc/03/30/76/524033076.db2.gz DYMQTZFFMYHIRP-IBGZPJMESA-N 0 0 406.486 3.109 50 0 HGAARN COc1ccc(COC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000032907321 524117185 /nfs/dbraw/zinc/11/71/85/524117185.db2.gz QVZHMZQOIQXHDQ-ZBFHGGJFSA-N 0 0 414.527 3.169 50 0 HGAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCN2C(=O)CCC2=O)c2ccccc2)c1 ZINC000032860324 524155729 /nfs/dbraw/zinc/15/57/29/524155729.db2.gz LVXDKHXTSJNIIZ-JOCHJYFZSA-N 0 0 408.454 3.066 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CN1CC(c2nc(Cc3ccccc3)no2)C1 ZINC000077190710 524225581 /nfs/dbraw/zinc/22/55/81/524225581.db2.gz MGVFNCNCULZVDL-UHFFFAOYSA-N 0 0 412.877 3.360 50 0 HGAARN Cc1ccc(CCNC(=O)CCn2cnc3onc(-c4cccc(F)c4)c3c2=O)cc1 ZINC000032933618 524326500 /nfs/dbraw/zinc/32/65/00/524326500.db2.gz LCJKMMAKVPGMKL-UHFFFAOYSA-N 0 0 420.444 3.248 50 0 HGAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)NCCCN4CCCC4=O)c23)C1 ZINC000032911188 524437930 /nfs/dbraw/zinc/43/79/30/524437930.db2.gz JHXSYPKHDRMALH-ZDUSSCGKSA-N 0 0 418.588 3.037 50 0 HGAARN COc1ccccc1CN1C[C@@H](C(=O)Nc2nnc(Cc3ccccc3)s2)CC1=O ZINC000031812542 524456218 /nfs/dbraw/zinc/45/62/18/524456218.db2.gz PWWFIEBOBPDTBQ-KRWDZBQOSA-N 0 0 422.510 3.125 50 0 HGAARN COc1ccccc1CNC(=O)[C@@H](C)Oc1cc(C(F)(F)F)c2c(C)nn(C)c2n1 ZINC000045992603 524470889 /nfs/dbraw/zinc/47/08/89/524470889.db2.gz MUJDIWPITQKQSO-GFCCVEGCSA-N 0 0 422.407 3.388 50 0 HGAARN C[C@@H](CCc1ccccc1)NC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 ZINC000032095879 524535358 /nfs/dbraw/zinc/53/53/58/524535358.db2.gz JSPIIDNEEWMDOO-HNNXBMFYSA-N 0 0 420.469 3.284 50 0 HGAARN COc1ccccc1N1C(=O)C[C@H](N(C)Cc2ccc(Br)cc2)C1=O ZINC000032771847 524535426 /nfs/dbraw/zinc/53/54/26/524535426.db2.gz KQNXEKYREFQCNM-INIZCTEOSA-N 0 0 403.276 3.222 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccccc4OC)cnn32)c(OC)c1 ZINC000032096777 524590410 /nfs/dbraw/zinc/59/04/10/524590410.db2.gz RQSFQWDGEFLJKK-KRWDZBQOSA-N 0 0 422.441 3.098 50 0 HGAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)cnn32)cc1OC ZINC000032072381 524610771 /nfs/dbraw/zinc/61/07/71/524610771.db2.gz XPBVGWMJKZXYPJ-MRXNPFEDSA-N 0 0 410.405 3.228 50 0 HGAARN C[C@H]1CN(Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C[C@H](C)O1 ZINC000032824521 524615131 /nfs/dbraw/zinc/61/51/31/524615131.db2.gz PAZYSRJQVVYRPR-OALUTQOASA-N 0 0 411.521 3.397 50 0 HGAARN CC(=O)N1CCOc2cc(S(=O)(=O)NC3CCCCCCC3)c(Cl)cc21 ZINC000006893133 534802408 /nfs/dbraw/zinc/80/24/08/534802408.db2.gz UJEQMLXDJGBDJV-UHFFFAOYSA-N 0 0 400.928 3.477 50 0 HGAARN Cc1cccc(OCCCNC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)c1 ZINC000032837007 524733694 /nfs/dbraw/zinc/73/36/94/524733694.db2.gz CMTIKZSBYYELIV-GOSISDBHSA-N 0 0 419.568 3.473 50 0 HGAARN Cc1ccc(Cn2nccc2NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)o1 ZINC000032836085 524777272 /nfs/dbraw/zinc/77/72/72/524777272.db2.gz OMMFPQPQPJGNQM-UHFFFAOYSA-N 0 0 403.442 3.457 50 0 HGAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)NC4CCCCC4)ccc3c2=O)c1 ZINC000032091865 524797099 /nfs/dbraw/zinc/79/70/99/524797099.db2.gz ZCCFORUGOUKPRG-UHFFFAOYSA-N 0 0 407.470 3.465 50 0 HGAARN COc1ccc(OC)c(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)cc2)c1 ZINC000020582142 524856509 /nfs/dbraw/zinc/85/65/09/524856509.db2.gz QUTPTPZZZJTJJJ-UHFFFAOYSA-N 0 0 418.453 3.152 50 0 HGAARN COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c1 ZINC000032869196 524882125 /nfs/dbraw/zinc/88/21/25/524882125.db2.gz QVWNZOKXAOUUHW-GFCCVEGCSA-N 0 0 418.412 3.292 50 0 HGAARN Cc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c(Cl)c1 ZINC000045970229 525105602 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50 0 HGAARN COc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCOCC2)cc1 ZINC000019897827 558304166 /nfs/dbraw/zinc/30/41/66/558304166.db2.gz GPVWUNUVORSIHW-IBGZPJMESA-N 0 0 419.319 3.261 50 0 biogenic HGAARN Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2cc(C(C)C)n[nH]2)C3)n1 ZINC000011970480 558304710 /nfs/dbraw/zinc/30/47/10/558304710.db2.gz QLZNEBZBUHMGCI-MRXNPFEDSA-N 0 0 409.465 3.480 50 0 HGAARN COC(=O)c1cc(CNC(=O)c2cccc(OC)c2)cc(NC(=O)c2ccco2)c1 ZINC000011972735 558305070 /nfs/dbraw/zinc/30/50/70/558305070.db2.gz KDBMVELOSCIDGG-UHFFFAOYSA-N 0 0 408.410 3.257 50 0 HGAARN COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCOCC2)cc1 ZINC000019901935 558305354 /nfs/dbraw/zinc/30/53/54/558305354.db2.gz FGDDGNHPAWGRLV-OAQYLSRUSA-N 0 0 418.921 3.226 50 0 HGAARN O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)c1cccc(N2CCCC2=O)c1 ZINC000011977852 558305910 /nfs/dbraw/zinc/30/59/10/558305910.db2.gz NJKVKQHFIYDZSX-LJQANCHMSA-N 0 0 414.465 3.004 50 0 HGAARN O=S(=O)(c1cccc(F)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019924942 558307615 /nfs/dbraw/zinc/30/76/15/558307615.db2.gz IONUBZBDAZMIFC-UHFFFAOYSA-N 0 0 403.401 3.141 50 0 HGAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)C3CCOCC3)cc2)n1 ZINC000011998900 558307704 /nfs/dbraw/zinc/30/77/04/558307704.db2.gz KZGWLQVXPYYEMZ-OAQYLSRUSA-N 0 0 410.518 3.235 50 0 HGAARN COCC(=O)N1CCC(Oc2ccccc2C(=O)NCCC2=CCCCC2)CC1 ZINC000011999718 558307776 /nfs/dbraw/zinc/30/77/76/558307776.db2.gz OBBCXPWWSWIKKA-UHFFFAOYSA-N 0 0 400.519 3.323 50 0 HGAARN COCc1c(C(=O)N2CCCC[C@@H]2C)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000012030951 558311219 /nfs/dbraw/zinc/31/12/19/558311219.db2.gz QJSSHMKIVKOKPA-INIZCTEOSA-N 0 0 421.501 3.499 50 0 HGAARN CN(C[C@H](O)c1ccccc1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012051576 558314181 /nfs/dbraw/zinc/31/41/81/558314181.db2.gz GGUFCWHQHHFWEC-QHCPKHFHSA-N 0 0 422.525 3.272 50 0 HGAARN CC(C)NC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012062193 558317302 /nfs/dbraw/zinc/31/73/02/558317302.db2.gz ZXIDCDIEFPOSEF-KRWDZBQOSA-N 0 0 408.477 3.216 50 0 HGAARN COc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c(OC)c1OC ZINC000012074058 558318960 /nfs/dbraw/zinc/31/89/60/558318960.db2.gz XEBUQDKFTYTZPA-MRXNPFEDSA-N 0 0 402.466 3.246 50 0 HGAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020010751 558318937 /nfs/dbraw/zinc/31/89/37/558318937.db2.gz GJJCJDOUTRSIIN-UHFFFAOYSA-N 0 0 400.832 3.208 50 0 HGAARN O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NCc1cc(-c2ccccc2)n[nH]1 ZINC000012099354 558325559 /nfs/dbraw/zinc/32/55/59/558325559.db2.gz BUOGAVQNCABPIW-QFIPXVFZSA-N 0 0 408.527 3.426 50 0 HGAARN COc1cc2c(c(OC)c1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1C(=O)OC=C1N2 ZINC000020086301 558331069 /nfs/dbraw/zinc/33/10/69/558331069.db2.gz DAPZDGNZIMLFNA-GOSISDBHSA-N 0 0 413.426 3.098 50 0 HGAARN O=c1[nH]c2cc(Br)c(NS(=O)(=O)c3ccc(Cl)s3)cc2[nH]1 ZINC000020110807 558335660 /nfs/dbraw/zinc/33/56/60/558335660.db2.gz LGXVBDLGDSRIML-UHFFFAOYSA-N 0 0 408.686 3.134 50 0 HGAARN Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCN(C)CC2)cc1 ZINC000020130192 558337035 /nfs/dbraw/zinc/33/70/35/558337035.db2.gz HVRDVCOGGAADRA-JWGURIENSA-N 0 0 416.525 3.032 50 0 HGAARN O=C(c1cccc(Br)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020123857 558337044 /nfs/dbraw/zinc/33/70/44/558337044.db2.gz VBZUJGAOPRQQCQ-UHFFFAOYSA-N 0 0 403.276 3.136 50 0 HGAARN CC(C)CN(C)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000012150800 558339183 /nfs/dbraw/zinc/33/91/83/558339183.db2.gz LRADTUSRLXBPLT-FQEVSTJZSA-N 0 0 410.436 3.369 50 0 HGAARN COc1cc(OC)c(C2=CCN(S(=O)(=O)Cc3ccccc3)CC2)c(OC)c1 ZINC000010673006 558342641 /nfs/dbraw/zinc/34/26/41/558342641.db2.gz CNURYDZGNMRWRD-UHFFFAOYSA-N 0 0 403.500 3.332 50 0 HGAARN CCc1ccccc1NC(=O)CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000020213536 558348061 /nfs/dbraw/zinc/34/80/61/558348061.db2.gz IQGCFXDSNCLLLQ-UHFFFAOYSA-N 0 0 419.525 3.420 50 0 HGAARN COC(=O)c1c2c(sc1NC(=O)[C@H](c1ccccc1)N1CCOCC1)CCC2 ZINC000020226826 558349307 /nfs/dbraw/zinc/34/93/07/558349307.db2.gz OBXQHWVANUDJHN-SFHVURJKSA-N 0 0 400.500 3.035 50 0 HGAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC000012198316 558350517 /nfs/dbraw/zinc/35/05/17/558350517.db2.gz QPIWAFWXYACFIT-QGZVFWFLSA-N 0 0 414.458 3.404 50 0 HGAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000012199846 558351113 /nfs/dbraw/zinc/35/11/13/558351113.db2.gz PNXXMHFIBCKLGX-JOCHJYFZSA-N 0 0 405.542 3.005 50 0 HGAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCn2nccc2C)C1 ZINC000012201303 558351442 /nfs/dbraw/zinc/35/14/42/558351442.db2.gz HLFAIHLOSFZMIN-JOCHJYFZSA-N 0 0 419.472 3.274 50 0 HGAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012205805 558352772 /nfs/dbraw/zinc/35/27/72/558352772.db2.gz BWFOMENXEWPYRN-QGZVFWFLSA-N 0 0 410.518 3.095 50 0 HGAARN CN(Cc1ccc(F)cc1)C(=O)Cn1cc(NC(=O)CCC(=O)c2ccccc2)cn1 ZINC000012209239 558353459 /nfs/dbraw/zinc/35/34/59/558353459.db2.gz LMFDUMWAVQQMQL-UHFFFAOYSA-N 0 0 422.460 3.282 50 0 HGAARN CN(CCO)c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020358052 558357822 /nfs/dbraw/zinc/35/78/22/558357822.db2.gz SWJFRNFJCCCXFM-UHFFFAOYSA-N 0 0 413.547 3.120 50 0 HGAARN CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCCN4CCOCC4)c23)CO1 ZINC000020358855 558358259 /nfs/dbraw/zinc/35/82/59/558358259.db2.gz WEXFNYHTNZFCMP-IBGZPJMESA-N 0 0 408.593 3.399 50 0 HGAARN CC(=O)N1CCCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC1 ZINC000020388460 558358982 /nfs/dbraw/zinc/35/89/82/558358982.db2.gz GTYAJBCWHXVEJU-UHFFFAOYSA-N 0 0 405.502 3.366 50 0 HGAARN Cc1ccc(C[C@]2(CCC(=O)N3CCCC[C@@H]3c3nccn3C)CCC(=O)N2)cc1 ZINC000012242494 558360609 /nfs/dbraw/zinc/36/06/09/558360609.db2.gz DWIZOBKIHPZGFP-HYBUGGRVSA-N 0 0 408.546 3.454 50 0 HGAARN Cc1ccc(C[C@]2(CCC(=O)N3CCCC[C@H]3c3nccn3C)CCC(=O)N2)cc1 ZINC000012242496 558360637 /nfs/dbraw/zinc/36/06/37/558360637.db2.gz DWIZOBKIHPZGFP-GBXCKJPGSA-N 0 0 408.546 3.454 50 0 HGAARN CC[C@H](C)n1cc(C(=O)NCc2cccc(C)n2)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000012242652 558360903 /nfs/dbraw/zinc/36/09/03/558360903.db2.gz ZAANYZDIZNXZJQ-SFHVURJKSA-N 0 0 424.545 3.469 50 0 HGAARN COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CCN(C)C3 ZINC000020440112 558363368 /nfs/dbraw/zinc/36/33/68/558363368.db2.gz YMWFPZQBSJLIEZ-UHFFFAOYSA-N 0 0 415.544 3.001 50 0 HGAARN CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)CC1 ZINC000012299530 558369553 /nfs/dbraw/zinc/36/95/53/558369553.db2.gz GZYUZPRNWSSJBS-HXUWFJFHSA-N 0 0 423.561 3.396 50 0 HGAARN O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012307998 558376443 /nfs/dbraw/zinc/37/64/43/558376443.db2.gz BOFJRKDYOFXGCB-SFHVURJKSA-N 0 0 410.470 3.222 50 0 HGAARN O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cc(COc2ccccc2)on1 ZINC000012316080 558379355 /nfs/dbraw/zinc/37/93/55/558379355.db2.gz ZXBFCPNCEURHKX-FQEVSTJZSA-N 0 0 403.442 3.407 50 0 HGAARN CCc1c(C)n(CC(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3n2c1=O ZINC000012324033 558382908 /nfs/dbraw/zinc/38/29/08/558382908.db2.gz UDPQIRSVNOFBOW-UHFFFAOYSA-N 0 0 405.454 3.420 50 0 HGAARN O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1ccc(F)cc1F ZINC000020533821 558385305 /nfs/dbraw/zinc/38/53/05/558385305.db2.gz BXYRSCDGGDRMCI-UHFFFAOYSA-N 0 0 411.408 3.154 50 0 HGAARN C[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Cn1ccc(C(F)(F)F)n1 ZINC000020607535 558388455 /nfs/dbraw/zinc/38/84/55/558388455.db2.gz ZAGUDUXYTYRPOX-JTQLQIEISA-N 0 0 423.361 3.058 50 0 HGAARN Cc1c(-c2csc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)n2)cnn1C ZINC000020607502 558388534 /nfs/dbraw/zinc/38/85/34/558388534.db2.gz HUCZRMGWIYYJNC-UHFFFAOYSA-N 0 0 410.425 3.195 50 0 HGAARN O=C(NC(NCc1ccc2c(c1)OCO2)(C(F)(F)F)C(F)(F)F)c1cccnc1 ZINC000012374789 558391521 /nfs/dbraw/zinc/39/15/21/558391521.db2.gz WVPBFFFRGHJTSW-UHFFFAOYSA-N 0 0 421.297 3.151 50 0 HGAARN O=C(NCC1(c2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012376040 558391755 /nfs/dbraw/zinc/39/17/55/558391755.db2.gz QPBLCIGTYXTBFI-IBGZPJMESA-N 0 0 418.946 3.341 50 0 HGAARN C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)NC1=NCCS1 ZINC000012380562 558393099 /nfs/dbraw/zinc/39/30/99/558393099.db2.gz YKEBISFSCKNYHM-CYBMUJFWSA-N 0 0 410.528 3.029 50 0 HGAARN CC(=O)c1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C(C)=O)c3)n(C)n2)c1 ZINC000020616790 558393288 /nfs/dbraw/zinc/39/32/88/558393288.db2.gz PKBFXVNWDMMAPB-UHFFFAOYSA-N 0 0 404.426 3.330 50 0 HGAARN COc1ccccc1C1=NO[C@@H](C(=O)N2CC[C@H](C(F)(F)F)n3nc(C)cc32)C1 ZINC000020617459 558393853 /nfs/dbraw/zinc/39/38/53/558393853.db2.gz FQPLKJZWCVUJMF-HZPDHXFCSA-N 0 0 408.380 3.233 50 0 HGAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000012404329 558397790 /nfs/dbraw/zinc/39/77/90/558397790.db2.gz JLXGMXYEGIVUGZ-UHFFFAOYSA-N 0 0 409.269 3.483 50 0 HGAARN COc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C(C)C)C2=O)c1 ZINC000020650168 558397854 /nfs/dbraw/zinc/39/78/54/558397854.db2.gz FEZYOMXOOWANHS-FQEVSTJZSA-N 0 0 419.403 3.381 50 0 HGAARN COC(=O)[C@@H](C)SC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 ZINC000012408046 558398910 /nfs/dbraw/zinc/39/89/10/558398910.db2.gz AETHAPWMUZRZQS-LLVKDONJSA-N 0 0 403.895 3.274 50 0 HGAARN O=C(CCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)Nc1nccs1 ZINC000012408194 558399196 /nfs/dbraw/zinc/39/91/96/558399196.db2.gz HHILDTUSNOWYAF-UHFFFAOYSA-N 0 0 403.895 3.374 50 0 HGAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O)c1cccs1 ZINC000012408992 558399594 /nfs/dbraw/zinc/39/95/94/558399594.db2.gz VHHHGYPISUVWLU-OAHLLOKOSA-N 0 0 417.796 3.142 50 0 HGAARN CCCN1C(=O)[C@@](NC(=O)Cc2ccccc2)(C(F)(F)F)N=C1c1ccccc1 ZINC000020714259 558400622 /nfs/dbraw/zinc/40/06/22/558400622.db2.gz YAHIQIHMUDXOKX-FQEVSTJZSA-N 0 0 403.404 3.303 50 0 HGAARN COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)c(OC)c1 ZINC000012416026 558402316 /nfs/dbraw/zinc/40/23/16/558402316.db2.gz FAEAVVUFCBXKQE-GFCCVEGCSA-N 0 0 409.398 3.003 50 0 HGAARN COc1ccc(CNC(=O)c2nc(COc3ccc4c(C)cc(=O)oc4c3)no2)cc1 ZINC000020721454 558402961 /nfs/dbraw/zinc/40/29/61/558402961.db2.gz IRSMYSCXCXUPJT-UHFFFAOYSA-N 0 0 421.409 3.002 50 0 biogenic HGAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)COc2ccccc2)C1 ZINC000012430473 558405126 /nfs/dbraw/zinc/40/51/26/558405126.db2.gz MTEYWKQVAVJVMG-DEOSSOPVSA-N 0 0 411.498 3.489 50 0 HGAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1 ZINC000020731199 558406663 /nfs/dbraw/zinc/40/66/63/558406663.db2.gz VGYTZWTZRHEZAQ-WMZOPIPTSA-N 0 0 404.898 3.308 50 0 HGAARN Cn1c(C(=O)NCCNC(=O)c2ccc(Br)cc2)cc2ccccc21 ZINC000020735709 558407703 /nfs/dbraw/zinc/40/77/03/558407703.db2.gz LVOUGBDCLBHBPE-UHFFFAOYSA-N 0 0 400.276 3.101 50 0 HGAARN COc1ccc(CCC(=O)N2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1 ZINC000020736525 558407898 /nfs/dbraw/zinc/40/78/98/558407898.db2.gz WIOUKWVAUZAKCM-UHFFFAOYSA-N 0 0 405.498 3.104 50 0 HGAARN O=C(NCCCn1ccc2ccccc21)[C@H]1CCC(=O)N(CCc2ccccn2)C1 ZINC000012434994 558408800 /nfs/dbraw/zinc/40/88/00/558408800.db2.gz UJJTVJHHACSNFL-FQEVSTJZSA-N 0 0 404.514 3.024 50 0 HGAARN CC(C)Cn1c(=O)c2c3c(sc2nc1N1CCN(C(=O)C(C)C)CC1)CCCC3 ZINC000020744496 558409282 /nfs/dbraw/zinc/40/92/82/558409282.db2.gz SLWGYWFJYCMLIZ-UHFFFAOYSA-N 0 0 416.591 3.297 50 0 HGAARN COc1ccc(C2(C(=O)N3CCN(Cc4ccccc4)CC3)CCOCC2)cc1OC ZINC000020745452 558410234 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COc1ccc(Cn2cc(C(=O)N[C@H](CCn3ccnc3)c3ccccc3)nn2)cc1 ZINC000012446395 558414402 /nfs/dbraw/zinc/41/44/02/558414402.db2.gz JJUFBRZYUPHFSX-OAQYLSRUSA-N 0 0 416.485 3.093 50 0 HGAARN O=C(NCc1cnc(-c2ccccc2)s1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 ZINC000012448009 558415212 /nfs/dbraw/zinc/41/52/12/558415212.db2.gz TWBXWBPOOBJWJA-QGZVFWFLSA-N 0 0 406.511 3.260 50 0 HGAARN Cc1cc(C)n2nc(C(=O)O[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)nc2n1 ZINC000020818542 558416536 /nfs/dbraw/zinc/41/65/36/558416536.db2.gz KPAOWVHILHCODB-ZDUSSCGKSA-N 0 0 422.470 3.049 50 0 HGAARN O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012455492 558417104 /nfs/dbraw/zinc/41/71/04/558417104.db2.gz YLBCUKBELUQZQU-MRXNPFEDSA-N 0 0 409.873 3.171 50 0 HGAARN COc1ccc(OCCN2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 ZINC000020907827 558421464 /nfs/dbraw/zinc/42/14/64/558421464.db2.gz RMSULZZSGJIKRE-UHFFFAOYSA-N 0 0 405.498 3.323 50 0 HGAARN CC(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000012473636 558422305 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Cc1c([C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cnn1-c1ccccc1C ZINC000012581789 558432567 /nfs/dbraw/zinc/43/25/67/558432567.db2.gz JOSDKQDGTHLSAE-QGZVFWFLSA-N 0 0 415.497 3.467 50 0 HGAARN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021216500 558433837 /nfs/dbraw/zinc/43/38/37/558433837.db2.gz XAGITWPCPVKHPM-UHFFFAOYSA-N 0 0 424.888 3.417 50 0 HGAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3ccsc3)cc2)CC1 ZINC000012593562 558436596 /nfs/dbraw/zinc/43/65/96/558436596.db2.gz YAAHQQUWVVNHJS-UHFFFAOYSA-N 0 0 416.543 3.427 50 0 HGAARN COc1cccc(-n2cc(C(=O)OCC(=O)OC(C)(C)C)c3ccccc3c2=O)c1 ZINC000021359848 558437203 /nfs/dbraw/zinc/43/72/03/558437203.db2.gz HIUVRMLBXUGEQT-UHFFFAOYSA-N 0 0 409.438 3.498 50 0 HGAARN CCCCn1c(N)c(N(CC)Cc2cc3ccc(C)cc3nc2Cl)c(=O)[nH]c1=O ZINC000021387520 558437640 /nfs/dbraw/zinc/43/76/40/558437640.db2.gz AQLLXCSWRBWSGC-UHFFFAOYSA-N 0 0 415.925 3.455 50 0 HGAARN Cc1ncsc1CCN(C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012595575 558437725 /nfs/dbraw/zinc/43/77/25/558437725.db2.gz FLKNXDDOOKIRFN-QGZVFWFLSA-N 0 0 403.523 3.073 50 0 HGAARN COc1cc(OC)cc([C@@H](NC(=O)CCc2nc3ccccc3o2)c2nccn2C)c1 ZINC000012628832 558441169 /nfs/dbraw/zinc/44/11/69/558441169.db2.gz DKPXHHUSVUSNAN-JOCHJYFZSA-N 0 0 420.469 3.417 50 0 HGAARN C[C@@H]1Oc2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2NC1=O ZINC000021601157 558443071 /nfs/dbraw/zinc/44/30/71/558443071.db2.gz RWSXSKAQOWNWPH-LBPRGKRZSA-N 0 0 401.850 3.208 50 0 HGAARN COc1cccc(NC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)c1 ZINC000021640745 558444325 /nfs/dbraw/zinc/44/43/25/558444325.db2.gz YXIDDXVFRYGKIX-UHFFFAOYSA-N 0 0 417.469 3.008 50 0 HGAARN O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccccc1)NC(=O)c1ccco1 ZINC000012659497 558444711 /nfs/dbraw/zinc/44/47/11/558444711.db2.gz ZRSXNXFACPISOB-CYVLTUHYSA-N 0 0 400.438 3.286 50 0 HGAARN CCOc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)ccc1O ZINC000021782743 558448142 /nfs/dbraw/zinc/44/81/42/558448142.db2.gz HAKMRKVNXCDSOX-QFIPXVFZSA-N 0 0 423.469 3.123 50 0 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CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000022131701 558463984 /nfs/dbraw/zinc/46/39/84/558463984.db2.gz MVECIWWTIZVUMP-KRWDZBQOSA-N 0 0 408.545 3.179 50 0 HGAARN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCn2c3ccccc3n(C)c2=O)cc1 ZINC000022139772 558464462 /nfs/dbraw/zinc/46/44/62/558464462.db2.gz ZYTSLTZIISLYJG-IBGZPJMESA-N 0 0 423.513 3.238 50 0 HGAARN Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000012793033 558466863 /nfs/dbraw/zinc/46/68/63/558466863.db2.gz CIXYGCNQBDGTRE-OAHLLOKOSA-N 0 0 400.953 3.062 50 0 HGAARN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000012799309 558471027 /nfs/dbraw/zinc/47/10/27/558471027.db2.gz NNOHPMVCPTVCQX-UHFFFAOYSA-N 0 0 416.524 3.247 50 0 HGAARN CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccccc1 ZINC000012801209 558471803 /nfs/dbraw/zinc/47/18/03/558471803.db2.gz AUINGBSSYXURSL-IBGZPJMESA-N 0 0 402.516 3.148 50 0 HGAARN O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000012803552 558472715 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Cn1cc(C(=O)NCCc2nc3ccccc3[nH]2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000022369304 558483636 /nfs/dbraw/zinc/48/36/36/558483636.db2.gz ZSNNRJIFNVSLRU-UHFFFAOYSA-N 0 0 417.469 3.097 50 0 HGAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000012899937 558483739 /nfs/dbraw/zinc/48/37/39/558483739.db2.gz FRBDZZNJGKQQFG-UHFFFAOYSA-N 0 0 414.449 3.237 50 0 HGAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1ccc(O)cc1 ZINC000004387660 558488043 /nfs/dbraw/zinc/48/80/43/558488043.db2.gz NDKRALFULXJDCI-OAQYLSRUSA-N 0 0 419.485 3.145 50 0 HGAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000012971793 558488985 /nfs/dbraw/zinc/48/89/85/558488985.db2.gz JCVNVCLTIQHLEW-UHFFFAOYSA-N 0 0 419.529 3.214 50 0 HGAARN C[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(NC(=O)C2CC2)cc1 ZINC000012971629 558488993 /nfs/dbraw/zinc/48/89/93/558488993.db2.gz IFKHFALZWXJQHD-HNNXBMFYSA-N 0 0 409.486 3.409 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)(C)c3ccccc3)CC2)cc1 ZINC000012972523 558489373 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Cc1ccc(C)c(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c1 ZINC000049008753 568445343 /nfs/dbraw/zinc/44/53/43/568445343.db2.gz RYTKGLLEAMDORQ-UHFFFAOYSA-N 0 0 405.483 3.298 50 0 HGAARN CCOc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)cc1 ZINC000049008781 568445344 /nfs/dbraw/zinc/44/53/44/568445344.db2.gz MTHQKAGDRFVVDR-UHFFFAOYSA-N 0 0 421.482 3.080 50 0 HGAARN Cc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4s3)o2)s1 ZINC000049029057 568445689 /nfs/dbraw/zinc/44/56/89/568445689.db2.gz YZJWPQNFCPDTLM-UHFFFAOYSA-N 0 0 418.529 3.355 50 0 HGAARN Cc1nc(C)c(-c2nnc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)o2)s1 ZINC000049029355 568445709 /nfs/dbraw/zinc/44/57/09/568445709.db2.gz KDKIMWAWZPSLDX-UHFFFAOYSA-N 0 0 406.489 3.244 50 0 HGAARN CCCn1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c(=O)c2ccc(C)nc21 ZINC000049002271 568446010 /nfs/dbraw/zinc/44/60/10/568446010.db2.gz MEKMOCFYUPTSEG-UHFFFAOYSA-N 0 0 411.458 3.393 50 0 HGAARN Cc1cccc(CN2N=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)c1 ZINC000049402540 568448031 /nfs/dbraw/zinc/44/80/31/568448031.db2.gz BXYBBSZEDRYYQH-UHFFFAOYSA-N 0 0 411.527 3.361 50 0 HGAARN Cc1ccc2c(c1)N(Cc1cc(F)cc(F)c1)N=C(C(=O)N1CCCC1)S2(=O)=O ZINC000049402667 568448095 /nfs/dbraw/zinc/44/80/95/568448095.db2.gz WJARBZYZOCRBGX-UHFFFAOYSA-N 0 0 419.453 3.003 50 0 HGAARN CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)nn2)cc1 ZINC000049406450 568448928 /nfs/dbraw/zinc/44/89/28/568448928.db2.gz NDXZXZRXVUSPHN-UHFFFAOYSA-N 0 0 421.476 3.003 50 0 HGAARN O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)N1CCN(c2ccccc2F)CC1 ZINC000049409435 568449681 /nfs/dbraw/zinc/44/96/81/568449681.db2.gz ABTBYFNAYRCIJC-UHFFFAOYSA-N 0 0 417.444 3.315 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3cc(F)ccc3C)c(=O)n2c(Nc2ccc(F)cc2)n1 ZINC000049410651 568449944 /nfs/dbraw/zinc/44/99/44/568449944.db2.gz QJKHZZVRRLWIIA-UHFFFAOYSA-N 0 0 424.411 3.168 50 0 HGAARN CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[nH]2)C1 ZINC000049421323 568450613 /nfs/dbraw/zinc/45/06/13/568450613.db2.gz NBZATXAXNCJYSH-AWEZNQCLSA-N 0 0 412.515 3.013 50 0 HGAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@@H]2c1ccccc1OC ZINC000049548362 568451715 /nfs/dbraw/zinc/45/17/15/568451715.db2.gz KVDMFEOJVURMGL-MRXNPFEDSA-N 0 0 424.478 3.292 50 0 HGAARN O=C(Nc1nnc(COc2ccccc2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000049550900 568451975 /nfs/dbraw/zinc/45/19/75/568451975.db2.gz CTFVJPCBMHQMIK-ZDUSSCGKSA-N 0 0 412.446 3.248 50 0 HGAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CN(C)CCOc2ccccc2F)C1=O ZINC000049574873 568452207 /nfs/dbraw/zinc/45/22/07/568452207.db2.gz ATPXCAVSPQWMSU-OAQYLSRUSA-N 0 0 403.429 3.090 50 0 HGAARN O=C(c1ccc(OCc2cscn2)cc1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000014900388 568454156 /nfs/dbraw/zinc/45/41/56/568454156.db2.gz QUKCFHYXWRFKGY-UHFFFAOYSA-N 0 0 414.531 3.086 50 0 HGAARN COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC ZINC000005195900 568455371 /nfs/dbraw/zinc/45/53/71/568455371.db2.gz DFWAJAOGXQREDE-INIZCTEOSA-N 0 0 417.893 3.004 50 0 HGAARN CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000000630428 568456319 /nfs/dbraw/zinc/45/63/19/568456319.db2.gz BCSGTXGNFIJDBE-UHFFFAOYSA-N 0 0 410.378 3.390 50 0 biogenic HGAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)n2ccsc2n1 ZINC000006638232 568456779 /nfs/dbraw/zinc/45/67/79/568456779.db2.gz CEOKNDYHGAUBCY-UHFFFAOYSA-N 0 0 410.421 3.024 50 0 HGAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000020721291 568457940 /nfs/dbraw/zinc/45/79/40/568457940.db2.gz SQOPRNAXDWZKHQ-DPZKZMLUSA-N 0 0 422.888 3.447 50 0 HGAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCc1ccccc1C ZINC000006750858 568458364 /nfs/dbraw/zinc/45/83/64/568458364.db2.gz QMMFVQACZRIABI-UHFFFAOYSA-N 0 0 412.511 3.498 50 0 HGAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000000652607 568459360 /nfs/dbraw/zinc/45/93/60/568459360.db2.gz UTCHKWBWORSULY-UHFFFAOYSA-N 0 0 418.515 3.391 50 0 HGAARN O=C(CCNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCc2ccccc2C1 ZINC000012296645 568462754 /nfs/dbraw/zinc/46/27/54/568462754.db2.gz OIYRIFUUIKYZQJ-UHFFFAOYSA-N 0 0 402.498 3.211 50 0 biogenic HGAARN CCCCc1nc(CN2CCN(Cc3ccccc3OCC)[C@@H](CCO)C2)c[nH]1 ZINC000216180629 568463541 /nfs/dbraw/zinc/46/35/41/568463541.db2.gz FVCXRNAFLUGWCE-NRFANRHFSA-N 0 0 400.567 3.220 50 0 HGAARN COc1cccc2cc(-c3ccc(OCC(=O)N4CCSCC4)cc3)c(=O)oc21 ZINC000012322378 568471269 /nfs/dbraw/zinc/47/12/69/568471269.db2.gz IQLRPJCSJOOACX-UHFFFAOYSA-N 0 0 411.479 3.423 50 0 HGAARN O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2c[nH]c3ccccc23)N1Cc1ccncc1 ZINC000012324634 568471719 /nfs/dbraw/zinc/47/17/19/568471719.db2.gz IPBXYRWZQMLCNI-FYYLOGMGSA-N 0 0 419.506 3.412 50 0 HGAARN Cc1ccc(S(=O)(=O)C2=C(NN)C(=O)[N+](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000342296120 568471908 /nfs/dbraw/zinc/47/19/08/568471908.db2.gz SJZKBHDPHLXTRI-NRFANRHFSA-N 0 0 419.506 3.197 50 0 HGAARN O=C(NC[C@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000780545 568474731 /nfs/dbraw/zinc/47/47/31/568474731.db2.gz WJORMUYJKBWZLY-OFNKIYASSA-N 0 0 410.539 3.412 50 0 HGAARN COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218267748 568477078 /nfs/dbraw/zinc/47/70/78/568477078.db2.gz WDTJSXQKSJZPOT-HNNXBMFYSA-N 0 0 421.877 3.385 50 0 HGAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000000791952 568480177 /nfs/dbraw/zinc/48/01/77/568480177.db2.gz PGSSRCHJTLAOMY-AWEZNQCLSA-N 0 0 408.907 3.388 50 0 HGAARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC ZINC000000800832 568483989 /nfs/dbraw/zinc/48/39/89/568483989.db2.gz SVBWCCAUULIXQZ-IBGZPJMESA-N 0 0 422.528 3.099 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OC/C=C/c2ccccc2)c1 ZINC000007990262 568487445 /nfs/dbraw/zinc/48/74/45/568487445.db2.gz XGWOPRYWTQVYOD-DHZHZOJOSA-N 0 0 414.527 3.407 50 0 HGAARN CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C\c3cccc(F)c3)C(=O)O2)c1 ZINC000024925669 568487759 /nfs/dbraw/zinc/48/77/59/568487759.db2.gz VTHXCGWNOAHFMY-PDGQHHTCSA-N 0 0 402.447 3.201 50 0 HGAARN COc1ccccc1N1CCN(Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000055543234 568489039 /nfs/dbraw/zinc/48/90/39/568489039.db2.gz HCKTWIFGDMSQSO-UHFFFAOYSA-N 0 0 407.308 3.494 50 0 HGAARN O=c1/c(=C/c2c(Cl)cccc2Cl)sc2nc(=O)c(-c3ccccc3)nn12 ZINC000005775397 568490967 /nfs/dbraw/zinc/49/09/67/568490967.db2.gz AZVLZSHOMNULRE-ZROIWOOFSA-N 0 0 402.262 3.033 50 0 HGAARN COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)NC1CC1 ZINC000008133100 568491258 /nfs/dbraw/zinc/49/12/58/568491258.db2.gz IXOYLVJSXHXUOZ-CYBMUJFWSA-N 0 0 414.483 3.373 50 0 HGAARN COc1ccc([C@H]2c3cn(C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1O ZINC000604405036 568492541 /nfs/dbraw/zinc/49/25/41/568492541.db2.gz UQIQPBYGDIYPCY-FQEVSTJZSA-N 0 0 403.438 3.093 50 0 biogenic HGAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(C(=O)N(C)C)CC1 ZINC000390831835 568496064 /nfs/dbraw/zinc/49/60/64/568496064.db2.gz VIQRNACRUPMBBX-UHFFFAOYSA-N 0 0 404.898 3.427 50 0 HGAARN COc1ccc(CNC(=O)[C@@H](C(=O)c2ccc(F)cc2)n2cc(C)ccc2=O)cc1 ZINC000000819545 568497204 /nfs/dbraw/zinc/49/72/04/568497204.db2.gz ZMKFAPFETQUEQF-OAQYLSRUSA-N 0 0 408.429 3.045 50 0 HGAARN C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022925521 568500581 /nfs/dbraw/zinc/50/05/81/568500581.db2.gz OGXJGNORINUHFE-HNNXBMFYSA-N 0 0 410.449 3.483 50 0 HGAARN CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc1C ZINC000008474765 568501238 /nfs/dbraw/zinc/50/12/38/568501238.db2.gz PSATYACSEBDYJI-UHFFFAOYSA-N 0 0 410.536 3.295 50 0 HGAARN N=C1SC(=Cc2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1nonc1-n1cccc1 ZINC000012360566 568509404 /nfs/dbraw/zinc/50/94/04/568509404.db2.gz OLFBGVICQGWBJG-GMNUZNGISA-N 0 0 421.417 3.445 50 0 HGAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1Br ZINC000024178659 568510988 /nfs/dbraw/zinc/51/09/88/568510988.db2.gz HQXKJOSXHXHTLB-UHFFFAOYSA-N 0 0 407.283 3.350 50 0 HGAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(C(=O)c2nsc3ccccc32)CC1 ZINC000033070640 568511102 /nfs/dbraw/zinc/51/11/02/568511102.db2.gz PXCXJEZKGNYKEA-UHFFFAOYSA-N 0 0 410.455 3.015 50 0 HGAARN CC(C)[C@@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccc2c(c1)OCCO2 ZINC000222054018 568513941 /nfs/dbraw/zinc/51/39/41/568513941.db2.gz YPVANIWJZPBGGF-AQKFKSFVSA-N 0 0 421.559 3.470 50 0 HGAARN CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@]1(NC(=O)CC(C)C)C(F)(F)F ZINC000020069952 568587064 /nfs/dbraw/zinc/58/70/64/568587064.db2.gz LEXNDOUWEHVDCI-IBGZPJMESA-N 0 0 418.456 3.462 50 0 HGAARN CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@@]1(NC(=O)CC(C)C)C(F)(F)F ZINC000020069950 568587074 /nfs/dbraw/zinc/58/70/74/568587074.db2.gz LEXNDOUWEHVDCI-LJQANCHMSA-N 0 0 418.456 3.462 50 0 HGAARN COc1cc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O ZINC000020111802 568588851 /nfs/dbraw/zinc/58/88/51/568588851.db2.gz UYUWUIMYTRYHCC-QGZVFWFLSA-N 0 0 413.470 3.259 50 0 biogenic HGAARN CCc1ncnc(O[C@H]2CCN(C(=O)CSc3c[nH]c4ccccc34)C2)c1F ZINC000390827258 568591411 /nfs/dbraw/zinc/59/14/11/568591411.db2.gz FWZULUMAXYKEME-ZDUSSCGKSA-N 0 0 400.479 3.431 50 0 HGAARN CCc1ncnc(O[C@@H]2CCN(C(=O)c3sc(-n4cccc4)nc3C)C2)c1F ZINC000390827844 568591621 /nfs/dbraw/zinc/59/16/21/568591621.db2.gz LBCNPBNFWGPUMH-CYBMUJFWSA-N 0 0 401.467 3.027 50 0 HGAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390829264 568591754 /nfs/dbraw/zinc/59/17/54/568591754.db2.gz XWRCEXNZGXXQOH-UHFFFAOYSA-N 0 0 415.497 3.055 50 0 HGAARN COc1c(F)c(F)cc(C(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)c1F ZINC000390831893 568592416 /nfs/dbraw/zinc/59/24/16/568592416.db2.gz VSZLHSCIKSUUQR-OAHLLOKOSA-N 0 0 413.417 3.115 50 0 HGAARN FC(F)(F)c1ccc(NC(=S)NC[C@H](c2cccnc2)N2CCOCC2)cc1 ZINC000020234911 568595372 /nfs/dbraw/zinc/59/53/72/568595372.db2.gz YAWFVSXUEPTFRZ-QGZVFWFLSA-N 0 0 410.465 3.460 50 0 HGAARN CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2cccc(OC)c2OC)CC1 ZINC000020288089 568597622 /nfs/dbraw/zinc/59/76/22/568597622.db2.gz JGRZWCOBOHKORQ-JXFKEZNVSA-N 0 0 417.575 3.262 50 0 HGAARN COc1ccc(Br)cc1S(=O)(=O)N(C[C@H](C)O)c1ccccc1 ZINC000095393879 568604427 /nfs/dbraw/zinc/60/44/27/568604427.db2.gz FKSFCUZFPMAXMW-LBPRGKRZSA-N 0 0 400.294 3.034 50 0 HGAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000020416112 568606148 /nfs/dbraw/zinc/60/61/48/568606148.db2.gz UQDBEKSPNJJLOK-RBUKOAKNSA-N 0 0 419.529 3.430 50 0 HGAARN NC(=O)CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C[C@@H]1CCCO1 ZINC000040039746 568608591 /nfs/dbraw/zinc/60/85/91/568608591.db2.gz LSMHFIPPXIIRHN-LBPRGKRZSA-N 0 0 415.346 3.474 50 0 HGAARN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)OC(=O)c1cnn2cccnc12 ZINC000095431870 568609185 /nfs/dbraw/zinc/60/91/85/568609185.db2.gz VERWTPYJSOAYQX-CRAIPNDOSA-N 0 0 410.474 3.411 50 0 HGAARN Cc1nc2c(cnn2C(C)(C)C)c(N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)n1 ZINC000095432589 568609331 /nfs/dbraw/zinc/60/93/31/568609331.db2.gz GJAZHSYHLNFRFN-LBPRGKRZSA-N 0 0 410.486 3.257 50 0 HGAARN CCOc1ccc2oc(=O)cc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)c2c1 ZINC000020463637 568609867 /nfs/dbraw/zinc/60/98/67/568609867.db2.gz JVPDGTAYDGFHPC-UHFFFAOYSA-N 0 0 410.445 3.289 50 0 HGAARN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cccc(-n2ccnn2)c1 ZINC000095439514 568610207 /nfs/dbraw/zinc/61/02/07/568610207.db2.gz HKWKHWJDVSCRHG-OAHLLOKOSA-N 0 0 412.291 3.039 50 0 HGAARN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1 ZINC000095441274 568610590 /nfs/dbraw/zinc/61/05/90/568610590.db2.gz IKZOUTNKOXUMTB-KSSFIOAISA-N 0 0 420.307 3.395 50 0 HGAARN Cc1nc(-c2cccc(CNS(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)c2)n[nH]1 ZINC000095442480 568611084 /nfs/dbraw/zinc/61/10/84/568611084.db2.gz LDKJWJJACLQMHA-UHFFFAOYSA-N 0 0 412.302 3.148 50 0 HGAARN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1nccnc1N)c1ccc2ccccc2c1 ZINC000095446672 568611986 /nfs/dbraw/zinc/61/19/86/568611986.db2.gz GMDJKNJNTZFRCN-QGZVFWFLSA-N 0 0 407.474 3.208 50 0 HGAARN CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1 ZINC000020486629 568613186 /nfs/dbraw/zinc/61/31/86/568613186.db2.gz UWHLYMVQILKAMI-UHFFFAOYSA-N 0 0 418.500 3.014 50 0 HGAARN COC(=O)N[C@@H](C(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1)C(C)C ZINC000095453077 568615626 /nfs/dbraw/zinc/61/56/26/568615626.db2.gz SYHZKOKDSZSOGO-MRXNPFEDSA-N 0 0 402.322 3.413 50 0 HGAARN Cc1ccc(-n2ncc(C(=O)N(C)Cc3nnc4n3CCC4)c2C(F)(F)F)cc1 ZINC000040092666 568616174 /nfs/dbraw/zinc/61/61/74/568616174.db2.gz SXNAKZJPBCLPNN-UHFFFAOYSA-N 0 0 404.396 3.009 50 0 HGAARN Cc1ccn2ncc(C(=O)N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)c2n1 ZINC000095455852 568616945 /nfs/dbraw/zinc/61/69/45/568616945.db2.gz RDQFAJMRLORWGT-UHFFFAOYSA-N 0 0 401.511 3.147 50 0 HGAARN O=S(=O)(NCCSCc1ccnc(Cl)c1)c1c(Cl)nc2ccccn21 ZINC000095458396 568618975 /nfs/dbraw/zinc/61/89/75/568618975.db2.gz ZXQWLCPXZWFRQB-UHFFFAOYSA-N 0 0 417.343 3.248 50 0 HGAARN CCCN(C)c1ccc(C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000095459672 568619731 /nfs/dbraw/zinc/61/97/31/568619731.db2.gz GXAGBJXVYCQLHZ-WOJBJXKFSA-N 0 0 417.594 3.263 50 0 HGAARN COC(=O)C1(NC(=O)CNc2ccc(C(=O)NCC(C)C)c(Cl)c2)CCCCC1 ZINC000095460368 568620176 /nfs/dbraw/zinc/62/01/76/568620176.db2.gz BRMCAUPBXFUMHX-UHFFFAOYSA-N 0 0 423.941 3.130 50 0 HGAARN CN(Cc1nccn1CC(F)(F)F)C[C@H]1C(=O)Nc2cc(Br)ccc21 ZINC000095467798 568624786 /nfs/dbraw/zinc/62/47/86/568624786.db2.gz FDPNFVAZXKZZJI-GFCCVEGCSA-N 0 0 417.229 3.376 50 0 HGAARN O=C(N[C@H](c1nc[nH]n1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000095467860 568624814 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CCOC(=O)C1=C(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)NC(=O)N[C@H]1C ZINC000225498958 568643626 /nfs/dbraw/zinc/64/36/26/568643626.db2.gz GOHLCEDCABWBBI-YCRPNKLZSA-N 0 0 411.477 3.365 50 0 HGAARN NC(=O)c1cc(NC(=O)c2ccc(I)cc2)ccc1Cl ZINC000029017405 568643768 /nfs/dbraw/zinc/64/37/68/568643768.db2.gz GKEVZYVSRZLHKT-UHFFFAOYSA-N 0 0 400.603 3.296 50 0 HGAARN COc1cccc(CCNC(=O)CN2c3ccccc3-n3cccc3SCC2=O)c1 ZINC000020860523 568646033 /nfs/dbraw/zinc/64/60/33/568646033.db2.gz XPDQLFFZMNJCON-UHFFFAOYSA-N 0 0 421.522 3.284 50 0 HGAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3cccc(C)c3)cc2)S1 ZINC000020895392 568648822 /nfs/dbraw/zinc/64/88/22/568648822.db2.gz HIONRRGSNZEMJI-FQEVSTJZSA-N 0 0 413.499 3.454 50 0 HGAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1F ZINC000020895507 568648898 /nfs/dbraw/zinc/64/88/98/568648898.db2.gz MTPKCPCYJUSCAM-IBGZPJMESA-N 0 0 417.462 3.414 50 0 HGAARN Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)NCc3ccccc3F)c(=O)c12 ZINC000020947113 568653671 /nfs/dbraw/zinc/65/36/71/568653671.db2.gz OEWDACYBIIRVJP-UHFFFAOYSA-N 0 0 404.445 3.260 50 0 HGAARN C=C1C(NCCc2ccc(OC)c(OC)c2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000020977063 568653883 /nfs/dbraw/zinc/65/38/83/568653883.db2.gz SNOZEQSGZSXDSI-UHFFFAOYSA-N 0 0 404.463 3.148 50 0 HGAARN Cc1nn(CCC(=O)Nc2ccc(C)cc2Cl)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021028887 568659108 /nfs/dbraw/zinc/65/91/08/568659108.db2.gz FVNACFPYDNFCFP-UHFFFAOYSA-N 0 0 424.954 3.275 50 0 HGAARN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)N2CCc3ccccc32)c(C)n1C ZINC000021030282 568659312 /nfs/dbraw/zinc/65/93/12/568659312.db2.gz INXQJIKOVMQTDF-UHFFFAOYSA-N 0 0 415.559 3.265 50 0 HGAARN CC(C)Cc1ncnc(N[C@H]2c3ccccc3C[C@H]2O)c1I ZINC000225651094 568660296 /nfs/dbraw/zinc/66/02/96/568660296.db2.gz HTEQAXCBEVHCCS-ZBFHGGJFSA-N 0 0 409.271 3.350 50 0 HGAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1c(F)c(F)cc(F)c1F ZINC000021052250 568660896 /nfs/dbraw/zinc/66/08/96/568660896.db2.gz DEZLUJYEFCPGTN-CYBMUJFWSA-N 0 0 410.414 3.246 50 0 HGAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000021053429 568661003 /nfs/dbraw/zinc/66/10/03/568661003.db2.gz ZBQRGKCJFMGTNZ-UHFFFAOYSA-N 0 0 415.490 3.024 50 0 HGAARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1c(F)c(F)cc(F)c1F ZINC000021052258 568661091 /nfs/dbraw/zinc/66/10/91/568661091.db2.gz DEZLUJYEFCPGTN-ZDUSSCGKSA-N 0 0 410.414 3.246 50 0 HGAARN Cc1nc(C)n(-c2ccc(C(=O)N3CCOC[C@@H]3Cc3c[nH]c4ccccc34)cc2)n1 ZINC000225659392 568661122 /nfs/dbraw/zinc/66/11/22/568661122.db2.gz CDSJWEUFSQGKHJ-NRFANRHFSA-N 0 0 415.497 3.449 50 0 HGAARN CCOc1cc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2F)cc(OCC)c1OCC ZINC000095940352 568661870 /nfs/dbraw/zinc/66/18/70/568661870.db2.gz JYXQLHZZMFWTJD-KRWDZBQOSA-N 0 0 423.456 3.494 50 0 HGAARN CC(C)(C)n1ncnc1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000225718497 568667450 /nfs/dbraw/zinc/66/74/50/568667450.db2.gz FHFCSACOVDDZPY-OAHLLOKOSA-N 0 0 424.332 3.261 50 0 HGAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095950326 568667474 /nfs/dbraw/zinc/66/74/74/568667474.db2.gz UWUZQSKHMUQKAX-OAHLLOKOSA-N 0 0 404.436 3.200 50 0 HGAARN CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1c(F)cccc1Cl ZINC000095950792 568667516 /nfs/dbraw/zinc/66/75/16/568667516.db2.gz RJJRSTXOKPZHDE-UHFFFAOYSA-N 0 0 412.914 3.132 50 0 HGAARN COC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(C)c(Cl)cc3OC)cc2)c1N ZINC000021115625 568668753 /nfs/dbraw/zinc/66/87/53/568668753.db2.gz WGTPKLVTPNDPEF-UHFFFAOYSA-N 0 0 414.849 3.464 50 0 HGAARN O=C(Cc1sc(N2CCOCC2)nc1O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000021133181 568670444 /nfs/dbraw/zinc/67/04/44/568670444.db2.gz KGIHXZQYNFNHMM-LBPRGKRZSA-N 0 0 422.721 3.306 50 0 HGAARN COc1ccc(C)cc1NC(=O)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000096309514 568673926 /nfs/dbraw/zinc/67/39/26/568673926.db2.gz OQEHBYUTYURABU-QGZVFWFLSA-N 0 0 406.548 3.317 50 0 HGAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCN2CCOCC2)CC1=O ZINC000021171713 568676313 /nfs/dbraw/zinc/67/63/13/568676313.db2.gz CSWPOZVWBHDAKV-HXUWFJFHSA-N 0 0 418.541 3.451 50 0 HGAARN CS(=O)(=O)CCOCCNc1ccc2c(Br)ccc(Cl)c2n1 ZINC000095986655 568676446 /nfs/dbraw/zinc/67/64/46/568676446.db2.gz CVAJEVDDRUWFQR-UHFFFAOYSA-N 0 0 407.717 3.124 50 0 HGAARN O=C(NC1CCN(c2nc3ccccc3s2)CC1)C1CCN(c2cnccn2)CC1 ZINC000021175740 568677035 /nfs/dbraw/zinc/67/70/35/568677035.db2.gz BDLNNRMKZJSIKQ-UHFFFAOYSA-N 0 0 422.558 3.088 50 0 HGAARN Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)n2nc(C(F)(F)F)nc2n1 ZINC000095988733 568677309 /nfs/dbraw/zinc/67/73/09/568677309.db2.gz NYKGSAIQBLRJDW-NWDGAFQWSA-N 0 0 414.432 3.286 50 0 HGAARN CC(C)c1cccc(NC(=O)N2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1 ZINC000095999232 568680406 /nfs/dbraw/zinc/68/04/06/568680406.db2.gz DXISCVQBZMHBLK-HNNXBMFYSA-N 0 0 405.524 3.316 50 0 HGAARN Cc1noc2ncc(C(=O)N3CCCCC[C@H]3c3noc(-c4cnn(C)c4)n3)cc12 ZINC000096001916 568681436 /nfs/dbraw/zinc/68/14/36/568681436.db2.gz FBIFUIUQTMYVDO-INIZCTEOSA-N 0 0 407.434 3.072 50 0 HGAARN CC(=O)NCCN(C(=O)[C@H](C)SCc1ccccc1)[C@H](C)C(=O)OC(C)(C)C ZINC000096004664 568682066 /nfs/dbraw/zinc/68/20/66/568682066.db2.gz CUQHOPUMWHUCOH-CVEARBPZSA-N 0 0 408.564 3.003 50 0 HGAARN OCC[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1Br ZINC000096005734 568682651 /nfs/dbraw/zinc/68/26/51/568682651.db2.gz DVHCQAUPBWLLJW-LLVKDONJSA-N 0 0 416.201 3.441 50 0 HGAARN COc1ccc(OC)c(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)c1 ZINC000021360823 568690019 /nfs/dbraw/zinc/69/00/19/568690019.db2.gz FKXMHCDJFQWMKM-UHFFFAOYSA-N 0 0 400.479 3.200 50 0 HGAARN O=C(c1ccc(Br)o1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099467 568690249 /nfs/dbraw/zinc/69/02/49/568690249.db2.gz LQGUBPAVBNKNNC-UHFFFAOYSA-N 0 0 416.268 3.260 50 0 HGAARN COc1ccc(-c2nn(CCCC(=O)Nc3cc(C)ccn3)c(=O)cc2OC)cc1 ZINC000096100892 568690928 /nfs/dbraw/zinc/69/09/28/568690928.db2.gz KFDRCGAETVNFAY-UHFFFAOYSA-N 0 0 408.458 3.050 50 0 HGAARN CC(C)Cn1ccc2c1cccc2NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O ZINC000096113992 568693556 /nfs/dbraw/zinc/69/35/56/568693556.db2.gz LEQNNAQBYGYMMR-LJQANCHMSA-N 0 0 404.470 3.377 50 0 biogenic HGAARN 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568704921 /nfs/dbraw/zinc/70/49/21/568704921.db2.gz KLMBBDHNRHUFIE-OAHLLOKOSA-N 0 0 403.390 3.393 50 0 biogenic HGAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4nnn(C(C)C)n4)cc3)c2c1 ZINC000096222097 568705414 /nfs/dbraw/zinc/70/54/14/568705414.db2.gz IDFNYADVMRMGCB-UHFFFAOYSA-N 0 0 404.474 3.383 50 0 biogenic HGAARN CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3cccc4c3ccn4C)ccc2NC1=O ZINC000096221817 568705486 /nfs/dbraw/zinc/70/54/86/568705486.db2.gz BDUGYSLYPGRCHM-SFHVURJKSA-N 0 0 422.510 3.234 50 0 biogenic HGAARN CC(C)C[C@@H](C(=O)NCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O ZINC000096224340 568706503 /nfs/dbraw/zinc/70/65/03/568706503.db2.gz FWSSHHPOGATTOW-NRFANRHFSA-N 0 0 404.514 3.303 50 0 HGAARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cccc3ccccc32)o1 ZINC000096231026 568707075 /nfs/dbraw/zinc/70/70/75/568707075.db2.gz UHUFWZVNMPVUMF-HXUWFJFHSA-N 0 0 423.465 3.026 50 0 HGAARN COc1ccc(S(=O)(=O)CCNC(=O)Cc2cn(C(C)C)c3ccccc23)cc1 ZINC000096232517 568708227 /nfs/dbraw/zinc/70/82/27/568708227.db2.gz 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ZINC000021536028 568712088 /nfs/dbraw/zinc/71/20/88/568712088.db2.gz YJSNUPUUUULCLJ-UHFFFAOYSA-N 0 0 410.449 3.348 50 0 HGAARN O=C(c1n[nH]c(=O)c2ccccc21)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000021548728 568714103 /nfs/dbraw/zinc/71/41/03/568714103.db2.gz FNRDYAPVHPWWSZ-UHFFFAOYSA-N 0 0 422.488 3.451 50 0 HGAARN COc1cc(-c2noc(CCNC(=O)CCc3ccccc3)n2)cc(OC)c1OC ZINC000096275985 568714763 /nfs/dbraw/zinc/71/47/63/568714763.db2.gz HHONALSQXCEASS-UHFFFAOYSA-N 0 0 411.458 3.054 50 0 HGAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096275923 568714847 /nfs/dbraw/zinc/71/48/47/568714847.db2.gz FAQSTPBHACAWIG-KRWDZBQOSA-N 0 0 401.444 3.141 50 0 HGAARN C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000229758472 568715223 /nfs/dbraw/zinc/71/52/23/568715223.db2.gz AEFSRUBFMVGIRF-GKBFQHABSA-N 0 0 420.575 3.185 50 0 HGAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C[C@H]2C)cc1 ZINC000229907074 568716042 /nfs/dbraw/zinc/71/60/42/568716042.db2.gz OEQNIIWYGKTGIA-GOSISDBHSA-N 0 0 413.543 3.021 50 0 HGAARN Cc1ccc(NC(=O)[C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1Cl ZINC000012414574 568717081 /nfs/dbraw/zinc/71/70/81/568717081.db2.gz DWWBFLKZILDWQQ-CQSZACIVSA-N 0 0 419.812 3.336 50 0 HGAARN COc1ccc(C(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1OC ZINC000012415273 568717497 /nfs/dbraw/zinc/71/74/97/568717497.db2.gz QIUMUVNIAVVNAB-UHFFFAOYSA-N 0 0 400.431 3.364 50 0 HGAARN C[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc(F)cc1 ZINC000096280344 568717877 /nfs/dbraw/zinc/71/78/77/568717877.db2.gz SHKSVWRQGFVKFU-LBPRGKRZSA-N 0 0 416.396 3.271 50 0 HGAARN CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@@H]2O4)cc1 ZINC000096286765 568719265 /nfs/dbraw/zinc/71/92/65/568719265.db2.gz NMEMDHFMQYFDEN-XARGGIHNSA-N 0 0 403.482 3.126 50 0 biogenic HGAARN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012438072 568723044 /nfs/dbraw/zinc/72/30/44/568723044.db2.gz FYFHGMWBQDVCQU-YVWKXTFCSA-N 0 0 421.902 3.245 50 0 HGAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000096310456 568724370 /nfs/dbraw/zinc/72/43/70/568724370.db2.gz ATNJOLTUGUMEHR-CYBMUJFWSA-N 0 0 406.408 3.076 50 0 HGAARN CCc1nnc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)cc2)o1 ZINC000012443901 568725265 /nfs/dbraw/zinc/72/52/65/568725265.db2.gz BTTDDEDPXIEOAN-OAHLLOKOSA-N 0 0 406.442 3.299 50 0 HGAARN CNC(=O)c1cnc(C=Cc2cccc(NC(=O)c3ccccc3Cl)c2)[nH]c1=O ZINC000096316189 568725671 /nfs/dbraw/zinc/72/56/71/568725671.db2.gz OCTLJPZLZPLIES-KTKRTIGZSA-N 0 0 408.845 3.206 50 0 HGAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000238950838 568727540 /nfs/dbraw/zinc/72/75/40/568727540.db2.gz ZWEYECKGSIUVIR-NJDAHSKKSA-N 0 0 401.422 3.141 50 0 HGAARN C[C@@H](NC(=O)CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)c1ccccc1 ZINC000021640592 568727790 /nfs/dbraw/zinc/72/77/90/568727790.db2.gz HPJFYZPLVKNZBB-MRXNPFEDSA-N 0 0 419.460 3.219 50 0 HGAARN C[C@H](CNC(=O)CCCN1c2cc(-c3cccn3C)nn2CCC1=O)c1ccccc1 ZINC000021644780 568727913 /nfs/dbraw/zinc/72/79/13/568727913.db2.gz VEZBNQLRJAPNKD-GOSISDBHSA-N 0 0 419.529 3.325 50 0 HGAARN Cc1cc(C)c(C(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)cc1C ZINC000096321836 568729277 /nfs/dbraw/zinc/72/92/77/568729277.db2.gz IZPPVXRRFGGYQL-UHFFFAOYSA-N 0 0 424.526 3.337 50 0 HGAARN O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000239433710 568729528 /nfs/dbraw/zinc/72/95/28/568729528.db2.gz YISJDWXIOAZCNV-GKAQULHVSA-N 0 0 417.767 3.038 50 0 HGAARN Cn1c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2sc1=O ZINC000096321908 568729587 /nfs/dbraw/zinc/72/95/87/568729587.db2.gz TUSHQEZIOPZROI-UHFFFAOYSA-N 0 0 402.541 3.243 50 0 HGAARN O=C(Cn1nc2c3cc(-c4ccccc4)nn3ccn2c1=O)Nc1ccc(Cl)cc1 ZINC000096322440 568730349 /nfs/dbraw/zinc/73/03/49/568730349.db2.gz DHSJNBQZXIXBRE-UHFFFAOYSA-N 0 0 418.844 3.103 50 0 HGAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)c3nnc([C@H](C)CC)[nH]3)cc2)c1C ZINC000241439991 568731293 /nfs/dbraw/zinc/73/12/93/568731293.db2.gz NOCRCJHYLJOHJT-ZIAGYGMSSA-N 0 0 424.505 3.480 50 0 HGAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1nc2ccc(Br)cn2n1 ZINC000241897199 568731967 /nfs/dbraw/zinc/73/19/67/568731967.db2.gz TWMBTLSHCFKSGI-AWEZNQCLSA-N 0 0 418.295 3.042 50 0 HGAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc2=O)cc1C ZINC000096324192 568733428 /nfs/dbraw/zinc/73/34/28/568733428.db2.gz GVWJUAWEIZKCMR-UHFFFAOYSA-N 0 0 422.916 3.465 50 0 HGAARN Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c(Cl)c1 ZINC000005791523 568733728 /nfs/dbraw/zinc/73/37/28/568733728.db2.gz LYSSSQKSDANCFB-LJQANCHMSA-N 0 0 407.804 3.332 50 0 HGAARN O=C(Cn1cnc2c(c1=O)CCN(Cc1ccccc1)C2)Nc1ccccc1Cl ZINC000021658470 568734936 /nfs/dbraw/zinc/73/49/36/568734936.db2.gz BQWCYSGEQXLQFV-UHFFFAOYSA-N 0 0 408.889 3.094 50 0 HGAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc1 ZINC000021660756 568735617 /nfs/dbraw/zinc/73/56/17/568735617.db2.gz FUEORQUTTDTYRF-OAHLLOKOSA-N 0 0 401.426 3.318 50 0 HGAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2 ZINC000096331414 568735952 /nfs/dbraw/zinc/73/59/52/568735952.db2.gz KIHOASCISSNFIP-UHFFFAOYSA-N 0 0 417.444 3.404 50 0 HGAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1cccc(F)c1)C2 ZINC000096331532 568735960 /nfs/dbraw/zinc/73/59/60/568735960.db2.gz GDZJQKIQMIPATO-UHFFFAOYSA-N 0 0 417.444 3.399 50 0 HGAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1 ZINC000096331598 568736143 /nfs/dbraw/zinc/73/61/43/568736143.db2.gz KLWITOARUBTRFF-UHFFFAOYSA-N 0 0 417.922 3.021 50 0 HGAARN CCC[C@@H](NC(=O)Cc1ccc(OC)c(Cl)c1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000096332552 568736441 /nfs/dbraw/zinc/73/64/41/568736441.db2.gz GQOKCTOMFCBRRF-QGZVFWFLSA-N 0 0 414.893 3.113 50 0 HGAARN O=C(NCCn1ccc2c1cccc2Cl)c1cc(Cl)ccc1-n1cnnn1 ZINC000096345086 568737470 /nfs/dbraw/zinc/73/74/70/568737470.db2.gz ZNXYXOMVBFLBDV-UHFFFAOYSA-N 0 0 401.257 3.354 50 0 HGAARN O=C(NCc1csc([C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1)C1CC1 ZINC000096372789 568740224 /nfs/dbraw/zinc/74/02/24/568740224.db2.gz ZVONSOQJCJMYML-CYBMUJFWSA-N 0 0 405.470 3.467 50 0 HGAARN Cc1[nH]c(C)c(S(=O)(=O)NCc2cc(F)cc(F)c2)c1-c1nnc(C2CC2)o1 ZINC000096379664 568741230 /nfs/dbraw/zinc/74/12/30/568741230.db2.gz AVHKOJBNCJQHSR-UHFFFAOYSA-N 0 0 408.430 3.316 50 0 HGAARN COc1ccccc1CNS(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C2CCC2)o1 ZINC000096379710 568741407 /nfs/dbraw/zinc/74/14/07/568741407.db2.gz MIEKORJWSAXLLK-UHFFFAOYSA-N 0 0 416.503 3.436 50 0 HGAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2C)cc1 ZINC000000893921 568741555 /nfs/dbraw/zinc/74/15/55/568741555.db2.gz FSQSLFLUWOILFK-IBGZPJMESA-N 0 0 416.543 3.102 50 0 HGAARN CC(=O)c1ccc(NC(=O)Cn2c3cccnc3n(-c3ccc(C)cc3)c2=O)cc1 ZINC000096385522 568741758 /nfs/dbraw/zinc/74/17/58/568741758.db2.gz JIKKCGAYWDVHMU-UHFFFAOYSA-N 0 0 400.438 3.337 50 0 HGAARN CCOc1ccc([C@@H](C)NC(=O)Cn2c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000096385457 568741813 /nfs/dbraw/zinc/74/18/13/568741813.db2.gz CCJQKOJDUQLUEF-QGZVFWFLSA-N 0 0 416.481 3.463 50 0 HGAARN O=C(Cc1nnc(NC(=O)Nc2cc(F)ccc2F)s1)NCc1ccccc1 ZINC000021703721 568742438 /nfs/dbraw/zinc/74/24/38/568742438.db2.gz PAFDYOXYRCMGCF-UHFFFAOYSA-N 0 0 403.414 3.319 50 0 HGAARN Cc1ccc(C(=O)NCCn2c(=O)n(Cc3cccc(C)c3)c3cccnc32)s1 ZINC000096386124 568742442 /nfs/dbraw/zinc/74/24/42/568742442.db2.gz WCBCCWRMSQQPDD-UHFFFAOYSA-N 0 0 406.511 3.355 50 0 HGAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3cnc4nccnc4c3)C2)cc1 ZINC000096387314 568744208 /nfs/dbraw/zinc/74/42/08/568744208.db2.gz XYANYSBFXIVOAA-GOSISDBHSA-N 0 0 405.502 3.345 50 0 HGAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cncc(Br)c3)sc2c1 ZINC000000953137 568758635 /nfs/dbraw/zinc/75/86/35/568758635.db2.gz WPNCCIOPXUFVDJ-UHFFFAOYSA-N 0 0 412.290 3.110 50 0 HGAARN COc1cccc(NC(=O)CC2SC(c3cc4ccccc4oc3=O)=NC2=O)c1 ZINC000018992286 568745018 /nfs/dbraw/zinc/74/50/18/568745018.db2.gz AURAAWFFEYHAHJ-KRWDZBQOSA-N 0 0 408.435 3.219 50 0 HGAARN Cc1oc(C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)nc1C(=O)N1CCCC1 ZINC000096396863 568745472 /nfs/dbraw/zinc/74/54/72/568745472.db2.gz HYBAOBNEHDFNOO-UHFFFAOYSA-N 0 0 410.518 3.305 50 0 HGAARN C[C@H](NC(=O)Cc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn21)c1ccc(F)cc1 ZINC000096397971 568746508 /nfs/dbraw/zinc/74/65/08/568746508.db2.gz QDYXUWMNWDMJAB-LBPRGKRZSA-N 0 0 409.396 3.195 50 0 HGAARN O=C(Cc1n[nH]c(=O)c2cc(-c3cccs3)nn21)Nc1ccc(F)cc1Cl ZINC000096398026 568746801 /nfs/dbraw/zinc/74/68/01/568746801.db2.gz TXZURZOURFJGGU-UHFFFAOYSA-N 0 0 403.826 3.120 50 0 HGAARN Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4sc(C(=O)N(C)C)cc4C3)CC2)cc1 ZINC000096398277 568746861 /nfs/dbraw/zinc/74/68/61/568746861.db2.gz UMLNPTBQONFQKW-QGZVFWFLSA-N 0 0 411.571 3.212 50 0 HGAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)N3CCC(C)CC3)sc2c1 ZINC000096399575 568747942 /nfs/dbraw/zinc/74/79/42/568747942.db2.gz TYQCQFJVEQCRGN-UHFFFAOYSA-N 0 0 413.590 3.409 50 0 HGAARN COc1ccc(-n2c(CNc3ccc(Cl)cc3)nnc2SCC(N)=O)cc1 ZINC000000900443 568749353 /nfs/dbraw/zinc/74/93/53/568749353.db2.gz DOFBUTCGYSHVLS-UHFFFAOYSA-N 0 0 403.895 3.119 50 0 HGAARN 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411.527 3.453 50 0 HGAARN Cc1c(C(=O)N2CCc3ccccc32)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000064865906 569110792 /nfs/dbraw/zinc/11/07/92/569110792.db2.gz YLKILXSQPYLSRR-HNNXBMFYSA-N 0 0 415.559 3.265 50 0 HGAARN CSc1cccc(NC(=O)c2nnn(CC(=O)Nc3cc(C)cc(C)c3)c2N)c1 ZINC000006754154 569110922 /nfs/dbraw/zinc/11/09/22/569110922.db2.gz PITUIOGUHDGHEH-UHFFFAOYSA-N 0 0 410.503 3.090 50 0 HGAARN O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000006759795 569113275 /nfs/dbraw/zinc/11/32/75/569113275.db2.gz NXSSGYPVVHRRQW-GJPOJAMWSA-N 0 0 408.885 3.303 50 0 HGAARN CCNC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C1CC1 ZINC000006765992 569114597 /nfs/dbraw/zinc/11/45/97/569114597.db2.gz VAMGMVDIDXZYOZ-UHFFFAOYSA-N 0 0 404.488 3.157 50 0 HGAARN COc1ccc(CCNC(=O)CCC(=O)n2ncc3ccc(Cl)cc32)cc1OC ZINC000006768522 569115601 /nfs/dbraw/zinc/11/56/01/569115601.db2.gz IOFCTMRQZUPHGR-UHFFFAOYSA-N 0 0 415.877 3.486 50 0 HGAARN O=C(c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1)N1CCC2(CC1)OCCO2 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C[C@H](c1ccccc1)N1C(=O)N[C@H](CCC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000036593296 569204344 /nfs/dbraw/zinc/20/43/44/569204344.db2.gz MNNANYTVBNVIPD-RHSMWYFYSA-N 0 0 409.442 3.063 50 0 HGAARN CCCNc1cc(N2CCC[C@@H](CCC(=O)N(C)CCc3ccncc3)C2)ncn1 ZINC000065242433 569204657 /nfs/dbraw/zinc/20/46/57/569204657.db2.gz TWSWSSOBKGCWGG-FQEVSTJZSA-N 0 0 410.566 3.391 50 0 HGAARN CN(CCc1ccncc1)C(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000065245220 569205165 /nfs/dbraw/zinc/20/51/65/569205165.db2.gz KQNQEEIFNSJTEO-IBGZPJMESA-N 0 0 408.550 3.144 50 0 HGAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C(C)C)o4)co3)CC2)cc1 ZINC000065246610 569205656 /nfs/dbraw/zinc/20/56/56/569205656.db2.gz NDAAOXHYPSSSQX-UHFFFAOYSA-N 0 0 416.503 3.272 50 0 HGAARN Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(=O)NCc1cccc(Cl)c1 ZINC000065250349 569206118 /nfs/dbraw/zinc/20/61/18/569206118.db2.gz WFKFPPOSRHELSJ-UHFFFAOYSA-N 0 0 408.849 3.273 50 0 HGAARN COc1ccc(-c2cc(C(=O)N(C)Cc3cn(C)nc3C)c3c(C)nn(C)c3n2)cc1 ZINC000036615818 569207046 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O=C(NC[C@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000238839343 569225451 /nfs/dbraw/zinc/22/54/51/569225451.db2.gz HMJGZGFIPLDHRB-SFHVURJKSA-N 0 0 424.400 3.351 50 0 HGAARN COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC000007155589 569225860 /nfs/dbraw/zinc/22/58/60/569225860.db2.gz WHWALPAZGQIDQZ-IAGOWNOFSA-N 0 0 416.543 3.292 50 0 HGAARN CCOC(=O)C1=C(COC(=O)c2cc3cc(F)ccc3s2)NC(=O)N[C@H]1CC ZINC000007166132 569226997 /nfs/dbraw/zinc/22/69/97/569226997.db2.gz BGYPTPPDWWYASK-LBPRGKRZSA-N 0 0 406.435 3.106 50 0 HGAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)N(Cc1ccc3c(c1)OCO3)C1CCCC1)CS2 ZINC000036774040 569227849 /nfs/dbraw/zinc/22/78/49/569227849.db2.gz CUZLVUFABDBAQO-IIBYNOLFSA-N 0 0 402.516 3.141 50 0 HGAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc2cc(C)c3ccccc3n21 ZINC000007246028 569229870 /nfs/dbraw/zinc/22/98/70/569229870.db2.gz IUKDVPJBXYHCSE-QGZVFWFLSA-N 0 0 412.515 3.227 50 0 HGAARN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000065474488 569231307 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COc1ccc(CCn2cc(C(=O)Nc3cnn(C)c3)c3ccccc3c2=O)cc1 ZINC000071288333 569252420 /nfs/dbraw/zinc/25/24/20/569252420.db2.gz KNGGCMDHHVGEBF-UHFFFAOYSA-N 0 0 402.454 3.239 50 0 HGAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009956354 569252672 /nfs/dbraw/zinc/25/26/72/569252672.db2.gz XIMSMOPUWUTOGR-UHFFFAOYSA-N 0 0 411.849 3.281 50 0 HGAARN O=C(COc1ccc(Cl)cc1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010216293 569253486 /nfs/dbraw/zinc/25/34/86/569253486.db2.gz AIQGJIHSTFCUCG-UHFFFAOYSA-N 0 0 416.861 3.325 50 0 HGAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000010219302 569253793 /nfs/dbraw/zinc/25/37/93/569253793.db2.gz XTCHCMQZHQSCOF-UHFFFAOYSA-N 0 0 406.460 3.370 50 0 HGAARN CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)sc2c1 ZINC000010219260 569253823 /nfs/dbraw/zinc/25/38/23/569253823.db2.gz ZYRWDLVZRWDXAX-UHFFFAOYSA-N 0 0 406.485 3.116 50 0 HGAARN COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000013324442 569254910 /nfs/dbraw/zinc/25/49/10/569254910.db2.gz 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/nfs/dbraw/zinc/26/81/07/569268107.db2.gz RXFMUGCCLVRXJO-UHFFFAOYSA-N 0 0 422.503 3.487 50 0 HGAARN CCN(CC)C(=O)CCCC(=O)N[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000089967606 569270126 /nfs/dbraw/zinc/27/01/26/569270126.db2.gz BYFZQWGCWYRSJP-QGZVFWFLSA-N 0 0 400.523 3.156 50 0 HGAARN CCOc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)cc1 ZINC000016981136 569270258 /nfs/dbraw/zinc/27/02/58/569270258.db2.gz WIKFXNOCOJJSHQ-UHFFFAOYSA-N 0 0 409.490 3.159 50 0 HGAARN O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccco2)cc1 ZINC000170633694 569274877 /nfs/dbraw/zinc/27/48/77/569274877.db2.gz BYEKEJLTTQSFMA-SFHVURJKSA-N 0 0 424.544 3.026 50 0 HGAARN Cc1ccc(NC(=O)C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000017120508 569274999 /nfs/dbraw/zinc/27/49/99/569274999.db2.gz SCQLSVAJRYDKOH-HXUWFJFHSA-N 0 0 415.921 3.167 50 0 HGAARN O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cc2ccccc2oc1=O ZINC000017201115 569276550 /nfs/dbraw/zinc/27/65/50/569276550.db2.gz DDSVXGKRFOUFHO-UHFFFAOYSA-N 0 0 421.840 3.100 50 0 HGAARN 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CCOc1ccc(-n2c(SCCOC(=O)[C@@H](C)O)nnc2-c2ccccc2)cc1 ZINC000328589722 569414805 /nfs/dbraw/zinc/41/48/05/569414805.db2.gz GJFOSDPIFFLGJX-OAHLLOKOSA-N 0 0 413.499 3.349 50 0 HGAARN O=C(Nc1ccc(OC(F)F)cc1)N1CC(S(=O)(=O)c2ccccc2F)C1 ZINC000328596705 569416140 /nfs/dbraw/zinc/41/61/40/569416140.db2.gz RBWVSNWYZRANJE-UHFFFAOYSA-N 0 0 400.378 3.117 50 0 HGAARN COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc4ccccc4c3)cc2N)cc1 ZINC000328598345 569416225 /nfs/dbraw/zinc/41/62/25/569416225.db2.gz LOMQXQWXVHLNMH-UHFFFAOYSA-N 0 0 423.450 3.083 50 0 HGAARN CCS(=O)(=O)Nc1ccccc1C1=NN(C(C)=O)[C@H](c2cccc(OC)c2)C1 ZINC000328598385 569416250 /nfs/dbraw/zinc/41/62/50/569416250.db2.gz MDPPTWBRUGXDSM-FQEVSTJZSA-N 0 0 401.488 3.154 50 0 HGAARN CCC12CN3CC(CC)(CN(C1)C31c3ccccc3N(Cc3ccccc3)C1=O)C2=O ZINC000019323144 569418696 /nfs/dbraw/zinc/41/86/96/569418696.db2.gz NOFRVEKTEKLFCN-UHFFFAOYSA-N 0 0 415.537 3.393 50 0 biogenic HGAARN CC1(C)CC2(CCO1)N1CC3(c4ccccc4)CN2CC(c2ccccc2)(C1)C3O ZINC000019331556 569419893 /nfs/dbraw/zinc/41/98/93/569419893.db2.gz HWFRSDMYEVVOHZ-UHFFFAOYSA-N 0 0 404.554 3.153 50 0 biogenic HGAARN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C ZINC000078877863 569421323 /nfs/dbraw/zinc/42/13/23/569421323.db2.gz ZWDUMAPBKXPYDV-IBGZPJMESA-N 0 0 421.545 3.166 50 0 HGAARN O=C(CN(Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000078947838 569421959 /nfs/dbraw/zinc/42/19/59/569421959.db2.gz USHULLUKQOCIKX-SFHVURJKSA-N 0 0 400.441 3.231 50 0 HGAARN COc1ccc2oc(C)c(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000078960966 569422230 /nfs/dbraw/zinc/42/22/30/569422230.db2.gz MNDNNOJSLGTWNA-UHFFFAOYSA-N 0 0 411.477 3.441 50 0 HGAARN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000078974668 569422608 /nfs/dbraw/zinc/42/26/08/569422608.db2.gz RCYLTGZDQLXSCE-ILHIWHGASA-N 0 0 423.494 3.100 50 0 HGAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000078976114 569422696 /nfs/dbraw/zinc/42/26/96/569422696.db2.gz QDSIEZINUQWNOG-ZDUSSCGKSA-N 0 0 415.490 3.244 50 0 HGAARN Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)C(C)C)c1 ZINC000079015753 569423898 /nfs/dbraw/zinc/42/38/98/569423898.db2.gz QHFWWPJPWNWAGM-OAQYLSRUSA-N 0 0 406.486 3.002 50 0 HGAARN C[C@@H]1C(=O)Nc2cc(C(=O)NCCOc3cccc(Br)c3)ccc2N1C ZINC000079020704 569424384 /nfs/dbraw/zinc/42/43/84/569424384.db2.gz AWUORAPKVZVZNQ-GFCCVEGCSA-N 0 0 418.291 3.035 50 0 HGAARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1(Br)CCC1 ZINC000079054606 569425795 /nfs/dbraw/zinc/42/57/95/569425795.db2.gz SQICTGWXCLTVSE-OAHLLOKOSA-N 0 0 401.732 3.147 50 0 HGAARN CC(C)C[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cn1)N1CCCCC1=O ZINC000079069413 569426725 /nfs/dbraw/zinc/42/67/25/569426725.db2.gz DAITXMWSPGQFFO-HNNXBMFYSA-N 0 0 400.445 3.056 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(F)cc4o3)CC2)c(C)c1 ZINC000079097949 569427362 /nfs/dbraw/zinc/42/73/62/569427362.db2.gz MIITYVCMYHXQGO-UHFFFAOYSA-N 0 0 403.479 3.090 50 0 HGAARN COC(=O)c1c(F)cccc1S(=O)(=O)N(C)Cc1ccccc1Br ZINC000079098231 569427394 /nfs/dbraw/zinc/42/73/94/569427394.db2.gz URVNSYMQRJPNJN-UHFFFAOYSA-N 0 0 416.268 3.196 50 0 HGAARN CCCCn1c2nc(CN3C[C@H]4CCCC[C@@]43c3ccccc3)n(C)c2c(=O)[nH]c1=O ZINC000079103725 569427584 /nfs/dbraw/zinc/42/75/84/569427584.db2.gz KSGBSVWXXJAPHS-HOYKHHGWSA-N 0 0 421.545 3.125 50 0 HGAARN O=C(CN1CCOc2cccc(F)c21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000079103670 569427610 /nfs/dbraw/zinc/42/76/10/569427610.db2.gz YCOWDLNYQCQOHF-UHFFFAOYSA-N 0 0 421.354 3.263 50 0 HGAARN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1cc(C)nc2nc(C(F)(F)F)nn21 ZINC000079109141 569427854 /nfs/dbraw/zinc/42/78/54/569427854.db2.gz XVIWKXONKGYCCE-LBPRGKRZSA-N 0 0 407.396 3.267 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1)CC3 ZINC000079188459 569429070 /nfs/dbraw/zinc/42/90/70/569429070.db2.gz XJTOINYROIXGNC-WZONZLPQSA-N 0 0 403.482 3.281 50 0 biogenic HGAARN CN1CCN(C(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)[C@@H](c2ccccc2)C1 ZINC000019838376 569430909 /nfs/dbraw/zinc/43/09/09/569430909.db2.gz PYZOMTILICDOCY-HXUWFJFHSA-N 0 0 413.884 3.248 50 0 HGAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)c2c1 ZINC000079474994 569431401 /nfs/dbraw/zinc/43/14/01/569431401.db2.gz DWHQMBIFMAPFNZ-OAHLLOKOSA-N 0 0 413.909 3.195 50 0 HGAARN COc1ccc([C@H]2SCC(=O)Nc3ncn(-c4ccccc4)c32)cc1OCC(N)=O ZINC000079475316 569431457 /nfs/dbraw/zinc/43/14/57/569431457.db2.gz AVTZOZBDEBHGKU-HXUWFJFHSA-N 0 0 424.482 3.169 50 0 HGAARN COc1cc(-c2c3c(=O)[nH]n(C(C)C)c3nc3[nH]c(=O)n(C)c32)ccc1OC(F)F ZINC000079485738 569432101 /nfs/dbraw/zinc/43/21/01/569432101.db2.gz QOOAMRZFVHCLKX-UHFFFAOYSA-N 0 0 419.388 3.175 50 0 HGAARN COc1cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc2c1OCCO2 ZINC000079488955 569432329 /nfs/dbraw/zinc/43/23/29/569432329.db2.gz SKNNKYDBHUYKBS-UHFFFAOYSA-N 0 0 421.409 3.005 50 0 HGAARN CS(=O)(=O)Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000057195518 571049734 /nfs/dbraw/zinc/04/97/34/571049734.db2.gz KGSUJRZFAOQKFL-UHFFFAOYSA-N 0 0 408.907 3.398 50 0 HGAARN O=S(=O)(c1nnn2c3ccsc3c(NC3CC3)nc12)c1ccc(Cl)cc1 ZINC000067263385 571061810 /nfs/dbraw/zinc/06/18/10/571061810.db2.gz RUYDSZNBUAXNOG-UHFFFAOYSA-N 0 0 405.892 3.400 50 0 HGAARN NC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 ZINC000067293254 571069022 /nfs/dbraw/zinc/06/90/22/571069022.db2.gz DAMLXXWLNKPOHC-LVWGJNHUSA-N 0 0 400.394 3.117 50 0 HGAARN O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCCO2 ZINC000067298542 571072501 /nfs/dbraw/zinc/07/25/01/571072501.db2.gz YZRWBFFETVBCNT-KZIRDTCISA-N 0 0 422.437 3.051 50 0 HGAARN Cn1cc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c2ccccc21 ZINC000038729758 571074768 /nfs/dbraw/zinc/07/47/68/571074768.db2.gz JUGDKBMEEAOFIG-VXKWHMMOSA-N 0 0 419.500 3.334 50 0 HGAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 ZINC000038732542 571075556 /nfs/dbraw/zinc/07/55/56/571075556.db2.gz LEGWOVZUUFLSEP-VQTJNVASSA-N 0 0 420.538 3.081 50 0 HGAARN Cc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1Cl ZINC000067320221 571076898 /nfs/dbraw/zinc/07/68/98/571076898.db2.gz VNDFMACPUFJZGA-UHFFFAOYSA-N 0 0 401.825 3.047 50 0 HGAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2C)c1 ZINC000067322244 571077977 /nfs/dbraw/zinc/07/79/77/571077977.db2.gz QEHCHZVJBQUWJV-UHFFFAOYSA-N 0 0 423.473 3.112 50 0 HGAARN CCOc1cc(CNC(=O)c2sccc2NC(=O)c2cnccn2)ccc1OC ZINC000067335696 571079683 /nfs/dbraw/zinc/07/96/83/571079683.db2.gz GPORRPWULARSET-UHFFFAOYSA-N 0 0 412.471 3.128 50 0 HGAARN CCOc1cc(=O)n2c(c1C(=O)N1CCN(c3ccc(F)cc3)CC1)CCCCC2 ZINC000067350388 571081570 /nfs/dbraw/zinc/08/15/70/571081570.db2.gz CZCOQPZCSKEQIZ-UHFFFAOYSA-N 0 0 413.493 3.075 50 0 HGAARN COc1cccc(C(=O)C[C@@]2(O)c3ccccc3N(CN3CCCCCC3)C2=O)c1 ZINC000008569932 571082027 /nfs/dbraw/zinc/08/20/27/571082027.db2.gz OTKWGJMRQMGFFW-XMMPIXPASA-N 0 0 408.498 3.336 50 0 HGAARN COc1cccc(CNC(=O)CCn2c(=O)c3cccn3c3ccc(F)cc32)c1OC ZINC000008588405 571084494 /nfs/dbraw/zinc/08/44/94/571084494.db2.gz XMSARKQVMTWAGC-UHFFFAOYSA-N 0 0 423.444 3.117 50 0 HGAARN COc1ccc(Br)cc1CNC(=O)CN1c2ccccc2CCCC1=O ZINC000008590299 571085263 /nfs/dbraw/zinc/08/52/63/571085263.db2.gz SQULPYORTBLPHX-UHFFFAOYSA-N 0 0 417.303 3.443 50 0 HGAARN COc1ccc(CCNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1OC ZINC000008600421 571089852 /nfs/dbraw/zinc/08/98/52/571089852.db2.gz GIXMXPALESTLRG-UHFFFAOYSA-N 0 0 416.499 3.497 50 0 HGAARN CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc21 ZINC000038860523 571090594 /nfs/dbraw/zinc/09/05/94/571090594.db2.gz CMVWRLBVDVRQMK-MRXNPFEDSA-N 0 0 414.405 3.261 50 0 HGAARN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)NCc2ccc(C)cc2)c(C)n1C ZINC000008608169 571093052 /nfs/dbraw/zinc/09/30/52/571093052.db2.gz HDSFDYVSRRPGGY-UHFFFAOYSA-N 0 0 417.575 3.301 50 0 HGAARN Cn1cc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(Cl)cc1 ZINC000008609966 571094019 /nfs/dbraw/zinc/09/40/19/571094019.db2.gz WPCJONHWJXHDIL-UHFFFAOYSA-N 0 0 409.939 3.173 50 0 HGAARN Cn1cc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccccc1Cl ZINC000008609931 571094052 /nfs/dbraw/zinc/09/40/52/571094052.db2.gz CHVALCWHMZECFY-UHFFFAOYSA-N 0 0 409.939 3.173 50 0 HGAARN CCn1c(C[C@H]2c3cc(Br)ccc3N(C)C2=O)nc2ccccc2c1=O ZINC000008612937 571095089 /nfs/dbraw/zinc/09/50/89/571095089.db2.gz IXRUIOXGCGLLCW-HNNXBMFYSA-N 0 0 412.287 3.482 50 0 HGAARN CCOC(=O)Cc1csc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1 ZINC000008686404 571101548 /nfs/dbraw/zinc/10/15/48/571101548.db2.gz DEVOXEAJVSWVED-UHFFFAOYSA-N 0 0 407.542 3.328 50 0 HGAARN Cc1cccc2c(=O)n(CC(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)cnc12 ZINC000008710069 571104700 /nfs/dbraw/zinc/10/47/00/571104700.db2.gz NCVHYYTYZZKSBC-LJQANCHMSA-N 0 0 403.486 3.485 50 0 HGAARN Cc1sc2ncnc(N[C@H](C)C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c2c1C ZINC000008709532 571104829 /nfs/dbraw/zinc/10/48/29/571104829.db2.gz OWDXLUSMFKAXAH-GFCCVEGCSA-N 0 0 422.514 3.004 50 0 HGAARN O=c1c2ccccc2nnn1CSc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000008710479 571105106 /nfs/dbraw/zinc/10/51/06/571105106.db2.gz QCULCQPBHIHGMS-UHFFFAOYSA-N 0 0 419.514 3.112 50 0 HGAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000008710735 571105119 /nfs/dbraw/zinc/10/51/19/571105119.db2.gz PFQJXSFJVYQWON-UHFFFAOYSA-N 0 0 408.546 3.194 50 0 HGAARN Cc1nc(SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)n(C2CCCC2)c1C ZINC000008724987 571108056 /nfs/dbraw/zinc/10/80/56/571108056.db2.gz FFVNOSZAXKSQIS-UHFFFAOYSA-N 0 0 422.576 3.302 50 0 HGAARN Cc1ccc(NCC(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC000008725791 571108320 /nfs/dbraw/zinc/10/83/20/571108320.db2.gz HTYZMROVKSCSER-INIZCTEOSA-N 0 0 407.561 3.082 50 0 HGAARN COc1ccc(-c2cc(NC(=O)c3ccc(S(N)(=O)=O)cc3)ccc2OC)cc1 ZINC000008750022 571111806 /nfs/dbraw/zinc/11/18/06/571111806.db2.gz HFOLOHBOIRFMRJ-UHFFFAOYSA-N 0 0 412.467 3.271 50 0 HGAARN CCC1(CC)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000008755752 571113359 /nfs/dbraw/zinc/11/33/59/571113359.db2.gz UQOSBKIRRKFMRH-KRWDZBQOSA-N 0 0 417.556 3.394 50 0 HGAARN Cc1c(CC(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(=O)oc2cc(O)cc(O)c12 ZINC000008764571 571115091 /nfs/dbraw/zinc/11/50/91/571115091.db2.gz WEKDSHIEBDHNIT-LBPRGKRZSA-N 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ZINC000039563681 571133409 /nfs/dbraw/zinc/13/34/09/571133409.db2.gz XOTMPPLPIUVYMK-MCIONIFRSA-N 0 0 410.609 3.432 50 0 HGAARN CC(=O)Nc1ccc(OC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 ZINC000039969508 571135203 /nfs/dbraw/zinc/13/52/03/571135203.db2.gz PUYNZUICSSAAKY-UHFFFAOYSA-N 0 0 407.426 3.426 50 0 HGAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1 ZINC000039978235 571135648 /nfs/dbraw/zinc/13/56/48/571135648.db2.gz BJEAZPXAOJYDDG-ZDUSSCGKSA-N 0 0 405.520 3.005 50 0 HGAARN Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)o2)cs1 ZINC000040012241 571137950 /nfs/dbraw/zinc/13/79/50/571137950.db2.gz OOJGULVIXTUMLP-KRWDZBQOSA-N 0 0 409.511 3.419 50 0 HGAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000040030701 571140800 /nfs/dbraw/zinc/14/08/00/571140800.db2.gz IQPLQIHPTSMDIM-UHFFFAOYSA-N 0 0 423.437 3.020 50 0 HGAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000040037701 571141633 /nfs/dbraw/zinc/14/16/33/571141633.db2.gz 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ZINC000032779077 523210838 /nfs/dbraw/zinc/21/08/38/523210838.db2.gz YCCLEOQOEYIJSC-CYBMUJFWSA-N 0 0 408.545 3.308 50 0 HGAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@H]2C[C@H](C)OC2=O)cc1 ZINC000032736677 523247074 /nfs/dbraw/zinc/24/70/74/523247074.db2.gz MSFOSTWYTYVNKI-YWZLYKJASA-N 0 0 406.438 3.468 50 0 HGAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(OC)c2)cc1 ZINC000032103666 523249463 /nfs/dbraw/zinc/24/94/63/523249463.db2.gz CGIRMINVTSGBJS-GOSISDBHSA-N 0 0 406.442 3.398 50 0 HGAARN COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccs1 ZINC000032453842 523336734 /nfs/dbraw/zinc/33/67/34/523336734.db2.gz BLLFOINCQGGTLO-WMZOPIPTSA-N 0 0 412.511 3.010 50 0 HGAARN COc1ccc(-n2cnc3cc(C(=O)NCc4ccccc4OC)ccc3c2=O)cc1 ZINC000032094139 523340613 /nfs/dbraw/zinc/34/06/13/523340613.db2.gz QIUGOLUHHRAWNN-UHFFFAOYSA-N 0 0 415.449 3.333 50 0 HGAARN COc1ccc(/C=C/C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cc1OC ZINC000044002141 523392267 /nfs/dbraw/zinc/39/22/67/523392267.db2.gz LYPMYFXSAWWJJT-KZZDLZNXSA-N 0 0 424.497 3.378 50 0 HGAARN COc1ccc(Br)c(C(=O)NCC2CCN(c3ccccn3)CC2)c1 ZINC000043976224 523477371 /nfs/dbraw/zinc/47/73/71/523477371.db2.gz MOGBLFSIDJDYIW-UHFFFAOYSA-N 0 0 404.308 3.499 50 0 HGAARN CN(Cc1cnn(C)c1)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 ZINC000072289569 523513448 /nfs/dbraw/zinc/51/34/48/523513448.db2.gz KGMFQOJFMBMMAL-UHFFFAOYSA-N 0 0 419.551 3.037 50 0 HGAARN CCc1c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cnn1-c1ccc(C)cc1 ZINC000032796027 523691992 /nfs/dbraw/zinc/69/19/92/523691992.db2.gz PKAVHCPGASUDIP-UHFFFAOYSA-N 0 0 406.486 3.371 50 0 HGAARN COc1ccc(C(=O)NCCc2csc3nc(-c4ccc(OC)cc4)nn23)cc1 ZINC000020556871 523701804 /nfs/dbraw/zinc/70/18/04/523701804.db2.gz KVVHENWXZQTFDS-UHFFFAOYSA-N 0 0 408.483 3.448 50 0 HGAARN CN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@H]1CCCc2ccccc21 ZINC000032969006 523791723 /nfs/dbraw/zinc/79/17/23/523791723.db2.gz ANANSRWYZJCIOI-NRFANRHFSA-N 0 0 413.543 3.018 50 0 HGAARN CN(C(=O)CSc1nnc(C(F)(F)F)n1N)C(c1ccccc1)c1ccccc1 ZINC000032910287 523841260 /nfs/dbraw/zinc/84/12/60/523841260.db2.gz FETWWWABCHXOMD-UHFFFAOYSA-N 0 0 421.448 3.351 50 0 HGAARN CN(C(=O)CSc1nncn1C)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000045222037 523841415 /nfs/dbraw/zinc/84/14/15/523841415.db2.gz KDDADIVZYWSFEP-UHFFFAOYSA-N 0 0 400.891 3.455 50 0 HGAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)NC4CCCCC4)n3n2)cc1 ZINC000045939170 523854179 /nfs/dbraw/zinc/85/41/79/523854179.db2.gz RGVDNKITEKERCV-UHFFFAOYSA-N 0 0 411.531 3.188 50 0 HGAARN CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)cc1 ZINC000032808864 523885234 /nfs/dbraw/zinc/88/52/34/523885234.db2.gz IKLHXZLTDLYHQB-UHFFFAOYSA-N 0 0 423.538 3.252 50 0 HGAARN COC(=O)[C@H](CCSC)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000041154630 523899853 /nfs/dbraw/zinc/89/98/53/523899853.db2.gz BPBADXNUTPKJMG-AWEZNQCLSA-N 0 0 411.911 3.124 50 0 HGAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1OC ZINC000019819294 523910335 /nfs/dbraw/zinc/91/03/35/523910335.db2.gz JXEAXFPFVCQWJC-UHFFFAOYSA-N 0 0 417.465 3.483 50 0 HGAARN CCc1ccc(CN(C)C(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC000029632059 523919227 /nfs/dbraw/zinc/91/92/27/523919227.db2.gz SZDOTCLKKJECAF-UHFFFAOYSA-N 0 0 409.578 3.251 50 0 HGAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000030685334 523937893 /nfs/dbraw/zinc/93/78/93/523937893.db2.gz DWORVEBVEJOMAI-FQEVSTJZSA-N 0 0 415.921 3.078 50 0 HGAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2cccs2)CC1 ZINC000030685034 523938415 /nfs/dbraw/zinc/93/84/15/523938415.db2.gz CIVRXEDPUGTOIA-IBGZPJMESA-N 0 0 406.935 3.393 50 0 HGAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 ZINC000030684989 523938587 /nfs/dbraw/zinc/93/85/87/523938587.db2.gz QXVDLINQNGIVJH-YOEHRIQHSA-N 0 0 419.736 3.282 50 0 HGAARN COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000032675734 523967444 /nfs/dbraw/zinc/96/74/44/523967444.db2.gz OSFBFZMWIATCFN-HNNXBMFYSA-N 0 0 406.404 3.426 50 0 HGAARN COc1ccc(CCNC(=O)c2cccc(-n3cnc4cccnc43)c2)cc1OC ZINC000032931840 523970345 /nfs/dbraw/zinc/97/03/45/523970345.db2.gz NVPHIQNDOVVQPE-UHFFFAOYSA-N 0 0 402.454 3.410 50 0 biogenic HGAARN COc1ccc(CN(C(=O)N2CCc3ccccc32)S(=O)(=O)c2cccnc2)cc1 ZINC000032642664 523989831 /nfs/dbraw/zinc/98/98/31/523989831.db2.gz BBLPQFJHOHFGBU-UHFFFAOYSA-N 0 0 423.494 3.464 50 0 HGAARN COc1ccc(CN(C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC(F)F ZINC000025482218 524004932 /nfs/dbraw/zinc/00/49/32/524004932.db2.gz LGKLEGUQSVOXJW-UHFFFAOYSA-N 0 0 411.449 3.187 50 0 HGAARN CNC(=O)C1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000032857875 524049320 /nfs/dbraw/zinc/04/93/20/524049320.db2.gz CSNUFYCTJLIEKA-UHFFFAOYSA-N 0 0 408.527 3.258 50 0 HGAARN COCCOc1ccc(S(=O)(=O)NCCCc2nc3ccccc3s2)cc1 ZINC000032804290 524051078 /nfs/dbraw/zinc/05/10/78/524051078.db2.gz LREBDVAHVFFXCY-UHFFFAOYSA-N 0 0 406.529 3.233 50 0 HGAARN COc1ccc(CNC(=O)N(Cc2ccccc2)S(=O)(=O)c2cccnc2)cc1 ZINC000032642677 524057257 /nfs/dbraw/zinc/05/72/57/524057257.db2.gz AKMKWQASELTZBL-UHFFFAOYSA-N 0 0 411.483 3.191 50 0 HGAARN COc1ccc(COC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)cc1F ZINC000032745489 524111748 /nfs/dbraw/zinc/11/17/48/524111748.db2.gz RSCKMVKCJCOSQE-AWEZNQCLSA-N 0 0 410.488 3.471 50 0 HGAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2CC(N)=O)c1 ZINC000032741927 524126335 /nfs/dbraw/zinc/12/63/35/524126335.db2.gz FNTOCFSJCUFXPS-UHFFFAOYSA-N 0 0 409.515 3.086 50 0 HGAARN Cc1ccc(C)c(OCCCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 ZINC000032863428 524174583 /nfs/dbraw/zinc/17/45/83/524174583.db2.gz ORXFIWRYXHCFBL-UHFFFAOYSA-N 0 0 422.572 3.281 50 0 HGAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)[C@@H]1C ZINC000032922165 524397837 /nfs/dbraw/zinc/39/78/37/524397837.db2.gz UKDPJAXYOUAWPR-NFAWXSAZSA-N 0 0 424.423 3.384 50 0 HGAARN COc1ccccc1CCNC(=O)[C@@H]1CCCN(c2ncnc3oc(C)c(C)c32)C1 ZINC000032960101 524417627 /nfs/dbraw/zinc/41/76/27/524417627.db2.gz GZEPGXVIJVCTTB-GOSISDBHSA-N 0 0 408.502 3.424 50 0 HGAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(NC(C)=O)cc2)cc1 ZINC000040486299 524469723 /nfs/dbraw/zinc/46/97/23/524469723.db2.gz MOXGKWJKEBNERW-FQEVSTJZSA-N 0 0 418.457 3.173 50 0 HGAARN Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccc(Cl)cc3Cl)nn2)n1 ZINC000019924254 524491222 /nfs/dbraw/zinc/49/12/22/524491222.db2.gz BUOVISURIPTEGP-UHFFFAOYSA-N 0 0 405.289 3.428 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)c(OC)c1 ZINC000032075067 524593033 /nfs/dbraw/zinc/59/30/33/524593033.db2.gz JLSPHVILSIHPQE-OAHLLOKOSA-N 0 0 424.505 3.120 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1NC(C)=O ZINC000045930004 524593163 /nfs/dbraw/zinc/59/31/63/524593163.db2.gz SGJSHEANCRODKK-GOSISDBHSA-N 0 0 409.486 3.073 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1 ZINC000019857798 524593665 /nfs/dbraw/zinc/59/36/65/524593665.db2.gz KHTZJFJXQXCZRH-QGZVFWFLSA-N 0 0 402.516 3.184 50 0 HGAARN COc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1S(=O)(=O)N(C)C ZINC000032856092 524629812 /nfs/dbraw/zinc/62/98/12/524629812.db2.gz ZULHDXLMQFOPRR-UHFFFAOYSA-N 0 0 417.462 3.194 50 0 HGAARN Cc1cccc(OCC(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)c1 ZINC000041078164 524716599 /nfs/dbraw/zinc/71/65/99/524716599.db2.gz NUEITKWZGIDGMB-UHFFFAOYSA-N 0 0 420.494 3.130 50 0 HGAARN C[C@@H]1CCc2[nH]c3c(cccc3C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2C1 ZINC000030681926 524719242 /nfs/dbraw/zinc/71/92/42/524719242.db2.gz HGHMLSLWBKXXNR-OAHLLOKOSA-N 0 0 422.529 3.277 50 0 HGAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2c3ccccc3nc(C)c2=O)CC1 ZINC000032974588 524732838 /nfs/dbraw/zinc/73/28/38/524732838.db2.gz XCXLTVYEQHHLMF-UHFFFAOYSA-N 0 0 410.905 3.016 50 0 HGAARN Cc1cc(COC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)on1 ZINC000032866063 524799644 /nfs/dbraw/zinc/79/96/44/524799644.db2.gz IZNHCPZOTDXZJT-UHFFFAOYSA-N 0 0 418.496 3.149 50 0 HGAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1 ZINC000044959589 524833303 /nfs/dbraw/zinc/83/33/03/524833303.db2.gz MCAROFZOOSZDKU-GOSISDBHSA-N 0 0 410.514 3.489 50 0 HGAARN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)cnn32)c1 ZINC000032090536 524860935 /nfs/dbraw/zinc/86/09/35/524860935.db2.gz OWLJLWRSRRCIHY-KRWDZBQOSA-N 0 0 410.405 3.228 50 0 HGAARN COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(S(=O)(=O)N3CCCC3)o2)c1 ZINC000032932820 524914778 /nfs/dbraw/zinc/91/47/78/524914778.db2.gz MLWDTIGOUAYDFE-LJQANCHMSA-N 0 0 420.531 3.418 50 0 HGAARN Cc1cccc2c(=O)n(CCC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)cnc12 ZINC000036632675 524925014 /nfs/dbraw/zinc/92/50/14/524925014.db2.gz WTIKTQYFKCAVGJ-UHFFFAOYSA-N 0 0 413.481 3.408 50 0 HGAARN COc1ccc(OCC(=O)N2CCN(Cc3ccccc3Br)CC2)cc1 ZINC000019889399 524929726 /nfs/dbraw/zinc/92/97/26/524929726.db2.gz HBNMUHGQYMEZBV-UHFFFAOYSA-N 0 0 419.319 3.181 50 0 HGAARN C[C@H](NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 ZINC000025355488 524951711 /nfs/dbraw/zinc/95/17/11/524951711.db2.gz WGJQSZBWEHIIMX-LBPRGKRZSA-N 0 0 404.864 3.181 50 0 HGAARN COc1ccc(OCCN(C)c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 ZINC000032837533 524953616 /nfs/dbraw/zinc/95/36/16/524953616.db2.gz REJAJKHBLQRTLM-UHFFFAOYSA-N 0 0 421.497 3.231 50 0 HGAARN 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COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)/C=C/c2cccs2)C3)nn1 ZINC000012156696 558340550 /nfs/dbraw/zinc/34/05/50/558340550.db2.gz GEGTWACSKCAQQW-DRDHIDPGSA-N 0 0 411.458 3.486 50 0 HGAARN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4ccoc4C)C3)C2=O)c1 ZINC000012192970 558348367 /nfs/dbraw/zinc/34/83/67/558348367.db2.gz GXKSGRUQNPUEBI-JOCHJYFZSA-N 0 0 400.450 3.391 50 0 HGAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1CCCN1CCOCC1 ZINC000020219624 558348542 /nfs/dbraw/zinc/34/85/42/558348542.db2.gz CYDYYGALNNNRAW-NRFANRHFSA-N 0 0 422.456 3.200 50 0 HGAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCCN1CCOCC1 ZINC000020219644 558348592 /nfs/dbraw/zinc/34/85/92/558348592.db2.gz VHFXXZCXQLECSF-NRFANRHFSA-N 0 0 404.466 3.061 50 0 HGAARN COCCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000020227704 558349618 /nfs/dbraw/zinc/34/96/18/558349618.db2.gz FUSMVGHGQXNZTQ-QGZVFWFLSA-N 0 0 401.850 3.152 50 0 HGAARN COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)cc1 ZINC000020249344 558351883 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Cc1nonc1CNC(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000012244393 558361121 /nfs/dbraw/zinc/36/11/21/558361121.db2.gz PCWHWSKLDGPLQY-DEOSSOPVSA-N 0 0 418.497 3.333 50 0 HGAARN O=C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020431998 558362660 /nfs/dbraw/zinc/36/26/60/558362660.db2.gz JIHJJVZGCGNKOJ-UHFFFAOYSA-N 0 0 403.364 3.113 50 0 HGAARN CCSc1nnc(NC(=O)CSc2nnnn2-c2ccccc2Cl)s1 ZINC000012293258 558366202 /nfs/dbraw/zinc/36/62/02/558366202.db2.gz ZRIVYRQNQWDDSE-UHFFFAOYSA-N 0 0 413.941 3.010 50 0 HGAARN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000020465378 558373800 /nfs/dbraw/zinc/37/38/00/558373800.db2.gz ZPAGFZHBXZWZNM-UHFFFAOYSA-N 0 0 414.483 3.338 50 0 HGAARN CCn1ccnc1CN1CCC(Oc2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000012306752 558375679 /nfs/dbraw/zinc/37/56/79/558375679.db2.gz GSQITKBHVQXVOH-UHFFFAOYSA-N 0 0 419.529 3.271 50 0 HGAARN COC[C@@H]1CCCN(Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)C1 ZINC000012314442 558377765 /nfs/dbraw/zinc/37/77/65/558377765.db2.gz 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Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NC[C@@H]3CCCO3)c2=O)cc1 ZINC000033006757 558827828 /nfs/dbraw/zinc/82/78/28/558827828.db2.gz QZPFVJLGNDKRHD-SFHVURJKSA-N 0 0 423.538 3.141 50 0 HGAARN C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccccc4)c3)C(=O)[C@@H]21 ZINC000017976326 558829046 /nfs/dbraw/zinc/82/90/46/558829046.db2.gz RDPWKFNJRACZBB-NYSBEXSLSA-N 0 0 403.434 3.428 50 0 HGAARN COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 ZINC000017988318 558829317 /nfs/dbraw/zinc/82/93/17/558829317.db2.gz KQAVIIFIVIXWQK-PMACEKPBSA-N 0 0 419.433 3.191 50 0 HGAARN O=C([C@@H]1CCCO1)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1 ZINC000033010969 558830290 /nfs/dbraw/zinc/83/02/90/558830290.db2.gz XRGCBHDIZFJHGI-KRWDZBQOSA-N 0 0 412.490 3.325 50 0 HGAARN COc1ccc(OC)c(CNC(=O)c2ccc(NC(=O)c3nnc(C)s3)cc2)c1 ZINC000033011092 558830343 /nfs/dbraw/zinc/83/03/43/558830343.db2.gz CVUHUWBXGZGMTD-UHFFFAOYSA-N 0 0 412.471 3.046 50 0 HGAARN O=C1C[C@@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc2ccccc21 ZINC000018142707 558831979 /nfs/dbraw/zinc/83/19/79/558831979.db2.gz UQZFLGUCNIKTIT-JOCHJYFZSA-N 0 0 403.457 3.433 50 0 HGAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)N1CCOCC1 ZINC000033013215 558832853 /nfs/dbraw/zinc/83/28/53/558832853.db2.gz FALJFDIUKDLFBN-UHFFFAOYSA-N 0 0 409.442 3.040 50 0 HGAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ncccc4n4cccc34)C2)cc1 ZINC000033018691 558834604 /nfs/dbraw/zinc/83/46/04/558834604.db2.gz PKBIOMAFMLATNR-SFHVURJKSA-N 0 0 415.497 3.424 50 0 HGAARN CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)nc1C ZINC000018276768 558835348 /nfs/dbraw/zinc/83/53/48/558835348.db2.gz HCQMWEPNMLZREO-UHFFFAOYSA-N 0 0 403.489 3.144 50 0 HGAARN O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1ccccc1Cl ZINC000013524881 558836074 /nfs/dbraw/zinc/83/60/74/558836074.db2.gz ODTUHWIUORJCMF-UHFFFAOYSA-N 0 0 411.824 3.393 50 0 HGAARN COc1cc(CNc2nn[nH]n2)cc(Br)c1OCc1ccc(C)cc1 ZINC000013532874 558837057 /nfs/dbraw/zinc/83/70/57/558837057.db2.gz DRPIQLGAOAFCLG-UHFFFAOYSA-N 0 0 404.268 3.470 50 0 HGAARN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccsc2)C1 ZINC000019145011 558846557 /nfs/dbraw/zinc/84/65/57/558846557.db2.gz TVLKGWCDLHDENA-KRWDZBQOSA-N 0 0 421.588 3.025 50 0 HGAARN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccsc2)C1 ZINC000019145015 558846574 /nfs/dbraw/zinc/84/65/74/558846574.db2.gz TVLKGWCDLHDENA-QGZVFWFLSA-N 0 0 421.588 3.025 50 0 HGAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000033028193 558851635 /nfs/dbraw/zinc/85/16/35/558851635.db2.gz WATYEPGETIDDNZ-QGZVFWFLSA-N 0 0 401.532 3.209 50 0 HGAARN Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1 ZINC000013663883 558851918 /nfs/dbraw/zinc/85/19/18/558851918.db2.gz TUTOFVUTLPOGDZ-UHFFFAOYSA-N 0 0 408.527 3.104 50 0 HGAARN CC[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nnc2n1CCCCC2 ZINC000072318844 558852335 /nfs/dbraw/zinc/85/23/35/558852335.db2.gz WJNSBOFUHGTEGH-QZTJIDSGSA-N 0 0 411.506 3.003 50 0 HGAARN Cc1c2ccc3c(c2oc(=O)c1-c1ccccc1)CN([C@H]1CCS(=O)(=O)C1)CO3 ZINC000013693180 558856242 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O=C(CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1)NC1CCCC1 ZINC000038925536 559258408 /nfs/dbraw/zinc/25/84/08/559258408.db2.gz QUECCQUAARSZKI-UHFFFAOYSA-N 0 0 415.538 3.093 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CN(C[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000005156421 559258860 /nfs/dbraw/zinc/25/88/60/559258860.db2.gz LPMRTSCAVXZPJR-INIZCTEOSA-N 0 0 410.499 3.090 50 0 HGAARN COCC(=O)Nc1cc(CNC(=O)c2cccc3ccccc32)cc(C(=O)OC)c1 ZINC000011840643 559261516 /nfs/dbraw/zinc/26/15/16/559261516.db2.gz ANRPMMRYQPLSSU-UHFFFAOYSA-N 0 0 406.438 3.141 50 0 HGAARN CCOc1ccc([C@@H]2c3c(=O)n(C)c(=O)n(C)c3N=C3c4ccccc4C(=O)C32)cc1 ZINC000100744704 559261719 /nfs/dbraw/zinc/26/17/19/559261719.db2.gz QPCMKGGXRUVGDR-KRWDZBQOSA-N 0 0 415.449 3.032 50 0 biogenic HGAARN O=C(c1ccco1)N1CCN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1 ZINC000011902145 559265699 /nfs/dbraw/zinc/26/56/99/559265699.db2.gz FOERKTZULZUQHV-UHFFFAOYSA-N 0 0 424.457 3.393 50 0 HGAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc2ccccc2n1 ZINC000011919163 559268230 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408.498 3.185 50 0 HGAARN Cc1cccc(N2CCN3c4ccccc4CC4(C(=O)OC(C)(C)OC4=O)[C@H]3C2)c1C ZINC000248063476 559275036 /nfs/dbraw/zinc/27/50/36/559275036.db2.gz DPKHIZVWJFFYTG-OAQYLSRUSA-N 0 0 420.509 3.377 50 0 HGAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005163446 559275438 /nfs/dbraw/zinc/27/54/38/559275438.db2.gz HQVHWEUSPULWCW-NJGYHNCTSA-N 0 0 403.475 3.063 50 0 HGAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2ccc(O)cc2)c1C ZINC000064792311 559277015 /nfs/dbraw/zinc/27/70/15/559277015.db2.gz RBOFVFJFSPRCCY-UHFFFAOYSA-N 0 0 417.469 3.163 50 0 HGAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OCC(=O)c1ccc(Cl)s1 ZINC000024204484 559277813 /nfs/dbraw/zinc/27/78/13/559277813.db2.gz JOHHIPGJJIFIBM-UHFFFAOYSA-N 0 0 421.883 3.490 50 0 HGAARN Cc1ccccc1-c1nc2scc(CCNC(=O)c3ccc4c(c3)OCO4)n2n1 ZINC000005166546 559286778 /nfs/dbraw/zinc/28/67/78/559286778.db2.gz RKPLNOBSWFGSSZ-UHFFFAOYSA-N 0 0 406.467 3.467 50 0 HGAARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc2c(c1)OCO2 ZINC000005166768 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3.361 50 0 HGAARN COc1ccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1 ZINC000005388367 560580023 /nfs/dbraw/zinc/58/00/23/560580023.db2.gz ZBRAHCKNSCUBGR-UHFFFAOYSA-N 0 0 414.259 3.320 50 0 HGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002278448 560585300 /nfs/dbraw/zinc/58/53/00/560585300.db2.gz UPROUBUGGMPZSI-GTVARFKMSA-N 0 0 424.909 3.062 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1OC ZINC000005428762 560586168 /nfs/dbraw/zinc/58/61/68/560586168.db2.gz VZUNUSOCSJAGKA-ZDUSSCGKSA-N 0 0 407.488 3.029 50 0 HGAARN CCSc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1 ZINC000005450350 560588660 /nfs/dbraw/zinc/58/86/60/560588660.db2.gz WUVNMLKZSWXZKG-UHFFFAOYSA-N 0 0 414.603 3.420 50 0 HGAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)Nc1ccccc1)CCS3 ZINC000005484463 560596890 /nfs/dbraw/zinc/59/68/90/560596890.db2.gz DYVBRUXIVNDNHM-UHFFFAOYSA-N 0 0 406.467 3.104 50 0 HGAARN COc1ccc(OCCCC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000004242941 560603514 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COCCN(CCOC)C(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000005146449 560624368 /nfs/dbraw/zinc/62/43/68/560624368.db2.gz MMVYHFZPJAUKLD-UHFFFAOYSA-N 0 0 407.923 3.380 50 0 HGAARN COc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC ZINC000005616813 560631368 /nfs/dbraw/zinc/63/13/68/560631368.db2.gz UMCAZCUXEDJMPA-UHFFFAOYSA-N 0 0 404.488 3.049 50 0 HGAARN O=C(CSc1ccccn1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000005622229 560632680 /nfs/dbraw/zinc/63/26/80/560632680.db2.gz PHZUWMSONKYTCH-UHFFFAOYSA-N 0 0 411.936 3.250 50 0 HGAARN CCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(F)cc2)cc1OCC ZINC000005633332 560635085 /nfs/dbraw/zinc/63/50/85/560635085.db2.gz OFSNQWSRIXBXDY-UHFFFAOYSA-N 0 0 403.450 3.068 50 0 HGAARN COc1cccc(N2C[C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)OC2=O)c1 ZINC000008838789 560639706 /nfs/dbraw/zinc/63/97/06/560639706.db2.gz SDZFAWSHLDNQDU-LJQANCHMSA-N 0 0 412.467 3.152 50 0 HGAARN CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc21 ZINC000017247947 560704794 /nfs/dbraw/zinc/70/47/94/560704794.db2.gz 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CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)C1=O ZINC000101639344 560797466 /nfs/dbraw/zinc/79/74/66/560797466.db2.gz ZTCFYWVPFRBWAY-XMMPIXPASA-N 0 0 413.433 3.313 50 0 HGAARN Cc1nn(-c2ccccn2)c(N)c1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000101715468 560798620 /nfs/dbraw/zinc/79/86/20/560798620.db2.gz YTQOHIGVFSROOM-AWEZNQCLSA-N 0 0 415.375 3.224 50 0 HGAARN COc1ccccc1CNc1nn2c(nc(CNc3ccc(Cl)cc3)cc2=O)[nH]1 ZINC000101796656 560801677 /nfs/dbraw/zinc/80/16/77/560801677.db2.gz WFUMVFKWTIWHRL-UHFFFAOYSA-N 0 0 410.865 3.304 50 0 HGAARN CCc1ccccc1NCc1cc(=O)n2nc(NCc3ccccc3OC)[nH]c2n1 ZINC000101796670 560801692 /nfs/dbraw/zinc/80/16/92/560801692.db2.gz IISCGZQONXNFLK-UHFFFAOYSA-N 0 0 404.474 3.213 50 0 HGAARN COCCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(C)c(C)c4)nc-3c2c1 ZINC000101828017 560802610 /nfs/dbraw/zinc/80/26/10/560802610.db2.gz OKPXKEJSYUPZPV-UHFFFAOYSA-N 0 0 404.470 3.202 50 0 HGAARN Cc1cccc(-c2noc(Cn3ccn(Cc4ccc(Cl)cc4)c(=O)c3=O)n2)c1 ZINC000049407701 560805219 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50 0 HGAARN CN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000003309467 568877718 /nfs/dbraw/zinc/87/77/18/568877718.db2.gz LNXDSISMNMAOHG-UHFFFAOYSA-N 0 0 416.886 3.491 50 0 aggregator HGAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccccn2)c2ccccc21 ZINC000263584765 568877980 /nfs/dbraw/zinc/87/79/80/568877980.db2.gz AIENBKQCRLVIDH-IBGZPJMESA-N 0 0 408.502 3.326 50 0 biogenic HGAARN CCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N2C1=S ZINC000004026823 568878113 /nfs/dbraw/zinc/87/81/13/568878113.db2.gz XNVVWACSNFHGPK-OXJNMPFZSA-N 0 0 405.479 3.360 50 0 biogenic HGAARN CC(C)CC(=O)N[C@@H](N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000263585766 568878939 /nfs/dbraw/zinc/87/89/39/568878939.db2.gz MFGUWGFMUWXDMB-AHIWAGSCSA-N 0 0 420.768 3.126 50 0 biogenic HGAARN COc1ccccc1OCC(=O)OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000003315300 568879116 /nfs/dbraw/zinc/87/91/16/568879116.db2.gz PFTUAYODHDJOQD-QGZVFWFLSA-N 0 0 401.459 3.097 50 0 HGAARN CCOc1ccc(CCNC(=O)[C@H]2CCC(=O)N2C2CCCCC2)cc1OCC ZINC000004034773 568879483 /nfs/dbraw/zinc/87/94/83/568879483.db2.gz VMLQZKGLSNZLNN-LJQANCHMSA-N 0 0 402.535 3.466 50 0 HGAARN COC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000004038581 568879893 /nfs/dbraw/zinc/87/98/93/568879893.db2.gz ALJFCPFADIJEMB-ZDUSSCGKSA-N 0 0 403.456 3.063 50 0 HGAARN COC(=O)C1CCN(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)CC1 ZINC000003323901 568880933 /nfs/dbraw/zinc/88/09/33/568880933.db2.gz BXQIJQATUHPMEQ-UHFFFAOYSA-N 0 0 409.558 3.167 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000003330504 568881837 /nfs/dbraw/zinc/88/18/37/568881837.db2.gz GYMJIVNCRVESFM-UHFFFAOYSA-N 0 0 404.822 3.444 50 0 HGAARN CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000504499885 568882860 /nfs/dbraw/zinc/88/28/60/568882860.db2.gz XFEVYGOFGKAHNI-OFAXGOBFSA-N 0 0 402.535 3.390 50 0 biogenic HGAARN COc1ccc(-c2cc(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1OC ZINC000012639028 568883859 /nfs/dbraw/zinc/88/38/59/568883859.db2.gz WWOFUSRKHMVZPG-MRXNPFEDSA-N 0 0 421.453 3.028 50 0 HGAARN CCOC(=O)C1=C(Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)NC(=O)N[C@H]1C ZINC000078447603 568884523 /nfs/dbraw/zinc/88/45/23/568884523.db2.gz GFBRJSCDXVXCFM-VIFPVBQESA-N 0 0 424.288 3.079 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cccc(OC)c2)cc1 ZINC000015391168 568884979 /nfs/dbraw/zinc/88/49/79/568884979.db2.gz UFTUEYORDAWOGS-QGZVFWFLSA-N 0 0 418.515 3.276 50 0 HGAARN COC(=O)c1sc(NC(=O)CCN2CCc3ccccc32)c(C(=O)OC)c1C ZINC000012641997 568885386 /nfs/dbraw/zinc/88/53/86/568885386.db2.gz XEUCNAOCRNTABJ-UHFFFAOYSA-N 0 0 402.472 3.021 50 0 HGAARN O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccccc1Br ZINC000003353765 568886189 /nfs/dbraw/zinc/88/61/89/568886189.db2.gz CFKICJYBXMPPFL-UHFFFAOYSA-N 0 0 402.200 3.351 50 0 HGAARN O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccccc1C(=O)c1ccccc1 ZINC000003355476 568886669 /nfs/dbraw/zinc/88/66/69/568886669.db2.gz MOTZPSGWSSLNML-NRFANRHFSA-N 0 0 417.417 3.239 50 0 HGAARN CC(=O)Nc1ccc2c(CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)cc(=O)oc2c1 ZINC000003357423 568887136 /nfs/dbraw/zinc/88/71/36/568887136.db2.gz CZKVPCQWZXCTGM-HSZRJFAPSA-N 0 0 419.437 3.027 50 0 HGAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000003360938 568888198 /nfs/dbraw/zinc/88/81/98/568888198.db2.gz LJPIQKRZXZFRTB-UHFFFAOYSA-N 0 0 408.376 3.234 50 0 HGAARN COc1ccc(CCNC(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 ZINC000003364786 568888971 /nfs/dbraw/zinc/88/89/71/568888971.db2.gz FHPODWOOVMYVPH-UHFFFAOYSA-N 0 0 407.470 3.013 50 0 HGAARN CCOc1ccccc1Nc1nnc(SCC(=O)NC(=O)c2cccn2C)s1 ZINC000003369537 568889734 /nfs/dbraw/zinc/88/97/34/568889734.db2.gz CCRNZRXNXMVZOU-UHFFFAOYSA-N 0 0 417.516 3.068 50 0 aggregator HGAARN CCOC(=O)c1sc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C ZINC000003371234 568890686 /nfs/dbraw/zinc/89/06/86/568890686.db2.gz HFBYXDXEWIGCMK-UHFFFAOYSA-N 0 0 400.456 3.248 50 0 HGAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000003373374 568891145 /nfs/dbraw/zinc/89/11/45/568891145.db2.gz GOUJFYXUTVJURZ-HUUCEWRRSA-N 0 0 424.453 3.022 50 0 HGAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000003375919 568891295 /nfs/dbraw/zinc/89/12/95/568891295.db2.gz GRXPDQSVKCWPJB-UHFFFAOYSA-N 0 0 413.499 3.096 50 0 HGAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O ZINC000003407980 568897392 /nfs/dbraw/zinc/89/73/92/568897392.db2.gz NDBFOMOIJSKSJM-UPCLLVRISA-N 0 0 419.481 3.357 50 0 HGAARN COC(=O)c1cc(NC(=O)CSc2nc3ccccc3o2)cc(C(=O)OC)c1 ZINC000003411269 568898119 /nfs/dbraw/zinc/89/81/19/568898119.db2.gz VERUACXEPQHRCC-UHFFFAOYSA-N 0 0 400.412 3.132 50 0 HGAARN COc1ccc(CCN2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1OC ZINC000003413777 568898618 /nfs/dbraw/zinc/89/86/18/568898618.db2.gz ONCHBCXBLZWPMI-PZJWPPBQSA-N 0 0 422.525 3.289 50 0 HGAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCCOC(C)C)cc1 ZINC000003414423 568898899 /nfs/dbraw/zinc/89/88/99/568898899.db2.gz ZNTKOYRUHYJDPJ-UHFFFAOYSA-N 0 0 420.531 3.065 50 0 HGAARN COc1cc(C(=O)O[C@H](C)C(N)=O)cc(Br)c1OCc1ccccc1 ZINC000003433371 568902282 /nfs/dbraw/zinc/90/22/82/568902282.db2.gz QWOJBSPBSJFTSI-LLVKDONJSA-N 0 0 408.248 3.067 50 0 HGAARN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000003435275 568902451 /nfs/dbraw/zinc/90/24/51/568902451.db2.gz YUXMFPLOBSCQRZ-LJQANCHMSA-N 0 0 414.527 3.287 50 0 HGAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)C1=O ZINC000003453973 568906150 /nfs/dbraw/zinc/90/61/50/568906150.db2.gz AGEXLUAZHVHRBN-CYFREDJKSA-N 0 0 423.513 3.324 50 0 HGAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000003461054 568906975 /nfs/dbraw/zinc/90/69/75/568906975.db2.gz GLIJZFYFYBSWTG-HXUWFJFHSA-N 0 0 420.296 3.385 50 0 HGAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C1=O ZINC000003464412 568907165 /nfs/dbraw/zinc/90/71/65/568907165.db2.gz FOYFNIYDMHUIAD-OAQYLSRUSA-N 0 0 413.861 3.338 50 0 HGAARN Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2)n1 ZINC000003469114 568907448 /nfs/dbraw/zinc/90/74/48/568907448.db2.gz JSTNRDBPISXMCQ-HNNXBMFYSA-N 0 0 407.426 3.402 50 0 HGAARN Cc1ccc2c(CC(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)coc2c1 ZINC000030999296 568908430 /nfs/dbraw/zinc/90/84/30/568908430.db2.gz PGWXHQAUMXMVCD-UHFFFAOYSA-N 0 0 418.540 3.315 50 0 HGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ccc(C(=O)OC)o1 ZINC000003480493 568908461 /nfs/dbraw/zinc/90/84/61/568908461.db2.gz GTWSCLQFFKZSNB-UHFFFAOYSA-N 0 0 423.516 3.156 50 0 HGAARN C[C@@H]1CN(C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000031028501 568909110 /nfs/dbraw/zinc/90/91/10/568909110.db2.gz SBCPCLSIMQJXIT-GASCZTMLSA-N 0 0 401.473 3.435 50 0 HGAARN CCn1c2ccc(C(=O)Nc3cc(C(=O)OC)c(F)cc3F)cc2nc(C)c1=O ZINC000031028551 568909219 /nfs/dbraw/zinc/90/92/19/568909219.db2.gz OGZWLAZAWGOFLJ-UHFFFAOYSA-N 0 0 401.369 3.042 50 0 HGAARN Cc1cccc(-c2noc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)n2)c1 ZINC000263615061 568910052 /nfs/dbraw/zinc/91/00/52/568910052.db2.gz AJOVFAGDBDRGFY-UHFFFAOYSA-N 0 0 413.437 3.062 50 0 HGAARN O=C1c2c(-c3nc(-c4ccsc4)no3)nnn2CCN1Cc1ccccc1Cl ZINC000263615214 568910357 /nfs/dbraw/zinc/91/03/57/568910357.db2.gz BFJPGMCVOPMXJS-UHFFFAOYSA-N 0 0 412.862 3.366 50 0 HGAARN COc1ccccc1NC(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 ZINC000263615682 568910470 /nfs/dbraw/zinc/91/04/70/568910470.db2.gz DQEHXAQADZVVJM-MRXNPFEDSA-N 0 0 405.502 3.472 50 0 HGAARN CCC(CC)c1nc(CN2C3=C(C(=O)OC3)[C@H](c3ccccc3OC)NC2=O)no1 ZINC000263615717 568910508 /nfs/dbraw/zinc/91/05/08/568910508.db2.gz DUGPYSLMABZGSP-SFHVURJKSA-N 0 0 412.446 3.059 50 0 HGAARN CCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)nnc1-c1ccncc1 ZINC000003501592 568910561 /nfs/dbraw/zinc/91/05/61/568910561.db2.gz GRTXFPHHCREVNM-UHFFFAOYSA-N 0 0 410.503 3.417 50 0 HGAARN CCOCCCn1c(SCC(=O)NCC(C)C)nc2sc(C)c(C)c2c1=O ZINC000003507798 568911033 /nfs/dbraw/zinc/91/10/33/568911033.db2.gz SOBONKOIHHVBIZ-UHFFFAOYSA-N 0 0 411.593 3.366 50 0 HGAARN CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4cccc(OC)c4)ccn3n2)cc1 ZINC000263616785 568911123 /nfs/dbraw/zinc/91/11/23/568911123.db2.gz KNDPAQNYYQQJLQ-JOCHJYFZSA-N 0 0 405.454 3.304 50 0 HGAARN O=C1OCC2=C1[C@@H](c1ccccc1)NC(=O)N2Cc1noc(CC2CCCCC2)n1 ZINC000263617053 568911275 /nfs/dbraw/zinc/91/12/75/568911275.db2.gz LWBSZNZUJUFVNS-HXUWFJFHSA-N 0 0 408.458 3.270 50 0 HGAARN O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1Cc1ccc(Cl)cc1 ZINC000263618609 568912036 /nfs/dbraw/zinc/91/20/36/568912036.db2.gz UPUJCCQICCOLDN-UHFFFAOYSA-N 0 0 406.833 3.305 50 0 HGAARN CCOc1ccc2oc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)c(C)c2c1 ZINC000003520393 568912052 /nfs/dbraw/zinc/91/20/52/568912052.db2.gz NFCVEOWLVJMLJK-UHFFFAOYSA-N 0 0 411.410 3.342 50 0 HGAARN CCCCCCn1c(S[C@H](C)C(=O)NC(=O)NCC)nc2ccccc2c1=O ZINC000003521661 568912356 /nfs/dbraw/zinc/91/23/56/568912356.db2.gz BOIVJKQVSVOGTI-CQSZACIVSA-N 0 0 404.536 3.303 50 0 HGAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nccs3)CC2)c1C ZINC000003532831 568913248 /nfs/dbraw/zinc/91/32/48/568913248.db2.gz PKTRYDZNACFWSR-UHFFFAOYSA-N 0 0 407.561 3.416 50 0 HGAARN COc1cccc(CN2C[C@@H](OCC3CC3)CN(C(=O)c3cccs3)CC2=O)c1 ZINC000014541921 568915743 /nfs/dbraw/zinc/91/57/43/568915743.db2.gz NEROMCYNKAQWCY-LJQANCHMSA-N 0 0 414.527 3.037 50 0 HGAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000012695597 568916179 /nfs/dbraw/zinc/91/61/79/568916179.db2.gz GBQQKALOIJTGME-UHFFFAOYSA-N 0 0 422.359 3.468 50 0 HGAARN C[C@@H](NC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004148170 568916698 /nfs/dbraw/zinc/91/66/98/568916698.db2.gz DYAJEHUMBSZNBD-ZHHULCEESA-N 0 0 415.559 3.253 50 0 HGAARN C[C@@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC(=O)NC1CC1 ZINC000012719892 568918198 /nfs/dbraw/zinc/91/81/98/568918198.db2.gz OKJPOVCDOBYRHO-CYBMUJFWSA-N 0 0 416.861 3.453 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O ZINC000003593761 568918339 /nfs/dbraw/zinc/91/83/39/568918339.db2.gz VKYNAEVNVWWEHS-IBGZPJMESA-N 0 0 422.268 3.408 50 0 HGAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(C)=O)C1=O ZINC000003595287 568918522 /nfs/dbraw/zinc/91/85/22/568918522.db2.gz AOKFQNXMQWZWSF-OAQYLSRUSA-N 0 0 413.861 3.338 50 0 HGAARN O=C(Cc1cccs1)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000004165574 568918702 /nfs/dbraw/zinc/91/87/02/568918702.db2.gz DHALSZMEQBVMLF-AWEZNQCLSA-N 0 0 412.330 3.397 50 0 HGAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccc(C)c(Cl)c2)c3=O)cc1 ZINC000004165805 568918945 /nfs/dbraw/zinc/91/89/45/568918945.db2.gz HYGDAIHINUCGEZ-UHFFFAOYSA-N 0 0 407.861 3.491 50 0 HGAARN CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000004166121 568919030 /nfs/dbraw/zinc/91/90/30/568919030.db2.gz ASPNWWVDGABNSW-UHFFFAOYSA-N 0 0 417.469 3.236 50 0 HGAARN Cc1cccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)c1 ZINC000004166427 568919107 /nfs/dbraw/zinc/91/91/07/568919107.db2.gz ISGYFJJHRWYQCZ-UHFFFAOYSA-N 0 0 408.462 3.448 50 0 HGAARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000004519369 568919766 /nfs/dbraw/zinc/91/97/66/568919766.db2.gz FCSWLGBVBTVQFK-INIZCTEOSA-N 0 0 405.453 3.015 50 0 HGAARN CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)Nc1ccc(F)cc1 ZINC000031242544 568920461 /nfs/dbraw/zinc/92/04/61/568920461.db2.gz IRBJTKGSXLJLQJ-UHFFFAOYSA-N 0 0 419.305 3.477 50 0 HGAARN Cc1nn(CCC(=O)Nc2cccc(C)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004530 568922341 /nfs/dbraw/zinc/92/23/41/568922341.db2.gz CLFANUOATYTNNX-UHFFFAOYSA-N 0 0 418.563 3.258 50 0 HGAARN C[C@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388643 568923349 /nfs/dbraw/zinc/92/33/49/568923349.db2.gz IERKEXQSHCCPAG-KRWDZBQOSA-N 0 0 401.406 3.010 50 0 HGAARN COc1cc(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)cc2c1O[C@H](C)C2 ZINC000031323249 568923406 /nfs/dbraw/zinc/92/34/06/568923406.db2.gz RSTPRTVTZUDINP-CQSZACIVSA-N 0 0 412.442 3.141 50 0 HGAARN COc1ccc(C(=O)N(C)Cc2ccc(SC)cc2)cc1S(=O)(=O)NC1CC1 ZINC000012734356 568923548 /nfs/dbraw/zinc/92/35/48/568923548.db2.gz GOEWEUICOGFVTL-UHFFFAOYSA-N 0 0 420.556 3.130 50 0 HGAARN Cc1cc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)ccc1Br ZINC000003660502 568923621 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Cc1cccc(OCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1 ZINC000004122761 568944961 /nfs/dbraw/zinc/94/49/61/568944961.db2.gz JPQGWYNTSQEDDM-UHFFFAOYSA-N 0 0 400.347 3.418 50 0 HGAARN CCc1nnc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2CC)s1 ZINC000004130281 568945428 /nfs/dbraw/zinc/94/54/28/568945428.db2.gz FFJBBUYURKEHAE-UHFFFAOYSA-N 0 0 409.562 3.239 50 0 HGAARN CCCOc1ccc(N2C(=O)C[C@@H](N(C)CCOc3ccc(OC)cc3)C2=O)cc1 ZINC000012761401 568945774 /nfs/dbraw/zinc/94/57/74/568945774.db2.gz ANYZULVYHULYRC-OAQYLSRUSA-N 0 0 412.486 3.127 50 0 HGAARN Cn1c(=O)c2c(SCc3cccc(F)c3)nc(-c3cccs3)nc2n(C)c1=O ZINC000004139186 568946012 /nfs/dbraw/zinc/94/60/12/568946012.db2.gz HTCAZSKMZZATIT-UHFFFAOYSA-N 0 0 414.487 3.187 50 0 HGAARN Cn1cc(CNC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cn1 ZINC000084318522 568946231 /nfs/dbraw/zinc/94/62/31/568946231.db2.gz LFEFMDAQRXVPDI-UHFFFAOYSA-N 0 0 406.273 3.259 50 0 HGAARN O=C(CCc1ccccc1F)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000012765530 568948075 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3.355 50 0 HGAARN CCOC(=O)C1(c2ccccc2)CCN(CCS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000054956622 569369239 /nfs/dbraw/zinc/36/92/39/569369239.db2.gz TYKYHZOXXGNRAZ-UHFFFAOYSA-N 0 0 415.555 3.366 50 0 HGAARN COCCNC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CCCC2 ZINC000002300083 569369964 /nfs/dbraw/zinc/36/99/64/569369964.db2.gz INJDGJJTVBUTPB-UHFFFAOYSA-N 0 0 406.479 3.160 50 0 HGAARN COc1ccc2cc(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)c(Cl)nc2c1 ZINC000027556442 569372777 /nfs/dbraw/zinc/37/27/77/569372777.db2.gz BHJNBLSUNBLYJW-LBPRGKRZSA-N 0 0 417.918 3.495 50 0 HGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000002314803 569373026 /nfs/dbraw/zinc/37/30/26/569373026.db2.gz ZSUUDOCVKDRNIP-PHJXOXRPSA-N 0 0 418.518 3.107 50 0 HGAARN NC(=O)COc1ccccc1C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000027589189 569375653 /nfs/dbraw/zinc/37/56/53/569375653.db2.gz LQWRVZVKRAWXMX-UHFFFAOYSA-N 0 0 415.493 3.043 50 0 HGAARN COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)ccc1O ZINC000002341357 569376390 /nfs/dbraw/zinc/37/63/90/569376390.db2.gz DEPXYMMWCYNJHD-GOSISDBHSA-N 0 0 415.829 3.007 50 0 HGAARN C[C@H](Sc1nc(-c2ccccc2)nc2c1COC(C)(C)C2)C(=O)N1CCOCC1 ZINC000002349102 569380502 /nfs/dbraw/zinc/38/05/02/569380502.db2.gz LDIMZXXJCUAZKH-HNNXBMFYSA-N 0 0 413.543 3.334 50 0 HGAARN CCCCCOc1ccc(C(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc1 ZINC000253471258 569381162 /nfs/dbraw/zinc/38/11/62/569381162.db2.gz BQYAWIRJQFSICR-UHFFFAOYSA-N 0 0 417.531 3.187 50 0 HGAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000253471881 569381204 /nfs/dbraw/zinc/38/12/04/569381204.db2.gz GKBWTCGDZAQBLJ-IBGZPJMESA-N 0 0 404.875 3.294 50 0 HGAARN NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000553822874 569381966 /nfs/dbraw/zinc/38/19/66/569381966.db2.gz UELAMPZCRAIDQI-GFCCVEGCSA-N 0 0 421.569 3.166 50 0 HGAARN COC(=O)C[C@H](c1ccc(OC)c2ccccc21)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623770 569383307 /nfs/dbraw/zinc/38/33/07/569383307.db2.gz KMQDLEFVWDJKDY-OAHLLOKOSA-N 0 0 411.410 3.136 50 0 biogenic HGAARN O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000057452435 569383558 /nfs/dbraw/zinc/38/35/58/569383558.db2.gz DNDCCZKMZKDVIL-KRXBUXKQSA-N 0 0 419.859 3.414 50 0 HGAARN CC(C)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000252497299 569387668 /nfs/dbraw/zinc/38/76/68/569387668.db2.gz QDEQAGWSBAOJFI-ICSRJNTNSA-N 0 0 419.485 3.486 50 0 HGAARN Cc1cc(O)cc(=O)n1CCCC(=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253414137 569389040 /nfs/dbraw/zinc/38/90/40/569389040.db2.gz WOXKFMRHQLPGDS-QHCPKHFHSA-N 0 0 416.481 3.425 50 0 HGAARN COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000002418908 569397665 /nfs/dbraw/zinc/39/76/65/569397665.db2.gz MVGUOZHOIAPPOI-QZTJIDSGSA-N 0 0 403.442 3.086 50 0 HGAARN CCCCSc1nc2sc3c(c2c(N(CCO)CCO)n1)CC(C)(C)OC3 ZINC000002442216 569400718 /nfs/dbraw/zinc/40/07/18/569400718.db2.gz MODKDIZQOBMNNK-UHFFFAOYSA-N 0 0 411.593 3.226 50 0 HGAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCN(C)CC3)o2)cc1 ZINC000012419193 569401056 /nfs/dbraw/zinc/40/10/56/569401056.db2.gz SEXPEYBAEMJIAI-UHFFFAOYSA-N 0 0 415.490 3.374 50 0 HGAARN Cc1nc(NC(=O)CNC(=O)/C=C/c2ccccc2)sc1-c1nccn1C(F)F ZINC000012535894 569401759 /nfs/dbraw/zinc/40/17/59/569401759.db2.gz OKXLBKOAAGOGBR-BQYQJAHWSA-N 0 0 417.441 3.478 50 0 HGAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007942648 569401953 /nfs/dbraw/zinc/40/19/53/569401953.db2.gz OQEJKGLRQHFHIR-AWEZNQCLSA-N 0 0 404.495 3.482 50 0 HGAARN COc1ccc([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(OC)c1 ZINC000012660522 569402608 /nfs/dbraw/zinc/40/26/08/569402608.db2.gz YLFOXWHTQSYROJ-IAGOWNOFSA-N 0 0 401.459 3.094 50 0 biogenic HGAARN COc1cc(/C=C/C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc(OC)c1OC ZINC000012910445 569404925 /nfs/dbraw/zinc/40/49/25/569404925.db2.gz JIIPXXAXYQGMQS-RMKNXTFCSA-N 0 0 424.453 3.013 50 0 HGAARN COc1ccc(CCNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 ZINC000012986272 569405967 /nfs/dbraw/zinc/40/59/67/569405967.db2.gz DXXNXMANOFCCBQ-UHFFFAOYSA-N 0 0 421.423 3.060 50 0 HGAARN COC(=O)CN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C ZINC000013116119 569409353 /nfs/dbraw/zinc/40/93/53/569409353.db2.gz DOOWTBWLAJPLCO-GOSISDBHSA-N 0 0 412.446 3.130 50 0 HGAARN COC(=O)CN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C ZINC000013116118 569409363 /nfs/dbraw/zinc/40/93/63/569409363.db2.gz DOOWTBWLAJPLCO-SFHVURJKSA-N 0 0 412.446 3.130 50 0 HGAARN O=C(/C=C/c1c(F)cccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013119840 569409587 /nfs/dbraw/zinc/40/95/87/569409587.db2.gz ZKPDGBYNPYUUOO-BQYQJAHWSA-N 0 0 424.881 3.152 50 0 HGAARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2OC)=C(C)Nc2nnnn21 ZINC000013125216 569409603 /nfs/dbraw/zinc/40/96/03/569409603.db2.gz XRADAPAZKRUCTG-LJQANCHMSA-N 0 0 406.446 3.008 50 0 HGAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccc(Br)o1 ZINC000002456779 569410739 /nfs/dbraw/zinc/41/07/39/569410739.db2.gz MPZIYRZXJBWBIQ-VWLOTQADSA-N 0 0 424.251 3.382 50 0 HGAARN CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000013352265 569411225 /nfs/dbraw/zinc/41/12/25/569411225.db2.gz NYFYNXFHZMXYPT-UHFFFAOYSA-N 0 0 407.514 3.246 50 0 HGAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCc4ccccc4)C3)n2)cc1 ZINC000013367227 569412382 /nfs/dbraw/zinc/41/23/82/569412382.db2.gz HZCSAUVWFYOYKZ-IBGZPJMESA-N 0 0 406.486 3.321 50 0 biogenic HGAARN Cn1cc([C@@H]2N(C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)CC2(C)C)cn1 ZINC000328591848 569415108 /nfs/dbraw/zinc/41/51/08/569415108.db2.gz URVAMUGCNCCGOL-INIZCTEOSA-N 0 0 404.396 3.243 50 0 HGAARN O=C(c1snnc1C1CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000328593523 569415478 /nfs/dbraw/zinc/41/54/78/569415478.db2.gz DQXRPDTWHGXYPA-UHFFFAOYSA-N 0 0 417.844 3.445 50 0 HGAARN O=S(=O)(c1ccc(F)cc1)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000328593953 569415670 /nfs/dbraw/zinc/41/56/70/569415670.db2.gz DKQJXXKKZOKYJG-AWEZNQCLSA-N 0 0 415.284 3.358 50 0 HGAARN COc1cc(CCC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000078698688 569417493 /nfs/dbraw/zinc/41/74/93/569417493.db2.gz UXFJCUQDIYJQAM-SFHVURJKSA-N 0 0 403.475 3.446 50 0 HGAARN CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1ncc(Br)cn1 ZINC000078721798 569419999 /nfs/dbraw/zinc/41/99/99/569419999.db2.gz PYROHQKNADZOMF-NSHDSACASA-N 0 0 406.202 3.134 50 0 HGAARN CC(=O)NCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)s1 ZINC000078877534 569421213 /nfs/dbraw/zinc/42/12/13/569421213.db2.gz PRDUFIOQCZGXDB-GOEBONIOSA-N 0 0 409.552 3.198 50 0 HGAARN CN(CCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)c1ccccc1 ZINC000078878013 569421340 /nfs/dbraw/zinc/42/13/40/569421340.db2.gz OCOGFBCIQGVOLP-IBGZPJMESA-N 0 0 405.539 3.045 50 0 HGAARN COc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cc1OC ZINC000078881854 569421451 /nfs/dbraw/zinc/42/14/51/569421451.db2.gz DGAGCTHELARXRH-CQSZACIVSA-N 0 0 405.292 3.475 50 0 HGAARN CCS(=O)(=O)Nc1ccc(NC(=O)NCc2cnc(C)n2-c2ccccc2)cc1 ZINC000078953509 569422072 /nfs/dbraw/zinc/42/20/72/569422072.db2.gz AFYDQUTXAINUKY-UHFFFAOYSA-N 0 0 413.503 3.264 50 0 HGAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc3c(c2)COCO3)CC1 ZINC000078965362 569422135 /nfs/dbraw/zinc/42/21/35/569422135.db2.gz VIEIQJFEXXLJPC-UHFFFAOYSA-N 0 0 420.387 3.170 50 0 HGAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000078968569 569422287 /nfs/dbraw/zinc/42/22/87/569422287.db2.gz CVPFPNIYTQGBCZ-QFIPXVFZSA-N 0 0 424.888 3.246 50 0 HGAARN COC(=O)CC1(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CCCCC1 ZINC000078974618 569422551 /nfs/dbraw/zinc/42/25/51/569422551.db2.gz VGKSKQDPOYCUTQ-UHFFFAOYSA-N 0 0 424.453 3.072 50 0 HGAARN C[C@@H]1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)[C@H]1CNC(=O)OC(C)(C)C ZINC000078992203 569422975 /nfs/dbraw/zinc/42/29/75/569422975.db2.gz XJUZXZPWXCEBQE-CJNGLKHVSA-N 0 0 419.551 3.309 50 0 HGAARN C[C@H](Cc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000079023355 569424534 /nfs/dbraw/zinc/42/45/34/569424534.db2.gz ILPPILBAVASDKO-OAHLLOKOSA-N 0 0 419.547 3.373 50 0 HGAARN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c1 ZINC000079024639 569424753 /nfs/dbraw/zinc/42/47/53/569424753.db2.gz XDBYJKYWILJGEV-DJJJIMSYSA-N 0 0 406.479 3.061 50 0 HGAARN CC(=O)N1N=C(c2ccnn2C)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000079047358 569425320 /nfs/dbraw/zinc/42/53/20/569425320.db2.gz ZKWZPSVQMKYPIE-QGZVFWFLSA-N 0 0 411.849 3.091 50 0 HGAARN CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000079051591 569425540 /nfs/dbraw/zinc/42/55/40/569425540.db2.gz QPIVHZKZXYGHAS-YIQPMRTKSA-N 0 0 407.536 3.023 50 0 HGAARN COc1cc2[nH]c(CCCNC(=O)c3cn(-c4ccccc4)nn3)cc2c(OC)c1 ZINC000079057582 569426092 /nfs/dbraw/zinc/42/60/92/569426092.db2.gz KOGGQUUVSDWYMF-UHFFFAOYSA-N 0 0 405.458 3.128 50 0 HGAARN C[C@H](NCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)c1ccccc1Br ZINC000079108808 569427795 /nfs/dbraw/zinc/42/77/95/569427795.db2.gz HYNKILQJRBXKIG-GUYCJALGSA-N 0 0 412.353 3.030 50 0 HGAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2[nH]c1=O ZINC000079190156 569429183 /nfs/dbraw/zinc/42/91/83/569429183.db2.gz TZGXCSXIGQOZOY-YLJYHZDGSA-N 0 0 403.390 3.091 50 0 biogenic HGAARN CC(C)n1ncc2c1nc1c(sc(=O)n1CC(N)=O)c2-c1cccc(Cl)c1 ZINC000079480173 569431764 /nfs/dbraw/zinc/43/17/64/569431764.db2.gz UEDSIXQVGFEDCW-UHFFFAOYSA-N 0 0 401.879 3.194 50 0 HGAARN COc1ccc(CCc2nnc(NC(=O)c3cccc4c3ccn4C)[nH]2)cc1OC ZINC000079482776 569431816 /nfs/dbraw/zinc/43/18/16/569431816.db2.gz CNOMJFJZEZCVAS-UHFFFAOYSA-N 0 0 405.458 3.351 50 0 HGAARN CC(C)(C)c1csc(CCNC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)n1 ZINC000079486892 569432185 /nfs/dbraw/zinc/43/21/85/569432185.db2.gz XYGKYWPJAHAKTQ-ZDUSSCGKSA-N 0 0 407.971 3.459 50 0 HGAARN O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCc1nc(-c2ccccc2)cs1 ZINC000079495453 569432692 /nfs/dbraw/zinc/43/26/92/569432692.db2.gz DUCXXPOMWWVLLH-UHFFFAOYSA-N 0 0 411.527 3.178 50 0 HGAARN COc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2cccs2)cc1 ZINC000019897377 569433270 /nfs/dbraw/zinc/43/32/70/569433270.db2.gz FDWFCLXDGOREBF-UHFFFAOYSA-N 0 0 402.545 3.429 50 0 HGAARN O=C(Cc1csc(-c2ccccn2)n1)N1CCC(c2nnc3ccccn32)CC1 ZINC000028736286 571037643 /nfs/dbraw/zinc/03/76/43/571037643.db2.gz JPMAPICGVWHWJX-UHFFFAOYSA-N 0 0 404.499 3.197 50 0 HGAARN CCCn1c2ccccc2nc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c1=O ZINC000065113219 571047179 /nfs/dbraw/zinc/04/71/79/571047179.db2.gz MCXNAUIFUVCZNO-UHFFFAOYSA-N 0 0 408.477 3.216 50 0 HGAARN COc1ccc(-c2nc3cn(CC(N)=O)ccn-3c2=Nc2ccc3c(c2)OCO3)cc1 ZINC000334158690 571050358 /nfs/dbraw/zinc/05/03/58/571050358.db2.gz LXGOYQHSZGADRP-UHFFFAOYSA-N 0 0 417.425 3.284 50 0 HGAARN CCOC(=O)c1cnn(-c2ccc(SCC(=O)Nc3ccc(C)cc3)nn2)c1C ZINC000067240374 571052188 /nfs/dbraw/zinc/05/21/88/571052188.db2.gz VNWQEAVQFNWNMU-UHFFFAOYSA-N 0 0 411.487 3.187 50 0 HGAARN CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(OC(C)C)cc3)no2)c1=O ZINC000038652662 571052513 /nfs/dbraw/zinc/05/25/13/571052513.db2.gz OPJMEKSXVYIPFO-UHFFFAOYSA-N 0 0 406.442 3.069 50 0 HGAARN Cc1cc(C)n(CC(=O)N(C)C2CCCCC2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000067255215 571055419 /nfs/dbraw/zinc/05/54/19/571055419.db2.gz NRGLADCITYJXRD-UHFFFAOYSA-N 0 0 416.543 3.089 50 0 HGAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NC4CCCCC4)nc23)c(C)c1 ZINC000067255541 571055875 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/nfs/dbraw/zinc/86/89/74/558868974.db2.gz KLKZAZGGSQWKOJ-QGZVFWFLSA-N 0 0 409.577 3.327 50 0 HGAARN CCOC(=O)C[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1 ZINC000004653568 558869179 /nfs/dbraw/zinc/86/91/79/558869179.db2.gz NDYNLRMMRNFYIZ-KRWDZBQOSA-N 0 0 401.459 3.445 50 0 HGAARN COc1ccc(CNC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088462 558870445 /nfs/dbraw/zinc/87/04/45/558870445.db2.gz WQFVTSNOIUNXSJ-UHFFFAOYSA-N 0 0 417.347 3.342 50 0 HGAARN CCCNc1nc2ccccc2nc1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000033086140 558870782 /nfs/dbraw/zinc/87/07/82/558870782.db2.gz ABLUAWUMUUMPNV-UHFFFAOYSA-N 0 0 422.441 3.277 50 0 HGAARN C[C@@H]1CCCN(c2ccc(C(N)=O)cc2NC(=O)c2ccccc2-c2nc[nH]n2)C1 ZINC000055053836 558870900 /nfs/dbraw/zinc/87/09/00/558870900.db2.gz ZPIBQRSGYMWULF-CQSZACIVSA-N 0 0 404.474 3.059 50 0 HGAARN CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3csc4c3CCCC4)C2)CC1 ZINC000055100224 558872673 /nfs/dbraw/zinc/87/26/73/558872673.db2.gz BAMZWEMMAGTTPX-MRXNPFEDSA-N 0 0 405.564 3.006 50 0 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/nfs/dbraw/zinc/87/71/88/558877188.db2.gz PNJKQDWRJGKEKJ-UHFFFAOYSA-N 0 0 404.514 3.252 50 0 HGAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCCCc1ccccc1 ZINC000033124614 558880454 /nfs/dbraw/zinc/88/04/54/558880454.db2.gz XJUZYHMOOLYEPB-FQEVSTJZSA-N 0 0 409.461 3.278 50 0 HGAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccccc1Cl ZINC000033124546 558880470 /nfs/dbraw/zinc/88/04/70/558880470.db2.gz VWZZWWNVRGZFBY-SFHVURJKSA-N 0 0 415.852 3.499 50 0 HGAARN COC(=O)c1c(NC(=O)NCC(=O)N2CCc3ccccc32)sc2c1CCCC2 ZINC000033127804 558881044 /nfs/dbraw/zinc/88/10/44/558881044.db2.gz HQGDYLBUILRWSI-UHFFFAOYSA-N 0 0 413.499 3.124 50 0 HGAARN Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(S(N)(=O)=O)cc3)ccc2C)cc1 ZINC000055414372 558881111 /nfs/dbraw/zinc/88/11/11/558881111.db2.gz BFAMUGVXJBMGRM-UHFFFAOYSA-N 0 0 423.494 3.455 50 0 HGAARN COc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3cccc(OC)c3)n2)cc1 ZINC000013800825 558882457 /nfs/dbraw/zinc/88/24/57/558882457.db2.gz LGKUTMICUPBODF-UHFFFAOYSA-N 0 0 408.458 3.139 50 0 HGAARN CSc1ccc(CNC(=O)CCn2cnc3c(-c4ccccc4)noc3c2=O)cc1 ZINC000033128605 558882491 /nfs/dbraw/zinc/88/24/91/558882491.db2.gz NZZZEIXWLGTKLM-UHFFFAOYSA-N 0 0 420.494 3.480 50 0 HGAARN CCCCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccco1 ZINC000004671613 558885843 /nfs/dbraw/zinc/88/58/43/558885843.db2.gz NKRQRDOKZVSKHX-GOSISDBHSA-N 0 0 408.520 3.394 50 0 HGAARN Cc1c(-c2ccccc2)n(-c2ccc(C)c(C)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000004624332 558887833 /nfs/dbraw/zinc/88/78/33/558887833.db2.gz LQDXRWAVGYJUSA-UHFFFAOYSA-N 0 0 413.481 3.268 50 0 HGAARN Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131506 558888074 /nfs/dbraw/zinc/88/80/74/558888074.db2.gz UIDVTEBAYPTKQN-UHFFFAOYSA-N 0 0 424.975 3.316 50 0 HGAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000057291849 558888135 /nfs/dbraw/zinc/88/81/35/558888135.db2.gz UTUNMYKNJIIQHY-UHFFFAOYSA-N 0 0 421.419 3.237 50 0 HGAARN CC(C)C[C@H](C(=O)Nc1nc2c(s1)C(=O)CCC2)N1C(=O)c2ccccc2C1=O ZINC000060362211 558888235 /nfs/dbraw/zinc/88/82/35/558888235.db2.gz RLXDHOCILPLUSE-OAHLLOKOSA-N 0 0 411.483 3.312 50 0 HGAARN O=C(NCCc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004679533 558890650 /nfs/dbraw/zinc/89/06/50/558890650.db2.gz JCMAAJFVVGXMFP-HXUWFJFHSA-N 0 0 412.848 3.424 50 0 HGAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000033139830 558891670 /nfs/dbraw/zinc/89/16/70/558891670.db2.gz HBGVBEHDXVNITL-UHFFFAOYSA-N 0 0 422.533 3.160 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc1 ZINC000033140834 558892749 /nfs/dbraw/zinc/89/27/49/558892749.db2.gz OGPPQTBCBDFKDO-UHFFFAOYSA-N 0 0 403.442 3.432 50 0 HGAARN COc1ccc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc1OC ZINC000033140794 558892926 /nfs/dbraw/zinc/89/29/26/558892926.db2.gz FPDHPEUCAQKLDZ-UHFFFAOYSA-N 0 0 406.442 3.490 50 0 HGAARN CC(=O)Nc1cn(-c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)cn1 ZINC000033140756 558892941 /nfs/dbraw/zinc/89/29/41/558892941.db2.gz FBIYQUYXAFRARZ-UHFFFAOYSA-N 0 0 417.513 3.410 50 0 HGAARN C[C@@H]1Nc2c(C(N)=O)cnn2[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000072332723 558892999 /nfs/dbraw/zinc/89/29/99/558892999.db2.gz DQRUVKHRDSHBAA-RZAIGCCYSA-N 0 0 409.877 3.294 50 0 HGAARN O=C(C[C@@H]1SC2=NCN(c3cccc(Cl)c3)CN2C1=O)Nc1ccccc1 ZINC000072332992 558893362 /nfs/dbraw/zinc/89/33/62/558893362.db2.gz GVSLYRKBBKHZOU-INIZCTEOSA-N 0 0 400.891 3.404 50 0 HGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)Nc1ccc(Br)cc1)C(=O)N2 ZINC000004682482 558894513 /nfs/dbraw/zinc/89/45/13/558894513.db2.gz UFPTYQFRZUSDQW-GMBSWORKSA-N 0 0 401.260 3.416 50 0 HGAARN C[C@H](SCc1ccccc1)C(=O)N1CCN(c2ncc(Br)cn2)CC1 ZINC000058045348 558896570 /nfs/dbraw/zinc/89/65/70/558896570.db2.gz SZBLUFYVDGODHR-AWEZNQCLSA-N 0 0 421.364 3.210 50 0 HGAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000058144629 558901810 /nfs/dbraw/zinc/90/18/10/558901810.db2.gz CEBRZFHCMBBUIU-QRWLVFNGSA-N 0 0 417.531 3.199 50 0 HGAARN C[C@H](CNC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)N(C)c1ccccc1 ZINC000058145858 558901846 /nfs/dbraw/zinc/90/18/46/558901846.db2.gz VOIDCLADDZIOPK-IAGOWNOFSA-N 0 0 421.505 3.124 50 0 HGAARN CCCN([C@@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000058155156 558902863 /nfs/dbraw/zinc/90/28/63/558902863.db2.gz CKWURYGQKZZIMH-INIZCTEOSA-N 0 0 418.515 3.291 50 0 HGAARN O=C(OCCN1C(=O)CCC1=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000058167047 558907282 /nfs/dbraw/zinc/90/72/82/558907282.db2.gz UATZDEBRXXKFDX-UHFFFAOYSA-N 0 0 408.385 3.454 50 0 HGAARN COc1ccc(CCC(=O)N2CCCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000058172759 558908588 /nfs/dbraw/zinc/90/85/88/558908588.db2.gz GVDAQEGLOALYKW-UHFFFAOYSA-N 0 0 419.525 3.413 50 0 HGAARN COc1ccc([C@H]2CCCN2CN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1 ZINC000058173687 558908842 /nfs/dbraw/zinc/90/88/42/558908842.db2.gz JEIWHUQEVQSMLO-GXPWMBGSSA-N 0 0 401.507 3.299 50 0 HGAARN Cc1cccc2c(=O)n(CCC(=O)N[C@@H](C)c3nc(-c4ccc(F)cc4)no3)cnc12 ZINC000058180452 558910115 /nfs/dbraw/zinc/91/01/15/558910115.db2.gz ZZDBGEURPHDVBL-AWEZNQCLSA-N 0 0 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COC(=O)CCn1c(C)cc(C(=O)COC(=O)Cc2coc3cc(O)ccc23)c1C ZINC000004921030 559206844 /nfs/dbraw/zinc/20/68/44/559206844.db2.gz CRCGCNVUKBHPMC-UHFFFAOYSA-N 0 0 413.426 3.088 50 0 HGAARN COc1cc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc(OC)c1OC ZINC000004921271 559206846 /nfs/dbraw/zinc/20/68/46/559206846.db2.gz DRHKVBJNUKWFAD-UHFFFAOYSA-N 0 0 401.394 3.473 50 0 HGAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCCCN1CCCC1=O ZINC000004935256 559210191 /nfs/dbraw/zinc/21/01/91/559210191.db2.gz AZBOBWOXTDBIKF-UHFFFAOYSA-N 0 0 419.529 3.074 50 0 HGAARN CC[C@@H](C)NC(=O)CCc1c(C)nc2nc(-c3cc(OC)cc(OC)c3)nn2c1C ZINC000004936120 559210715 /nfs/dbraw/zinc/21/07/15/559210715.db2.gz LHVGFJAFPOEVQJ-CYBMUJFWSA-N 0 0 411.506 3.273 50 0 HGAARN COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NC4CCCC4)c(C)n3n2)c1 ZINC000004936108 559210747 /nfs/dbraw/zinc/21/07/47/559210747.db2.gz XALSBOZWASJING-UHFFFAOYSA-N 0 0 423.517 3.417 50 0 HGAARN COC[C@]1(CNC(=O)c2csc(C(F)(F)F)n2)CCCN1C(=O)OC(C)(C)C ZINC000408516469 559212920 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CCOC(=O)N1CCN(C(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1 ZINC000005022543 559229403 /nfs/dbraw/zinc/22/94/03/559229403.db2.gz DMYQZIDMZFKPBD-UHFFFAOYSA-N 0 0 416.478 3.355 50 0 HGAARN COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000005030127 559231236 /nfs/dbraw/zinc/23/12/36/559231236.db2.gz UEMGVZJTQGIRKI-UHFFFAOYSA-N 0 0 409.393 3.421 50 0 HGAARN O=C(CSc1nc2ccccc2o1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000005034027 559231751 /nfs/dbraw/zinc/23/17/51/559231751.db2.gz ZXACMHFQYMYLJU-INIZCTEOSA-N 0 0 416.524 3.136 50 0 HGAARN CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000005034096 559231780 /nfs/dbraw/zinc/23/17/80/559231780.db2.gz YVMPVORTNOEOCD-CQSZACIVSA-N 0 0 411.487 3.383 50 0 HGAARN O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000005035667 559232224 /nfs/dbraw/zinc/23/22/24/559232224.db2.gz BELUDXBIBANKOC-QGZVFWFLSA-N 0 0 401.532 3.084 50 0 HGAARN CCc1ccc(CN(C(=O)COc2ccccc2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005046748 559236623 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50 0 HGAARN CSc1cccc(N2C(=O)N(Cc3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000020979436 568654169 /nfs/dbraw/zinc/65/41/69/568654169.db2.gz FYYRVJMQJZZVTF-MOPGFXCFSA-N 0 0 402.541 3.325 50 0 HGAARN COc1ccc(-c2nc(SCc3cc(=O)n4nc(C5CC5)sc4n3)n[nH]2)cc1 ZINC000020982650 568654894 /nfs/dbraw/zinc/65/48/94/568654894.db2.gz OUHMNZKBBBJQDN-UHFFFAOYSA-N 0 0 412.500 3.114 50 0 HGAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)cc12 ZINC000225622656 568657822 /nfs/dbraw/zinc/65/78/22/568657822.db2.gz GQHHQSWPGNSCEG-WBVHZDCISA-N 0 0 410.499 3.025 50 0 HGAARN CCOc1nc(Cl)ccc1C(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000225647246 568659954 /nfs/dbraw/zinc/65/99/54/568659954.db2.gz WMFVJMUMVBJODI-UHFFFAOYSA-N 0 0 419.909 3.109 50 0 HGAARN CC(C)Cc1nn2c(nc(CSc3nnc(-c4ccccc4)n3C)cc2=O)s1 ZINC000021052566 568661031 /nfs/dbraw/zinc/66/10/31/568661031.db2.gz IDGICHPZGZZHFL-UHFFFAOYSA-N 0 0 412.544 3.437 50 0 HGAARN COC(=O)c1cn([C@@H]2CCN(C(=O)c3oc4c(ccc5ccccc45)c3C)C2)nn1 ZINC000095940540 568661713 /nfs/dbraw/zinc/66/17/13/568661713.db2.gz MRFQFRXWAOAGPB-OAHLLOKOSA-N 0 0 404.426 3.360 50 0 HGAARN Cc1cccc(-c2nn(Cc3ccccc3)cc2CN2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000095940871 568661859 /nfs/dbraw/zinc/66/18/59/568661859.db2.gz CCDSPODTESIAGT-JOCHJYFZSA-N 0 0 424.570 3.160 50 0 HGAARN Cc1nc2ccccc2n(CCNS(=O)(=O)c2ccccc2-c2ccccc2)c1=O ZINC000095943753 568662841 /nfs/dbraw/zinc/66/28/41/568662841.db2.gz VMUDLRQZYJDKCW-UHFFFAOYSA-N 0 0 419.506 3.350 50 0 HGAARN Cc1ccc2c(c1)nc(CNC(=O)Nc1ccccc1-c1nnnn1C(C)C)n2C ZINC000225682005 568663961 /nfs/dbraw/zinc/66/39/61/568663961.db2.gz VRSFGRYWSWOUEL-UHFFFAOYSA-N 0 0 404.478 3.438 50 0 HGAARN O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000095955801 568669306 /nfs/dbraw/zinc/66/93/06/568669306.db2.gz MTFNBMBRBCRZSI-AWEZNQCLSA-N 0 0 413.326 3.352 50 0 HGAARN CC(C)(C)[S@@](=O)CCNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000095958699 568669861 /nfs/dbraw/zinc/66/98/61/568669861.db2.gz UTQUQZXICJUKJI-RKOGDMNLSA-N 0 0 422.494 3.100 50 0 HGAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000225742306 568670572 /nfs/dbraw/zinc/67/05/72/568670572.db2.gz AGQGWBJHKHKOGR-CQSZACIVSA-N 0 0 416.996 3.237 50 0 HGAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccn3)cs2)O1 ZINC000225766671 568672480 /nfs/dbraw/zinc/67/24/80/568672480.db2.gz KXUNBHFSJWTNGI-DOMZBBRYSA-N 0 0 404.492 3.216 50 0 HGAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)NC3CCCCC3)CC2)c1C ZINC000021153882 568673146 /nfs/dbraw/zinc/67/31/46/568673146.db2.gz JAFCOAGNWVJNLF-UHFFFAOYSA-N 0 0 417.550 3.499 50 0 HGAARN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2cc(F)ccc2F)c(C)n1C ZINC000021154109 568673168 /nfs/dbraw/zinc/67/31/68/568673168.db2.gz SKXBYRXHRZBIHF-UHFFFAOYSA-N 0 0 411.474 3.347 50 0 HGAARN O=S(=O)(c1ccc(Br)cc1)N1CCCN(Cc2cccs2)CC1 ZINC000030383352 568675446 /nfs/dbraw/zinc/67/54/46/568675446.db2.gz AMTJOPKYOMOMHH-UHFFFAOYSA-N 0 0 415.378 3.407 50 0 HGAARN COC(=O)c1cc(S(=O)(=O)N(C[C@H](O)c2ccccc2)CC(C)(C)C)oc1C ZINC000095986221 568676554 /nfs/dbraw/zinc/67/65/54/568676554.db2.gz PJMCTLNUEPVIKA-KRWDZBQOSA-N 0 0 409.504 3.145 50 0 HGAARN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000095993480 568678124 /nfs/dbraw/zinc/67/81/24/568678124.db2.gz NMLOKRTWWNTZMK-GFCCVEGCSA-N 0 0 404.385 3.443 50 0 HGAARN Cc1nc2n(c1CN1CCN(c3cc(C)nc(-c4cccnc4)n3)CC1)CCCC2 ZINC000095997005 568679118 /nfs/dbraw/zinc/67/91/18/568679118.db2.gz BDBRCNJQTLBVFG-UHFFFAOYSA-N 0 0 403.534 3.010 50 0 HGAARN CCOC(=O)c1cnc2c(c(C)nn2C)c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000095997077 568679168 /nfs/dbraw/zinc/67/91/68/568679168.db2.gz CJYUVQUMKSWTIY-UHFFFAOYSA-N 0 0 414.462 3.091 50 0 HGAARN Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3ccc4c(c3)COCO4)no2)cn1 ZINC000096001843 568681361 /nfs/dbraw/zinc/68/13/61/568681361.db2.gz DDLTUNUJRBGURS-KRWDZBQOSA-N 0 0 409.446 3.094 50 0 HGAARN CCOC(=O)Nc1ccc2c(CN3CC(=O)Nc4c(F)cccc43)cc(=O)oc2c1 ZINC000096012819 568685146 /nfs/dbraw/zinc/68/51/46/568685146.db2.gz TXAFQMWANWZNKR-UHFFFAOYSA-N 0 0 411.389 3.459 50 0 HGAARN Cc1noc(C)c1Cn1c(=O)c2ccccc2nc1N1CCN(c2ccccc2)CC1 ZINC000096097162 568689597 /nfs/dbraw/zinc/68/95/97/568689597.db2.gz HFPCAODXDDBUEQ-UHFFFAOYSA-N 0 0 415.497 3.376 50 0 HGAARN O=S(=O)(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccc2c(c1)OCCO2 ZINC000096099250 568690054 /nfs/dbraw/zinc/69/00/54/568690054.db2.gz LDRVCKAGPPPPMZ-UHFFFAOYSA-N 0 0 417.531 3.127 50 0 HGAARN O=C(c1cc(=O)c2ccccc2o1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099447 568690078 /nfs/dbraw/zinc/69/00/78/568690078.db2.gz DWMKVUPCANPWQL-UHFFFAOYSA-N 0 0 415.442 3.011 50 0 HGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000096099622 568690751 /nfs/dbraw/zinc/69/07/51/568690751.db2.gz JIHVGVRMYVAHJJ-UHFFFAOYSA-N 0 0 412.511 3.184 50 0 HGAARN COc1ccc(CNC(=O)CS[C@@H]2CCc3ccccc3NC2=O)cc1OC ZINC000012389332 568691237 /nfs/dbraw/zinc/69/12/37/568691237.db2.gz DYLRRCOPPIQWSQ-LJQANCHMSA-N 0 0 400.500 3.007 50 0 HGAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 ZINC000012389387 568691391 /nfs/dbraw/zinc/69/13/91/568691391.db2.gz GXACDBMSFABSRL-LJQANCHMSA-N 0 0 405.498 3.388 50 0 HGAARN COc1ccc(CCC(=O)N2CCCN(c3nnc4ccc(Cl)cn43)CC2)cc1 ZINC000096102208 568691500 /nfs/dbraw/zinc/69/15/00/568691500.db2.gz KVTVGRSZNZFKDY-UHFFFAOYSA-N 0 0 413.909 3.063 50 0 HGAARN COC(=O)c1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1 ZINC000096104111 568692095 /nfs/dbraw/zinc/69/20/95/568692095.db2.gz XTIKOBZRVYGYJP-UHFFFAOYSA-N 0 0 403.504 3.141 50 0 HGAARN COc1ccc(CNC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1OC ZINC000096103784 568692128 /nfs/dbraw/zinc/69/21/28/568692128.db2.gz XETZHDVBDSCGTO-UHFFFAOYSA-N 0 0 412.412 3.296 50 0 HGAARN O=C(c1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000096105408 568692789 /nfs/dbraw/zinc/69/27/89/568692789.db2.gz INKKGERSEYYVPV-UHFFFAOYSA-N 0 0 415.852 3.206 50 0 HGAARN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012390002 568693572 /nfs/dbraw/zinc/69/35/72/568693572.db2.gz LRXMRTFYHCODMH-CYBMUJFWSA-N 0 0 421.320 3.060 50 0 HGAARN Cn1cc(CCC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c2ccccc21 ZINC000096114559 568694308 /nfs/dbraw/zinc/69/43/08/568694308.db2.gz YEXXORNTAUBIAL-NRFANRHFSA-N 0 0 416.481 3.306 50 0 biogenic HGAARN COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccccc4)[nH]n3)CC2)c1 ZINC000096398082 568694614 /nfs/dbraw/zinc/69/46/14/568694614.db2.gz HFOFZELODSZNGQ-UHFFFAOYSA-N 0 0 406.486 3.446 50 0 HGAARN O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCSc1ccccc1 ZINC000096117606 568696817 /nfs/dbraw/zinc/69/68/17/568696817.db2.gz GRKSZAOGFJYAMM-INIZCTEOSA-N 0 0 401.923 3.409 50 0 HGAARN COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCSCC2)ccc1O ZINC000096118362 568697867 /nfs/dbraw/zinc/69/78/67/568697867.db2.gz MSWVMJGIBFALMG-MRXNPFEDSA-N 0 0 407.517 3.146 50 0 HGAARN Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCCCc2nc3ccccc3[nH]2)[nH]n1 ZINC000096118627 568698413 /nfs/dbraw/zinc/69/84/13/568698413.db2.gz IDEBXGQOHNUWKB-UHFFFAOYSA-N 0 0 405.506 3.446 50 0 HGAARN CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000012397340 568698496 /nfs/dbraw/zinc/69/84/96/568698496.db2.gz NSPWNDPOSNIPIS-UHFFFAOYSA-N 0 0 413.493 3.244 50 0 HGAARN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(CSc2nc[nH]n2)cc1 ZINC000021393590 568698877 /nfs/dbraw/zinc/69/88/77/568698877.db2.gz CHSBDIHFRRTTCN-UHFFFAOYSA-N 0 0 414.487 3.053 50 0 HGAARN O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1csc(-c2ccccc2)n1 ZINC000096120508 568699445 /nfs/dbraw/zinc/69/94/45/568699445.db2.gz DNIAETLZJJHZMG-UHFFFAOYSA-N 0 0 406.511 3.487 50 0 HGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)CSCc3ccccc3)CC2)cc1 ZINC000096121828 568700102 /nfs/dbraw/zinc/70/01/02/568700102.db2.gz JUONXLSCZNATAF-UHFFFAOYSA-N 0 0 419.568 3.393 50 0 HGAARN CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc2NC1=O ZINC000096182290 568702790 /nfs/dbraw/zinc/70/27/90/568702790.db2.gz XZTVLWSRHBPFFE-QFIPXVFZSA-N 0 0 412.442 3.379 50 0 HGAARN CN1C(=O)CC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000096182564 568702794 /nfs/dbraw/zinc/70/27/94/568702794.db2.gz JVEWLUBLUCCFAF-FYYLOGMGSA-N 0 0 409.505 3.080 50 0 HGAARN CC(C)c1ccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000012401741 568704610 /nfs/dbraw/zinc/70/46/10/568704610.db2.gz NBQXLEACBDZTSX-UHFFFAOYSA-N 0 0 414.465 3.310 50 0 HGAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 ZINC000096230870 568706791 /nfs/dbraw/zinc/70/67/91/568706791.db2.gz HWHCSSLNJJUHBH-INIZCTEOSA-N 0 0 424.482 3.144 50 0 HGAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cccc3ccccc32)o1 ZINC000096231025 568707047 /nfs/dbraw/zinc/70/70/47/568707047.db2.gz UHUFWZVNMPVUMF-FQEVSTJZSA-N 0 0 423.465 3.026 50 0 HGAARN Cn1c(CCCCCNC(=O)[C@H]2CCCN(c3ncccn3)C2)nc2ccccc21 ZINC000096231621 568707300 /nfs/dbraw/zinc/70/73/00/568707300.db2.gz ZMDOIBYLRGUPSQ-SFHVURJKSA-N 0 0 406.534 3.109 50 0 HGAARN Cc1ccc(/C=C/c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 ZINC000096236032 568708377 /nfs/dbraw/zinc/70/83/77/568708377.db2.gz HIZKQGXVFJYLNC-IZZDOVSWSA-N 0 0 411.483 3.236 50 0 HGAARN COc1ccccc1OCCN1C[C@H](C(=O)Nc2cccc3c2ccn3C)CC1=O ZINC000096232752 568708495 /nfs/dbraw/zinc/70/84/95/568708495.db2.gz PAXFKYFWVAHARK-MRXNPFEDSA-N 0 0 407.470 3.053 50 0 HGAARN Cc1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCC[C@@H]4C3=O)cc2)c(Cl)c1 ZINC000021527076 568709568 /nfs/dbraw/zinc/70/95/68/568709568.db2.gz OTQMXSNAWOZDSV-LJQANCHMSA-N 0 0 411.889 3.234 50 0 HGAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCCCN1CCCC1=O ZINC000021530358 568710564 /nfs/dbraw/zinc/71/05/64/568710564.db2.gz PDYWKMXPRRQBMG-NRFANRHFSA-N 0 0 423.488 3.042 50 0 HGAARN C[C@@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000024988522 568711407 /nfs/dbraw/zinc/71/14/07/568711407.db2.gz MXSDVVUFGSDPLJ-GOSISDBHSA-N 0 0 423.538 3.218 50 0 HGAARN CCc1nc(-c2cccc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)c2)no1 ZINC000021533906 568711611 /nfs/dbraw/zinc/71/16/11/568711611.db2.gz KOYAWUAXQISUIW-UHFFFAOYSA-N 0 0 412.833 3.317 50 0 HGAARN O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)N1CCCc2ccccc21 ZINC000021537139 568712147 /nfs/dbraw/zinc/71/21/47/568712147.db2.gz BENYGVMLOJZTCV-UHFFFAOYSA-N 0 0 417.494 3.156 50 0 HGAARN Cn1c2nc(Oc3ccc(Cl)cc3)n(Cc3cccc(F)c3)c2c(=O)n(C)c1=O ZINC000000851295 568712340 /nfs/dbraw/zinc/71/23/40/568712340.db2.gz IBWHRLGQKNBSND-UHFFFAOYSA-N 0 0 414.824 3.067 50 0 biogenic HGAARN C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096277756 568716097 /nfs/dbraw/zinc/71/60/97/568716097.db2.gz ODZYBYHETXCMPH-LLVKDONJSA-N 0 0 401.806 3.375 50 0 HGAARN O=C(NC[C@H]1CCCO1)c1ccc(Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000230510670 568717324 /nfs/dbraw/zinc/71/73/24/568717324.db2.gz AMVQVWRHGRCCFV-SZPZYZBQSA-N 0 0 424.497 3.297 50 0 HGAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)c(S(=O)(=O)c3ccccc3)c21 ZINC000000862727 568718626 /nfs/dbraw/zinc/71/86/26/568718626.db2.gz GXYZPVNAIUJVGF-UHFFFAOYSA-N 0 0 415.467 3.422 50 0 biogenic HGAARN CCNC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)CC1CC1 ZINC000096288750 568719715 /nfs/dbraw/zinc/71/97/15/568719715.db2.gz JNWZZZVABPXYAO-UHFFFAOYSA-N 0 0 418.515 3.404 50 0 HGAARN COc1ccc(CN(CC2CC2)C(=O)c2cccc(F)c2)cc1OS(C)(=O)=O ZINC000096291882 568720943 /nfs/dbraw/zinc/72/09/43/568720943.db2.gz IMPMLICJDUZVBS-UHFFFAOYSA-N 0 0 407.463 3.225 50 0 HGAARN COC(=O)[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)CC1CC1 ZINC000096299905 568723087 /nfs/dbraw/zinc/72/30/87/568723087.db2.gz KDDPLFSEFMQEDS-LJQANCHMSA-N 0 0 412.530 3.433 50 0 HGAARN CC[C@@H](C)NC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2ccc(C)c(Cl)c2)c1=O ZINC000096318215 568727173 /nfs/dbraw/zinc/72/71/73/568727173.db2.gz SCPJEDUDCZMSBN-OAHLLOKOSA-N 0 0 413.905 3.337 50 0 HGAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(F)c(Cl)c1)c(=O)n2[C@@H](C)C(=O)NC(C)C ZINC000096318350 568727244 /nfs/dbraw/zinc/72/72/44/568727244.db2.gz GFQSRCVQTIYTHF-ZDUSSCGKSA-N 0 0 417.868 3.339 50 0 HGAARN C[C@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N21)C(=O)NCc1ccc(F)cc1 ZINC000021644137 568727914 /nfs/dbraw/zinc/72/79/14/568727914.db2.gz RBLDOCPHSJSRGU-STQMWFEESA-N 0 0 410.474 3.242 50 0 HGAARN COc1cccc(-c2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4C(C)C)no2)c1OC ZINC000096320638 568728813 /nfs/dbraw/zinc/72/88/13/568728813.db2.gz KXHCVERWQGHZKB-UHFFFAOYSA-N 0 0 408.414 3.005 50 0 HGAARN CCN1CCN(C(=O)CSCc2nc3cccnc3n2C2CCCCC2)CC1 ZINC000021650945 568729149 /nfs/dbraw/zinc/72/91/49/568729149.db2.gz ZNODVCNJMXCYBS-UHFFFAOYSA-N 0 0 401.580 3.334 50 0 HGAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC[C@H]4CCCO4)cc3N2)c1 ZINC000239439021 568729497 /nfs/dbraw/zinc/72/94/97/568729497.db2.gz ZIMWSXYTLSLRRR-HLLBOEOZSA-N 0 0 424.423 3.461 50 0 HGAARN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000239539259 568729823 /nfs/dbraw/zinc/72/98/23/568729823.db2.gz AVYWSIOVPJZCQJ-HNNXBMFYSA-N 0 0 409.483 3.351 50 0 HGAARN Cc1nn(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)c2c1C(=O)CCC2 ZINC000021652826 568730384 /nfs/dbraw/zinc/73/03/84/568730384.db2.gz PEGLBLNBYQKAJK-UHFFFAOYSA-N 0 0 415.497 3.057 50 0 HGAARN O=C(Cn1nc2c3cc(-c4ccc(Cl)cc4)nn3ccn2c1=O)Nc1ccccc1 ZINC000096322523 568730501 /nfs/dbraw/zinc/73/05/01/568730501.db2.gz LZOWHSUPDFPMOC-UHFFFAOYSA-N 0 0 418.844 3.103 50 0 HGAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)c3nnc([C@@H](C)CC)[nH]3)cc2)c1C ZINC000241439990 568731226 /nfs/dbraw/zinc/73/12/26/568731226.db2.gz NOCRCJHYLJOHJT-UONOGXRCSA-N 0 0 424.505 3.480 50 0 HGAARN O=C(NCCCc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000096324750 568734294 /nfs/dbraw/zinc/73/42/94/568734294.db2.gz VKNHOHHDZHUSQC-HXUWFJFHSA-N 0 0 417.513 3.073 50 0 HGAARN Cc1ccc(F)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1cc(F)cc(F)c1)C3 ZINC000096326935 568734898 /nfs/dbraw/zinc/73/48/98/568734898.db2.gz LGVSCCPGSDADDY-UHFFFAOYSA-N 0 0 401.388 3.251 50 0 HGAARN Cc1ccc(F)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(F)c(F)c1)C3 ZINC000096326932 568734949 /nfs/dbraw/zinc/73/49/49/568734949.db2.gz QUOULELQJOXPMJ-UHFFFAOYSA-N 0 0 401.388 3.251 50 0 HGAARN COC(=O)c1ccc(OC)c(CSC2=Nc3cc(C)ccc3S(=O)(=O)N2)c1 ZINC000021661383 568736114 /nfs/dbraw/zinc/73/61/14/568736114.db2.gz OTHBZPXILRNSFP-UHFFFAOYSA-N 0 0 406.485 3.194 50 0 HGAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cccc(C2SCCCS2)c1 ZINC000018706270 568738760 /nfs/dbraw/zinc/73/87/60/568738760.db2.gz FUQAFIQAJQGLKZ-IYBDPMFKSA-N 0 0 402.541 3.445 50 0 HGAARN CC(=O)NCCc1csc([C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 ZINC000096373042 568740456 /nfs/dbraw/zinc/74/04/56/568740456.db2.gz OYGFEXQEKKOGJR-KRWDZBQOSA-N 0 0 408.527 3.390 50 0 HGAARN CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)c3ccc(OC)cc3)C2)n1 ZINC000096373108 568740594 /nfs/dbraw/zinc/74/05/94/568740594.db2.gz QWRDYQSUIKULKF-INIZCTEOSA-N 0 0 401.532 3.240 50 0 HGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)CCc3sccc3C)CC2)cc1 ZINC000096376248 568740761 /nfs/dbraw/zinc/74/07/61/568740761.db2.gz UOPYCGWEBGDRSD-UHFFFAOYSA-N 0 0 407.557 3.463 50 0 HGAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCOCC3)n2)cc1 ZINC000000890666 568740827 /nfs/dbraw/zinc/74/08/27/568740827.db2.gz GMHJTMKPFJESPU-UHFFFAOYSA-N 0 0 413.421 3.122 50 0 HGAARN COCCc1ccc(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1 ZINC000018830651 568741556 /nfs/dbraw/zinc/74/15/56/568741556.db2.gz OXSRTDWVKRBFDG-UHFFFAOYSA-N 0 0 408.487 3.306 50 0 HGAARN Cc1ccc(Cn2c3cccnc3n(CCNC(=O)[C@H](C)c3ccccc3)c2=O)cc1 ZINC000096385998 568742312 /nfs/dbraw/zinc/74/23/12/568742312.db2.gz SQGXMLMZIJCFAB-LJQANCHMSA-N 0 0 414.509 3.475 50 0 HGAARN O=C(NCc1ccccn1)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000096386343 568742930 /nfs/dbraw/zinc/74/29/30/568742930.db2.gz NEDAPISMTPRPTO-UHFFFAOYSA-N 0 0 413.934 3.448 50 0 HGAARN CO[C@](C)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000096392986 568744723 /nfs/dbraw/zinc/74/47/23/568744723.db2.gz NWNRJSLBHCQISM-LJQANCHMSA-N 0 0 411.907 3.341 50 0 HGAARN Cc1ccc(N2CC[C@H](NS(=O)(=O)c3ccccc3Br)C2=O)cc1C ZINC000096396286 568744870 /nfs/dbraw/zinc/74/48/70/568744870.db2.gz AGRFRNGVRALXIW-INIZCTEOSA-N 0 0 423.332 3.150 50 0 HGAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3c4ccccc4CCN3C(=O)C3CC3)CC2)c1 ZINC000096396594 568745036 /nfs/dbraw/zinc/74/50/36/568745036.db2.gz HJIKWCGMXNFLRJ-XMMPIXPASA-N 0 0 417.553 3.488 50 0 HGAARN CCOc1ccccc1NC(=O)N1CCC(c2nc(C(=O)N(C)C)c(C)o2)CC1 ZINC000096397020 568745657 /nfs/dbraw/zinc/74/56/57/568745657.db2.gz SXPXOYWHXHGDIK-UHFFFAOYSA-N 0 0 400.479 3.495 50 0 HGAARN COc1ccc(CCNC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1OC ZINC000025086838 568749198 /nfs/dbraw/zinc/74/91/98/568749198.db2.gz ANVTWTZHOWDMCU-UHFFFAOYSA-N 0 0 408.502 3.333 50 0 HGAARN Cc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400157 568749354 /nfs/dbraw/zinc/74/93/54/568749354.db2.gz ASYNJISBKWIZPR-UHFFFAOYSA-N 0 0 408.458 3.284 50 0 HGAARN Cc1nn(CC(=O)N(C)Cc2ccccc2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400163 568749499 /nfs/dbraw/zinc/74/94/99/568749499.db2.gz UDCLOXNCBBEUDP-UHFFFAOYSA-N 0 0 404.495 3.487 50 0 HGAARN C[C@@]1(C(=O)NCc2ccc(Cl)cc2)Cn2c3ccccc3nc2C(=O)N1C1CC1 ZINC000021781570 568752670 /nfs/dbraw/zinc/75/26/70/568752670.db2.gz IDHKFNFSTKAKQL-QFIPXVFZSA-N 0 0 408.889 3.383 50 0 HGAARN Cc1ccc(NC(=O)Cn2c3nc(-c4ccccc4C)nn3c(=O)cc2C)c(C)c1 ZINC000021802794 568754170 /nfs/dbraw/zinc/75/41/70/568754170.db2.gz DLWQHJHIMUDSMK-UHFFFAOYSA-N 0 0 401.470 3.430 50 0 HGAARN COC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C ZINC000253612295 568755317 /nfs/dbraw/zinc/75/53/17/568755317.db2.gz HPLLIRHYKNUAJM-UZXNULCISA-N 0 0 406.519 3.044 50 0 HGAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1C[C@H]1CCCO1 ZINC000021862094 568755435 /nfs/dbraw/zinc/75/54/35/568755435.db2.gz YWVUEIBEJTVABM-KOSHJBKYSA-N 0 0 424.545 3.269 50 0 HGAARN CCCN(CCC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)nn(C)c1C ZINC000021881990 568757271 /nfs/dbraw/zinc/75/72/71/568757271.db2.gz KYKCFKGGOMNTLI-UHFFFAOYSA-N 0 0 420.579 3.189 50 0 HGAARN CC[C@@H](C(=O)Nc1ccc2nc(NC(C)=O)sc2c1)N1C(=O)COc2ccccc21 ZINC000021883057 568757838 /nfs/dbraw/zinc/75/78/38/568757838.db2.gz LLNLNUNYVOYOPN-HNNXBMFYSA-N 0 0 424.482 3.397 50 0 HGAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C)n4)c3)C2)cc1 ZINC000021884949 568758232 /nfs/dbraw/zinc/75/82/32/568758232.db2.gz LIOMVABPNRRDLM-INIZCTEOSA-N 0 0 406.442 3.435 50 0 HGAARN Cc1nc(-c2cccc(N3C[C@@H](C(=O)NCc4ccc(Cl)cc4)CC3=O)c2)no1 ZINC000021884878 568758273 /nfs/dbraw/zinc/75/82/73/568758273.db2.gz JVMFCPRGVGTGAO-INIZCTEOSA-N 0 0 410.861 3.368 50 0 HGAARN Cc1cc(C)nc(SC2=C(N3CCCCC3)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000000959906 568758310 /nfs/dbraw/zinc/75/83/10/568758310.db2.gz VIROAZVLGGOPFM-UHFFFAOYSA-N 0 0 408.527 3.452 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C)n4)c3)C2)cc1OC ZINC000021884843 568758312 /nfs/dbraw/zinc/75/83/12/568758312.db2.gz RXDJMVQLCPIUKN-OAHLLOKOSA-N 0 0 422.441 3.054 50 0 HGAARN COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(-c3noc(C)n3)c2)C1 ZINC000021885083 568758450 /nfs/dbraw/zinc/75/84/50/568758450.db2.gz DNZAIURUNVMJMG-INIZCTEOSA-N 0 0 406.442 3.354 50 0 HGAARN CC(C)(C)c1ccc(OCCNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000021904249 568760087 /nfs/dbraw/zinc/76/00/87/568760087.db2.gz IPDYUAUCNDBCLA-RTBURBONSA-N 0 0 400.519 3.044 50 0 HGAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCCc1ccccn1 ZINC000021899921 568760144 /nfs/dbraw/zinc/76/01/44/568760144.db2.gz USIHWEVLNOPMCV-UHFFFAOYSA-N 0 0 416.403 3.445 50 0 HGAARN CCOC(=O)/C=C/c1ccc(NC(=O)CN(C)Cc2ccc(OC)cc2OC)cc1 ZINC000022060250 568764526 /nfs/dbraw/zinc/76/45/26/568764526.db2.gz SJINORLSRMOADU-MDWZMJQESA-N 0 0 412.486 3.351 50 0 HGAARN COc1ccc(Cn2nnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2N)cc1 ZINC000001075949 568767054 /nfs/dbraw/zinc/76/70/54/568767054.db2.gz ULNIZAHAEQTKTD-UHFFFAOYSA-N 0 0 407.352 3.068 50 0 HGAARN O=C(CCc1nc(-c2ccncc2)no1)NCCc1ccc(Br)s1 ZINC000022377150 568767038 /nfs/dbraw/zinc/76/70/38/568767038.db2.gz LLMKAEBEQKPEDS-UHFFFAOYSA-N 0 0 407.293 3.247 50 0 HGAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(=O)cc(N)n2CCc2ccccc2)cc1 ZINC000001076837 568767256 /nfs/dbraw/zinc/76/72/56/568767256.db2.gz GTXKOCMRQYGVLO-MRXNPFEDSA-N 0 0 408.527 3.496 50 0 HGAARN O=C(Nc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)c1ccco1 ZINC000022411605 568767913 /nfs/dbraw/zinc/76/79/13/568767913.db2.gz WGTDSRFQEWKXCQ-UHFFFAOYSA-N 0 0 414.439 3.494 50 0 HGAARN Cc1cc(C(=O)NC2CCN(C(=O)C3(c4cccc(Cl)c4)CCC3)CC2)on1 ZINC000097160213 568768980 /nfs/dbraw/zinc/76/89/80/568768980.db2.gz LXMDASXMWZQDQP-UHFFFAOYSA-N 0 0 401.894 3.479 50 0 HGAARN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCC(=O)c3ccccc32)s1 ZINC000097164879 568769314 /nfs/dbraw/zinc/76/93/14/568769314.db2.gz QWNWWFOXKFCLRT-UHFFFAOYSA-N 0 0 420.556 3.235 50 0 HGAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC(C(N)=O)CC2)cc1C ZINC000022574051 568769926 /nfs/dbraw/zinc/76/99/26/568769926.db2.gz HSEKBGQVQVVLIF-UHFFFAOYSA-N 0 0 423.538 3.386 50 0 HGAARN CC(C)c1ccc(C(=O)N2CCN(Cn3nnn(C(C)(C)C)c3=S)CC2)cc1 ZINC000025475250 568770592 /nfs/dbraw/zinc/77/05/92/568770592.db2.gz INFDTTDKTMQACQ-UHFFFAOYSA-N 0 0 402.568 3.103 50 0 HGAARN NC(=O)CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002460980 568772543 /nfs/dbraw/zinc/77/25/43/568772543.db2.gz ADESWCNQYVBZRZ-UHFFFAOYSA-N 0 0 408.888 3.405 50 0 HGAARN CC[C@H](C)NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCCC3 ZINC000002467582 568772761 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CCOc1ccccc1N1CCN(CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000057688624 568858374 /nfs/dbraw/zinc/85/83/74/568858374.db2.gz RFJWPVXXWJAGRY-UHFFFAOYSA-N 0 0 411.502 3.007 50 0 HGAARN Cc1cc(C(=O)NCCCn2ccc3ccccc32)cc(S(=O)(=O)N(C)C)c1C ZINC000012563680 568859353 /nfs/dbraw/zinc/85/93/53/568859353.db2.gz OYGQZBCCGJULCF-UHFFFAOYSA-N 0 0 413.543 3.329 50 0 HGAARN CCOc1ccc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc1OCC ZINC000003441691 568859538 /nfs/dbraw/zinc/85/95/38/568859538.db2.gz GFGUQOQVMSFZTR-UHFFFAOYSA-N 0 0 403.431 3.297 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000012568471 568861069 /nfs/dbraw/zinc/86/10/69/568861069.db2.gz CSJBUNARHZZTMZ-TWOQFEAHSA-N 0 0 408.564 3.037 50 0 HGAARN Cc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000003203414 568861432 /nfs/dbraw/zinc/86/14/32/568861432.db2.gz OPPYMRDZZJWNSV-IRXDYDNUSA-N 0 0 412.511 3.277 50 0 HGAARN COCCN(CCOC)c1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 ZINC000003529834 568861769 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CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(OC)cc3)nc2c1 ZINC000003252762 568868161 /nfs/dbraw/zinc/86/81/61/568868161.db2.gz QIQVYRIXCFLXFM-UHFFFAOYSA-N 0 0 406.485 3.361 50 0 HGAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)NC(C)C)cc3)ccc12 ZINC000003260269 568868987 /nfs/dbraw/zinc/86/89/87/568868987.db2.gz RAPAWGCYTXLIIB-UHFFFAOYSA-N 0 0 409.438 3.362 50 0 HGAARN COc1cc(OC)c(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1OC ZINC000003260323 568869061 /nfs/dbraw/zinc/86/90/61/568869061.db2.gz VKUJLURIQANQTK-UHFFFAOYSA-N 0 0 415.229 3.210 50 0 HGAARN COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000030521712 568869096 /nfs/dbraw/zinc/86/90/96/568869096.db2.gz ZOEZQBXUJNJDSW-UHFFFAOYSA-N 0 0 404.307 3.118 50 0 HGAARN C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](Cc1nc2ccccc2n1C)c1ccccc1 ZINC000012601280 568870033 /nfs/dbraw/zinc/87/00/33/568870033.db2.gz IWPIGCASDDLTCB-LPHOPBHVSA-N 0 0 416.481 3.385 50 0 HGAARN C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)ccc2N1S(C)(=O)=O ZINC000012601493 568870189 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O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000015344237 568877007 /nfs/dbraw/zinc/87/70/07/568877007.db2.gz OPPQBNNYYMZMRW-UHFFFAOYSA-N 0 0 406.507 3.364 50 0 HGAARN COc1ccc(-c2nnc(SCc3cc(=O)n4ccsc4n3)o2)cc1OC ZINC000003303752 568877148 /nfs/dbraw/zinc/87/71/48/568877148.db2.gz XUZYNPIZVVGVKJ-UHFFFAOYSA-N 0 0 402.457 3.116 50 0 HGAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000012626562 568878658 /nfs/dbraw/zinc/87/86/58/568878658.db2.gz ZBMGWKTXSWPJLP-NRFANRHFSA-N 0 0 420.488 3.239 50 0 HGAARN O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCc1ccc2c(c1)OCO2 ZINC000003317511 568879609 /nfs/dbraw/zinc/87/96/09/568879609.db2.gz SZAKIJUIUOBYQB-UHFFFAOYSA-N 0 0 403.434 3.484 50 0 HGAARN CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc4c(c3)OCO4)nc2c1 ZINC000003320611 568880278 /nfs/dbraw/zinc/88/02/78/568880278.db2.gz RCSSYZIYASZBFX-UHFFFAOYSA-N 0 0 420.468 3.081 50 0 HGAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(O)cc1)C(F)(F)F ZINC000004047841 568880383 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C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)NCc1ccco1 ZINC000006586890 569067775 /nfs/dbraw/zinc/06/77/75/569067775.db2.gz RVLQVZCTCOCCIE-MRXNPFEDSA-N 0 0 416.437 3.389 50 0 HGAARN CCOc1ccc(CCN2Cn3c4ccccc4nc3N(CCO)C2)cc1OCC ZINC000006590338 569068286 /nfs/dbraw/zinc/06/82/86/569068286.db2.gz AGSJYKNNCTVOAZ-UHFFFAOYSA-N 0 0 410.518 3.106 50 0 HGAARN CN(C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000006590638 569068493 /nfs/dbraw/zinc/06/84/93/569068493.db2.gz JMXLHCOMSNXXCJ-INIZCTEOSA-N 0 0 415.540 3.114 50 0 HGAARN CN(C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000006590637 569068494 /nfs/dbraw/zinc/06/84/94/569068494.db2.gz JMXLHCOMSNXXCJ-MRXNPFEDSA-N 0 0 415.540 3.114 50 0 HGAARN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccn3-c3cccnc3)C2)cc1 ZINC000064580515 569068507 /nfs/dbraw/zinc/06/85/07/569068507.db2.gz HWTYLZLRMHNRDY-IBGZPJMESA-N 0 0 418.497 3.050 50 0 HGAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000035962299 569068875 /nfs/dbraw/zinc/06/88/75/569068875.db2.gz JXYOPXBERWLFHN-NRFANRHFSA-N 0 0 409.461 3.380 50 0 HGAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000064597182 569069423 /nfs/dbraw/zinc/06/94/23/569069423.db2.gz KQATYAFWISMUBN-GOSISDBHSA-N 0 0 408.907 3.451 50 0 HGAARN Cc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4)nnc3c2=O)cc1C ZINC000064593574 569069579 /nfs/dbraw/zinc/06/95/79/569069579.db2.gz FLQQANOIUHZUHK-UHFFFAOYSA-N 0 0 423.473 3.367 50 0 HGAARN Cc1ocnc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000089556275 569070211 /nfs/dbraw/zinc/07/02/11/569070211.db2.gz CSFMIVBTJVPYFB-UHFFFAOYSA-N 0 0 411.911 3.131 50 0 HGAARN COc1ccc(-c2nc(NC(=O)c3coc(S(=O)(=O)N(C)C)c3)sc2C)cc1 ZINC000089556196 569070284 /nfs/dbraw/zinc/07/02/84/569070284.db2.gz VOCZOJXWDWGIQW-UHFFFAOYSA-N 0 0 421.500 3.223 50 0 HGAARN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2sc(C)cc2OC)CC1 ZINC000089582242 569070499 /nfs/dbraw/zinc/07/04/99/569070499.db2.gz SQVCTHWZVITSBF-KRWDZBQOSA-N 0 0 422.934 3.391 50 0 HGAARN CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(Cl)cc2C)c1=O ZINC000064604837 569070859 /nfs/dbraw/zinc/07/08/59/569070859.db2.gz WHDVAUKHMIJMAE-UHFFFAOYSA-N 0 0 410.861 3.469 50 0 HGAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccccc2F)c1=O ZINC000064605018 569070911 /nfs/dbraw/zinc/07/09/11/569070911.db2.gz NQULKRLWZHSATG-UHFFFAOYSA-N 0 0 414.824 3.300 50 0 HGAARN CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2cc(C)cc(C)c2)c1=O ZINC000064604903 569070940 /nfs/dbraw/zinc/07/09/40/569070940.db2.gz DIYQNNTYSLBPIC-UHFFFAOYSA-N 0 0 404.470 3.433 50 0 HGAARN COc1ccccc1NC(=O)Cn1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O ZINC000064605220 569071016 /nfs/dbraw/zinc/07/10/16/569071016.db2.gz RTOHJTKYBYLLDQ-UHFFFAOYSA-N 0 0 420.469 3.152 50 0 HGAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CSc1nc(N)n[nH]1 ZINC000006605846 569071174 /nfs/dbraw/zinc/07/11/74/569071174.db2.gz IRVUNVIFLXDYCX-UHFFFAOYSA-N 0 0 417.516 3.331 50 0 HGAARN CCCCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 ZINC000006608692 569071927 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CCc1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000036384701 569159768 /nfs/dbraw/zinc/15/97/68/569159768.db2.gz DJFSHAIRKXEVBI-UHFFFAOYSA-N 0 0 415.921 3.064 50 0 HGAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)Cc4ccccc4OC)C3)n[nH]2)cc1 ZINC000169753891 569160856 /nfs/dbraw/zinc/16/08/56/569160856.db2.gz LKNJOISPYGOUFB-LJQANCHMSA-N 0 0 420.513 3.422 50 0 HGAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4ccc(OC)cc4OC)C3)n[nH]2)cc1 ZINC000169753987 569160883 /nfs/dbraw/zinc/16/08/83/569160883.db2.gz ZQWSHOFQCUSSHS-MRXNPFEDSA-N 0 0 422.485 3.111 50 0 HGAARN Cc1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccccc2Cl)NC1=O ZINC000169758025 569161447 /nfs/dbraw/zinc/16/14/47/569161447.db2.gz QDEPMISOYBIYFD-LJQANCHMSA-N 0 0 411.845 3.164 50 0 HGAARN COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5OC)no4)c3CO2)c1 ZINC000169758475 569161635 /nfs/dbraw/zinc/16/16/35/569161635.db2.gz XJISTFMQRRZLAW-SFHVURJKSA-N 0 0 405.414 3.284 50 0 HGAARN CCOc1ccccc1CNC(=O)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 ZINC000169759863 569161856 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C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3F)ccc2S1 ZINC000065077813 569170721 /nfs/dbraw/zinc/17/07/21/569170721.db2.gz VAWYBWHRZBWKRP-GFCCVEGCSA-N 0 0 422.503 3.451 50 0 HGAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)NCc3cccs3)ccc2S1 ZINC000065077986 569170930 /nfs/dbraw/zinc/17/09/30/569170930.db2.gz MBXDMSRGLRBIOM-GFCCVEGCSA-N 0 0 424.569 3.051 50 0 HGAARN Cc1ccc(-c2noc(CN3CCN(C(=O)N(C)Cc4ccccc4)CC3)n2)cc1 ZINC000036397791 569171035 /nfs/dbraw/zinc/17/10/35/569171035.db2.gz KYLSPFIIWQSJIA-UHFFFAOYSA-N 0 0 405.502 3.415 50 0 HGAARN O=C(NCC(F)(F)F)c1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 ZINC000036397614 569171358 /nfs/dbraw/zinc/17/13/58/569171358.db2.gz ZFTGMKGRQGHWGL-MRXNPFEDSA-N 0 0 409.339 3.250 50 0 HGAARN Cc1nc(N2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc(C(F)(F)F)n1 ZINC000169772446 569171752 /nfs/dbraw/zinc/17/17/52/569171752.db2.gz DRNRSMWNYSYAOR-UHFFFAOYSA-N 0 0 400.351 3.481 50 0 HGAARN CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)s4)ccn3n2)cc1 ZINC000169775884 569172201 /nfs/dbraw/zinc/17/22/01/569172201.db2.gz ALZKFMUYTNEJLY-UHFFFAOYSA-N 0 0 422.510 3.362 50 0 HGAARN O=C(NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccc(F)c(F)c1 ZINC000169775826 569172237 /nfs/dbraw/zinc/17/22/37/569172237.db2.gz MTCYUNSKMWUSNM-UHFFFAOYSA-N 0 0 412.371 3.010 50 0 HGAARN COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 ZINC000169775757 569172243 /nfs/dbraw/zinc/17/22/43/569172243.db2.gz AYSJAAPUQQXVMX-UHFFFAOYSA-N 0 0 416.481 3.218 50 0 HGAARN CCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2ccc(F)c(Cl)c2)n1 ZINC000169776161 569172660 /nfs/dbraw/zinc/17/26/60/569172660.db2.gz WKUJWJZWMVOJTF-UHFFFAOYSA-N 0 0 400.801 3.064 50 0 HGAARN CCCc1noc(-c2cccn3c(CNC(=O)c4cccc5[nH]ccc54)nnc23)n1 ZINC000169776230 569172691 /nfs/dbraw/zinc/17/26/91/569172691.db2.gz IZEKCIKUHSXPHY-UHFFFAOYSA-N 0 0 401.430 3.143 50 0 HGAARN CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000169774531 569172771 /nfs/dbraw/zinc/17/27/71/569172771.db2.gz NHOBIGBLARPSCP-RWGOJESNSA-N 0 0 408.498 3.455 50 0 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HGAARN Cc1nc2onc(-c3ccc(C)c(C)c3)c2c(OCC(=O)NCc2ccccn2)n1 ZINC000065305126 569220380 /nfs/dbraw/zinc/22/03/80/569220380.db2.gz PFYDZDDKDFVQKG-UHFFFAOYSA-N 0 0 403.442 3.300 50 0 HGAARN O=C(c1ccc(F)c(F)c1)N1CCN=C1N1CCN(c2cccc(Cl)c2)CC1 ZINC000065306470 569220557 /nfs/dbraw/zinc/22/05/57/569220557.db2.gz WCZAQUHAWAUTCP-UHFFFAOYSA-N 0 0 404.848 3.252 50 0 HGAARN O=C(c1c(F)cccc1F)N1CCN=C1N1CCN(c2cccc(Cl)c2)CC1 ZINC000065306467 569220572 /nfs/dbraw/zinc/22/05/72/569220572.db2.gz RCJOQSIAZKSNGR-UHFFFAOYSA-N 0 0 404.848 3.252 50 0 HGAARN CCCc1cc(N2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)nc2nnc(CC)n21 ZINC000065312083 569221219 /nfs/dbraw/zinc/22/12/19/569221219.db2.gz RVUOXFNHFRVSPR-KRWDZBQOSA-N 0 0 406.534 3.092 50 0 HGAARN COc1ccc(NC(=O)C2CCN(c3nnc4ccc(Cl)cn43)CC2)c(OC)c1 ZINC000065312492 569222163 /nfs/dbraw/zinc/22/21/63/569222163.db2.gz TYDUWQKWAQALMH-UHFFFAOYSA-N 0 0 415.881 3.255 50 0 HGAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nnc3ccc(Cl)cn32)C1 ZINC000065312945 569222350 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CCNC(=O)CNC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000007241943 569229722 /nfs/dbraw/zinc/22/97/22/569229722.db2.gz CXACDCTXYAPFPL-UHFFFAOYSA-N 0 0 406.558 3.211 50 0 HGAARN CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c1 ZINC000036844474 569229739 /nfs/dbraw/zinc/22/97/39/569229739.db2.gz JCAMSGVNJHTNSQ-UHFFFAOYSA-N 0 0 413.433 3.408 50 0 HGAARN CN(C(=O)CSc1nnc(N)s1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000007253723 569230530 /nfs/dbraw/zinc/23/05/30/569230530.db2.gz PUZSIZFZJZKOPS-KRWDZBQOSA-N 0 0 410.952 3.363 50 0 HGAARN COc1cc(NC(=O)NC[C@H]2Cc3ccccc3O2)ccc1NC(=O)c1cccnc1 ZINC000065475092 569231376 /nfs/dbraw/zinc/23/13/76/569231376.db2.gz JZLJYDIUKYTNLH-GOSISDBHSA-N 0 0 418.453 3.468 50 0 HGAARN CCC(=O)N(c1nnc(SCC(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)s1)C1CC1 ZINC000007310758 569232685 /nfs/dbraw/zinc/23/26/85/569232685.db2.gz YNYPTKVXTSYLFQ-JTQLQIEISA-N 0 0 416.528 3.474 50 0 HGAARN Cn1nc(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc2c1=O ZINC000007313153 569232776 /nfs/dbraw/zinc/23/27/76/569232776.db2.gz ZENNUVSFRRHRIF-OAHLLOKOSA-N 0 0 418.522 3.492 50 0 HGAARN CN(Cc1ccsc1)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000007320171 569233080 /nfs/dbraw/zinc/23/30/80/569233080.db2.gz JGTCCMOVEXHFOM-UHFFFAOYSA-N 0 0 419.506 3.202 50 0 HGAARN COc1cccc([C@@H](NC(=O)c2ccc(-c3cccs3)[nH]c2=O)c2nccn2C)c1 ZINC000065519110 569233516 /nfs/dbraw/zinc/23/35/16/569233516.db2.gz ZFXQTWYNZAZFQS-LJQANCHMSA-N 0 0 420.494 3.365 50 0 HGAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000007328221 569233585 /nfs/dbraw/zinc/23/35/85/569233585.db2.gz RXSABHVEDHPQST-ZIAGYGMSSA-N 0 0 404.308 3.198 50 0 HGAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)nc(C)n3n2)cc1 ZINC000239433784 569234055 /nfs/dbraw/zinc/23/40/55/569234055.db2.gz YLTNNTDDJFHFFP-JXXFODFXSA-N 0 0 421.545 3.370 50 0 HGAARN O[C@H](COc1ccc2ccccc2c1)Cn1nc(N2CCOCC2)sc1=S ZINC000065565709 569234363 /nfs/dbraw/zinc/23/43/63/569234363.db2.gz VYNCXBCYBZKXFM-INIZCTEOSA-N 0 0 403.529 3.104 50 0 HGAARN C[C@@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(F)cc1F ZINC000007346036 569234713 /nfs/dbraw/zinc/23/47/13/569234713.db2.gz USBCDRWXGYFNFN-CYBMUJFWSA-N 0 0 418.469 3.062 50 0 HGAARN C[C@@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccc2c(c1)OCCCO2 ZINC000065552614 569235170 /nfs/dbraw/zinc/23/51/70/569235170.db2.gz LTOIFIXEFJHPNI-MRXNPFEDSA-N 0 0 420.469 3.336 50 0 HGAARN CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(-c2ccccn2)n1 ZINC000252482983 569236733 /nfs/dbraw/zinc/23/67/33/569236733.db2.gz DRSZMILOMUPIBJ-UHFFFAOYSA-N 0 0 418.910 3.217 50 0 in-vitro HGAARN O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000007405996 569236873 /nfs/dbraw/zinc/23/68/73/569236873.db2.gz KQVXNJIRBAMZAM-CYBMUJFWSA-N 0 0 402.299 3.345 50 0 HGAARN Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2nc(C)cc(=O)[nH]2)n1 ZINC000007419202 569237296 /nfs/dbraw/zinc/23/72/96/569237296.db2.gz UWDWFTZCFWSVLS-UHFFFAOYSA-N 0 0 413.437 3.449 50 0 HGAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Br)cc2)[nH]c1=O ZINC000007421872 569237653 /nfs/dbraw/zinc/23/76/53/569237653.db2.gz MEEHWKIIBMXKGU-UHFFFAOYSA-N 0 0 416.279 3.150 50 0 HGAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2Br)[nH]c1=O ZINC000007421861 569237697 /nfs/dbraw/zinc/23/76/97/569237697.db2.gz LYZGGTQSXWPYNO-UHFFFAOYSA-N 0 0 416.279 3.150 50 0 HGAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 ZINC000007425077 569238311 /nfs/dbraw/zinc/23/83/11/569238311.db2.gz RAWQEZAPNFSRLQ-UHFFFAOYSA-N 0 0 410.426 3.487 50 0 HGAARN C[C@@H](C(=O)Nc1cccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)c1)n1cccn1 ZINC000065627153 569239106 /nfs/dbraw/zinc/23/91/06/569239106.db2.gz PSVAFGSUXVEVHH-KXBFYZLASA-N 0 0 405.458 3.208 50 0 HGAARN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000007466610 569239893 /nfs/dbraw/zinc/23/98/93/569239893.db2.gz HLOSGGZRHWMLKU-IBGZPJMESA-N 0 0 409.511 3.117 50 0 HGAARN CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1OCC ZINC000007461038 569239911 /nfs/dbraw/zinc/23/99/11/569239911.db2.gz GPSRANQBHUXYCB-WMZOPIPTSA-N 0 0 405.539 3.049 50 0 HGAARN Cc1c2ccccc2sc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000007466579 569239920 /nfs/dbraw/zinc/23/99/20/569239920.db2.gz WCSJTGRAQPRSTF-UHFFFAOYSA-N 0 0 418.515 3.496 50 0 HGAARN COc1cccc(OC)c1C(=O)Nc1cccc(-n2c(C)nc3ncccc3c2=O)c1 ZINC000007509176 569243603 /nfs/dbraw/zinc/24/36/03/569243603.db2.gz JFBMKLGTWDMKLE-UHFFFAOYSA-N 0 0 416.437 3.359 50 0 HGAARN CC(C)(C)c1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 ZINC000170607761 569244701 /nfs/dbraw/zinc/24/47/01/569244701.db2.gz NPLBTYHUEBTCFN-CYBMUJFWSA-N 0 0 401.488 3.413 50 0 HGAARN C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007525198 569245785 /nfs/dbraw/zinc/24/57/85/569245785.db2.gz JPPLKXBRABSHNU-OAHLLOKOSA-N 0 0 413.971 3.328 50 0 HGAARN O=c1c2c(ncn2Cc2ccccc2F)n(-c2cccc(F)c2)c(=O)n1CC1CC1 ZINC000037279621 569246173 /nfs/dbraw/zinc/24/61/73/569246173.db2.gz UXKSIXQFYVVHPI-UHFFFAOYSA-N 0 0 408.408 3.085 50 0 HGAARN CC(C)n1c(=O)c2c(ncn2Cc2cccc(F)c2)n(-c2ccc(F)c(F)c2)c1=O ZINC000037279849 569246302 /nfs/dbraw/zinc/24/63/02/569246302.db2.gz LMKFUUQXFGEKBT-UHFFFAOYSA-N 0 0 414.387 3.395 50 0 HGAARN CC(C)n1c(=O)c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccc(F)cc2)c1=O ZINC000037279663 569246318 /nfs/dbraw/zinc/24/63/18/569246318.db2.gz JHBAKZCPAOPTLE-UHFFFAOYSA-N 0 0 414.387 3.395 50 0 HGAARN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)n1C1CC1 ZINC000007533837 569246753 /nfs/dbraw/zinc/24/67/53/569246753.db2.gz DYRGZPQUTRKYFN-UHFFFAOYSA-N 0 0 411.487 3.175 50 0 HGAARN O=C(c1csc(Cc2ccccc2)n1)N1CCn2c(Br)cnc2C1 ZINC000170614507 569247130 /nfs/dbraw/zinc/24/71/30/569247130.db2.gz NMFMPPMFFJNCEO-UHFFFAOYSA-N 0 0 403.305 3.349 50 0 HGAARN COc1cccc(C(=O)NCCc2csc(NC(=O)c3cccc(OC)c3)n2)c1 ZINC000170615894 569247378 /nfs/dbraw/zinc/24/73/78/569247378.db2.gz DCGRDQQVONMOMT-UHFFFAOYSA-N 0 0 411.483 3.385 50 0 HGAARN O=C1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)c2ccccc2N1 ZINC000170617527 569248112 /nfs/dbraw/zinc/24/81/12/569248112.db2.gz UIDJYSWDJKKXGW-UHFFFAOYSA-N 0 0 419.659 3.389 50 0 HGAARN COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000170618981 569248347 /nfs/dbraw/zinc/24/83/47/569248347.db2.gz QVRJJZPHCFOYTF-IBGZPJMESA-N 0 0 414.458 3.427 50 0 HGAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000007550814 569249048 /nfs/dbraw/zinc/24/90/48/569249048.db2.gz MSDDMGWUHBASKE-MRXNPFEDSA-N 0 0 414.531 3.271 50 0 HGAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000007550900 569249083 /nfs/dbraw/zinc/24/90/83/569249083.db2.gz CTSIOXQDTDCSHG-UHFFFAOYSA-N 0 0 400.504 3.012 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCCN1Cc2ccccc2C1=O)CC3 ZINC000170625182 569249981 /nfs/dbraw/zinc/24/99/81/569249981.db2.gz LWNYGLLXTONMEZ-UHFFFAOYSA-N 0 0 403.482 3.497 50 0 biogenic HGAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007564702 569250780 /nfs/dbraw/zinc/25/07/80/569250780.db2.gz PGIXWGRHGZQWME-UHFFFAOYSA-N 0 0 402.823 3.295 50 0 HGAARN CCN(CC)C(=S)SCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009882793 569251403 /nfs/dbraw/zinc/25/14/03/569251403.db2.gz DIUMQKSLNJOZAD-UHFFFAOYSA-N 0 0 414.618 3.404 50 0 HGAARN CCOCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 ZINC000071284168 569251960 /nfs/dbraw/zinc/25/19/60/569251960.db2.gz UXEVPSGTPJCESI-FQEVSTJZSA-N 0 0 402.535 3.118 50 0 HGAARN O=C(Nc1nncs1)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000071282820 569252647 /nfs/dbraw/zinc/25/26/47/569252647.db2.gz MALYUXHCOGWWCH-UHFFFAOYSA-N 0 0 408.487 3.145 50 0 HGAARN O=C(COc1ccccc1Cl)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010216350 569253469 /nfs/dbraw/zinc/25/34/69/569253469.db2.gz DAZAWIQOKHXAIF-UHFFFAOYSA-N 0 0 416.861 3.325 50 0 HGAARN CC(=O)N1CCc2c(sc(NC(=O)CCCSc3ccccc3)c2C(N)=O)C1 ZINC000010217830 569253609 /nfs/dbraw/zinc/25/36/09/569253609.db2.gz OUAPYCYIPRIJPE-UHFFFAOYSA-N 0 0 417.556 3.263 50 0 HGAARN COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CSc2ncccn2)cc1=O ZINC000010254880 569254314 /nfs/dbraw/zinc/25/43/14/569254314.db2.gz QXHFKPUXHDMCMF-UHFFFAOYSA-N 0 0 410.499 3.195 50 0 HGAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2nsnc2c1 ZINC000013324572 569254981 /nfs/dbraw/zinc/25/49/81/569254981.db2.gz XJULUMJNSNMNGG-UHFFFAOYSA-N 0 0 421.448 3.471 50 0 HGAARN O=C(CCSc1ccccc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 ZINC000013528630 569255794 /nfs/dbraw/zinc/25/57/94/569255794.db2.gz DDQJFDSRZVVFFI-UHFFFAOYSA-N 0 0 405.527 3.370 50 0 HGAARN O=C([C@@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000013696691 569257102 /nfs/dbraw/zinc/25/71/02/569257102.db2.gz PCOISWLSKQFVIA-SFHVURJKSA-N 0 0 424.881 3.348 50 0 HGAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)C1 ZINC000013790669 569257705 /nfs/dbraw/zinc/25/77/05/569257705.db2.gz HCZNQLOTRBUOBZ-ZDUSSCGKSA-N 0 0 405.501 3.166 50 0 HGAARN O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)Nc1cccc2ncccc21 ZINC000014074494 569258468 /nfs/dbraw/zinc/25/84/68/569258468.db2.gz ACNMHKVYZKBPSI-UHFFFAOYSA-N 0 0 402.498 3.202 50 0 HGAARN C[C@@H](C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3)n1c2ccccc2oc1=O ZINC000014164578 569258759 /nfs/dbraw/zinc/25/87/59/569258759.db2.gz CCLDXAMAPGUYFB-ZDUSSCGKSA-N 0 0 405.406 3.494 50 0 HGAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)NCCc1ccc(Cl)cc1 ZINC000014201341 569258914 /nfs/dbraw/zinc/25/89/14/569258914.db2.gz AQOVHONDRCZFLW-AWEZNQCLSA-N 0 0 412.968 3.233 50 0 HGAARN C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(S(N)(=O)=O)cc1 ZINC000014224979 569259009 /nfs/dbraw/zinc/25/90/09/569259009.db2.gz CVJSNOBMNPUTFR-NSHDSACASA-N 0 0 405.863 3.133 50 0 HGAARN CC(C)(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1nc(-c2nc[nH]n2)no1 ZINC000089642945 569261677 /nfs/dbraw/zinc/26/16/77/569261677.db2.gz JRANUQWDMBRZIX-KRWDZBQOSA-N 0 0 406.446 3.290 50 0 HGAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000014651047 569261805 /nfs/dbraw/zinc/26/18/05/569261805.db2.gz YMKKORONWXXRRL-FQEVSTJZSA-N 0 0 421.497 3.103 50 0 HGAARN CCCCn1c(N)c(N(C)C(=O)c2sc3ccccc3c2Cl)c(=O)[nH]c1=O ZINC000014656652 569261984 /nfs/dbraw/zinc/26/19/84/569261984.db2.gz WZQVDASTIYFRDM-UHFFFAOYSA-N 0 0 406.895 3.064 50 0 HGAARN CC(=O)c1sc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nc1-c1ccccc1 ZINC000014658318 569262142 /nfs/dbraw/zinc/26/21/42/569262142.db2.gz XPNIFURXMCMSAV-GASCZTMLSA-N 0 0 411.483 3.126 50 0 HGAARN COc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c1 ZINC000014666374 569262448 /nfs/dbraw/zinc/26/24/48/569262448.db2.gz LJBGEDMRAVVAJB-CALCHBBNSA-N 0 0 416.543 3.292 50 0 HGAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Oc2cccnc2Br)C1 ZINC000089773177 569263673 /nfs/dbraw/zinc/26/36/73/569263673.db2.gz UYJNZNJHBDXOPN-CQSZACIVSA-N 0 0 421.266 3.370 50 0 HGAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCO2 ZINC000089779508 569263926 /nfs/dbraw/zinc/26/39/26/569263926.db2.gz UMNAGYMHSSCLMI-UHFFFAOYSA-N 0 0 407.392 3.195 50 0 HGAARN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000089781083 569264256 /nfs/dbraw/zinc/26/42/56/569264256.db2.gz HXSPCUQAKWCSPM-UHFFFAOYSA-N 0 0 406.414 3.293 50 0 HGAARN Cc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000016843782 569264987 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3.428 50 0 HGAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1Cl ZINC000253400152 569365545 /nfs/dbraw/zinc/36/55/45/569365545.db2.gz KURUYPBCTGFTTH-OAHLLOKOSA-N 0 0 416.952 3.010 50 0 HGAARN Cn1c2ccccc2nc1[C@@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccccc1 ZINC000253405289 569366049 /nfs/dbraw/zinc/36/60/49/569366049.db2.gz KBCNPHBKPBSXRC-SFHVURJKSA-N 0 0 419.872 3.240 50 0 HGAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000253410653 569366563 /nfs/dbraw/zinc/36/65/63/569366563.db2.gz NNXPXIMLIIVFBP-WKRCXCSHSA-N 0 0 412.559 3.387 50 0 biogenic HGAARN O=C(CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000253410650 569366645 /nfs/dbraw/zinc/36/66/45/569366645.db2.gz NNXPXIMLIIVFBP-UGNRZPKXSA-N 0 0 412.559 3.387 50 0 biogenic HGAARN CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC000253417964 569367428 /nfs/dbraw/zinc/36/74/28/569367428.db2.gz AXYPBZVROXRAIK-RLFYNMQTSA-N 0 0 424.563 3.244 50 0 HGAARN 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/nfs/dbraw/zinc/38/14/50/569381450.db2.gz RMNFOEYXZZLZSH-ZDUSSCGKSA-N 0 0 415.213 3.267 50 0 HGAARN Cc1cc2c3c(c1)C(CSc1nnnn1-c1ccccc1)=CC(C)(C)N3C(=O)C2=O ZINC000253495448 569381927 /nfs/dbraw/zinc/38/19/27/569381927.db2.gz FBOZZIKENLBJAS-UHFFFAOYSA-N 0 0 417.494 3.468 50 0 HGAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1Cl ZINC000002366162 569388217 /nfs/dbraw/zinc/38/82/17/569388217.db2.gz LWZCYOGGJTWYDS-UHFFFAOYSA-N 0 0 407.858 3.191 50 0 HGAARN NC(=O)Cc1csc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)n1 ZINC000253411251 569389016 /nfs/dbraw/zinc/38/90/16/569389016.db2.gz OKBXVAYUOXPYOH-CQSZACIVSA-N 0 0 402.907 3.438 50 0 HGAARN COc1ccc(-c2c3c(cn2Cc2ccc(Cl)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000002377056 569389499 /nfs/dbraw/zinc/38/94/99/569389499.db2.gz PGFRDUGTENWVIP-UHFFFAOYSA-N 0 0 409.873 3.416 50 0 HGAARN CCCSc1nc2sc3c(c2c2nnc(SCC(N)=O)n21)CC(C)(C)OC3 ZINC000002379051 569389757 /nfs/dbraw/zinc/38/97/57/569389757.db2.gz BSIWVLKPAOSQPP-UHFFFAOYSA-N 0 0 423.589 3.270 50 0 HGAARN CC(=O)N[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)C(C)C ZINC000027736706 569392017 /nfs/dbraw/zinc/39/20/17/569392017.db2.gz HWWNFTRLRNOGEX-GOSISDBHSA-N 0 0 423.922 3.240 50 0 HGAARN CCS(=O)(=O)c1ncc(CN(C)Cc2ncccc2C)n1CCc1ccccc1 ZINC000055200153 569393425 /nfs/dbraw/zinc/39/34/25/569393425.db2.gz BGEYYDLPPJSSFL-UHFFFAOYSA-N 0 0 412.559 3.255 50 0 HGAARN COc1cccc(CNC(=O)COC(=O)/C=C/c2cc(Br)ccc2F)c1 ZINC000009985781 569394834 /nfs/dbraw/zinc/39/48/34/569394834.db2.gz GNZIZJXKDHUQAI-VMPITWQZSA-N 0 0 422.250 3.470 50 0 HGAARN CC(C)(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 ZINC000002404733 569395951 /nfs/dbraw/zinc/39/59/51/569395951.db2.gz XBGQGHHFLSCSCE-UYRXBGFRSA-N 0 0 421.497 3.086 50 0 HGAARN CCCc1nc2sc3c(nc(SC)nc3N(CO)CCO)c2c2c1CCC2 ZINC000002413833 569397131 /nfs/dbraw/zinc/39/71/31/569397131.db2.gz WSJCVNKPUABTOZ-UHFFFAOYSA-N 0 0 404.561 3.151 50 0 HGAARN CCOc1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OCC ZINC000002438128 569399955 /nfs/dbraw/zinc/39/99/55/569399955.db2.gz 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ZINC000013010482 569407147 /nfs/dbraw/zinc/40/71/47/569407147.db2.gz HLZURDDGGVAEKW-UHFFFAOYSA-N 0 0 406.467 3.401 50 0 HGAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NC(=O)c1ccccc1OCC ZINC000013010260 569407249 /nfs/dbraw/zinc/40/72/49/569407249.db2.gz DJIOJOXJJHMSCV-UHFFFAOYSA-N 0 0 421.453 3.369 50 0 HGAARN COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013071116 569408531 /nfs/dbraw/zinc/40/85/31/569408531.db2.gz KJNJVATVPITHTD-UHFFFAOYSA-N 0 0 402.516 3.190 50 0 HGAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCCCCC3)c2c1C ZINC000013075379 569408674 /nfs/dbraw/zinc/40/86/74/569408674.db2.gz LOZVWFRBFSNIDW-UHFFFAOYSA-N 0 0 418.563 3.389 50 0 HGAARN Nn1c(SCc2cc(=O)oc3cc(Br)ccc23)nnc1C(F)(F)F ZINC000013095595 569408800 /nfs/dbraw/zinc/40/88/00/569408800.db2.gz YPPAWVAAUBAKNA-UHFFFAOYSA-N 0 0 421.198 3.172 50 0 HGAARN CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1OC ZINC000013097156 569409014 /nfs/dbraw/zinc/40/90/14/569409014.db2.gz LZHDALSZOUGTHE-UHFFFAOYSA-N 0 0 412.895 3.298 50 0 HGAARN CCOC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000013356599 569411440 /nfs/dbraw/zinc/41/14/40/569411440.db2.gz CWKFGKMGRINAJM-UHFFFAOYSA-N 0 0 405.454 3.481 50 0 HGAARN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NCc2cccnc2)C[C@@H](C)O1 ZINC000013361926 569411863 /nfs/dbraw/zinc/41/18/63/569411863.db2.gz OHHVJCSMHVJOFD-HZPDHXFCSA-N 0 0 423.542 3.047 50 0 HGAARN O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)NC1CCCC1 ZINC000013361241 569411917 /nfs/dbraw/zinc/41/19/17/569411917.db2.gz PPISPLJQSQIKBP-UHFFFAOYSA-N 0 0 402.505 3.131 50 0 HGAARN COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4nc(C)sc4n3)cc2)cc1 ZINC000013367943 569412481 /nfs/dbraw/zinc/41/24/81/569412481.db2.gz KJLMAZLEROEXTL-UHFFFAOYSA-N 0 0 422.466 3.299 50 0 HGAARN Cc1c2ccccc2sc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000007959145 569414364 /nfs/dbraw/zinc/41/43/64/569414364.db2.gz RECQHYBWGNRECL-UHFFFAOYSA-N 0 0 406.554 3.418 50 0 HGAARN O=C(CCc1ccccc1Br)N1CCC(O)(Cc2ccncc2)CC1 ZINC000328592157 569415293 /nfs/dbraw/zinc/41/52/93/569415293.db2.gz DJOOCNOZXSRRMK-UHFFFAOYSA-N 0 0 403.320 3.373 50 0 HGAARN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000078714053 569419785 /nfs/dbraw/zinc/41/97/85/569419785.db2.gz HHQNYRHEEQODLX-GHTZIAJQSA-N 0 0 420.575 3.421 50 0 HGAARN NC(=O)N1CC[C@@H](NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000078808904 569420539 /nfs/dbraw/zinc/42/05/39/569420539.db2.gz CTZXMBIQBVLFIK-MJGOQNOKSA-N 0 0 403.935 3.432 50 0 HGAARN CN1N=C(C(=O)Nc2cc(Cl)ccc2C(=O)Nc2ccc(Cl)cn2)CCC1=O ZINC000078877714 569421292 /nfs/dbraw/zinc/42/12/92/569421292.db2.gz GIMIODXHJBCOOM-UHFFFAOYSA-N 0 0 420.256 3.187 50 0 HGAARN COC(=O)[C@H](CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1ccccc1 ZINC000078903468 569421536 /nfs/dbraw/zinc/42/15/36/569421536.db2.gz FGOFAQQMSAGIPK-CYBMUJFWSA-N 0 0 405.369 3.488 50 0 HGAARN Cc1cc(-c2cccc(F)c2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000078903564 569421542 /nfs/dbraw/zinc/42/15/42/569421542.db2.gz FLYSDEVMGVAQCZ-UHFFFAOYSA-N 0 0 423.467 3.491 50 0 HGAARN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000078974657 569422618 /nfs/dbraw/zinc/42/26/18/569422618.db2.gz RCYLTGZDQLXSCE-NGFNCXNUSA-N 0 0 423.494 3.100 50 0 HGAARN C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)[C@H]1CNC(=O)OC(C)(C)C ZINC000078992231 569422999 /nfs/dbraw/zinc/42/29/99/569422999.db2.gz OGZYJNJMEXEZKT-KURKYZTESA-N 0 0 423.598 3.423 50 0 HGAARN Cc1ccccc1OCC(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000079013568 569423668 /nfs/dbraw/zinc/42/36/68/569423668.db2.gz LLIMJHRKKPEIRB-UHFFFAOYSA-N 0 0 406.523 3.296 50 0 HGAARN Cc1cnc(N2CCN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)CC2)s1 ZINC000079017763 569424035 /nfs/dbraw/zinc/42/40/35/569424035.db2.gz KCCNNCZZGOFWPL-UHFFFAOYSA-N 0 0 423.894 3.217 50 0 HGAARN Cc1cc(NC(=O)c2cc(Br)cnc2Cl)n(-c2ccc(C)nn2)n1 ZINC000079026718 569424918 /nfs/dbraw/zinc/42/49/18/569424918.db2.gz LGLJZCKHWIYJMG-UHFFFAOYSA-N 0 0 407.659 3.342 50 0 HGAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000079048807 569425476 /nfs/dbraw/zinc/42/54/76/569425476.db2.gz ULXXYBMROSVLGH-POAQFYNOSA-N 0 0 403.552 3.160 50 0 HGAARN CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000079052515 569425723 /nfs/dbraw/zinc/42/57/23/569425723.db2.gz GJTFGFNDUMKLTN-MLGOLLRUSA-N 0 0 421.291 3.340 50 0 HGAARN Nc1nsc(N2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)CC2)n1 ZINC000079061709 569426296 /nfs/dbraw/zinc/42/62/96/569426296.db2.gz IUIROLZMOHYFKL-UHFFFAOYSA-N 0 0 413.576 3.208 50 0 HGAARN O=C(COc1ccc(Br)cc1F)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000079095273 569427252 /nfs/dbraw/zinc/42/72/52/569427252.db2.gz HFPQEDZGNCFHAX-UHFFFAOYSA-N 0 0 404.239 3.469 50 0 HGAARN CN(c1nc(-c2cccs2)nc2ccccc21)C1CCN(S(C)(=O)=O)CC1 ZINC000079104612 569427608 /nfs/dbraw/zinc/42/76/08/569427608.db2.gz ZWHBPESBVFEMIO-UHFFFAOYSA-N 0 0 402.545 3.219 50 0 HGAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c2c(c1)OCCO2 ZINC000079192916 569429317 /nfs/dbraw/zinc/42/93/17/569429317.db2.gz BZOJOKWSOPEFOE-UWJYYQICSA-N 0 0 424.405 3.029 50 0 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/nfs/dbraw/zinc/05/17/55/571051755.db2.gz ALOMAKLNFJNIKC-UHFFFAOYSA-N 0 0 402.520 3.389 50 0 HGAARN CCOCCCNC(=O)c1sc(-c2nnn(-c3ccc(OC)cc3)c2C)nc1C ZINC000038654979 571052979 /nfs/dbraw/zinc/05/29/79/571052979.db2.gz OOJAZBWRCQJUFN-UHFFFAOYSA-N 0 0 415.519 3.173 50 0 HGAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008477848 571053710 /nfs/dbraw/zinc/05/37/10/571053710.db2.gz PINQCJXXVPILGA-SFHVURJKSA-N 0 0 406.479 3.406 50 0 HGAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O ZINC000008482011 571054963 /nfs/dbraw/zinc/05/49/63/571054963.db2.gz QWMZODIDCFPNJT-LJQANCHMSA-N 0 0 407.804 3.414 50 0 HGAARN Cc1ccc2nc(COC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)cn2c1 ZINC000008482723 571055099 /nfs/dbraw/zinc/05/50/99/571055099.db2.gz GGRXFHAJRWHSON-UHFFFAOYSA-N 0 0 401.488 3.029 50 0 HGAARN COc1cccc(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)c1 ZINC000067257921 571057205 /nfs/dbraw/zinc/05/72/05/571057205.db2.gz NMYCMRBVRFAKQQ-UHFFFAOYSA-N 0 0 411.259 3.402 50 0 HGAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccncc4)ccn3n2)cc1 ZINC000067261041 571059869 /nfs/dbraw/zinc/05/98/69/571059869.db2.gz WGEBTGGOWCZCJS-UHFFFAOYSA-N 0 0 415.497 3.388 50 0 HGAARN NC(=O)C1CCN(c2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)CC1 ZINC000067262687 571061701 /nfs/dbraw/zinc/06/17/01/571061701.db2.gz CLOFFFGQNXFYNH-UHFFFAOYSA-N 0 0 406.877 3.300 50 0 HGAARN COc1cccc2cc(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)oc21 ZINC000038692696 571063141 /nfs/dbraw/zinc/06/31/41/571063141.db2.gz OWHJKJAIOQSSKA-UHFFFAOYSA-N 0 0 400.456 3.406 50 0 HGAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286883 571064904 /nfs/dbraw/zinc/06/49/04/571064904.db2.gz XZYPSCAQJDPRRG-IBGZPJMESA-N 0 0 403.548 3.312 50 0 HGAARN O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1cccc2nonc21 ZINC000008514787 571067806 /nfs/dbraw/zinc/06/78/06/571067806.db2.gz LMPDXDWLWQOZAC-GDNBJRDFSA-N 0 0 412.402 3.427 50 0 HGAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1CCO ZINC000067300527 571073872 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ZINC000044514949 522078311 /nfs/dbraw/zinc/07/83/11/522078311.db2.gz HIYYAWKLQNEKLU-CZUORRHYSA-N 0 0 409.408 3.070 50 0 HGAARN COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3Br)nn2)s1 ZINC000031892702 522124698 /nfs/dbraw/zinc/12/46/98/522124698.db2.gz BJBFQOBFOYIPBM-UHFFFAOYSA-N 0 0 407.249 3.130 50 0 HGAARN COC(=O)c1ccc2c(c1)nc(SCC(F)(F)F)n(C[C@@H]1CCCO1)c2=O ZINC000032778362 522186624 /nfs/dbraw/zinc/18/66/24/522186624.db2.gz QKNCOLVORYUZJO-NSHDSACASA-N 0 0 402.394 3.017 50 0 HGAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000032768316 522222974 /nfs/dbraw/zinc/22/29/74/522222974.db2.gz LCYVLZYLYPDYNS-MRXNPFEDSA-N 0 0 402.516 3.326 50 0 HGAARN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000032808805 522250158 /nfs/dbraw/zinc/25/01/58/522250158.db2.gz ATDNMTPRRPSJGC-ZDUSSCGKSA-N 0 0 417.462 3.146 50 0 HGAARN COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000032727529 522268815 /nfs/dbraw/zinc/26/88/15/522268815.db2.gz YLSPYDRWOGDZAN-UHFFFAOYSA-N 0 0 402.397 3.242 50 0 HGAARN CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000032818194 522288649 /nfs/dbraw/zinc/28/86/49/522288649.db2.gz XIIUUMQTROAEHS-KRWDZBQOSA-N 0 0 424.522 3.345 50 0 HGAARN COc1cc(CN(C)[C@H](C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F ZINC000032751367 522355714 /nfs/dbraw/zinc/35/57/14/522355714.db2.gz XEEGLZVGWXNSCL-FQEVSTJZSA-N 0 0 420.456 3.329 50 0 HGAARN COC(=O)c1sccc1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000009436173 522444481 /nfs/dbraw/zinc/44/44/81/522444481.db2.gz CNHVVBXTVIVULV-UHFFFAOYSA-N 0 0 416.411 3.074 50 0 HGAARN COc1cc(NC(=O)c2csc(Br)c2)ccc1NS(C)(=O)=O ZINC000032818609 522731016 /nfs/dbraw/zinc/73/10/16/522731016.db2.gz QCGQDXLMRLEVLX-UHFFFAOYSA-N 0 0 405.295 3.143 50 0 HGAARN COc1cc(OC)c(C2=CCN(C[C@@H](O)COc3ccccc3F)CC2)c(OC)c1 ZINC000032860412 522790530 /nfs/dbraw/zinc/79/05/30/522790530.db2.gz VIEZWWXPGROTOJ-QGZVFWFLSA-N 0 0 417.477 3.381 50 0 HGAARN COc1cc(OC)c2c(C)c(CC(=O)Nc3nnc(C(C)C)s3)c(=O)oc2c1 ZINC000031813113 522837540 /nfs/dbraw/zinc/83/75/40/522837540.db2.gz XALPMYNCFUOXLM-UHFFFAOYSA-N 0 0 403.460 3.275 50 0 HGAARN COc1cc(OC)cc(C(=O)Nc2cccnc2-n2cc(Br)cn2)c1 ZINC000072403694 522859036 /nfs/dbraw/zinc/85/90/36/522859036.db2.gz ZIUQAERDXQPYKP-UHFFFAOYSA-N 0 0 403.236 3.299 50 0 HGAARN COC(=O)C1=C(C)N(C(C)C)C(=O)[C@]1(NC(=O)CCC1CCCCC1)C(F)(F)F ZINC000020568719 522865920 /nfs/dbraw/zinc/86/59/20/522865920.db2.gz DWOGGPIYDLQSDL-IBGZPJMESA-N 0 0 418.456 3.462 50 0 HGAARN CCc1sc(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)cc1C ZINC000032738754 523076975 /nfs/dbraw/zinc/07/69/75/523076975.db2.gz XDPHKELDZLPNFX-OAHLLOKOSA-N 0 0 423.556 3.437 50 0 HGAARN COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)OCCCO4)n2)c(F)c1 ZINC000044900671 523129304 /nfs/dbraw/zinc/12/93/04/523129304.db2.gz MUISXUCMLJAQRU-UHFFFAOYSA-N 0 0 410.401 3.102 50 0 HGAARN COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)Nc2ccccc2)cc1 ZINC000032093304 523170978 /nfs/dbraw/zinc/17/09/78/523170978.db2.gz BKRREEHIIDATLO-UHFFFAOYSA-N 0 0 421.478 3.076 50 0 HGAARN COCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCCC2)C3=O)s1 ZINC000031811284 523252717 /nfs/dbraw/zinc/25/27/17/523252717.db2.gz SIJRPLGQKKUIEV-UHFFFAOYSA-N 0 0 414.487 3.256 50 0 HGAARN COc1ccc(-n2cnc3cc(C(=O)NCc4ccccc4F)ccc3c2=O)cc1 ZINC000032090743 523340959 /nfs/dbraw/zinc/34/09/59/523340959.db2.gz YIWQZDUVKVRBTO-UHFFFAOYSA-N 0 0 403.413 3.463 50 0 HGAARN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000041157289 523567518 /nfs/dbraw/zinc/56/75/18/523567518.db2.gz YNZIMCUIVOUNKM-NHCUHLMSSA-N 0 0 410.514 3.040 50 0 HGAARN CN(Cc1nn(C)c(Cl)c1Cl)S(=O)(=O)c1ccc(Br)s1 ZINC000020602027 523608568 /nfs/dbraw/zinc/60/85/68/523608568.db2.gz DDZRPNVNOFOCBM-UHFFFAOYSA-N 0 0 419.153 3.372 50 0 HGAARN COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1S(=O)(=O)NC(C)C ZINC000032905705 523608450 /nfs/dbraw/zinc/60/84/50/523608450.db2.gz DRUDTPLKHCVORB-SFHVURJKSA-N 0 0 402.516 3.141 50 0 HGAARN COc1ccc(C(=O)NCc2noc(-c3ccc(Cl)cc3F)n2)c(OC)c1OC ZINC000225662690 523717504 /nfs/dbraw/zinc/71/75/04/523717504.db2.gz SMFIQFHZNNWGNA-UHFFFAOYSA-N 0 0 421.812 3.485 50 0 HGAARN COc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1Br ZINC000045961025 523742744 /nfs/dbraw/zinc/74/27/44/523742744.db2.gz PQKQYRACXLIFJO-UHFFFAOYSA-N 0 0 408.643 3.339 50 0 HGAARN COc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(OC)c4)c3C)ns2)cc1 ZINC000020597799 523762767 /nfs/dbraw/zinc/76/27/67/523762767.db2.gz LGTRICFNHINULC-UHFFFAOYSA-N 0 0 422.470 3.364 50 0 HGAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C12CCCC2 ZINC000032072238 523809050 /nfs/dbraw/zinc/80/90/50/523809050.db2.gz VGHYJLBYPHXGJY-FQEVSTJZSA-N 0 0 418.497 3.122 50 0 HGAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C ZINC000032868823 523856013 /nfs/dbraw/zinc/85/60/13/523856013.db2.gz ZTRBZTWWLQKQRP-HNNXBMFYSA-N 0 0 402.516 3.244 50 0 HGAARN COc1ccc(CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000032797062 523893821 /nfs/dbraw/zinc/89/38/21/523893821.db2.gz QBQFCDIZZRMCHG-UHFFFAOYSA-N 0 0 406.404 3.241 50 0 HGAARN COc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1F ZINC000032375215 523901238 /nfs/dbraw/zinc/90/12/38/523901238.db2.gz JJEAMXMTKHGMDU-IBGZPJMESA-N 0 0 406.885 3.220 50 0 HGAARN COc1ccc(CCNC(=O)CC2CCN(C(=O)c3ccccc3)CC2)c(OC)c1 ZINC000032974130 523955652 /nfs/dbraw/zinc/95/56/52/523955652.db2.gz YDJUZULYZFMGFU-UHFFFAOYSA-N 0 0 410.514 3.305 50 0 biogenic HGAARN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2CC(N)=O)c1 ZINC000032741918 524126515 /nfs/dbraw/zinc/12/65/15/524126515.db2.gz XCTRQTDDLGQDTA-UHFFFAOYSA-N 0 0 409.515 3.086 50 0 HGAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)NCCS4)CC2)c1 ZINC000032943849 524127769 /nfs/dbraw/zinc/12/77/69/524127769.db2.gz LXJGPHKKNSWXPB-UHFFFAOYSA-N 0 0 403.573 3.332 50 0 HGAARN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000032865332 524151829 /nfs/dbraw/zinc/15/18/29/524151829.db2.gz HFCXTDIVFCPQGA-MRXNPFEDSA-N 0 0 421.588 3.135 50 0 HGAARN Cc1ccc(C)c(OCCCn2c(CN3CCOCC3)nc3ccccc3c2=O)c1 ZINC000032741488 524173946 /nfs/dbraw/zinc/17/39/46/524173946.db2.gz KBWLJVBNBPKAPK-UHFFFAOYSA-N 0 0 407.514 3.315 50 0 HGAARN COc1ccccc1-c1nnc2sc(NC(=O)COc3cccc(C)c3C)nn21 ZINC000041076534 524290549 /nfs/dbraw/zinc/29/05/49/524290549.db2.gz ORUOSWGPSBDSJD-UHFFFAOYSA-N 0 0 409.471 3.496 50 0 HGAARN Cc1cc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)c(C)c1 ZINC000020533018 524303172 /nfs/dbraw/zinc/30/31/72/524303172.db2.gz JAGCPABLGPITCO-IBGZPJMESA-N 0 0 407.580 3.383 50 0 HGAARN COc1ccc(N2C[C@@H](c3nc(-c4cccc(C(=O)NC(C)C)c4)no3)CC2=O)cc1 ZINC000040451045 524445063 /nfs/dbraw/zinc/44/50/63/524445063.db2.gz XRJNZGNXVFPIBR-KRWDZBQOSA-N 0 0 420.469 3.404 50 0 HGAARN C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC000028322651 524493670 /nfs/dbraw/zinc/49/36/70/524493670.db2.gz MEMWMEMBCPAPKI-CQSZACIVSA-N 0 0 409.349 3.174 50 0 HGAARN Cc1cccc(N2CCN(C(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)C[C@@H]2C)c1 ZINC000032974651 524547419 /nfs/dbraw/zinc/54/74/19/524547419.db2.gz SGXNYGYOHFCSOL-IBGZPJMESA-N 0 0 418.541 3.367 50 0 HGAARN Cc1cccc(N2C[C@H](C(=O)N(C)Cc3ccccc3N3CCOCC3)CC2=O)c1C ZINC000032772554 524567063 /nfs/dbraw/zinc/56/70/63/524567063.db2.gz AYVXZDUDGLNHIP-OAQYLSRUSA-N 0 0 421.541 3.152 50 0 HGAARN Cc1cccc(N2C[C@H](C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)CC2=O)c1C ZINC000032898900 524568002 /nfs/dbraw/zinc/56/80/02/524568002.db2.gz OKUWTSSWFRVSMN-HXUWFJFHSA-N 0 0 420.509 3.483 50 0 HGAARN Cc1cc(C)n2ncc(C(=O)N3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2n1 ZINC000032426002 524572312 /nfs/dbraw/zinc/57/23/12/524572312.db2.gz VEEIFTAKRORVNJ-UHFFFAOYSA-N 0 0 418.423 3.112 50 0 HGAARN COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(Cc3ccccc3)s2)CC1=O ZINC000031816575 524579294 /nfs/dbraw/zinc/57/92/94/524579294.db2.gz DCCWEUZJXKUQPO-HNNXBMFYSA-N 0 0 408.483 3.129 50 0 HGAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000040486266 524586751 /nfs/dbraw/zinc/58/67/51/524586751.db2.gz OIRIUNLVERQMBX-HXUWFJFHSA-N 0 0 418.457 3.173 50 0 HGAARN Cc1cccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 ZINC000032860138 524651629 /nfs/dbraw/zinc/65/16/29/524651629.db2.gz VPBOISLQEAWGJQ-IRXDYDNUSA-N 0 0 408.502 3.018 50 0 HGAARN COc1ccccc1OCCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000043398288 524675212 /nfs/dbraw/zinc/67/52/12/524675212.db2.gz CCMXKDLHWRLWPW-UHFFFAOYSA-N 0 0 405.882 3.386 50 0 HGAARN C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)sc2C1 ZINC000032795867 524733191 /nfs/dbraw/zinc/73/31/91/524733191.db2.gz DVUNFCAQMZRPBK-CJNGLKHVSA-N 0 0 405.545 3.060 50 0 HGAARN COc1ccc(OC)c2c1cc(C(=O)N1CCN(c3ccccc3OC)CC1)n2C ZINC000072400923 524922592 /nfs/dbraw/zinc/92/25/92/524922592.db2.gz DMHODTXHQTVHPO-UHFFFAOYSA-N 0 0 409.486 3.167 50 0 HGAARN Cc1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)c(C)c1 ZINC000032070208 524958372 /nfs/dbraw/zinc/95/83/72/524958372.db2.gz CEJIFFICWDAOAU-FQEVSTJZSA-N 0 0 420.513 3.132 50 0 HGAARN Cc1ccc(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)cc1 ZINC000032933604 525050360 /nfs/dbraw/zinc/05/03/60/525050360.db2.gz MBVMLWOMWHTXQJ-UHFFFAOYSA-N 0 0 407.923 3.040 50 0 HGAARN 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559163087 /nfs/dbraw/zinc/16/30/87/559163087.db2.gz RDDKXWKSPQDWEU-OAHLLOKOSA-N 0 0 419.275 3.129 50 0 HGAARN Cc1cc2ncn([C@@H]3CC(=O)N(Cc4ccc(N5CCCC5=O)cc4)C3=O)c2cc1C ZINC000100147284 559164286 /nfs/dbraw/zinc/16/42/86/559164286.db2.gz NNLTXDVKHDAIBQ-OAQYLSRUSA-N 0 0 416.481 3.280 50 0 HGAARN O=S(=O)(c1cc2c(cc1Br)OCCO2)N(C1CC1)C1CCCC1 ZINC000060908886 559167007 /nfs/dbraw/zinc/16/70/07/559167007.db2.gz WXOOMMPBCKEMOD-UHFFFAOYSA-N 0 0 402.310 3.316 50 0 HGAARN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1 ZINC000072190869 559167365 /nfs/dbraw/zinc/16/73/65/559167365.db2.gz ONFUVHHTRQHEFE-QGZVFWFLSA-N 0 0 424.526 3.358 50 0 HGAARN COc1cc(NC(=O)[C@@H](C)Sc2nnc(NC[C@@H]3CCCO3)s2)cc(OC)c1 ZINC000014676467 559172126 /nfs/dbraw/zinc/17/21/26/559172126.db2.gz HSRIJTQQVBMGAY-YPMHNXCESA-N 0 0 424.548 3.266 50 0 HGAARN Cc1nc2ncnn2c(N2CCN(C(=O)c3cccs3)CC2)c1Cc1ccccc1 ZINC000023457181 559176240 /nfs/dbraw/zinc/17/62/40/559176240.db2.gz KFDHPYORZMWXJD-UHFFFAOYSA-N 0 0 418.526 3.047 50 0 HGAARN Cc1ccccc1OCCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O ZINC000011689714 559177780 /nfs/dbraw/zinc/17/77/80/559177780.db2.gz FCBDJQQFBJETEL-UHFFFAOYSA-N 0 0 416.499 3.157 50 0 HGAARN COc1ccccc1-n1nnc(-c2nc(-c3ccc(Br)cc3)no2)c1N ZINC000011691837 559185291 /nfs/dbraw/zinc/18/52/91/559185291.db2.gz UQVHRPQNYLQTMG-UHFFFAOYSA-N 0 0 413.235 3.338 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc4c2OCCO4)C(=O)[C@]31C ZINC000011692303 559186302 /nfs/dbraw/zinc/18/63/02/559186302.db2.gz ZYGLZFGWRIHOGN-QHCPKHFHSA-N 0 0 419.437 3.188 50 0 HGAARN CCc1nc(-c2ccc(N3CCN(C(=O)Cc4ccc(OC)cc4)CC3)cc2)no1 ZINC000035552760 559187168 /nfs/dbraw/zinc/18/71/68/559187168.db2.gz KWBMZAXINCNLFJ-UHFFFAOYSA-N 0 0 406.486 3.199 50 0 HGAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000011694067 559187958 /nfs/dbraw/zinc/18/79/58/559187958.db2.gz NOCWAQQQKVVWHI-UHFFFAOYSA-N 0 0 411.889 3.375 50 0 HGAARN COc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)c(OC)c1 ZINC000072403286 559190132 /nfs/dbraw/zinc/19/01/32/559190132.db2.gz BPGXTPZVDVIUPV-UHFFFAOYSA-N 0 0 416.437 3.109 50 0 HGAARN CCc1cccc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)c1 ZINC000004852516 559191436 /nfs/dbraw/zinc/19/14/36/559191436.db2.gz TUABTIXVRNNHQH-UHFFFAOYSA-N 0 0 400.280 3.486 50 0 HGAARN COc1ccccc1-n1ccnc(SCC(=O)Nc2ccc(F)cc2F)c1=O ZINC000004853160 559191607 /nfs/dbraw/zinc/19/16/07/559191607.db2.gz OWCZWZIVSDLREG-UHFFFAOYSA-N 0 0 403.410 3.250 50 0 HGAARN O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NCc1ccc(F)cc1 ZINC000004853384 559191690 /nfs/dbraw/zinc/19/16/90/559191690.db2.gz FOGWYDBCOFBKGA-UHFFFAOYSA-N 0 0 405.401 3.058 50 0 HGAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1cccc(C)c1 ZINC000004853582 559192046 /nfs/dbraw/zinc/19/20/46/559192046.db2.gz QXCMUXZHZVPDTN-UHFFFAOYSA-N 0 0 421.453 3.044 50 0 HGAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cccc(C)c1C ZINC000004853588 559192055 /nfs/dbraw/zinc/19/20/55/559192055.db2.gz KQTQARPWJVIATH-UHFFFAOYSA-N 0 0 421.453 3.044 50 0 HGAARN NS(=O)(=O)c1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 ZINC000004901800 559199991 /nfs/dbraw/zinc/19/99/91/559199991.db2.gz GELNEBWCSRACJE-UHFFFAOYSA-N 0 0 401.451 3.283 50 0 HGAARN O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)NCc1ccccc1 ZINC000004904429 559200455 /nfs/dbraw/zinc/20/04/55/559200455.db2.gz XXQCGLRICFWTMY-UHFFFAOYSA-N 0 0 404.542 3.189 50 0 HGAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)n(-c2cccc(C)c2)c1=O ZINC000004905150 559200515 /nfs/dbraw/zinc/20/05/15/559200515.db2.gz JAVRXAZZGBRFJH-SFHVURJKSA-N 0 0 405.498 3.252 50 0 HGAARN COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 ZINC000004907105 559200623 /nfs/dbraw/zinc/20/06/23/559200623.db2.gz OJOLANYYKSSAGR-AQTBWJFISA-N 0 0 408.454 3.207 50 0 biogenic HGAARN COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1OC ZINC000004905340 559200659 /nfs/dbraw/zinc/20/06/59/559200659.db2.gz KIPRZEYIVCOUHF-UHFFFAOYSA-N 0 0 406.413 3.357 50 0 HGAARN Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004908495 559201122 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CCOC(=O)N1CCN(C(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)CC1 ZINC000004939335 559211802 /nfs/dbraw/zinc/21/18/02/559211802.db2.gz NIVXRDBNJFHACJ-UHFFFAOYSA-N 0 0 400.456 3.230 50 0 HGAARN Cc1cn2c3c(nc2n1C(C)C)n(C)c(=O)n(Cc1cccc2ccccc21)c3=O ZINC000004940401 559212552 /nfs/dbraw/zinc/21/25/52/559212552.db2.gz XACNKQVEHHPEHS-UHFFFAOYSA-N 0 0 401.470 3.240 50 0 HGAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc2c(c1)OCO2 ZINC000004943830 559214443 /nfs/dbraw/zinc/21/44/43/559214443.db2.gz HKQSOQUWSCVUQF-UHFFFAOYSA-N 0 0 411.414 3.145 50 0 HGAARN COc1cc(/C=C\C(=O)OCC(=O)NCCc2ccccc2)ccc1OC(F)F ZINC000097653154 559219477 /nfs/dbraw/zinc/21/94/77/559219477.db2.gz GOKVRKDOIKBXJJ-NTMALXAHSA-N 0 0 405.397 3.212 50 0 HGAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cccc(C)c3)cc2C[C@@H]1C ZINC000004971590 559220602 /nfs/dbraw/zinc/22/06/02/559220602.db2.gz VPZFJUIWRPJQDO-INIZCTEOSA-N 0 0 414.527 3.485 50 0 HGAARN CCCC[C@H](CC)CNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000004971641 559220706 /nfs/dbraw/zinc/22/07/06/559220706.db2.gz UICNFRZCIQFULZ-KRWDZBQOSA-N 0 0 408.564 3.092 50 0 HGAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(C)c3)ccc21 ZINC000004971624 559220713 /nfs/dbraw/zinc/22/07/13/559220713.db2.gz PZPKRNWGTABFCY-UHFFFAOYSA-N 0 0 400.500 3.015 50 0 HGAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3)ccc21 ZINC000004971663 559220833 /nfs/dbraw/zinc/22/08/33/559220833.db2.gz LFPXOPZUIDRHRO-UHFFFAOYSA-N 0 0 420.918 3.442 50 0 HGAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000004971729 559220880 /nfs/dbraw/zinc/22/08/80/559220880.db2.gz VOIQIWKCYHJPBP-UHFFFAOYSA-N 0 0 416.528 3.039 50 0 HGAARN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2S[C@@H](C)C(N)=O)cc1 ZINC000097653182 559225882 /nfs/dbraw/zinc/22/58/82/559225882.db2.gz GCZRKBOEMWVXNW-WFSQQTBHSA-N 0 0 409.467 3.074 50 0 HGAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)c1 ZINC000005005573 559227161 /nfs/dbraw/zinc/22/71/61/559227161.db2.gz HCUCNRKKHBZIBP-AWEZNQCLSA-N 0 0 416.528 3.039 50 0 HGAARN Cc1ccc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000005025708 559230165 /nfs/dbraw/zinc/23/01/65/559230165.db2.gz UHCCNVAJOSCQAE-IRXDYDNUSA-N 0 0 407.557 3.348 50 0 HGAARN CCNC(=O)C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1sccc1C ZINC000005028473 559230467 /nfs/dbraw/zinc/23/04/67/559230467.db2.gz JUIOHWQJLXCJSK-MRXNPFEDSA-N 0 0 403.479 3.102 50 0 HGAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)N3CCC(C)CC3)C(C)C)cc2s1 ZINC000005028664 559231042 /nfs/dbraw/zinc/23/10/42/559231042.db2.gz JDUUBIPAKRPUHA-GOSISDBHSA-N 0 0 409.577 3.166 50 0 aggregator HGAARN Cc1cccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000005046871 559236707 /nfs/dbraw/zinc/23/67/07/559236707.db2.gz VWVCJTWCTRKSJQ-GOSISDBHSA-N 0 0 407.919 3.243 50 0 HGAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NC3CCCCC3)c(C)o2)cc1OC ZINC000005058270 559238513 /nfs/dbraw/zinc/23/85/13/559238513.db2.gz DSAATGPPJJCGNR-GDLZYMKVSA-N 0 0 420.531 3.365 50 0 HGAARN CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000011708641 559240542 /nfs/dbraw/zinc/24/05/42/559240542.db2.gz AHXORHHGDIGKJO-UHFFFAOYSA-N 0 0 424.379 3.235 50 0 HGAARN CCOc1ccc(N(C(=O)[C@@H](C)Oc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000005070933 559241320 /nfs/dbraw/zinc/24/13/20/559241320.db2.gz ZJDPFBYMXUWDTH-AEFFLSMTSA-N 0 0 401.484 3.197 50 0 HGAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)c1ccc(OC)cc1 ZINC000005071572 559241494 /nfs/dbraw/zinc/24/14/94/559241494.db2.gz VQDWSKCTRBJBIV-LBPRGKRZSA-N 0 0 419.528 3.076 50 0 HGAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(F)c(F)c2)CS(=O)(=O)C3)c1 ZINC000005078053 559241975 /nfs/dbraw/zinc/24/19/75/559241975.db2.gz URNZJRAHEMGPPX-UHFFFAOYSA-N 0 0 403.410 3.140 50 0 HGAARN CCCNC(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(OC)cc1 ZINC000005084823 559242453 /nfs/dbraw/zinc/24/24/53/559242453.db2.gz VZWYQBIUECXXCG-INIZCTEOSA-N 0 0 417.579 3.441 50 0 HGAARN CCOc1ccc(C(=O)N(c2ccc(OC)cc2OC)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000005080850 559242615 /nfs/dbraw/zinc/24/26/15/559242615.db2.gz UOWSRVQIGMXJFY-INIZCTEOSA-N 0 0 417.483 3.060 50 0 HGAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc(C(=O)OC)o1 ZINC000005106678 559245988 /nfs/dbraw/zinc/24/59/88/559245988.db2.gz YDZNDWYSNJDABT-UHFFFAOYSA-N 0 0 413.455 3.196 50 0 HGAARN CCc1nn(CC(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2cc3sccc3n21 ZINC000005108914 559246726 /nfs/dbraw/zinc/24/67/26/559246726.db2.gz XBZJQVMWCCRVHF-MRXNPFEDSA-N 0 0 406.511 3.467 50 0 HGAARN COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)o1 ZINC000005129988 559249334 /nfs/dbraw/zinc/24/93/34/559249334.db2.gz WBNJIAXFCSKQCF-UHFFFAOYSA-N 0 0 400.391 3.332 50 0 HGAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCC(C)CC1 ZINC000005129735 559249338 /nfs/dbraw/zinc/24/93/38/559249338.db2.gz WBMYFZAZAINJIH-DLBZAZTESA-N 0 0 415.559 3.315 50 0 HGAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)Nc1cccc(OCC[NH+]2CCCC2)c1 ZINC000409413834 559250730 /nfs/dbraw/zinc/25/07/30/559250730.db2.gz FFTDOKZICUIBPJ-UHFFFAOYSA-N 0 0 422.481 3.463 50 0 biogenic HGAARN COc1ccc2[nH]c(C(=O)Nc3cccc(OCCN4CCOCC4)c3)c(C)c2c1 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CCCN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000004513705 568919725 /nfs/dbraw/zinc/91/97/25/568919725.db2.gz USCKTRTUPXPABL-LJQANCHMSA-N 0 0 412.317 3.409 50 0 HGAARN COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000003615072 568920223 /nfs/dbraw/zinc/92/02/23/568920223.db2.gz FESFVXXMUADWOM-UHFFFAOYSA-N 0 0 410.495 3.450 50 0 HGAARN O=C(c1cccnc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 ZINC000003654015 568922786 /nfs/dbraw/zinc/92/27/86/568922786.db2.gz WHHYZUURBYCSJK-UHFFFAOYSA-N 0 0 412.448 3.285 50 0 HGAARN CC(=O)OCc1c(C(F)(F)F)nn(C)c1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000001391504 568924567 /nfs/dbraw/zinc/92/45/67/568924567.db2.gz CPVHFSYMDRHQJD-UHFFFAOYSA-N 0 0 410.801 3.129 50 0 HGAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CCOc1ccc(C)cc1 ZINC000012737713 568925435 /nfs/dbraw/zinc/92/54/35/568925435.db2.gz PAOXUIWAASPMEZ-HSZRJFAPSA-N 0 0 404.514 3.349 50 0 HGAARN COc1ccc(COC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001398508 568925832 /nfs/dbraw/zinc/92/58/32/568925832.db2.gz QBQHJVSZCKYVQV-UHFFFAOYSA-N 0 0 417.405 3.223 50 0 HGAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc(-n2cnnn2)c1 ZINC000012740102 568927055 /nfs/dbraw/zinc/92/70/55/568927055.db2.gz RHRRBFYXDRHGAG-UHFFFAOYSA-N 0 0 414.473 3.208 50 0 HGAARN Cc1ccc([C@](O)(CCNC(=O)c2cnn(Cc3ccccc3)c2)C(F)(F)F)o1 ZINC000031570617 568928265 /nfs/dbraw/zinc/92/82/65/568928265.db2.gz NAWJYSKCLSVGSS-LJQANCHMSA-N 0 0 407.392 3.403 50 0 HGAARN Cc1cccn2c(=O)cc(CN3C(=O)N[C@](C)(c4cccc5ccccc54)C3=O)nc12 ZINC000031632891 568928813 /nfs/dbraw/zinc/92/88/13/568928813.db2.gz QNKGKUKILACGPW-XMMPIXPASA-N 0 0 412.449 3.123 50 0 HGAARN Cc1nc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)sc1SCC(N)=O ZINC000031798478 568931337 /nfs/dbraw/zinc/93/13/37/568931337.db2.gz MOIFFIHIHIBVPL-UHFFFAOYSA-N 0 0 413.528 3.344 50 0 HGAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000004026639 568934060 /nfs/dbraw/zinc/93/40/60/568934060.db2.gz MAJMGGUCFHNDIV-QGZVFWFLSA-N 0 0 404.507 3.115 50 0 biogenic HGAARN Cc1sc(-n2cccc2)c(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1C ZINC000084062010 568934746 /nfs/dbraw/zinc/93/47/46/568934746.db2.gz GCPRJMMSZQBWTK-SJORKVTESA-N 0 0 402.516 3.482 50 0 HGAARN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000084077209 568936055 /nfs/dbraw/zinc/93/60/55/568936055.db2.gz VJRQCHPETJVZSP-SFHVURJKSA-N 0 0 406.841 3.335 50 0 HGAARN CCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(C)c1 ZINC000004057360 568936684 /nfs/dbraw/zinc/93/66/84/568936684.db2.gz VFIZUXWCLDZLDI-UHFFFAOYSA-N 0 0 407.514 3.259 50 0 HGAARN CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004083573 568939365 /nfs/dbraw/zinc/93/93/65/568939365.db2.gz WAFWZVAYLWXGLG-JHHSESFBSA-N 0 0 406.563 3.499 50 0 biogenic HGAARN Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)c1 ZINC000012753250 568942285 /nfs/dbraw/zinc/94/22/85/568942285.db2.gz ZLHFZFBEKDCZQO-UHFFFAOYSA-N 0 0 410.923 3.144 50 0 HGAARN COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@@](=O)C2 ZINC000004106223 568943203 /nfs/dbraw/zinc/94/32/03/568943203.db2.gz YVGZRIVTAVDEEN-GDLZYMKVSA-N 0 0 411.483 3.213 50 0 HGAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012758856 568943582 /nfs/dbraw/zinc/94/35/82/568943582.db2.gz DLTLGESAUKWAIP-UHFFFAOYSA-N 0 0 422.934 3.453 50 0 HGAARN CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000012757202 568944325 /nfs/dbraw/zinc/94/43/25/568944325.db2.gz ZSGWSPHELJKOIQ-HZPDHXFCSA-N 0 0 418.515 3.136 50 0 HGAARN COc1ccc(C(=O)N(c2cccc(Cl)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000004165241 568947895 /nfs/dbraw/zinc/94/78/95/568947895.db2.gz WONRXIJCWHFTPO-OAHLLOKOSA-N 0 0 407.875 3.315 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000012765515 568948122 /nfs/dbraw/zinc/94/81/22/568948122.db2.gz AKHYVLFCMAJLIW-JSGCOSHPSA-N 0 0 412.861 3.441 50 0 HGAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012767293 568949220 /nfs/dbraw/zinc/94/92/20/568949220.db2.gz UTOPUXOAPIFWQK-FQEVSTJZSA-N 0 0 401.825 3.417 50 0 HGAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000004183495 568949708 /nfs/dbraw/zinc/94/97/08/568949708.db2.gz YGKFEMUWUIIULE-OAHLLOKOSA-N 0 0 413.948 3.305 50 0 HGAARN CCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004183166 568949552 /nfs/dbraw/zinc/94/95/52/568949552.db2.gz WMSHLYWXQWIJDO-FQEVSTJZSA-N 0 0 401.528 3.477 50 0 HGAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1I ZINC000012767963 568949614 /nfs/dbraw/zinc/94/96/14/568949614.db2.gz QZLYROLAURXFRO-UHFFFAOYSA-N 0 0 406.223 3.436 50 0 HGAARN Cc1cc(C)c(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000004183437 568949695 /nfs/dbraw/zinc/94/96/95/568949695.db2.gz HHWXDFLUAABZCP-QGZVFWFLSA-N 0 0 407.557 3.268 50 0 HGAARN CC(C)CCC[C@H](C)NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000012768926 568950260 /nfs/dbraw/zinc/95/02/60/568950260.db2.gz FWWBFJAKGRDKLC-ZDUSSCGKSA-N 0 0 416.349 3.170 50 0 HGAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000084525628 568950422 /nfs/dbraw/zinc/95/04/22/568950422.db2.gz RDCRVQLNRFADHQ-UDDWMFPDSA-N 0 0 424.570 3.146 50 0 HGAARN COc1ccc(C(=O)N(Cc2cccc(OS(C)(=O)=O)c2)C(C)C)c(OC)c1 ZINC000004198673 568951333 /nfs/dbraw/zinc/95/13/33/568951333.db2.gz MALIHALMOCPSDS-UHFFFAOYSA-N 0 0 407.488 3.093 50 0 HGAARN O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000084598289 568952016 /nfs/dbraw/zinc/95/20/16/568952016.db2.gz CZTIVEWKKMEVTH-SFHVURJKSA-N 0 0 401.553 3.376 50 0 HGAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)o1 ZINC000012772997 568952590 /nfs/dbraw/zinc/95/25/90/568952590.db2.gz JHKHMSAZQXXEMH-RDJZCZTQSA-N 0 0 420.506 3.008 50 0 HGAARN COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1 ZINC000012774261 568953437 /nfs/dbraw/zinc/95/34/37/568953437.db2.gz FEHGEDMQNJXZNF-UHFFFAOYSA-N 0 0 419.481 3.230 50 0 HGAARN C[C@H](OC(=O)CCn1c2ccccc2oc1=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000084636474 568953901 /nfs/dbraw/zinc/95/39/01/568953901.db2.gz HNPJULNIDANCJT-LSDHHAIUSA-N 0 0 404.463 3.316 50 0 HGAARN Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O ZINC000004249179 568954111 /nfs/dbraw/zinc/95/41/11/568954111.db2.gz HSCWEEFKDDWAQX-INIZCTEOSA-N 0 0 415.497 3.041 50 0 HGAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4C3CCCCC3)n(C)c2=O)c1 ZINC000004249353 568954121 /nfs/dbraw/zinc/95/41/21/568954121.db2.gz DXHZZMDLESQLLR-QGZVFWFLSA-N 0 0 421.545 3.042 50 0 HGAARN COc1cccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)c1 ZINC000004250046 568954446 /nfs/dbraw/zinc/95/44/46/568954446.db2.gz MRYBREULWSCRRM-UHFFFAOYSA-N 0 0 407.455 3.236 50 0 HGAARN Cc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1)c3=O ZINC000004249517 568954455 /nfs/dbraw/zinc/95/44/55/568954455.db2.gz FRKMXLKUBBUQSM-INIZCTEOSA-N 0 0 415.497 3.041 50 0 HGAARN Cc1nc(C(=O)NCC(=O)Nc2cccc(Cl)c2C)nn1-c1ccc(F)cc1 ZINC000012775975 568954614 /nfs/dbraw/zinc/95/46/14/568954614.db2.gz LZOJLEDVFXOZAT-UHFFFAOYSA-N 0 0 401.829 3.045 50 0 HGAARN Cc1cn2c3c(nc2n1C1CCCCC1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000004250699 568954779 /nfs/dbraw/zinc/95/47/79/568954779.db2.gz LZDKJPNOZFTRAV-UHFFFAOYSA-N 0 0 405.502 3.206 50 0 HGAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nncn2C)cc1 ZINC000004263096 568955856 /nfs/dbraw/zinc/95/58/56/568955856.db2.gz SUZTVLRQUVZQNG-INIZCTEOSA-N 0 0 413.528 3.355 50 0 HGAARN O=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc2c(c1)CCCC2 ZINC000004270254 568956566 /nfs/dbraw/zinc/95/65/66/568956566.db2.gz CMBJJXPWYYWZJI-UHFFFAOYSA-N 0 0 405.483 3.471 50 0 HGAARN COc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)cc1 ZINC000004270528 568956738 /nfs/dbraw/zinc/95/67/38/568956738.db2.gz KYDSTHYHHCIDRB-UHFFFAOYSA-N 0 0 407.451 3.400 50 0 HGAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 ZINC000004271973 568957189 /nfs/dbraw/zinc/95/71/89/568957189.db2.gz TWWBMACVBQUAHD-UHFFFAOYSA-N 0 0 421.453 3.060 50 0 HGAARN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)c1 ZINC000012780587 568957399 /nfs/dbraw/zinc/95/73/99/568957399.db2.gz XQIUCEFRIVTSIX-JOCHJYFZSA-N 0 0 409.530 3.491 50 0 HGAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000004275149 568958057 /nfs/dbraw/zinc/95/80/57/568958057.db2.gz NWMFPAGVFWZOBV-UHFFFAOYSA-N 0 0 412.298 3.311 50 0 HGAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000012783991 568958954 /nfs/dbraw/zinc/95/89/54/568958954.db2.gz LHYFDRGQCOXOGD-KBXCAEBGSA-N 0 0 422.934 3.288 50 0 HGAARN Cn1c2ncn(Cc3ccccc3)c2c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000004284922 568958984 /nfs/dbraw/zinc/95/89/84/568958984.db2.gz JLGIWOHNZXNFHN-UHFFFAOYSA-N 0 0 414.387 3.012 50 0 biogenic HGAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 ZINC000012783519 568958973 /nfs/dbraw/zinc/95/89/73/568958973.db2.gz LAFDFCSACUHLBD-OKILXGFUSA-N 0 0 404.511 3.129 50 0 HGAARN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(OC)cc2)c1C ZINC000084794473 568959838 /nfs/dbraw/zinc/95/98/38/568959838.db2.gz ZOMPVTWOHPXOSZ-QGZVFWFLSA-N 0 0 406.504 3.343 50 0 HGAARN CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)O[C@H](C)C2 ZINC000012786073 568960070 /nfs/dbraw/zinc/96/00/70/568960070.db2.gz VYXPIYNAUBUJRU-GFCCVEGCSA-N 0 0 423.918 3.396 50 0 HGAARN O=C(NCc1cccs1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000004305675 568960277 /nfs/dbraw/zinc/96/02/77/568960277.db2.gz INRIOJUJWBWJJV-GOSISDBHSA-N 0 0 411.552 3.346 50 0 HGAARN COc1ccccc1CN(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000012787113 568960384 /nfs/dbraw/zinc/96/03/84/568960384.db2.gz NEWIOCZYJXEUFT-UHFFFAOYSA-N 0 0 411.527 3.463 50 0 HGAARN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@@H]3c3cccc(F)c3)cc21 ZINC000015671079 568961606 /nfs/dbraw/zinc/96/16/06/568961606.db2.gz NHKHUYZVAVQPAS-GOSISDBHSA-N 0 0 404.463 3.097 50 0 HGAARN CCOC(=O)C1CCC(CNC(=O)Nc2nnc(N3CCCC[C@@H]3C)s2)CC1 ZINC000015671734 568962042 /nfs/dbraw/zinc/96/20/42/568962042.db2.gz YZSUBXYUTGLAKD-NFOMZHRRSA-N 0 0 409.556 3.408 50 0 HGAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc(Cl)c1C ZINC000007978476 568963164 /nfs/dbraw/zinc/96/31/64/568963164.db2.gz REWRYVMPEHEVBL-UHFFFAOYSA-N 0 0 424.954 3.381 50 0 HGAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000007978349 568963240 /nfs/dbraw/zinc/96/32/40/568963240.db2.gz WRKUTMYKZCPHBK-UHFFFAOYSA-N 0 0 406.486 3.331 50 0 HGAARN C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000007985658 568964296 /nfs/dbraw/zinc/96/42/96/568964296.db2.gz DVGWHVGINPHMAE-HNNXBMFYSA-N 0 0 422.572 3.421 50 0 HGAARN O=C(N[C@H]1CCSc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000007985122 568964299 /nfs/dbraw/zinc/96/42/99/568964299.db2.gz WRQDXYUHUANJEM-IBGZPJMESA-N 0 0 416.568 3.441 50 0 HGAARN CC(C)[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc2c(c1)OCCCO2 ZINC000007985599 568964314 /nfs/dbraw/zinc/96/43/14/568964314.db2.gz YQQCKFWQVBCTMS-HXUWFJFHSA-N 0 0 403.500 3.379 50 0 HGAARN COc1cccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000007990924 568967232 /nfs/dbraw/zinc/96/72/32/568967232.db2.gz PQUZSVXDKWTRNW-UHFFFAOYSA-N 0 0 404.470 3.469 50 0 HGAARN COc1ccccc1C(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000015680753 568967616 /nfs/dbraw/zinc/96/76/16/568967616.db2.gz NPIYNHOTYWSOFB-UHFFFAOYSA-N 0 0 424.888 3.337 50 0 HGAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000008009625 568967953 /nfs/dbraw/zinc/96/79/53/568967953.db2.gz LEWJPLGSOQBJRQ-UHFFFAOYSA-N 0 0 404.514 3.494 50 0 HGAARN CCOc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)sc2c1 ZINC000008023697 568969048 /nfs/dbraw/zinc/96/90/48/568969048.db2.gz PHYXXEPRYSCGQL-UHFFFAOYSA-N 0 0 405.501 3.198 50 0 HGAARN Cn1nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ccccc2c1=O ZINC000008036479 568969750 /nfs/dbraw/zinc/96/97/50/568969750.db2.gz SEYBPERUOMUNGB-SFHVURJKSA-N 0 0 405.454 3.072 50 0 HGAARN C[C@@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cccs1 ZINC000008036348 568969789 /nfs/dbraw/zinc/96/97/89/568969789.db2.gz GFENTKILMREEEO-MRXNPFEDSA-N 0 0 419.506 3.421 50 0 HGAARN CSc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000008049168 568970699 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C[C@@H](Oc1ccccc1Br)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000089420049 569060094 /nfs/dbraw/zinc/06/00/94/569060094.db2.gz NDYPECIGOHEYRX-CQSZACIVSA-N 0 0 403.276 3.045 50 0 HGAARN COc1ccc(C=NN=c2nc3[nH]onc-3nc2Nc2ccc(F)cc2)cc1OC ZINC000252592269 569060509 /nfs/dbraw/zinc/06/05/09/569060509.db2.gz BEKASOCAXGLAJY-UHFFFAOYSA-N 0 0 409.381 3.359 50 0 HGAARN COc1cccc(-c2nnc(SCCc3nnc(N)s3)n2Cc2ccco2)c1 ZINC000089471397 569061003 /nfs/dbraw/zinc/06/10/03/569061003.db2.gz NPOJUKIPIOLLOS-UHFFFAOYSA-N 0 0 414.516 3.364 50 0 HGAARN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000016634556 569061081 /nfs/dbraw/zinc/06/10/81/569061081.db2.gz OJAYVHTTWDPGRH-GFCCVEGCSA-N 0 0 423.391 3.332 50 0 HGAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)NCCc1c[nH]c2ccccc12 ZINC000012296340 569061493 /nfs/dbraw/zinc/06/14/93/569061493.db2.gz OSWFCCDQLURUCK-UHFFFAOYSA-N 0 0 415.497 3.076 50 0 biogenic HGAARN CCCN(Cc1cc(=O)n2ccc(C)cc2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000035828484 569061631 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3.496 50 0 HGAARN Cc1ccc(NC(=O)CCCc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 ZINC000064591382 569069289 /nfs/dbraw/zinc/06/92/89/569069289.db2.gz DSXSVEXIGVYZLI-UHFFFAOYSA-N 0 0 405.433 3.289 50 0 HGAARN Cc1cccc(NC(=O)CSc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c1 ZINC000064592981 569069461 /nfs/dbraw/zinc/06/94/61/569069461.db2.gz IAENNMDNJGXKON-UHFFFAOYSA-N 0 0 409.446 3.059 50 0 HGAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCc4c5ccccc5[nH]c4C3)C2=O)cc1 ZINC000100791742 569069857 /nfs/dbraw/zinc/06/98/57/569069857.db2.gz SYJRUTHNXVOTFP-NRFANRHFSA-N 0 0 417.465 3.035 50 0 biogenic HGAARN COc1ccc(CCN2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1OC ZINC000026989191 569070009 /nfs/dbraw/zinc/07/00/09/569070009.db2.gz DJDAASPLOBWYBH-QGZVFWFLSA-N 0 0 416.905 3.065 50 0 HGAARN Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(C)n1Cc1ccccn1 ZINC000089577947 569070414 /nfs/dbraw/zinc/07/04/14/569070414.db2.gz AEEMXFTYNCXEOX-PGRDOPGGSA-N 0 0 406.530 3.164 50 0 HGAARN COc1cccc(CN(C)C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000006602925 569070463 /nfs/dbraw/zinc/07/04/63/569070463.db2.gz CSQVDQDWCDNKQZ-NRFANRHFSA-N 0 0 418.559 3.355 50 0 HGAARN O=C(C[C@H]1CCS(=O)(=O)C1)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004425994 569071303 /nfs/dbraw/zinc/07/13/03/569071303.db2.gz GJBHWGGBLSBFBP-CYBMUJFWSA-N 0 0 407.875 3.323 50 0 HGAARN O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004553267 569071353 /nfs/dbraw/zinc/07/13/53/569071353.db2.gz POLJRLKKXPZPGZ-UHFFFAOYSA-N 0 0 402.560 3.172 50 0 HGAARN CN1C[C@]2(CCCN(C(=O)c3cc4c(-c5ccccc5)nn(C)c4s3)C2)OC1=O ZINC000426360221 569072535 /nfs/dbraw/zinc/07/25/35/569072535.db2.gz ZHWWAAPFJUWJNM-NRFANRHFSA-N 0 0 410.499 3.359 50 0 HGAARN CC(=O)NCc1cc2n(n1)CCN(C(=O)c1ccc(Oc3cccc(C)c3)cc1)C2 ZINC000426398954 569072596 /nfs/dbraw/zinc/07/25/96/569072596.db2.gz BDPPNAMVGZDKGR-UHFFFAOYSA-N 0 0 404.470 3.276 50 0 HGAARN COc1cccc(CN2CCC[C@@]3(CCN(c4nc(C)cnc4C)C3)C2=O)c1OC ZINC000426405190 569072793 /nfs/dbraw/zinc/07/27/93/569072793.db2.gz UTHBZCBBZREEBZ-QHCPKHFHSA-N 0 0 410.518 3.130 50 0 HGAARN Cc1noc(C)c1CN1CCc2c(C(=O)N3CCC[C@@](C)(CO)C3)csc2C1 ZINC000426419972 569072902 /nfs/dbraw/zinc/07/29/02/569072902.db2.gz CIPYDFZZJKOCEQ-OAQYLSRUSA-N 0 0 403.548 3.146 50 0 HGAARN CCc1ccc(CN2CCc3c(C(=O)NCc4cnn(CC)c4)csc3C2)nc1 ZINC000426667287 569073824 /nfs/dbraw/zinc/07/38/24/569073824.db2.gz ACUZNUMATCACJO-UHFFFAOYSA-N 0 0 409.559 3.410 50 0 HGAARN Cc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)c1C ZINC000426683791 569073841 /nfs/dbraw/zinc/07/38/41/569073841.db2.gz JUFMDJVJCOKFSB-HSZRJFAPSA-N 0 0 412.509 3.140 50 0 HGAARN NC(=O)[C@H]1CCCN(C(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)C1 ZINC000426712269 569073970 /nfs/dbraw/zinc/07/39/70/569073970.db2.gz YFTDEHFHELKRFI-FQEVSTJZSA-N 0 0 402.498 3.331 50 0 HGAARN COc1ccc(-c2cc(C(=O)N(CC(=O)NC3CC3)Cc3ccccc3)no2)cc1 ZINC000035989605 569074272 /nfs/dbraw/zinc/07/42/72/569074272.db2.gz LSLODNOFHODBGU-UHFFFAOYSA-N 0 0 405.454 3.271 50 0 HGAARN CCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000035990632 569074510 /nfs/dbraw/zinc/07/45/10/569074510.db2.gz DLLVTAKMQVOYQB-UHFFFAOYSA-N 0 0 418.526 3.402 50 0 HGAARN COc1ccc(-n2ncc3c2nc(C2CC2)nc3N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000035992344 569074709 /nfs/dbraw/zinc/07/47/09/569074709.db2.gz MGYMDAVIMBKZEJ-UHFFFAOYSA-N 0 0 420.517 3.006 50 0 HGAARN CCCNC(=O)N1CCCN(c2nc(C)nc3c2cnn3-c2ccc(C)cc2)CC1 ZINC000036002050 569075214 /nfs/dbraw/zinc/07/52/14/569075214.db2.gz HWCPGHZQEFHWGL-UHFFFAOYSA-N 0 0 407.522 3.064 50 0 HGAARN CC[C@@H](C)NC(=O)[C@H](C)n1c2cc(Cl)ccc2c(=O)n(Cc2ccccc2)c1=O ZINC000036009167 569076274 /nfs/dbraw/zinc/07/62/74/569076274.db2.gz HODAQSBJEOWLPV-CABCVRRESA-N 0 0 413.905 3.341 50 0 HGAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)NC3CC3)c3ccccc3)no2)c1 ZINC000036016112 569076620 /nfs/dbraw/zinc/07/66/20/569076620.db2.gz ZBKWMGZBHYIXEK-NRFANRHFSA-N 0 0 421.453 3.109 50 0 HGAARN CCn1c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccco2)c(C)c1C(=O)OC ZINC000036018728 569077254 /nfs/dbraw/zinc/07/72/54/569077254.db2.gz ZOIVCZKLTDJPLD-INIZCTEOSA-N 0 0 416.474 3.009 50 0 HGAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)nc(N3CCCN(C(=O)C(C)C)CC3)c12 ZINC000036024873 569077540 /nfs/dbraw/zinc/07/75/40/569077540.db2.gz SSYUJKVTEOAQTH-UHFFFAOYSA-N 0 0 406.534 3.435 50 0 HGAARN CC(C)CC(=O)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2Cc1ccco1 ZINC000036024735 569077542 /nfs/dbraw/zinc/07/75/42/569077542.db2.gz JJSFSDSQNHSVBL-NRFANRHFSA-N 0 0 409.530 3.188 50 0 HGAARN O=C(c1cccs1)N1CCC2(CC1)NCC(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000036025078 569077722 /nfs/dbraw/zinc/07/77/22/569077722.db2.gz URHKXJDQTPUCIF-UHFFFAOYSA-N 0 0 423.460 3.331 50 0 HGAARN O=C(NCCc1ccccc1)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000064665465 569078270 /nfs/dbraw/zinc/07/82/70/569078270.db2.gz CBCOVWKUSMWVNI-UHFFFAOYSA-N 0 0 406.461 3.041 50 0 HGAARN Cc1cccc(CNC(=O)c2cc3n(n2)CCCN(Cc2cccc(F)c2)C3=O)c1 ZINC000064665462 569078321 /nfs/dbraw/zinc/07/83/21/569078321.db2.gz QCVIYCKIYWBRNI-UHFFFAOYSA-N 0 0 406.461 3.307 50 0 HGAARN Cc1cccc(CN2CCCn3nc(C(=O)NCc4ccccc4F)cc3C2=O)c1 ZINC000064665617 569078342 /nfs/dbraw/zinc/07/83/42/569078342.db2.gz ZYMILVSYMSWTOI-UHFFFAOYSA-N 0 0 406.461 3.307 50 0 HGAARN Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2)o1 ZINC000064666434 569078367 /nfs/dbraw/zinc/07/83/67/569078367.db2.gz MPOIEVFPXIMNAV-OAQYLSRUSA-N 0 0 410.495 3.020 50 0 HGAARN Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccc(C)c2)o1 ZINC000064666440 569078418 /nfs/dbraw/zinc/07/84/18/569078418.db2.gz NSBCIKKAPVTXAM-QFIPXVFZSA-N 0 0 424.522 3.328 50 0 HGAARN Cc1ccc(-c2cc(NC(=O)CSc3nnnn3C)n(-c3ccccc3)n2)cc1 ZINC000006643472 569078500 /nfs/dbraw/zinc/07/85/00/569078500.db2.gz BIDNUSYJPIPRPP-UHFFFAOYSA-N 0 0 405.487 3.102 50 0 HGAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000036025964 569079557 /nfs/dbraw/zinc/07/95/57/569079557.db2.gz LQJMJQYUHFXXLW-UHFFFAOYSA-N 0 0 406.534 3.299 50 0 HGAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)NC(C)C)CC2)c(C)c1 ZINC000036026000 569079562 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CCN(CC)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc(C)c(F)c1 ZINC000065075593 569169688 /nfs/dbraw/zinc/16/96/88/569169688.db2.gz IHJWESPQOASGEM-UHFFFAOYSA-N 0 0 412.469 3.183 50 0 HGAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1 ZINC000065078418 569170689 /nfs/dbraw/zinc/17/06/89/569170689.db2.gz NUPVMUXZSZCNEQ-AWEZNQCLSA-N 0 0 418.540 3.478 50 0 HGAARN Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1 ZINC000065078439 569170694 /nfs/dbraw/zinc/17/06/94/569170694.db2.gz QDNYWRPFSNJYPG-CQSZACIVSA-N 0 0 418.540 3.478 50 0 HGAARN C[C@@H]1CSc2ccc(S(=O)(=O)CCC(=O)Nc3ccccc3F)cc2NC1=O ZINC000065078208 569170933 /nfs/dbraw/zinc/17/09/33/569170933.db2.gz GOJIHUPWIMJACK-GFCCVEGCSA-N 0 0 422.503 3.309 50 0 HGAARN CC(C)c1cc(NC(=O)COC(=O)c2ccccc2CSc2nc[nH]n2)on1 ZINC000006887909 569171443 /nfs/dbraw/zinc/17/14/43/569171443.db2.gz JBNLURLOIZESJP-UHFFFAOYSA-N 0 0 401.448 3.004 50 0 HGAARN COc1cccc(CNC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1 ZINC000169772550 569171951 /nfs/dbraw/zinc/17/19/51/569171951.db2.gz WZNVKDXMPKWRNB-UHFFFAOYSA-N 0 0 408.424 3.345 50 0 HGAARN CCCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2cc3ccccc3[nH]2)n1 ZINC000169776206 569172670 /nfs/dbraw/zinc/17/26/70/569172670.db2.gz SOOMYMMUJPZOEK-UHFFFAOYSA-N 0 0 401.430 3.143 50 0 HGAARN O=C(c1cccc(F)c1)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778051 569173417 /nfs/dbraw/zinc/17/34/17/569173417.db2.gz RXEBTAHXSIPNHM-KRWDZBQOSA-N 0 0 404.405 3.221 50 0 HGAARN COc1cc(OC)cc(C(=O)NCc2nnc3ccc(-c4ccc(C)c(C)c4)nn32)c1 ZINC000169778598 569173725 /nfs/dbraw/zinc/17/37/25/569173725.db2.gz GQVNKJVCRJLJOO-UHFFFAOYSA-N 0 0 417.469 3.355 50 0 HGAARN CCCc1noc(-c2cn(C3CCN(C(=O)c4cc(F)ccc4F)CC3)nn2)n1 ZINC000169777391 569173738 /nfs/dbraw/zinc/17/37/38/569173738.db2.gz FKCVYJCPGNLLOZ-UHFFFAOYSA-N 0 0 402.405 3.036 50 0 HGAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000169777370 569173757 /nfs/dbraw/zinc/17/37/57/569173757.db2.gz BNHKMZFZZZWKJW-QGZVFWFLSA-N 0 0 420.513 3.138 50 0 HGAARN COc1cccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)c1OC ZINC000169780763 569174203 /nfs/dbraw/zinc/17/42/03/569174203.db2.gz KFHHITCAGMAVIK-KRWDZBQOSA-N 0 0 406.486 3.493 50 0 HGAARN COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000169779294 569174462 /nfs/dbraw/zinc/17/44/62/569174462.db2.gz FYEJRCKBQPXQMY-UHFFFAOYSA-N 0 0 424.476 3.096 50 0 HGAARN COc1ccc(Cl)cc1C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000169779772 569174559 /nfs/dbraw/zinc/17/45/59/569174559.db2.gz DDUKGDPGBGOBGG-UHFFFAOYSA-N 0 0 412.877 3.242 50 0 HGAARN Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000006893433 569174808 /nfs/dbraw/zinc/17/48/08/569174808.db2.gz HGYXXCMOUDISSA-UHFFFAOYSA-N 0 0 404.513 3.150 50 0 HGAARN CCCN1C(=O)COc2ccc(-c3noc(CNC(=O)c4ccc(C)cc4)n3)cc21 ZINC000065098406 569177136 /nfs/dbraw/zinc/17/71/36/569177136.db2.gz XJCNEHAJNZZOIH-UHFFFAOYSA-N 0 0 406.442 3.110 50 0 HGAARN CCCN1C(=O)COc2ccc(-c3noc(Cc4ccc(NC(C)=O)cc4)n3)cc21 ZINC000065098381 569177177 /nfs/dbraw/zinc/17/71/77/569177177.db2.gz QAGGCCRTKVIEEQ-UHFFFAOYSA-N 0 0 406.442 3.421 50 0 HGAARN Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100037 569177196 /nfs/dbraw/zinc/17/71/96/569177196.db2.gz UDBRITIKEASWNM-UHFFFAOYSA-N 0 0 410.434 3.402 50 0 HGAARN C[C@H](C(=O)NCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000006901518 569177617 /nfs/dbraw/zinc/17/76/17/569177617.db2.gz ZHKGWKQPRPATKP-QGZVFWFLSA-N 0 0 411.527 3.303 50 0 HGAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2ccc(F)cc2F)c1N ZINC000065113663 569180815 /nfs/dbraw/zinc/18/08/15/569180815.db2.gz ROLHTBXXLFGTSR-UHFFFAOYSA-N 0 0 410.384 3.403 50 0 HGAARN COc1cccc(CNC(=O)c2cc3c(ccn(Cc4cccnc4)c3=O)nc2C)c1 ZINC000006915332 569182139 /nfs/dbraw/zinc/18/21/39/569182139.db2.gz BXPDVUWPDVCLKJ-UHFFFAOYSA-N 0 0 414.465 3.087 50 0 HGAARN Cc1cc(F)ccc1NC(=O)c1ccc(CN2CCN(C3CCCC3)C(=O)C2=O)cc1 ZINC000065130028 569183354 /nfs/dbraw/zinc/18/33/54/569183354.db2.gz RIBLUVTXIVOPNM-UHFFFAOYSA-N 0 0 423.488 3.500 50 0 HGAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)N1CCC2(CC1)OCCO2 ZINC000065136640 569183401 /nfs/dbraw/zinc/18/34/01/569183401.db2.gz GOPGRFFQOJMBRS-KRWDZBQOSA-N 0 0 419.497 3.215 50 0 biogenic HGAARN O=C(Cn1c(=O)cccc1-c1nc(-c2ccccc2)no1)Nc1cc(F)ccc1F ZINC000065150261 569184812 /nfs/dbraw/zinc/18/48/12/569184812.db2.gz PXFKEVNQVPSHMV-UHFFFAOYSA-N 0 0 408.364 3.482 50 0 HGAARN Cc1ccc(C)c(NC(=O)Cn2nc3c(Oc4cccc(F)c4)nccn3c2=O)c1 ZINC000065150730 569185140 /nfs/dbraw/zinc/18/51/40/569185140.db2.gz SBIZNVCKCFDKGK-UHFFFAOYSA-N 0 0 407.405 3.078 50 0 HGAARN Cc1cc(F)ccc1NC(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O ZINC000065151002 569186200 /nfs/dbraw/zinc/18/62/00/569186200.db2.gz MONJHKMTCRGFGR-UHFFFAOYSA-N 0 0 415.494 3.402 50 0 HGAARN Cc1ccc(C)c(NC(=O)Cn2nc3c(SCc4ccccc4)nccn3c2=O)c1 ZINC000065151130 569186301 /nfs/dbraw/zinc/18/63/01/569186301.db2.gz FDNVHGXGJAYYJI-UHFFFAOYSA-N 0 0 419.510 3.439 50 0 HGAARN COc1cccc(NC(=O)CN2c3ccccc3[C@@](O)(c3cccc(F)c3)C2=O)c1 ZINC000065155416 569188165 /nfs/dbraw/zinc/18/81/65/569188165.db2.gz BDAMAUZZCJKYLE-QHCPKHFHSA-N 0 0 406.413 3.056 50 0 HGAARN CC(=O)Nc1ccc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cc1 ZINC000065163292 569188389 /nfs/dbraw/zinc/18/83/89/569188389.db2.gz ANLNALZAERHXKR-UHFFFAOYSA-N 0 0 414.531 3.172 50 0 HGAARN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000006947102 569188441 /nfs/dbraw/zinc/18/84/41/569188441.db2.gz MAILLRAAGHTYHU-WFASDCNBSA-N 0 0 405.499 3.118 50 0 HGAARN COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)C3)cc1 ZINC000065169093 569188947 /nfs/dbraw/zinc/18/89/47/569188947.db2.gz OWHOBZMIFXEZJH-UHFFFAOYSA-N 0 0 417.437 3.177 50 0 HGAARN CCc1ccccc1NC(=O)Cn1c(C)nc2c(-c3ccncc3)nsc2c1=O ZINC000065170991 569189123 /nfs/dbraw/zinc/18/91/23/569189123.db2.gz GQDYNNRZHHFVAG-UHFFFAOYSA-N 0 0 405.483 3.425 50 0 HGAARN CCOC(=O)C1CCN(C(=O)[C@H]2c3ccccc3CC(=O)N2Cc2ccccc2)CC1 ZINC000065170152 569189178 /nfs/dbraw/zinc/18/91/78/569189178.db2.gz BOWFGMQYTNZZMV-HSZRJFAPSA-N 0 0 420.509 3.114 50 0 HGAARN CCc1nc2c(-c3ccncc3)nsc2c(=O)n1CC(=O)Nc1ccc(OC)cc1 ZINC000065171061 569189239 /nfs/dbraw/zinc/18/92/39/569189239.db2.gz ZSDDZMUEDCQHHP-UHFFFAOYSA-N 0 0 421.482 3.125 50 0 HGAARN O=C(NCCc1csc(C2CCN(C(=O)NC3CCCC3)CC2)n1)C1CCC1 ZINC000065173450 569190161 /nfs/dbraw/zinc/19/01/61/569190161.db2.gz XJZYFFHODYULSZ-UHFFFAOYSA-N 0 0 404.580 3.434 50 0 HGAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)cc1 ZINC000065179212 569190378 /nfs/dbraw/zinc/19/03/78/569190378.db2.gz FHEXSFUZACRFDF-HXUWFJFHSA-N 0 0 422.525 3.399 50 0 HGAARN Cc1ccc(CN2N=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(C)cc32)cc1 ZINC000065183321 569190859 /nfs/dbraw/zinc/19/08/59/569190859.db2.gz ASISXBJMUVGHOQ-UHFFFAOYSA-N 0 0 411.527 3.423 50 0 HGAARN CC1CCN(C(=O)C2=NN(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)CC1 ZINC000065183259 569190906 /nfs/dbraw/zinc/19/09/06/569190906.db2.gz JZYCMSWBKLESFB-UHFFFAOYSA-N 0 0 415.490 3.192 50 0 HGAARN CCCn1c(COC(=O)c2ccccc2F)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006972705 569191968 /nfs/dbraw/zinc/19/19/68/569191968.db2.gz MSJHCSRWSIXKSW-UHFFFAOYSA-N 0 0 419.478 3.193 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc(-c3nc(-c4ccc(F)cc4)no3)ccc2=O)cc1 ZINC000065197509 569193009 /nfs/dbraw/zinc/19/30/09/569193009.db2.gz IVMPFKYTAMZIAR-UHFFFAOYSA-N 0 0 405.389 3.047 50 0 HGAARN CCOc1cc(=O)c(C(=O)Nc2cccc(OC)c2)nn1-c1ccc(F)c(F)c1 ZINC000065198166 569193222 /nfs/dbraw/zinc/19/32/22/569193222.db2.gz BMRPUSOMSDTGLC-UHFFFAOYSA-N 0 0 401.369 3.170 50 0 HGAARN O=C(Cc1ccc(F)cc1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1 ZINC000065200171 569193725 /nfs/dbraw/zinc/19/37/25/569193725.db2.gz YMDGAGHFJWXZSN-UHFFFAOYSA-N 0 0 402.539 3.159 50 0 HGAARN Cc1ccc(OCC(=O)N2CCN(c3nc(CN4CCCCC4)cs3)CC2)cc1 ZINC000065200527 569193792 /nfs/dbraw/zinc/19/37/92/569193792.db2.gz WAPFDGJBBQHBPK-UHFFFAOYSA-N 0 0 414.575 3.165 50 0 HGAARN CC(=O)N1CCc2sc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2C1 ZINC000065200896 569193842 /nfs/dbraw/zinc/19/38/42/569193842.db2.gz GSCWMSKPHWOIRH-UHFFFAOYSA-N 0 0 403.935 3.269 50 0 HGAARN Cc1ccc(CNS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1 ZINC000065196271 569194600 /nfs/dbraw/zinc/19/46/00/569194600.db2.gz FRBLDGVBXVLYIU-UHFFFAOYSA-N 0 0 404.557 3.220 50 0 HGAARN CCCN(CCC)C(=O)Cn1nc2cc(C)nc(-c3ccc(Cl)cc3)n2c1=O ZINC000065196537 569194733 /nfs/dbraw/zinc/19/47/33/569194733.db2.gz ILCFXCWYHWZMDZ-UHFFFAOYSA-N 0 0 401.898 3.168 50 0 HGAARN Cc1nc(-c2ccccc2)cc2nn(CC(=O)N(C)c3cccc(Cl)c3)c(=O)n21 ZINC000065196635 569194840 /nfs/dbraw/zinc/19/48/40/569194840.db2.gz XQMBFURIMNYZGT-UHFFFAOYSA-N 0 0 407.861 3.183 50 0 HGAARN O=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1ccc(F)cc1Cl ZINC000065202452 569195267 /nfs/dbraw/zinc/19/52/67/569195267.db2.gz HCSGAUCWNJVDHI-UHFFFAOYSA-N 0 0 410.836 3.296 50 0 HGAARN Cc1nnc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000006985269 569195739 /nfs/dbraw/zinc/19/57/39/569195739.db2.gz MSYKPVLWYIORIC-ZDUSSCGKSA-N 0 0 416.528 3.311 50 0 HGAARN Cc1cccc2c(=O)n(C)c(CCC(=O)NCc3ccc(Br)cc3)nc12 ZINC000065201984 569196141 /nfs/dbraw/zinc/19/61/41/569196141.db2.gz HEEJDNOLFVJNIX-UHFFFAOYSA-N 0 0 414.303 3.253 50 0 HGAARN C[C@@H]1CCCN(c2ccc(-c3noc(CN4CCN(c5ccccn5)CC4)n3)cn2)C1 ZINC000065216098 569197697 /nfs/dbraw/zinc/19/76/97/569197697.db2.gz ZYGSZCWAJBPRCP-GOSISDBHSA-N 0 0 419.533 3.085 50 0 HGAARN COc1ccc(CNC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1 ZINC000065220177 569198006 /nfs/dbraw/zinc/19/80/06/569198006.db2.gz KXEPPKXGXQHJSR-UHFFFAOYSA-N 0 0 401.466 3.176 50 0 HGAARN O=C(Cn1ccc2ccn(Cc3cccc(F)c3)c2c1=O)Nc1ccc2c(c1)OCO2 ZINC000065220487 569198127 /nfs/dbraw/zinc/19/81/27/569198127.db2.gz YLTQJTOYODPQPA-UHFFFAOYSA-N 0 0 419.412 3.358 50 0 HGAARN COc1ccc(CNS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1 ZINC000007005233 569198572 /nfs/dbraw/zinc/19/85/72/569198572.db2.gz RTURMCKDHLEVGY-UHFFFAOYSA-N 0 0 402.472 3.454 50 0 HGAARN CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CCN(C)CC1 ZINC000007001718 569198829 /nfs/dbraw/zinc/19/88/29/569198829.db2.gz CQXBFZDTRBGXJJ-UHFFFAOYSA-N 0 0 407.470 3.471 50 0 HGAARN CCOc1ccc(N2C(=O)N(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000007005755 569199187 /nfs/dbraw/zinc/19/91/87/569199187.db2.gz SNWGZJRUTZYYMW-OALUTQOASA-N 0 0 420.918 3.347 50 0 HGAARN Cc1ccc(N2C(=O)N(Cc3cccc(F)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000007006003 569199260 /nfs/dbraw/zinc/19/92/60/569199260.db2.gz XCQPNEFNLCXDNE-ZWKOTPCHSA-N 0 0 408.882 3.395 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3ccco3)o1)CC2 ZINC000007005925 569199263 /nfs/dbraw/zinc/19/92/63/569199263.db2.gz AGAWJGQKEUBSGT-UHFFFAOYSA-N 0 0 401.444 3.024 50 0 HGAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000007006700 569199690 /nfs/dbraw/zinc/19/96/90/569199690.db2.gz XVJWUPAOHNFMJU-UHFFFAOYSA-N 0 0 403.287 3.261 50 0 HGAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccc(Br)cc1 ZINC000007006906 569199727 /nfs/dbraw/zinc/19/97/27/569199727.db2.gz WDPOLFCWEDWFNB-UHFFFAOYSA-N 0 0 415.309 3.049 50 0 HGAARN COc1ccc(CNC(=O)c2nc(-c3nc(-c4cccnc4)no3)cs2)cc1OC ZINC000065230606 569200633 /nfs/dbraw/zinc/20/06/33/569200633.db2.gz YVEUMRRHVQQIPL-UHFFFAOYSA-N 0 0 423.454 3.202 50 0 HGAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccc4F)CC3)o2)cc1 ZINC000065229712 569200662 /nfs/dbraw/zinc/20/06/62/569200662.db2.gz OESMTXSUIMLBAM-UHFFFAOYSA-N 0 0 410.449 3.417 50 0 HGAARN COc1ccc(CC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1Cl ZINC000065232197 569201126 /nfs/dbraw/zinc/20/11/26/569201126.db2.gz UJGAGIPORHLELY-UHFFFAOYSA-N 0 0 419.909 3.296 50 0 HGAARN COc1ccc(C)cc1NC(=O)c1nc(-c2cn(Cc3ccc(C)cc3)nn2)no1 ZINC000065236807 569202710 /nfs/dbraw/zinc/20/27/10/569202710.db2.gz MWQPHHVEJIWCRM-UHFFFAOYSA-N 0 0 404.430 3.254 50 0 HGAARN C[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000036585576 569203124 /nfs/dbraw/zinc/20/31/24/569203124.db2.gz GXUDUPNOGGATOO-OAHLLOKOSA-N 0 0 410.905 3.288 50 0 HGAARN C=C1C(N2CCCN(C(=O)C3CCC3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239533 569203498 /nfs/dbraw/zinc/20/34/98/569203498.db2.gz BMNLQQGYUMZZFO-UHFFFAOYSA-N 0 0 415.559 3.056 50 0 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CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(C)cc2)CC3)CC1 ZINC000065273470 569216135 /nfs/dbraw/zinc/21/61/35/569216135.db2.gz FANHSFBGARSDNB-MRXNPFEDSA-N 0 0 412.559 3.254 50 0 HGAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCC2CCCCC2)CC3)CC1 ZINC000065273569 569216196 /nfs/dbraw/zinc/21/61/96/569216196.db2.gz CWHADHXHZAXSKH-KRWDZBQOSA-N 0 0 418.607 3.003 50 0 HGAARN CSc1cccc(NC(=O)N2CCc3nc(CNC(=O)C4CCC4)n(C)c3C2)c1 ZINC000065284621 569216642 /nfs/dbraw/zinc/21/66/42/569216642.db2.gz IDIQDOFBGQVCGI-UHFFFAOYSA-N 0 0 413.547 3.149 50 0 HGAARN Cc1ccccc1OCCOC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000007072569 569216851 /nfs/dbraw/zinc/21/68/51/569216851.db2.gz JATBROALDZCJOE-XMMPIXPASA-N 0 0 420.465 3.059 50 0 HGAARN O=C(CCS(=O)(=O)c1ccccc1)O[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000007082774 569217414 /nfs/dbraw/zinc/21/74/14/569217414.db2.gz YNTLCVHAGGTXFM-NRFANRHFSA-N 0 0 415.511 3.147 50 0 HGAARN CCS(=O)(=O)c1ccccc1C(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000007073905 569217896 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Cc1ccc(Nc2ccn3c(nn(CC(=O)Nc4ccc(C)c(F)c4)c3=O)n2)cc1 ZINC000065308098 569220175 /nfs/dbraw/zinc/22/01/75/569220175.db2.gz RNWIWKPMGSOLHE-UHFFFAOYSA-N 0 0 406.421 3.029 50 0 HGAARN Cn1c(CCC(N)=O)nnc1SCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000007106049 569220201 /nfs/dbraw/zinc/22/02/01/569220201.db2.gz AXJPHMZUIMYTBG-UHFFFAOYSA-N 0 0 418.526 3.378 50 0 HGAARN Cc1ccccc1CN1CCCN(CC(=O)Nc2cccc(Cl)c2)S1(=O)=O ZINC000065302093 569220256 /nfs/dbraw/zinc/22/02/56/569220256.db2.gz NADXSQRPKWYHJL-UHFFFAOYSA-N 0 0 407.923 3.040 50 0 HGAARN Cc1ccc(C)c(CN2CCCN(CC(=O)Nc3cc(C)cc(C)c3)S2(=O)=O)c1 ZINC000065304993 569220388 /nfs/dbraw/zinc/22/03/88/569220388.db2.gz BEMLTYDVYDJBFE-UHFFFAOYSA-N 0 0 415.559 3.311 50 0 HGAARN CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000007106972 569220541 /nfs/dbraw/zinc/22/05/41/569220541.db2.gz VOSQMTHKJRMLDD-UHFFFAOYSA-N 0 0 411.483 3.445 50 0 HGAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1N1CCN(c2ccc(F)cc2)CC1 ZINC000065306427 569220585 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/nfs/dbraw/zinc/22/82/16/569228216.db2.gz QFAVWGIOMYPICF-QGZVFWFLSA-N 0 0 420.575 3.499 50 0 HGAARN CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007218238 569229197 /nfs/dbraw/zinc/22/91/97/569229197.db2.gz RIEMQQNRIJLAGU-UHFFFAOYSA-N 0 0 412.305 3.431 50 0 HGAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2s1 ZINC000007242181 569229741 /nfs/dbraw/zinc/22/97/41/569229741.db2.gz PCFKCXLYSCCISF-GFCCVEGCSA-N 0 0 418.544 3.294 50 0 HGAARN CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)s1 ZINC000007269594 569231219 /nfs/dbraw/zinc/23/12/19/569231219.db2.gz OOOWPMWZPKMEBC-INIZCTEOSA-N 0 0 415.496 3.286 50 0 HGAARN COc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)NC1CC1 ZINC000007285148 569232001 /nfs/dbraw/zinc/23/20/01/569232001.db2.gz WIFLHUFSPGHNDQ-UHFFFAOYSA-N 0 0 414.936 3.123 50 0 HGAARN C[C@@H](NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccco1 ZINC000007318519 569233377 /nfs/dbraw/zinc/23/33/77/569233377.db2.gz RBBKNVBIRFEDFD-MRXNPFEDSA-N 0 0 411.531 3.426 50 0 HGAARN O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000065516328 569233505 /nfs/dbraw/zinc/23/35/05/569233505.db2.gz DSNHZYFNNHNYME-UHFFFAOYSA-N 0 0 408.889 3.233 50 0 HGAARN C[C@@H](NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccco1 ZINC000007329355 569233725 /nfs/dbraw/zinc/23/37/25/569233725.db2.gz ZITKQZCJBAEOCY-MZNJEOGPSA-N 0 0 417.465 3.147 50 0 HGAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1ncnc2sccc21 ZINC000007329400 569233794 /nfs/dbraw/zinc/23/37/94/569233794.db2.gz FPDLEYJGVZLOJO-ZDUSSCGKSA-N 0 0 401.513 3.472 50 0 HGAARN CS(=O)(=O)c1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000007360040 569234991 /nfs/dbraw/zinc/23/49/91/569234991.db2.gz ZEBVZFMRVMBGAH-INIZCTEOSA-N 0 0 415.540 3.475 50 0 HGAARN COc1cccc(C(=O)Nc2cc(C)nn2CCOC(=O)c2cccc(OC)c2)c1 ZINC000065553392 569235254 /nfs/dbraw/zinc/23/52/54/569235254.db2.gz GLVYZRFENBOONY-UHFFFAOYSA-N 0 0 409.442 3.318 50 0 HGAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(OCC4CCOCC4)nc3)CC2)c1 ZINC000239612030 569235698 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HGAARN Cc1cccc(-c2nc(N3CCOCC3)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037360696 569283604 /nfs/dbraw/zinc/28/36/04/569283604.db2.gz XDOXUAPYWWNHDK-UHFFFAOYSA-N 0 0 400.486 3.269 50 0 HGAARN CC(=O)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1OC(C)=O ZINC000002109024 569283755 /nfs/dbraw/zinc/28/37/55/569283755.db2.gz IYHJFXSIVSANDJ-UHFFFAOYSA-N 0 0 406.346 3.417 50 0 biogenic HGAARN COc1ccc(CCNc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000002123041 569285891 /nfs/dbraw/zinc/28/58/91/569285891.db2.gz GICFNTVMIFASKC-UHFFFAOYSA-N 0 0 407.470 3.147 50 0 biogenic HGAARN CC(C)C[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C ZINC000252479414 569288917 /nfs/dbraw/zinc/28/89/17/569288917.db2.gz BEMNPMQFJAFCHC-PKOBYXMFSA-N 0 0 406.534 3.483 50 0 HGAARN O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 ZINC000252498971 569291078 /nfs/dbraw/zinc/29/10/78/569291078.db2.gz RRZCLVHBYUDZQZ-NRFANRHFSA-N 0 0 403.482 3.365 50 0 HGAARN Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000252499284 569291121 /nfs/dbraw/zinc/29/11/21/569291121.db2.gz RYFXJLHGPGZIRZ-QGZVFWFLSA-N 0 0 414.405 3.089 50 0 HGAARN CC[C@H](C)n1c(C)c(C)n2c3c(nc21)n(C)c(=O)n(Cc1ccccc1Cl)c3=O ZINC000010104244 569291219 /nfs/dbraw/zinc/29/12/19/569291219.db2.gz FIPCJNOZJFGINY-LBPRGKRZSA-N 0 0 413.909 3.439 50 0 HGAARN Cc1ccc(-n2cnnc2SCC(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1C ZINC000252514762 569292161 /nfs/dbraw/zinc/29/21/61/569292161.db2.gz DIHJFCUOLWRTJZ-QXAKKESOSA-N 0 0 400.548 3.248 50 0 HGAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000252517580 569292246 /nfs/dbraw/zinc/29/22/46/569292246.db2.gz LZQXNDIRDZVDCF-BJOOFOGMSA-N 0 0 404.898 3.308 50 0 HGAARN Cn1ccc2cc(NC(=O)CC[C@H]3NC(=O)N(Cc4cccc(F)c4)C3=O)ccc21 ZINC000252536218 569292764 /nfs/dbraw/zinc/29/27/64/569292764.db2.gz HWUHHTLOCIKJQE-GOSISDBHSA-N 0 0 408.433 3.361 50 0 HGAARN O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc2ncccc21 ZINC000252536639 569292857 /nfs/dbraw/zinc/29/28/57/569292857.db2.gz 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O=C(NC1CC1)c1sccc1-n1c(=O)c2ccccc2n(Cc2ccccc2)c1=O ZINC000013719375 558580831 /nfs/dbraw/zinc/58/08/31/558580831.db2.gz UCJHGEXZQZWKSI-UHFFFAOYSA-N 0 0 417.490 3.154 50 0 HGAARN Cc1sc2nc(-c3cccs3)nc(NC[C@H](O)CN3CCOCC3)c2c1C ZINC000023935276 558581660 /nfs/dbraw/zinc/58/16/60/558581660.db2.gz PNKRBLFNRIVBLA-AWEZNQCLSA-N 0 0 404.561 3.142 50 0 HGAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C)nc2ccccc21 ZINC000023996216 558584259 /nfs/dbraw/zinc/58/42/59/558584259.db2.gz MPYZWDSUKMOTAB-UHFFFAOYSA-N 0 0 402.454 3.069 50 0 HGAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000024005517 558584606 /nfs/dbraw/zinc/58/46/06/558584606.db2.gz KDJBHSIHKHQOHD-UHFFFAOYSA-N 0 0 418.490 3.376 50 0 HGAARN COc1cc(C2N=NC(=S)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000013728617 558585670 /nfs/dbraw/zinc/58/56/70/558585670.db2.gz JIXVUJMPXIYWAZ-UHFFFAOYSA-N 0 0 401.444 3.037 50 0 HGAARN CC(=O)N1CCC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000024061131 558587223 /nfs/dbraw/zinc/58/72/23/558587223.db2.gz PEXPSQKPCGPNHD-QHCPKHFHSA-N 0 0 405.542 3.179 50 0 HGAARN C[C@H](Sc1ccccc1)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000024061610 558587374 /nfs/dbraw/zinc/58/73/74/558587374.db2.gz ZCCGNYJPZBVBNN-HNAYVOBHSA-N 0 0 417.962 3.191 50 0 HGAARN C[C@@H](Sc1ccccc1)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000024061607 558587412 /nfs/dbraw/zinc/58/74/12/558587412.db2.gz ZCCGNYJPZBVBNN-DNVCBOLYSA-N 0 0 417.962 3.191 50 0 HGAARN CC(C)[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000024136055 558590125 /nfs/dbraw/zinc/59/01/25/558590125.db2.gz RLMCRLMGUYRZEY-OAQYLSRUSA-N 0 0 421.490 3.274 50 0 HGAARN COc1ccc([C@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[nH]c(=O)c32)c(OC)c1 ZINC000004459147 558590404 /nfs/dbraw/zinc/59/04/04/558590404.db2.gz RZXXSTGBGXHIRN-IBGZPJMESA-N 0 0 401.422 3.471 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1C ZINC000024149482 558590810 /nfs/dbraw/zinc/59/08/10/558590810.db2.gz QHIGJPVTSDDYAZ-UHFFFAOYSA-N 0 0 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558592368 /nfs/dbraw/zinc/59/23/68/558592368.db2.gz MCWDUBFBLAJQLH-QFIPXVFZSA-N 0 0 408.477 3.180 50 0 HGAARN CC(=O)Nc1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)s1 ZINC000024336303 558595348 /nfs/dbraw/zinc/59/53/48/558595348.db2.gz OSRNOXDFQWGSDE-UHFFFAOYSA-N 0 0 400.529 3.274 50 0 HGAARN Cc1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000032752842 558596032 /nfs/dbraw/zinc/59/60/32/558596032.db2.gz WRBYEHGKXUPVEZ-KRWDZBQOSA-N 0 0 410.499 3.174 50 0 HGAARN O=C(CSc1ccccc1C(=O)NCCc1ccc2c(c1)OCO2)N1CCCC1 ZINC000024380674 558596539 /nfs/dbraw/zinc/59/65/39/558596539.db2.gz YFLFMIXIYPMSNQ-UHFFFAOYSA-N 0 0 412.511 3.102 50 0 HGAARN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3c4ccccc4C[C@H]3C)cc(C(C)C)nc21 ZINC000024442482 558597515 /nfs/dbraw/zinc/59/75/15/558597515.db2.gz MCPMSNCBUNEJJS-OAHLLOKOSA-N 0 0 420.513 3.456 50 0 HGAARN Cc1c(O)ccc2c(CSc3n[nH]c(=O)n3CCc3ccccc3)cc(=O)oc12 ZINC000024456546 558598087 /nfs/dbraw/zinc/59/80/87/558598087.db2.gz DICJLUMSKKWGNE-UHFFFAOYSA-N 0 0 409.467 3.227 50 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O=S(=O)(NCc1ccccc1Cn1cccn1)c1cccc(Br)c1 ZINC000010959181 558606138 /nfs/dbraw/zinc/60/61/38/558606138.db2.gz RTGCRAZITBQGRD-UHFFFAOYSA-N 0 0 406.305 3.172 50 0 HGAARN Cc1nn(C)c(C)c1C(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000010953342 558606141 /nfs/dbraw/zinc/60/61/41/558606141.db2.gz RHXUPOZXIIHGLY-UHFFFAOYSA-N 0 0 409.490 3.316 50 0 HGAARN Cc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000013944775 558606315 /nfs/dbraw/zinc/60/63/15/558606315.db2.gz MQPJZQBHCOCMOQ-GFCCVEGCSA-N 0 0 403.895 3.011 50 0 HGAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@@H](C)C(=O)NC1CCCC1 ZINC000013956659 558607815 /nfs/dbraw/zinc/60/78/15/558607815.db2.gz OAVIYFRWADUSKG-HNNXBMFYSA-N 0 0 415.563 3.327 50 0 HGAARN COc1ncc(NC(=O)CCC(=O)O[C@H](C)C(Cl)=C(Cl)Cl)c(OC)n1 ZINC000004491649 558609744 /nfs/dbraw/zinc/60/97/44/558609744.db2.gz CQONLQLBQYMUQC-SSDOTTSWSA-N 0 0 412.657 3.030 50 0 HGAARN O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000013992342 558611296 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CSc1ccc(Cl)c(C(=O)N2CCC(c3cc4n(n3)CCCNC4=O)CC2)c1 ZINC000065225661 558664344 /nfs/dbraw/zinc/66/43/44/558664344.db2.gz RELCPANECUULKG-UHFFFAOYSA-N 0 0 418.950 3.412 50 0 HGAARN COc1cccc(C(=O)N2CCN(c3nc4cc(C)nn4c4ccccc43)CC2)c1 ZINC000026704594 558664456 /nfs/dbraw/zinc/66/44/56/558664456.db2.gz JKUIUJRTAICDPC-UHFFFAOYSA-N 0 0 401.470 3.162 50 0 HGAARN CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000026759028 558664773 /nfs/dbraw/zinc/66/47/73/558664773.db2.gz LAWFYCPYSYVQEG-QGZVFWFLSA-N 0 0 415.483 3.381 50 0 HGAARN O=C(CNc1cccc(C(=O)N2CCCC2)c1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000026805218 558665481 /nfs/dbraw/zinc/66/54/81/558665481.db2.gz SHAZLRLJBMRPFI-UHFFFAOYSA-N 0 0 424.892 3.207 50 0 HGAARN CCCN(CCn1nc2ccccn2c1=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000026900821 558666681 /nfs/dbraw/zinc/66/66/81/558666681.db2.gz FQMBVNZJCOGTTK-UHFFFAOYSA-N 0 0 422.316 3.154 50 0 HGAARN C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccc(Cl)c1 ZINC000027098323 558669703 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Cc1cc(C)c(CN2CCN(CC(=O)Nc3ccccc3Cl)S2(=O)=O)c(C)c1 ZINC000033045382 558882348 /nfs/dbraw/zinc/88/23/48/558882348.db2.gz OZATWDHAPHPPCV-UHFFFAOYSA-N 0 0 421.950 3.266 50 0 HGAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000033125112 558883012 /nfs/dbraw/zinc/88/30/12/558883012.db2.gz FNEFRCFZNCDJII-UHFFFAOYSA-N 0 0 421.453 3.044 50 0 HGAARN Cc1ccc(-n2nc(OCC(=O)N[C@@H]3CCCc4ccccc43)ccc2=O)cc1C ZINC000033125175 558883265 /nfs/dbraw/zinc/88/32/65/558883265.db2.gz NZWKRCUCPMXPGG-OAQYLSRUSA-N 0 0 403.482 3.422 50 0 HGAARN Cc1ccc(-n2nc(OCC(=O)N[C@H]3CCCc4ccccc43)ccc2=O)cc1C ZINC000033125178 558883269 /nfs/dbraw/zinc/88/32/69/558883269.db2.gz NZWKRCUCPMXPGG-NRFANRHFSA-N 0 0 403.482 3.422 50 0 HGAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000033048500 558886041 /nfs/dbraw/zinc/88/60/41/558886041.db2.gz CGBUHWJSPDOBJZ-UHFFFAOYSA-N 0 0 418.254 3.367 50 0 HGAARN CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000004675153 558886719 /nfs/dbraw/zinc/88/67/19/558886719.db2.gz OCGFZYXSWKOKHA-UHFFFAOYSA-N 0 0 407.470 3.339 50 0 HGAARN CC(C)C(=O)NC[C@H]1CCCN(Cc2nnc(-c3cccc(Br)c3)o2)C1 ZINC000060361071 558887592 /nfs/dbraw/zinc/88/75/92/558887592.db2.gz YSDFCNHIWOWXMQ-CQSZACIVSA-N 0 0 421.339 3.483 50 0 HGAARN CC(C)(C)SCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000004676653 558888818 /nfs/dbraw/zinc/88/88/18/558888818.db2.gz JAIPLLRQTSUPHB-UHFFFAOYSA-N 0 0 413.392 3.407 50 0 HGAARN COCCOc1ccc(S(=O)(=O)Nc2cccc(-n3nccc3C)c2)cc1C ZINC000057990966 558892605 /nfs/dbraw/zinc/89/26/05/558892605.db2.gz GKRURZRMNGDGES-UHFFFAOYSA-N 0 0 401.488 3.315 50 0 HGAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000019482865 558894558 /nfs/dbraw/zinc/89/45/58/558894558.db2.gz BCPAVOYNLDUOAU-JKSUJKDBSA-N 0 0 410.470 3.041 50 0 HGAARN Cc1ccc(CSc2nnc(NC(=O)NCCNc3ncccn3)s2)cc1 ZINC000058026290 558896271 /nfs/dbraw/zinc/89/62/71/558896271.db2.gz BTEDCNRJKVVMRH-UHFFFAOYSA-N 0 0 401.521 3.162 50 0 HGAARN COC(=O)c1cc(S(=O)(=O)Oc2ccc(C)cc2OC)ccc1Br ZINC000058047996 558896754 /nfs/dbraw/zinc/89/67/54/558896754.db2.gz OGOXHOZYWBGIDI-UHFFFAOYSA-N 0 0 415.261 3.320 50 0 HGAARN COc1ccc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)c(OC)c1 ZINC000071376286 558897086 /nfs/dbraw/zinc/89/70/86/558897086.db2.gz CCXOWZINORMVJQ-UHFFFAOYSA-N 0 0 405.458 3.493 50 0 HGAARN COc1ccccc1N1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000058120490 558900017 /nfs/dbraw/zinc/90/00/17/558900017.db2.gz CBRASLMXXVBWHB-UHFFFAOYSA-N 0 0 422.298 3.358 50 0 HGAARN CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc1OC ZINC000033171280 558900120 /nfs/dbraw/zinc/90/01/20/558900120.db2.gz AZHMFXNJBIMWSQ-UHFFFAOYSA-N 0 0 416.455 3.120 50 0 HGAARN Cc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)o1 ZINC000033171885 558900523 /nfs/dbraw/zinc/90/05/23/558900523.db2.gz QMILAYAXWALYQI-UHFFFAOYSA-N 0 0 404.879 3.140 50 0 HGAARN COc1cccc(CNC(=O)c2nsc(C(=O)NC3CCCCCC3)c2N)c1 ZINC000033171925 558900778 /nfs/dbraw/zinc/90/07/78/558900778.db2.gz AUTRFSCBRYGBGA-UHFFFAOYSA-N 0 0 402.520 3.117 50 0 HGAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](C)c4nc(C)no4)cc3C2=O)cc1 ZINC000058138600 558901251 /nfs/dbraw/zinc/90/12/51/558901251.db2.gz UVYMZVGIAJBVSA-LBPRGKRZSA-N 0 0 420.425 3.068 50 0 HGAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000058144612 558901900 /nfs/dbraw/zinc/90/19/00/558901900.db2.gz CEBRZFHCMBBUIU-FOIQADDNSA-N 0 0 417.531 3.199 50 0 HGAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccccc3OC)CC2)c1=O ZINC000033169625 558902932 /nfs/dbraw/zinc/90/29/32/558902932.db2.gz YHNZXOQWXHIKJJ-UHFFFAOYSA-N 0 0 421.501 3.216 50 0 HGAARN O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000058158310 558903874 /nfs/dbraw/zinc/90/38/74/558903874.db2.gz JVEDLRDXXMWGEI-FQEVSTJZSA-N 0 0 400.482 3.412 50 0 HGAARN CCCC1N=NC(=S)N1CC(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000058158788 558904028 /nfs/dbraw/zinc/90/40/28/558904028.db2.gz WJFQHZMOXBXDPM-UHFFFAOYSA-N 0 0 401.467 3.162 50 0 HGAARN O=C(Nc1ccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)cc1)[C@H]1CCCO1 ZINC000058174767 558909088 /nfs/dbraw/zinc/90/90/88/558909088.db2.gz KHUHFWSCHHPAIH-NHCUHLMSSA-N 0 0 424.501 3.412 50 0 HGAARN COC(=O)[C@@H](CC(C)C)NC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 ZINC000004702602 558912705 /nfs/dbraw/zinc/91/27/05/558912705.db2.gz YXRDOFGCRKBIDZ-HXUWFJFHSA-N 0 0 412.486 3.072 50 0 HGAARN CC(=O)N[C@H](CC(=O)N(c1ccc(S(C)(=O)=O)cc1)C(C)C)c1cccs1 ZINC000058226919 558913681 /nfs/dbraw/zinc/91/36/81/558913681.db2.gz PPMARDPZRVVYBA-QGZVFWFLSA-N 0 0 408.545 3.161 50 0 HGAARN O=C(NCc1ccnc(-n2cccn2)c1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000058281111 558916484 /nfs/dbraw/zinc/91/64/84/558916484.db2.gz HFWSZKVLNCPZTH-UHFFFAOYSA-N 0 0 402.414 3.434 50 0 HGAARN CNC(=O)c1cnc(C=Cc2cccc(NC(=O)c3ccccc3Cl)c2)[nH]c1=O ZINC000058300529 558917814 /nfs/dbraw/zinc/91/78/14/558917814.db2.gz OCTLJPZLZPLIES-MDZDMXLPSA-N 0 0 408.845 3.206 50 0 HGAARN O=C(NCCc1ccccc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000004712762 558918032 /nfs/dbraw/zinc/91/80/32/558918032.db2.gz FNPAYACXROMQIX-UHFFFAOYSA-N 0 0 400.544 3.130 50 0 HGAARN Cc1ccc(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000033251873 558919885 /nfs/dbraw/zinc/91/98/85/558919885.db2.gz ZXOHEOIKZZYHQF-FQEVSTJZSA-N 0 0 404.507 3.036 50 0 HGAARN COc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc(OC)c1 ZINC000033251838 558919897 /nfs/dbraw/zinc/91/98/97/558919897.db2.gz AXSZISYMKFTGOY-LJQANCHMSA-N 0 0 422.478 3.025 50 0 HGAARN NC(=O)CC[C@H]1CCCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000058341303 558920305 /nfs/dbraw/zinc/92/03/05/558920305.db2.gz YRZYYRSCGHTADK-OAHLLOKOSA-N 0 0 403.910 3.194 50 0 HGAARN C[C@H]1CN(Cc2ccc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2)C[C@H](C)O1 ZINC000058356016 558921258 /nfs/dbraw/zinc/92/12/58/558921258.db2.gz XJCAOVSAGYQIMO-OALUTQOASA-N 0 0 408.546 3.408 50 0 HGAARN CCCCOCCCNC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000058356266 558921341 /nfs/dbraw/zinc/92/13/41/558921341.db2.gz SVGFUNVRSPTKCH-UHFFFAOYSA-N 0 0 403.479 3.234 50 0 HGAARN CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000033253983 558922303 /nfs/dbraw/zinc/92/23/03/558922303.db2.gz VNNRQWPSWWQROS-UHFFFAOYSA-N 0 0 419.547 3.190 50 0 HGAARN CCn1cc(-c2nc(-c3ccncc3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000033255994 558923708 /nfs/dbraw/zinc/92/37/08/558923708.db2.gz IVRSQRYNCAAMHD-UHFFFAOYSA-N 0 0 421.432 3.109 50 0 HGAARN COC(=O)c1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C)n4)cc3)CC2)cc1 ZINC000033258172 558924644 /nfs/dbraw/zinc/92/46/44/558924644.db2.gz ABJLOOZANYWGMR-UHFFFAOYSA-N 0 0 421.457 3.186 50 0 HGAARN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000058406708 558924754 /nfs/dbraw/zinc/92/47/54/558924754.db2.gz NWWHBGFZDGSDNV-VIFPVBQESA-N 0 0 411.325 3.355 50 0 HGAARN CC(C)CCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000033260356 558926103 /nfs/dbraw/zinc/92/61/03/558926103.db2.gz OIQSYIVCXYBHSB-UHFFFAOYSA-N 0 0 410.497 3.309 50 0 HGAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4cccc(F)c4)CC3)nn2)nc1 ZINC000072139305 558928930 /nfs/dbraw/zinc/92/89/30/558928930.db2.gz HVIUZENEVZIESS-UHFFFAOYSA-N 0 0 407.453 3.417 50 0 HGAARN NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000011190223 558930421 /nfs/dbraw/zinc/93/04/21/558930421.db2.gz NCBHXLRPQVPIER-UHFFFAOYSA-N 0 0 419.268 3.355 50 0 HGAARN CCN1c2ccc(Br)cc2[C@](O)([C@H]2CCc3ccccc3C2=O)C1=O ZINC000072193813 558931012 /nfs/dbraw/zinc/93/10/12/558931012.db2.gz PBYBVYXKGRMOFY-MGPUTAFESA-N 0 0 400.272 3.449 50 0 HGAARN CN(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(CSCc3ccccc3)s2)C1 ZINC000059745587 558938711 /nfs/dbraw/zinc/93/87/11/558938711.db2.gz KSDDUVLIDXNWPK-HNNXBMFYSA-N 0 0 419.576 3.304 50 0 HGAARN CCS(=O)(=O)c1ccccc1C(=O)NC1CCN(Cc2ccccc2F)CC1 ZINC000059898777 558939964 /nfs/dbraw/zinc/93/99/64/558939964.db2.gz OPHYGVZQPJTIFU-UHFFFAOYSA-N 0 0 404.507 3.014 50 0 HGAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)c1 ZINC000033059109 558943298 /nfs/dbraw/zinc/94/32/98/558943298.db2.gz AANYTODQGDIYHH-QGZVFWFLSA-N 0 0 417.469 3.165 50 0 HGAARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000019618210 558946941 /nfs/dbraw/zinc/94/69/41/558946941.db2.gz TXISLIPHSSIDCD-UHFFFAOYSA-N 0 0 420.561 3.142 50 0 HGAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1C ZINC000021756863 558948498 /nfs/dbraw/zinc/94/84/98/558948498.db2.gz YPANKIFIUNIHOX-UHFFFAOYSA-N 0 0 418.515 3.120 50 0 HGAARN CCOc1ccccc1C(=O)N1CCC[C@]2(C1)NC(=O)N(Cc1ccc(C)cc1)C2=O ZINC000097943867 558950786 /nfs/dbraw/zinc/95/07/86/558950786.db2.gz QBCQSVUDLZQWPO-XMMPIXPASA-N 0 0 421.497 3.121 50 0 HGAARN O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)nc31)CCC2)Nc1cccc(Cl)c1 ZINC000021807641 558952362 /nfs/dbraw/zinc/95/23/62/558952362.db2.gz GZPFKRUWDOGPRN-UHFFFAOYSA-N 0 0 419.872 3.339 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060306 558954691 /nfs/dbraw/zinc/95/46/91/558954691.db2.gz GRTBGLQWKFJVMW-UHFFFAOYSA-N 0 0 416.846 3.103 50 0 HGAARN Cc1noc([C@@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3)nc3ccc(F)cc32)n1 ZINC000063856469 558959570 /nfs/dbraw/zinc/95/95/70/558959570.db2.gz WXYFOEFQLGLRDM-IBGZPJMESA-N 0 0 406.421 3.443 50 0 HGAARN CCN(Cc1ccccn1)C(=O)c1cc(-c2cnc(N)nc2)nc2ccc(F)cc21 ZINC000063872353 558960481 /nfs/dbraw/zinc/96/04/81/558960481.db2.gz XPSSREPJXNUIDE-UHFFFAOYSA-N 0 0 402.433 3.470 50 0 HGAARN Cc1noc([C@@H]2CCCN2C(=O)c2cc(-c3cncnc3)nc3cc(F)ccc32)n1 ZINC000063871324 558960507 /nfs/dbraw/zinc/96/05/07/558960507.db2.gz XNFXQFJBHPWWHT-IBGZPJMESA-N 0 0 404.405 3.500 50 0 HGAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@H](C)CC(=O)Nc3ccccc3Cl)ccc21 ZINC000021872063 558960555 /nfs/dbraw/zinc/96/05/55/558960555.db2.gz YYPMAUUJKOPTNJ-CYBMUJFWSA-N 0 0 420.918 3.440 50 0 HGAARN CCc1noc2nc(C)nc(N3CCC[C@H](C(=O)NCCc4ccccc4OC)C3)c12 ZINC000021881486 558962620 /nfs/dbraw/zinc/96/26/20/558962620.db2.gz LKZGUFLAPZIAFP-KRWDZBQOSA-N 0 0 423.517 3.073 50 0 HGAARN Cc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCCc4ccccc4Cl)C3)c12 ZINC000021881382 558962671 /nfs/dbraw/zinc/96/26/71/558962671.db2.gz MIGZUQLIMQACIK-MRXNPFEDSA-N 0 0 413.909 3.463 50 0 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COc1ccc(NCc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 ZINC000004125481 568915344 /nfs/dbraw/zinc/91/53/44/568915344.db2.gz VPWUCXGRIDTSSC-UHFFFAOYSA-N 0 0 400.460 3.430 50 0 HGAARN COC(=O)c1ccc(OC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000003560601 568915922 /nfs/dbraw/zinc/91/59/22/568915922.db2.gz UDIFFVYPHMLRFL-UHFFFAOYSA-N 0 0 415.401 3.489 50 0 HGAARN CCc1n[nH]c(=O)c(CNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1CC ZINC000083817669 568917671 /nfs/dbraw/zinc/91/76/71/568917671.db2.gz PJGVJYYKXOOQNW-UHFFFAOYSA-N 0 0 404.396 3.378 50 0 HGAARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000003586301 568917748 /nfs/dbraw/zinc/91/77/48/568917748.db2.gz KFMIDJVYVDBTBU-UHFFFAOYSA-N 0 0 420.307 3.487 50 0 HGAARN COc1ccccc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(C)cc1 ZINC000004166625 568919199 /nfs/dbraw/zinc/91/91/99/568919199.db2.gz YCBPFIIPTJDGJD-UHFFFAOYSA-N 0 0 406.471 3.258 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000031209838 568919447 /nfs/dbraw/zinc/91/94/47/568919447.db2.gz 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400.544 3.063 50 0 HGAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(F)ccc1F)CC(=O)N2 ZINC000046075781 568928380 /nfs/dbraw/zinc/92/83/80/568928380.db2.gz GOQSIYPUSPFKNN-SNVBAGLBSA-N 0 0 408.430 3.005 50 0 HGAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)c(=O)nc1sccn12 ZINC000004709570 568929864 /nfs/dbraw/zinc/92/98/64/568929864.db2.gz LIIBUNWTLRBBAB-UHFFFAOYSA-N 0 0 405.888 3.388 50 0 HGAARN COc1cc(CN2C(=O)N(C(C)C)[C@H](N(O)C(=O)NC(C)C)C2(C)C)cc(OC)c1 ZINC000003985293 568931145 /nfs/dbraw/zinc/93/11/45/568931145.db2.gz OWIQHGURPOGCAH-GOSISDBHSA-N 0 0 422.526 3.264 50 0 biogenic HGAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccccc1Br)CC(=O)N2 ZINC000031807800 568931741 /nfs/dbraw/zinc/93/17/41/568931741.db2.gz QOJNAJCZNKFGBP-NSHDSACASA-N 0 0 424.262 3.084 50 0 HGAARN COC(=O)c1ccc(OCC(=O)c2ccc(NC(C)=O)cc2)c(Br)c1 ZINC000031809830 568932305 /nfs/dbraw/zinc/93/23/05/568932305.db2.gz KUKMJHZOABBXNQ-UHFFFAOYSA-N 0 0 406.232 3.456 50 0 HGAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000031810918 568932386 /nfs/dbraw/zinc/93/23/86/568932386.db2.gz MQDJCLBEDARXFS-HNNXBMFYSA-N 0 0 411.878 3.275 50 0 HGAARN COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)c1nc(-c2ccccn2)no1 ZINC000670455598 568933544 /nfs/dbraw/zinc/93/35/44/568933544.db2.gz GZCVNUHNZFPTFC-CYBMUJFWSA-N 0 0 402.476 3.303 50 0 HGAARN Cc1oc(-c2cccs2)nc1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000084052864 568933795 /nfs/dbraw/zinc/93/37/95/568933795.db2.gz IXKFTJXLSYBEFJ-QZTJIDSGSA-N 0 0 409.511 3.437 50 0 HGAARN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)CN(CCc1c[nH]c3ccccc13)C2=O ZINC000004029670 568934513 /nfs/dbraw/zinc/93/45/13/568934513.db2.gz QEQKVPZEYRDXOW-VWLOTQADSA-N 0 0 412.493 3.334 50 0 biogenic HGAARN Cc1cc(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c(C)n1C[C@@H]1CCCO1 ZINC000084079633 568935979 /nfs/dbraw/zinc/93/59/79/568935979.db2.gz AUIKJZXWOUUSMP-QFIPXVFZSA-N 0 0 423.557 3.361 50 0 HGAARN COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCCC1 ZINC000001425807 568939193 /nfs/dbraw/zinc/93/91/93/568939193.db2.gz 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CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1C ZINC000012753154 568942380 /nfs/dbraw/zinc/94/23/80/568942380.db2.gz IBKMWVDVGPLOHQ-UHFFFAOYSA-N 0 0 417.575 3.395 50 0 HGAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000012758852 568943663 /nfs/dbraw/zinc/94/36/63/568943663.db2.gz CIJBDEVIMJJIJC-UHFFFAOYSA-N 0 0 424.469 3.393 50 0 HGAARN COCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(c1=O)S[C@@H](C)C2 ZINC000004108018 568943822 /nfs/dbraw/zinc/94/38/22/568943822.db2.gz WFWKAOTUANSSFU-ZDUSSCGKSA-N 0 0 419.572 3.274 50 0 HGAARN Cn1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c(-c2ccncc2)n1 ZINC000084314226 568945791 /nfs/dbraw/zinc/94/57/91/568945791.db2.gz FRPQUOZHJUBEPB-SFHVURJKSA-N 0 0 409.877 3.342 50 0 HGAARN Cn1c(=O)c2c(SCc3cccc4ccccc43)nc(C3CC3)nc2n(C)c1=O ZINC000004139085 568945953 /nfs/dbraw/zinc/94/59/53/568945953.db2.gz HXYJJNIXYWCPBC-UHFFFAOYSA-N 0 0 404.495 3.350 50 0 HGAARN Cc1c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)sc2nc3n(c(=O)c12)CCC3 ZINC000015535765 568946352 /nfs/dbraw/zinc/94/63/52/568946352.db2.gz OGGSVIRDSGLGCT-UHFFFAOYSA-N 0 0 424.526 3.006 50 0 HGAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(Cl)c1 ZINC000012763488 568947086 /nfs/dbraw/zinc/94/70/86/568947086.db2.gz RKGWBXNHZNNNBN-OAHLLOKOSA-N 0 0 408.907 3.358 50 0 HGAARN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc(F)c(F)c(F)c1F ZINC000084350583 568947155 /nfs/dbraw/zinc/94/71/55/568947155.db2.gz WHZPOVWMPUAJDN-UHFFFAOYSA-N 0 0 401.747 3.085 50 0 HGAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccco1 ZINC000012765392 568947723 /nfs/dbraw/zinc/94/77/23/568947723.db2.gz XVSYCBJBYTWMGS-UHFFFAOYSA-N 0 0 406.504 3.424 50 0 HGAARN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC[C@H]1C1CCCC1 ZINC000084380054 568948443 /nfs/dbraw/zinc/94/84/43/568948443.db2.gz VMDOKNTZURCRCZ-INIZCTEOSA-N 0 0 404.454 3.165 50 0 HGAARN CCOc1ccc(OCCNC(=O)c2ccccc2I)cc1 ZINC000012767085 568948895 /nfs/dbraw/zinc/94/88/95/568948895.db2.gz MNZZDUSIOZDVTR-UHFFFAOYSA-N 0 0 411.239 3.499 50 0 HGAARN CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000012768001 568949526 /nfs/dbraw/zinc/94/95/26/568949526.db2.gz RDVSYLUMNHPKOT-OAHLLOKOSA-N 0 0 415.540 3.224 50 0 HGAARN O=C(C[S@@](=O)Cc1cc(Cl)c2c(c1)OCCCO2)N1CCc2ccccc21 ZINC000084582028 568951481 /nfs/dbraw/zinc/95/14/81/568951481.db2.gz AEOOQXSQJRDMNJ-HHHXNRCGSA-N 0 0 405.903 3.339 50 0 HGAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1nc2ccccc2n1C(F)F ZINC000084600676 568952376 /nfs/dbraw/zinc/95/23/76/568952376.db2.gz AZLBAIUKARVFFL-STQMWFEESA-N 0 0 405.401 3.040 50 0 HGAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000012773908 568953254 /nfs/dbraw/zinc/95/32/54/568953254.db2.gz BFKCULSNHWZQCI-LBPRGKRZSA-N 0 0 421.462 3.491 50 0 HGAARN Cc1c(Cl)cccc1N1CCCn2c3c(nc21)n(C)c(=O)n(CC(C)C)c3=O ZINC000004249386 568954272 /nfs/dbraw/zinc/95/42/72/568954272.db2.gz IKBXFUYRYQCBJI-UHFFFAOYSA-N 0 0 401.898 3.056 50 0 HGAARN CCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2C)n(C)c1=O ZINC000004249384 568954343 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424.906 3.236 50 0 HGAARN CCOC(=O)CC[C@H]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)C1 ZINC000084792617 568959901 /nfs/dbraw/zinc/95/99/01/568959901.db2.gz DOKJMKAUDYOWMH-CQSZACIVSA-N 0 0 424.423 3.482 50 0 HGAARN CCOc1ccc(CC(=O)N2CCC(n3nc(-c4ccccc4)oc3=O)CC2)cc1 ZINC000015669663 568961186 /nfs/dbraw/zinc/96/11/86/568961186.db2.gz PAOKFWIGURVSMZ-UHFFFAOYSA-N 0 0 407.470 3.308 50 0 HGAARN Nc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccc(Br)cc1F ZINC000004316588 568962304 /nfs/dbraw/zinc/96/23/04/568962304.db2.gz XVPLFAQSHKIWDN-UHFFFAOYSA-N 0 0 401.199 3.468 50 0 HGAARN COc1ccc(OC)c(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1 ZINC000004318641 568962891 /nfs/dbraw/zinc/96/28/91/568962891.db2.gz ICUAPDBMMBDYCR-SSZQZOOLSA-N 0 0 405.479 3.195 50 0 HGAARN CC(=O)Oc1cccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1 ZINC000004318629 568962892 /nfs/dbraw/zinc/96/28/92/568962892.db2.gz NFCITMCMAAGFCT-SOXNPBTNSA-N 0 0 403.463 3.103 50 0 HGAARN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000007977226 568963102 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O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@H]1CCSc2ccccc21 ZINC000007988401 568965815 /nfs/dbraw/zinc/96/58/15/568965815.db2.gz XLUVFOHOUKUQCW-MBSDFSHPSA-N 0 0 421.522 3.123 50 0 HGAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677593 568965810 /nfs/dbraw/zinc/96/58/10/568965810.db2.gz LEHNUBYLQINNIO-UHFFFAOYSA-N 0 0 421.541 3.448 50 0 HGAARN COc1ccc(-c2noc(CSCC(=O)NCc3ccc(F)cc3)n2)cc1OC ZINC000015681051 568967819 /nfs/dbraw/zinc/96/78/19/568967819.db2.gz JOURCAFGQONRGP-UHFFFAOYSA-N 0 0 417.462 3.443 50 0 HGAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC(=O)NC3CCCC3)c2C1 ZINC000008007993 568967955 /nfs/dbraw/zinc/96/79/55/568967955.db2.gz OOYMPQYRBZCZIH-AWEZNQCLSA-N 0 0 409.486 3.285 50 0 HGAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccc3c(c1)OCCO3)n2C ZINC000015681779 568968276 /nfs/dbraw/zinc/96/82/76/568968276.db2.gz NIUGBNLIFQDGJH-UHFFFAOYSA-N 0 0 421.453 3.337 50 0 HGAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)Cc2cccs2)c2cccnc2)cc1 ZINC000008026955 568969276 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CCOC(=O)c1ccsc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000012797215 568976401 /nfs/dbraw/zinc/97/64/01/568976401.db2.gz OLNNKIJAKVUZFF-UHFFFAOYSA-N 0 0 417.512 3.214 50 0 HGAARN CCOc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N(C)C ZINC000008146570 568977300 /nfs/dbraw/zinc/97/73/00/568977300.db2.gz RZDDDYVRDFPCJO-UHFFFAOYSA-N 0 0 401.488 3.080 50 0 HGAARN COc1cccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)c1 ZINC000004304394 568977545 /nfs/dbraw/zinc/97/75/45/568977545.db2.gz ASYPNOGCBPTZNR-UHFFFAOYSA-N 0 0 406.438 3.229 50 0 HGAARN Cc1ccc(CN2CCCN(CC(=O)Nc3cc(C)ccc3C)S2(=O)=O)cc1 ZINC000015725866 568978149 /nfs/dbraw/zinc/97/81/49/568978149.db2.gz AJIJBUFEBBEEBW-UHFFFAOYSA-N 0 0 401.532 3.003 50 0 HGAARN NC(=O)NC(=O)[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000008156773 568978183 /nfs/dbraw/zinc/97/81/83/568978183.db2.gz NNJPIHBKVMPKME-MRXNPFEDSA-N 0 0 411.462 3.447 50 0 HGAARN C[C@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000008157408 568978819 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COc1ccc(-n2ccn3c(CCC(=O)Nc4ccc(C)c(C)c4)nnc3c2=O)cc1 ZINC000015736395 568984911 /nfs/dbraw/zinc/98/49/11/568984911.db2.gz PPEFEBQZBNDOHL-UHFFFAOYSA-N 0 0 417.469 3.077 50 0 HGAARN CC(C)(C)n1nnnc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008252744 568985277 /nfs/dbraw/zinc/98/52/77/568985277.db2.gz GGQDNHJHVIQWPC-HNNXBMFYSA-N 0 0 417.535 3.045 50 0 HGAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000008268545 568986166 /nfs/dbraw/zinc/98/61/66/568986166.db2.gz CTLZKXRWMHGDEW-UHFFFAOYSA-N 0 0 417.918 3.448 50 0 HGAARN COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1C ZINC000008275147 568986827 /nfs/dbraw/zinc/98/68/27/568986827.db2.gz QLAKXXLKKPYOSH-GFCCVEGCSA-N 0 0 416.499 3.492 50 0 HGAARN CCCn1c2ccccc2n(CN2CCC(C(=O)NCc3ccccc3)CC2)c1=O ZINC000012813097 568986958 /nfs/dbraw/zinc/98/69/58/568986958.db2.gz JAOCPGBRKXAAJI-UHFFFAOYSA-N 0 0 406.530 3.199 50 0 HGAARN C[C@@]1(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCS(=O)(=O)C1 ZINC000012813474 568987373 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3.158 50 0 biogenic HGAARN CCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036157774 569101932 /nfs/dbraw/zinc/10/19/32/569101932.db2.gz NLDGCHBZNVGZSE-QFIPXVFZSA-N 0 0 421.541 3.172 50 0 HGAARN Cc1cccc(-n2c(=O)c3ccc(C(=O)NCC4CC4)cc3nc2N2CCCC2)c1 ZINC000064819457 569101948 /nfs/dbraw/zinc/10/19/48/569101948.db2.gz LXQLZDPKFDNYDG-UHFFFAOYSA-N 0 0 402.498 3.434 50 0 HGAARN CCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCC(C)C ZINC000036158659 569102449 /nfs/dbraw/zinc/10/24/49/569102449.db2.gz GYISJJKTMFTXMB-OAHLLOKOSA-N 0 0 407.580 3.109 50 0 HGAARN CCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COC(C)(C)C ZINC000036158672 569102465 /nfs/dbraw/zinc/10/24/65/569102465.db2.gz FXAADRSBDNQCAZ-CQSZACIVSA-N 0 0 407.580 3.251 50 0 HGAARN COc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)cc1 ZINC000064841305 569105914 /nfs/dbraw/zinc/10/59/14/569105914.db2.gz LTACWALUEMJOFI-UHFFFAOYSA-N 0 0 407.879 3.262 50 0 HGAARN CCc1ccccc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O ZINC000064838459 569106242 /nfs/dbraw/zinc/10/62/42/569106242.db2.gz PHRZVKVHQIVBTF-UHFFFAOYSA-N 0 0 424.522 3.499 50 0 HGAARN CCc1ccc(S(=O)(=O)N(C)CCc2noc(COc3cccc(C)c3)n2)cc1 ZINC000064841807 569106652 /nfs/dbraw/zinc/10/66/52/569106652.db2.gz NVJAAAMMRJTJHJ-UHFFFAOYSA-N 0 0 415.515 3.383 50 0 HGAARN Cc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3C)n2)c(C)c1 ZINC000064841730 569106833 /nfs/dbraw/zinc/10/68/33/569106833.db2.gz SDPARNFWWHKYDG-UHFFFAOYSA-N 0 0 415.515 3.437 50 0 HGAARN Cc1ccc(C)c(S(=O)(=O)N(C)CCc2noc(COc3ccccc3F)n2)c1 ZINC000064841930 569106931 /nfs/dbraw/zinc/10/69/31/569106931.db2.gz LJGNXDLURQLASX-UHFFFAOYSA-N 0 0 419.478 3.268 50 0 HGAARN CCCCNC(=O)CC1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000064846810 569108335 /nfs/dbraw/zinc/10/83/35/569108335.db2.gz LBLUGKCZCVGJTG-UHFFFAOYSA-N 0 0 407.511 3.263 50 0 HGAARN CCCCNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000006751857 569110628 /nfs/dbraw/zinc/11/06/28/569110628.db2.gz BKOBAILNNWVTFW-UHFFFAOYSA-N 0 0 408.954 3.245 50 0 HGAARN CC[C@@H](C)Nc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000006751872 569110650 /nfs/dbraw/zinc/11/06/50/569110650.db2.gz CUALJOVTCCZSQE-GFCCVEGCSA-N 0 0 402.563 3.288 50 0 HGAARN CCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)N[C@H](C)CC)CC1 ZINC000036210031 569110992 /nfs/dbraw/zinc/11/09/92/569110992.db2.gz PTXCXWNLTSVBLG-AUUYWEPGSA-N 0 0 407.942 3.002 50 0 HGAARN Nc1cc(=O)nc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccc(Cl)cc1 ZINC000006756581 569112724 /nfs/dbraw/zinc/11/27/24/569112724.db2.gz OLELZDLUYKRHAW-UHFFFAOYSA-N 0 0 404.854 3.338 50 0 HGAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCCN2CCOCC2)CO1 ZINC000006759365 569112872 /nfs/dbraw/zinc/11/28/72/569112872.db2.gz IUTODAFKALXPJG-UHFFFAOYSA-N 0 0 406.910 3.273 50 0 HGAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000006769232 569115855 /nfs/dbraw/zinc/11/58/55/569115855.db2.gz CIXXCZUNTRZHSC-UHFFFAOYSA-N 0 0 410.495 3.104 50 0 biogenic HGAARN CCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc2nc(C)c1=O ZINC000064890331 569116258 /nfs/dbraw/zinc/11/62/58/569116258.db2.gz NVSOAEXSOSJHBW-MRXNPFEDSA-N 0 0 415.453 3.295 50 0 HGAARN Cc1nc2cc(-c3noc([C@@H](C)NC(=O)c4ccco4)n3)ccc2n(C(C)C)c1=O ZINC000064890366 569116281 /nfs/dbraw/zinc/11/62/81/569116281.db2.gz KLZKQVWWECNACS-GFCCVEGCSA-N 0 0 407.430 3.420 50 0 HGAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000064891545 569117445 /nfs/dbraw/zinc/11/74/45/569117445.db2.gz PULVEGBCXSKODC-UHFFFAOYSA-N 0 0 404.470 3.450 50 0 HGAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccc(F)c(F)c3)n2)cc1 ZINC000064891574 569117481 /nfs/dbraw/zinc/11/74/81/569117481.db2.gz QPSMSSBUPMFECP-UHFFFAOYSA-N 0 0 412.396 3.111 50 0 HGAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCc4ccccc43)n2)cc1C ZINC000064891903 569117776 /nfs/dbraw/zinc/11/77/76/569117776.db2.gz KOPVXWXFDOGSLG-UHFFFAOYSA-N 0 0 416.481 3.092 50 0 HGAARN Cc1cc(=O)oc2cc(NC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)ccc12 ZINC000006779298 569119319 /nfs/dbraw/zinc/11/93/19/569119319.db2.gz AYIJJHIRUVIVHA-FQEVSTJZSA-N 0 0 404.422 3.361 50 0 HGAARN O=C([C@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1)N1CCc2ccccc2C1 ZINC000036250504 569119343 /nfs/dbraw/zinc/11/93/43/569119343.db2.gz FZINJQXSDLONIM-QHCPKHFHSA-N 0 0 409.574 3.074 50 0 HGAARN O=C(NCc1ccccc1F)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000036255448 569120200 /nfs/dbraw/zinc/12/02/00/569120200.db2.gz YDRFJSKICVVYKB-HSZRJFAPSA-N 0 0 423.532 3.459 50 0 HGAARN Cc1nnc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)s2)o1 ZINC000064919929 569120977 /nfs/dbraw/zinc/12/09/77/569120977.db2.gz SERMXEHIRKCBKG-UHFFFAOYSA-N 0 0 424.935 3.271 50 0 HGAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000006785113 569121561 /nfs/dbraw/zinc/12/15/61/569121561.db2.gz ZNFKQXJYFGCRDI-NVXWUHKLSA-N 0 0 412.515 3.362 50 0 HGAARN CCN(CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000006787968 569122277 /nfs/dbraw/zinc/12/22/77/569122277.db2.gz ZFGHUHDMYWRPBI-UHFFFAOYSA-N 0 0 404.532 3.376 50 0 HGAARN CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)n2C)cc1 ZINC000064922750 569122399 /nfs/dbraw/zinc/12/23/99/569122399.db2.gz QXBHQIVYQPJIIT-UHFFFAOYSA-N 0 0 417.531 3.209 50 0 HGAARN CN(C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000006788285 569122475 /nfs/dbraw/zinc/12/24/75/569122475.db2.gz LMMZDBUPQIMBOC-ZTLYHTANSA-N 0 0 417.571 3.179 50 0 HGAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCc1ccco1 ZINC000064924721 569122709 /nfs/dbraw/zinc/12/27/09/569122709.db2.gz OXWKUNPOONXTRZ-UHFFFAOYSA-N 0 0 408.506 3.111 50 0 HGAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NCCc1ccccc1 ZINC000064924513 569122721 /nfs/dbraw/zinc/12/27/21/569122721.db2.gz LMRMIDHXQIUVOJ-UHFFFAOYSA-N 0 0 418.545 3.171 50 0 HGAARN CC(C)CCNC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928824 569123687 /nfs/dbraw/zinc/12/36/87/569123687.db2.gz IXWHVIGSCZRJQL-INIZCTEOSA-N 0 0 402.926 3.265 50 0 HGAARN Cc1ccc(-n2nc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)ccc2=O)cc1Cl ZINC000064928654 569123728 /nfs/dbraw/zinc/12/37/28/569123728.db2.gz IOKZBDUAUQYKLQ-MRXNPFEDSA-N 0 0 414.937 3.470 50 0 HGAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc2c(s1)CCCC2 ZINC000006789973 569123740 /nfs/dbraw/zinc/12/37/40/569123740.db2.gz NDOYRRXUSFSSPB-MRXNPFEDSA-N 0 0 421.588 3.072 50 0 HGAARN CCOCCCNC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064930397 569124191 /nfs/dbraw/zinc/12/41/91/569124191.db2.gz FEDWZILDIOHIBA-HNNXBMFYSA-N 0 0 421.498 3.203 50 0 HGAARN CCOc1ccccc1CNC(=O)CCCn1c(=O)c2cccn2c2cccnc21 ZINC000006797645 569125340 /nfs/dbraw/zinc/12/53/40/569125340.db2.gz RKIVJBZGRVHROT-UHFFFAOYSA-N 0 0 404.470 3.145 50 0 HGAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)nc(C)n3n2)cc1 ZINC000006798629 569126610 /nfs/dbraw/zinc/12/66/10/569126610.db2.gz YLTNNTDDJFHFFP-TWOQFEAHSA-N 0 0 421.545 3.370 50 0 HGAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N1CCCC1)C2 ZINC000169679205 569126688 /nfs/dbraw/zinc/12/66/88/569126688.db2.gz HYGOUMMSAJEVLG-JTHBVZDNSA-N 0 0 409.505 3.324 50 0 HGAARN CC[C@H](C)NC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(c3ccccc3OC)C[C@@H]12 ZINC000169680086 569126717 /nfs/dbraw/zinc/12/67/17/569126717.db2.gz DWVQGQINMYOOCX-NYDSKATKSA-N 0 0 423.557 3.486 50 0 HGAARN CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679992 569126764 /nfs/dbraw/zinc/12/67/64/569126764.db2.gz XZKSEUOVYCDAFR-UNMCSNQZSA-N 0 0 413.949 3.348 50 0 HGAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)Nc2ccccc2C)c1=O ZINC000064942296 569127032 /nfs/dbraw/zinc/12/70/32/569127032.db2.gz FCDDSMUHXHXSEU-UHFFFAOYSA-N 0 0 408.483 3.130 50 0 HGAARN O=C(NCCc1ccccn1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681185 569127182 /nfs/dbraw/zinc/12/71/82/569127182.db2.gz BTLJEQZLZDMILM-UHFFFAOYSA-N 0 0 423.476 3.065 50 0 HGAARN COc1cccc(Cn2c3cc(C(=O)NC4CCCC4)ccc3n3nccc3c2=O)c1 ZINC000169681129 569127198 /nfs/dbraw/zinc/12/71/98/569127198.db2.gz DBASCIBLWNXJGV-UHFFFAOYSA-N 0 0 416.481 3.379 50 0 HGAARN COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)Nc3ccccc3)c2=O)cc1 ZINC000169681270 569127847 /nfs/dbraw/zinc/12/78/47/569127847.db2.gz UBMLTBYZKVVEMG-UHFFFAOYSA-N 0 0 406.442 3.448 50 0 HGAARN Cc1cccc2c3nn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)n3cnc12 ZINC000064943989 569128130 /nfs/dbraw/zinc/12/81/30/569128130.db2.gz UQYAQUGAUBRJHQ-UHFFFAOYSA-N 0 0 401.348 3.010 50 0 HGAARN CCN1C(=S)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)N2CCOCC2)=C1C ZINC000006802027 569129592 /nfs/dbraw/zinc/12/95/92/569129592.db2.gz PNJQKJFOYAURKZ-INIZCTEOSA-N 0 0 413.465 3.089 50 0 HGAARN CCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)N3CCOCC3)o2)n1 ZINC000006802232 569129759 /nfs/dbraw/zinc/12/97/59/569129759.db2.gz LYIPUBCVQIOVTC-UHFFFAOYSA-N 0 0 404.536 3.243 50 0 HGAARN O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)NCc1ccc(Cl)cc1 ZINC000006802233 569129764 /nfs/dbraw/zinc/12/97/64/569129764.db2.gz UIMGZCOOKOZLRO-UHFFFAOYSA-N 0 0 418.884 3.352 50 0 HGAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCc1ccccn1 ZINC000006803448 569129968 /nfs/dbraw/zinc/12/99/68/569129968.db2.gz VDZDPNNGAMOPJE-UHFFFAOYSA-N 0 0 415.497 3.296 50 0 HGAARN CCCNC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000006807150 569131244 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ZINC000065239839 569203494 /nfs/dbraw/zinc/20/34/94/569203494.db2.gz DDEWAPSAAPNSEJ-UHFFFAOYSA-N 0 0 413.279 3.277 50 0 HGAARN Cc1ccc(NC(=O)Cn2c(=O)c3cc(-c4ccco4)nn3c3ncccc32)cc1F ZINC000065240273 569203825 /nfs/dbraw/zinc/20/38/25/569203825.db2.gz DUMFEFKOCNWUPZ-UHFFFAOYSA-N 0 0 417.400 3.390 50 0 HGAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000036594837 569204506 /nfs/dbraw/zinc/20/45/06/569204506.db2.gz GPEKZMQTFQGABI-QGZVFWFLSA-N 0 0 401.850 3.392 50 0 HGAARN CC1CCN(c2cc(-c3noc(C(=O)NCc4ccc5c(c4)OCO5)n3)ccn2)CC1 ZINC000065246032 569205434 /nfs/dbraw/zinc/20/54/34/569205434.db2.gz YYJCOUVMLAKJNW-UHFFFAOYSA-N 0 0 421.457 3.027 50 0 HGAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CC5)o4)o3)CC2)c1 ZINC000065246380 569205506 /nfs/dbraw/zinc/20/55/06/569205506.db2.gz NIADKXORQDNWGB-UHFFFAOYSA-N 0 0 414.487 3.026 50 0 HGAARN COc1ccc2c(c1)[C@]1(CCN(C(=O)Cc3ccc(OC)cc3Cl)C1)C(=O)N2C ZINC000065249390 569205858 /nfs/dbraw/zinc/20/58/58/569205858.db2.gz ZLLZJWFJWFWDIM-JOCHJYFZSA-N 0 0 414.889 3.046 50 0 biogenic HGAARN COc1ccccc1NC(=O)c1cn(-c2ncccc2-c2nc(C3CC3)no2)cn1 ZINC000065250770 569206273 /nfs/dbraw/zinc/20/62/73/569206273.db2.gz VYGJHAKDCIUCFH-UHFFFAOYSA-N 0 0 402.414 3.456 50 0 HGAARN CC[C@@H](CCNS(=O)(=O)c1cnn(C(F)F)c1)n1nc(C(F)(F)F)cc1C ZINC000036614885 569206883 /nfs/dbraw/zinc/20/68/83/569206883.db2.gz ULTKMQDVGLQRID-JTQLQIEISA-N 0 0 415.388 3.122 50 0 HGAARN CCn1ccc(-c2cc(C(=O)OC)n3nc(C(F)(F)F)c(Br)c3n2)n1 ZINC000036615769 569207040 /nfs/dbraw/zinc/20/70/40/569207040.db2.gz FWDJJABEOGDHFB-UHFFFAOYSA-N 0 0 418.173 3.181 50 0 HGAARN COc1cccc(-c2cc(C(=O)NC[C@H](C)Cn3cccn3)c3c(C)nn(C)c3n2)c1 ZINC000036616006 569207102 /nfs/dbraw/zinc/20/71/02/569207102.db2.gz MTMNPAPXPYDEKA-HNNXBMFYSA-N 0 0 418.501 3.215 50 0 HGAARN CCc1noc(-c2cccnc2N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1 ZINC000065257982 569209939 /nfs/dbraw/zinc/20/99/39/569209939.db2.gz QSQJYTHXHQOAID-UHFFFAOYSA-N 0 0 409.465 3.115 50 0 HGAARN O=C(Cc1cccc(F)c1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1 ZINC000065258086 569210047 /nfs/dbraw/zinc/21/00/47/569210047.db2.gz DQPZJNJNOMTURH-UHFFFAOYSA-N 0 0 421.476 3.430 50 0 HGAARN COc1ccccc1-c1noc(COC(=O)C[C@H]2Sc3ccccc3NC2=O)n1 ZINC000007047726 569211239 /nfs/dbraw/zinc/21/12/39/569211239.db2.gz MQVVKXAWAXSWOF-MRXNPFEDSA-N 0 0 411.439 3.292 50 0 HGAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCn4cccc4)c12)OC(C)(C)CC3 ZINC000524731585 569212308 /nfs/dbraw/zinc/21/23/08/569212308.db2.gz CRQOHPXCVZAUIT-UHFFFAOYSA-N 0 0 410.470 3.202 50 0 biogenic HGAARN Cc1n[nH]c(C)c1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000524734793 569213658 /nfs/dbraw/zinc/21/36/58/569213658.db2.gz PDWXPEVNLNGYSZ-NRFANRHFSA-N 0 0 415.453 3.170 50 0 biogenic HGAARN CN(Cc1ccccc1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000007058916 569214626 /nfs/dbraw/zinc/21/46/26/569214626.db2.gz ZVYZCXGQJHENBY-OAHLLOKOSA-N 0 0 400.862 3.123 50 0 HGAARN COc1ccccc1CNC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000065274304 569215131 /nfs/dbraw/zinc/21/51/31/569215131.db2.gz ODMMHLWZYKWVGQ-UHFFFAOYSA-N 0 0 409.534 3.373 50 0 HGAARN O=C(NCc1ccco1)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1 ZINC000065272125 569215532 /nfs/dbraw/zinc/21/55/32/569215532.db2.gz ZEVXLYZFEBREAZ-UHFFFAOYSA-N 0 0 420.498 3.274 50 0 HGAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272868 569215974 /nfs/dbraw/zinc/21/59/74/569215974.db2.gz BWZRDPGDNCWQNL-CQSZACIVSA-N 0 0 412.511 3.499 50 0 HGAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cc(F)ccc2C)CC3)CC1 ZINC000065273355 569216036 /nfs/dbraw/zinc/21/60/36/569216036.db2.gz JBXBSCQDROUECJ-HNNXBMFYSA-N 0 0 416.522 3.003 50 0 HGAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(C)cc2C)CC3)CC1 ZINC000065273320 569216081 /nfs/dbraw/zinc/21/60/81/569216081.db2.gz CZYMVWXLYLAEFP-QGZVFWFLSA-N 0 0 412.559 3.172 50 0 HGAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(F)cc2C)CC3)CC1 ZINC000065273340 569216108 /nfs/dbraw/zinc/21/61/08/569216108.db2.gz APMGSGHQESYFEQ-OAHLLOKOSA-N 0 0 416.522 3.003 50 0 HGAARN CC(C)Cn1c(=O)c(C(=O)NCc2ccccc2C(F)(F)F)nc2cccnc21 ZINC000065282871 569216380 /nfs/dbraw/zinc/21/63/80/569216380.db2.gz ZPIBUFJFXXLYHW-UHFFFAOYSA-N 0 0 404.392 3.396 50 0 HGAARN CCOc1ccccc1CNC(=O)c1nc2csc(C)c2c(N2CCOCC2)n1 ZINC000065283340 569216549 /nfs/dbraw/zinc/21/65/49/569216549.db2.gz FMHPGVKDBKMFCW-UHFFFAOYSA-N 0 0 412.515 3.165 50 0 HGAARN CCOC(=O)CC1(NC(=O)N2CC[C@@H](c3nc4cccnc4n3C)C2)CCCCC1 ZINC000065285041 569216830 /nfs/dbraw/zinc/21/68/30/569216830.db2.gz LSGKFGNLLCVGRB-MRXNPFEDSA-N 0 0 413.522 3.123 50 0 HGAARN COc1ccccc1OCCNC(=O)[C@H]1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000065289492 569217923 /nfs/dbraw/zinc/21/79/23/569217923.db2.gz XOLXQSUHLLMTDF-SFHVURJKSA-N 0 0 424.545 3.022 50 0 HGAARN Cn1c2cnccc2nc1[C@@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000065292878 569218366 /nfs/dbraw/zinc/21/83/66/569218366.db2.gz ACOIJNALNNEUDF-CQSZACIVSA-N 0 0 404.392 3.426 50 0 HGAARN COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)C5CCC5)CC4)nc32)cc1 ZINC000065296804 569218996 /nfs/dbraw/zinc/21/89/96/569218996.db2.gz KMPFETRQEXBQGB-UHFFFAOYSA-N 0 0 411.531 3.248 50 0 HGAARN COc1ccc2[nH]c(S[C@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)nc2c1 ZINC000007096728 569219560 /nfs/dbraw/zinc/21/95/60/569219560.db2.gz XCHYZMUBNAHFGN-SECBINFHSA-N 0 0 416.528 3.340 50 0 HGAARN COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)N2CCC(C)CC2)cn(C)c1=O ZINC000036685881 569220261 /nfs/dbraw/zinc/22/02/61/569220261.db2.gz LUXLPOCDLIXLKC-UHFFFAOYSA-N 0 0 417.893 3.172 50 0 HGAARN COc1ccc(-n2ncc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2C(F)(F)F)nn1 ZINC000036694617 569221561 /nfs/dbraw/zinc/22/15/61/569221561.db2.gz KCOUQXMILVRLKQ-JTQLQIEISA-N 0 0 409.343 3.320 50 0 HGAARN CC(=O)CC(C)(C)NC(=O)CCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000170043426 569221656 /nfs/dbraw/zinc/22/16/56/569221656.db2.gz GRHUCHQSWPIAPZ-UHFFFAOYSA-N 0 0 413.484 3.087 50 0 HGAARN O=C(Cc1ccccc1Cl)N1CCN(c2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000065313065 569222316 /nfs/dbraw/zinc/22/23/16/569222316.db2.gz VWNYAILTEVAIBF-UHFFFAOYSA-N 0 0 423.826 3.293 50 0 HGAARN O=C(NC1CCN(c2nnc3ccccn32)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000065313152 569222337 /nfs/dbraw/zinc/22/23/37/569222337.db2.gz QMSZJAJQLZEJLL-UHFFFAOYSA-N 0 0 405.380 3.027 50 0 HGAARN CCCc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700239 569222680 /nfs/dbraw/zinc/22/26/80/569222680.db2.gz UGEAMOBNZNIPKZ-QFIPXVFZSA-N 0 0 402.560 3.381 50 0 HGAARN O=C(Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn21)c1cnccn1 ZINC000065320957 569224080 /nfs/dbraw/zinc/22/40/80/569224080.db2.gz IDXQJQATNAOSNT-UHFFFAOYSA-N 0 0 405.487 3.490 50 0 HGAARN Cc1ccc(N2C[C@H](c3nc(Cn4c5ccccc5oc4=O)no3)CC2=O)cc1C ZINC000065330408 569224998 /nfs/dbraw/zinc/22/49/98/569224998.db2.gz UWORRZIXHHQKKL-OAHLLOKOSA-N 0 0 404.426 3.163 50 0 HGAARN COc1ccc2cc3cc(C(=O)NCCN4CCOCC4)sc3nc2c1Cl ZINC000065330804 569225077 /nfs/dbraw/zinc/22/50/77/569225077.db2.gz FKDXYQKUIDIDJI-UHFFFAOYSA-N 0 0 405.907 3.174 50 0 HGAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)c1 ZINC000065330769 569225083 /nfs/dbraw/zinc/22/50/83/569225083.db2.gz OKZNPPFDHQCMTN-AWEZNQCLSA-N 0 0 412.515 3.241 50 0 HGAARN CC[C@H](c1nnc(SCC(=O)NCC(F)(F)F)n1Cc1ccccc1)N(C)C ZINC000007158873 569225980 /nfs/dbraw/zinc/22/59/80/569225980.db2.gz HJDHLCWGDXUFQP-CQSZACIVSA-N 0 0 415.485 3.110 50 0 HGAARN CCOC(=O)C1=C(COC(=O)c2cc3cc(F)ccc3s2)NC(=O)N[C@@H]1CC ZINC000007166128 569226959 /nfs/dbraw/zinc/22/69/59/569226959.db2.gz BGYPTPPDWWYASK-GFCCVEGCSA-N 0 0 406.435 3.106 50 0 HGAARN C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1cc2ccccc2o1 ZINC000007185704 569227668 /nfs/dbraw/zinc/22/76/68/569227668.db2.gz GGMNNVJJXIAPAZ-MYYSRTQBSA-N 0 0 417.465 3.394 50 0 HGAARN CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000036833254 569229969 /nfs/dbraw/zinc/22/99/69/569229969.db2.gz RYYDFRIQOMJTOT-UHFFFAOYSA-N 0 0 412.471 3.143 50 0 HGAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000007235758 569229994 /nfs/dbraw/zinc/22/99/94/569229994.db2.gz FDUNLZDWKVHCMY-LBPRGKRZSA-N 0 0 414.462 3.147 50 0 HGAARN CN(C)C(=O)CSc1ccccc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000036874566 569230819 /nfs/dbraw/zinc/23/08/19/569230819.db2.gz TUNGWGSJJFIKLE-UHFFFAOYSA-N 0 0 408.527 3.325 50 0 HGAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000007287909 569232128 /nfs/dbraw/zinc/23/21/28/569232128.db2.gz FNULWQFTDVMLGO-UHFFFAOYSA-N 0 0 420.469 3.050 50 0 HGAARN C[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@H](c2ccccc2)O1 ZINC000065514521 569233255 /nfs/dbraw/zinc/23/32/55/569233255.db2.gz MYLUISHLWSRZMW-IFXJQAMLSA-N 0 0 400.862 3.054 50 0 HGAARN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCn3cccc3[C@@H]2C)c(C)c1C ZINC000065518501 569233514 /nfs/dbraw/zinc/23/35/14/569233514.db2.gz DMCAEJNPYHLPCP-IBGZPJMESA-N 0 0 417.575 3.302 50 0 HGAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1ncnc2sccc21 ZINC000007329399 569233757 /nfs/dbraw/zinc/23/37/57/569233757.db2.gz FPDLEYJGVZLOJO-CYBMUJFWSA-N 0 0 401.513 3.472 50 0 HGAARN C[C@H](NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccco1 ZINC000007329356 569233775 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CCOc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000007735981 569304897 /nfs/dbraw/zinc/30/48/97/569304897.db2.gz DOXNNZQEUHEHPD-SFHVURJKSA-N 0 0 404.557 3.471 50 0 HGAARN CC(=O)N(C)Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C)cc1 ZINC000007736975 569305027 /nfs/dbraw/zinc/30/50/27/569305027.db2.gz QVNMPTMYQOIUTR-UHFFFAOYSA-N 0 0 414.556 3.421 50 0 HGAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccnn1C1CCCC1 ZINC000007745209 569306213 /nfs/dbraw/zinc/30/62/13/569306213.db2.gz YAQYFZPOEAYOJM-UHFFFAOYSA-N 0 0 403.899 3.358 50 0 HGAARN COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)c1 ZINC000007801324 569311648 /nfs/dbraw/zinc/31/16/48/569311648.db2.gz CRFUYNQMYWJNON-PGRDOPGGSA-N 0 0 410.495 3.311 50 0 HGAARN CCOc1ccc(OCCNC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000007814849 569312683 /nfs/dbraw/zinc/31/26/83/569312683.db2.gz AOODWGAXKJKODZ-FQEVSTJZSA-N 0 0 420.456 3.313 50 0 HGAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 ZINC000007821882 569313035 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COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000002316334 569373129 /nfs/dbraw/zinc/37/31/29/569373129.db2.gz HEDITWRIGPECNA-SNVBAGLBSA-N 0 0 403.529 3.107 50 0 HGAARN COCCOC(=O)c1c(C)n(C)c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000002324345 569375327 /nfs/dbraw/zinc/37/53/27/569375327.db2.gz NTRMABWRHZKVJI-UHFFFAOYSA-N 0 0 421.446 3.197 50 0 HGAARN COCCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc21 ZINC000002337055 569376122 /nfs/dbraw/zinc/37/61/22/569376122.db2.gz XYJGLBDZNUVPTA-UHFFFAOYSA-N 0 0 406.442 3.027 50 0 HGAARN Cc1nc(N2CCC(NC(=O)Nc3ccc4c(c3)OCO4)CC2)cc(C(F)(F)F)n1 ZINC000253472566 569381597 /nfs/dbraw/zinc/38/15/97/569381597.db2.gz NPXCPTQFIAHGCI-UHFFFAOYSA-N 0 0 423.395 3.323 50 0 HGAARN CCCCn1c2nc(CN3C[C@H](C)Oc4c(Cl)cccc43)n(C)c2c(=O)[nH]c1=O ZINC000253630385 569383388 /nfs/dbraw/zinc/38/33/88/569383388.db2.gz RHORCFPCXULKQI-LBPRGKRZSA-N 0 0 417.897 3.077 50 0 HGAARN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)Cc3ccc4n[nH]cc4c3)C2)cc1 ZINC000475526386 569385092 /nfs/dbraw/zinc/38/50/92/569385092.db2.gz FAYQJELFGCMBIO-GOSISDBHSA-N 0 0 405.502 3.474 50 0 HGAARN O=C(Nc1ccc(N2CCOCC2)nc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000055080044 569385670 /nfs/dbraw/zinc/38/56/70/569385670.db2.gz BPLNLKMXIKZJAH-INIZCTEOSA-N 0 0 406.490 3.206 50 0 HGAARN COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2N)cc1Cl ZINC000002366332 569388169 /nfs/dbraw/zinc/38/81/69/569388169.db2.gz BXGZHEZKEPRALX-UHFFFAOYSA-N 0 0 403.895 3.360 50 0 HGAARN CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)c1 ZINC000002371119 569388809 /nfs/dbraw/zinc/38/88/09/569388809.db2.gz XUAUSVVIKDWXDO-UHFFFAOYSA-N 0 0 401.467 3.316 50 0 HGAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)cc1 ZINC000010822180 569397148 /nfs/dbraw/zinc/39/71/48/569397148.db2.gz ZKQXYKJVHIOWRH-UHFFFAOYSA-N 0 0 411.531 3.020 50 0 HGAARN CCCCCn1c(Sc2nc3ccccc3s2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002429464 569398933 /nfs/dbraw/zinc/39/89/33/569398933.db2.gz IRSCSUYQQBSTMS-UHFFFAOYSA-N 0 0 401.517 3.374 50 0 HGAARN 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O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000023108140 559010997 /nfs/dbraw/zinc/01/09/97/559010997.db2.gz OYSIFRQUJAIJJY-JOCHJYFZSA-N 0 0 418.534 3.056 50 0 HGAARN CC(=O)Oc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000023110740 559011921 /nfs/dbraw/zinc/01/19/21/559011921.db2.gz GGOGIAGAKIQKQJ-UHFFFAOYSA-N 0 0 416.499 3.429 50 0 HGAARN C/C=C/c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000023115556 559012896 /nfs/dbraw/zinc/01/28/96/559012896.db2.gz FVXJIABGXOOMQB-SHTLVRLNSA-N 0 0 400.494 3.429 50 0 HGAARN Cc1ccc(-n2ncc3c2c(SCC(=O)NC[C@H]2CCCO2)nnc3C)cc1C ZINC000023137759 559019132 /nfs/dbraw/zinc/01/91/32/559019132.db2.gz HWMAGVVLWMPDGS-QGZVFWFLSA-N 0 0 411.531 3.128 50 0 HGAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000023142128 559020553 /nfs/dbraw/zinc/02/05/53/559020553.db2.gz GXSAJDCRTGUDNL-UHFFFAOYSA-N 0 0 413.861 3.175 50 0 HGAARN CC1CCN(C(=O)CN2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)CC1 ZINC000023145344 559021162 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COc1ccc(OCCSc2nnc(CC(=O)Nc3ccc(C)cc3)n2C)cc1 ZINC000004735989 559035351 /nfs/dbraw/zinc/03/53/51/559035351.db2.gz LCFPGIFVODFODU-UHFFFAOYSA-N 0 0 412.515 3.484 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)CCn2cnc3c(-c4ccccc4)noc3c2=O)cc1 ZINC000033277670 559041048 /nfs/dbraw/zinc/04/10/48/559041048.db2.gz UQMADJPLWQNYMS-UHFFFAOYSA-N 0 0 417.425 3.039 50 0 HGAARN Cc1cccc(CNC(=O)CCn2cnc3c(-c4ccc(F)cc4)noc3c2=O)c1 ZINC000033277800 559041209 /nfs/dbraw/zinc/04/12/09/559041209.db2.gz BWRAGSCZJCGZJW-UHFFFAOYSA-N 0 0 406.417 3.206 50 0 HGAARN CO[C@@H]1CCN(C(=O)CCc2cccc(F)c2F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000097081513 559043399 /nfs/dbraw/zinc/04/33/99/559043399.db2.gz KFQGCDMLBNEAOC-HZPDHXFCSA-N 0 0 412.477 3.428 50 0 HGAARN COc1ccc(CNC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc1OC ZINC000004743392 559044859 /nfs/dbraw/zinc/04/48/59/559044859.db2.gz PBEUQFRYALNTGW-UHFFFAOYSA-N 0 0 411.454 3.382 50 0 biogenic HGAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c(C)o1 ZINC000033291717 559045856 /nfs/dbraw/zinc/04/58/56/559045856.db2.gz XAXSWDVVPSWBKL-UHFFFAOYSA-N 0 0 422.420 3.272 50 0 HGAARN C[C@H]1CCc2c(sc3ncn4c(nc(=O)n4CC(=O)Nc4ccc(F)cc4)c23)C1 ZINC000033289411 559046691 /nfs/dbraw/zinc/04/66/91/559046691.db2.gz ZLZBTFRKYZBGTC-NSHDSACASA-N 0 0 411.462 3.008 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000033289931 559046946 /nfs/dbraw/zinc/04/69/46/559046946.db2.gz ONKQZFDKCQRKEG-UHFFFAOYSA-N 0 0 417.462 3.453 50 0 HGAARN COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(NC(C)=O)c4)C3)sc2c1 ZINC000033293244 559048590 /nfs/dbraw/zinc/04/85/90/559048590.db2.gz QACIEOILMBOJSW-ZDUSSCGKSA-N 0 0 424.482 3.255 50 0 HGAARN CC(C)CNC(=O)[C@@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2ccccc2)C1 ZINC000033302638 559051294 /nfs/dbraw/zinc/05/12/94/559051294.db2.gz FIORGDPKIZFHDT-GOSISDBHSA-N 0 0 424.570 3.495 50 0 HGAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)NCc2ccc(C)cc2)c(=O)n3C(C)C)no1 ZINC000033306803 559051520 /nfs/dbraw/zinc/05/15/20/559051520.db2.gz GYPJGERDRUDBGQ-UHFFFAOYSA-N 0 0 419.485 3.367 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aggregator HGAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1 ZINC000023238695 559064712 /nfs/dbraw/zinc/06/47/12/559064712.db2.gz NIJKXATWVIPGLR-UHFFFAOYSA-N 0 0 422.572 3.369 50 0 HGAARN COc1cc(C=C2SC(=O)NC2=O)ccc1O[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000098086445 559064995 /nfs/dbraw/zinc/06/49/95/559064995.db2.gz QCZBTWHWCZXBLG-MFVBVHDHSA-N 0 0 404.488 3.045 50 0 HGAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cn3c(=O)[nH]c4ccsc4c3=O)cc2)[C@@H]1C ZINC000004790617 559065377 /nfs/dbraw/zinc/06/53/77/559065377.db2.gz WMJVAXRNMPDTRY-CPUCHLNUSA-N 0 0 411.527 3.354 50 0 HGAARN O=C(NCCc1ccccc1Cl)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000004792947 559065718 /nfs/dbraw/zinc/06/57/18/559065718.db2.gz DPAOILUJBOHJLZ-UHFFFAOYSA-N 0 0 419.868 3.305 50 0 aggregator HGAARN Cc1cc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000004801051 559067526 /nfs/dbraw/zinc/06/75/26/559067526.db2.gz OXBCYELNDPNIBR-UHFFFAOYSA-N 0 0 411.527 3.164 50 0 HGAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)c(F)c1 ZINC000033366180 559068977 /nfs/dbraw/zinc/06/89/77/559068977.db2.gz VLSCIKKEWZEBRQ-UHFFFAOYSA-N 0 0 421.403 3.399 50 0 HGAARN CC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3Cl)c(O)c12 ZINC000004812493 559069560 /nfs/dbraw/zinc/06/95/60/559069560.db2.gz DQHHZDFTNOCULU-WBVHZDCISA-N 0 0 402.237 3.317 50 0 HGAARN O=C1CCC2(CCN(Cc3noc(C4CCCC4)n3)CC2)CN1C[C@H]1CCCO1 ZINC000091255743 559070807 /nfs/dbraw/zinc/07/08/07/559070807.db2.gz ZAGWWDYRFOXCAO-GOSISDBHSA-N 0 0 402.539 3.111 50 0 HGAARN CCn1c(C)cc(C(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1C ZINC000091461263 559071644 /nfs/dbraw/zinc/07/16/44/559071644.db2.gz MHAQDEUOTVGQKP-IBGZPJMESA-N 0 0 401.551 3.149 50 0 HGAARN CCC[C@@H]1COCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O ZINC000091657117 559072759 /nfs/dbraw/zinc/07/27/59/559072759.db2.gz UCZIAKPTHSASFX-GFCCVEGCSA-N 0 0 410.301 3.309 50 0 HGAARN COc1cccc(C)c1C(=O)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000091737714 559073359 /nfs/dbraw/zinc/07/33/59/559073359.db2.gz XGRYKFJSJXIGAC-GOSISDBHSA-N 0 0 400.519 3.027 50 0 HGAARN C[C@H](OC(=O)c1ccccc1I)c1nc2ccccc2c(=O)[nH]1 ZINC000011439786 559076121 /nfs/dbraw/zinc/07/61/21/559076121.db2.gz ZZASQEMCWZJCOP-JTQLQIEISA-N 0 0 420.206 3.446 50 0 HGAARN CC(C)c1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000011451423 559076918 /nfs/dbraw/zinc/07/69/18/559076918.db2.gz ZUFQYTPZIABAAF-UHFFFAOYSA-N 0 0 422.572 3.220 50 0 HGAARN Cc1ccc(NC(=O)CN2CCN(CC(=O)N(C(C)C)C3CCCCC3)CC2)cc1 ZINC000023296291 559079070 /nfs/dbraw/zinc/07/90/70/559079070.db2.gz BIDBEJFEHBKHTA-UHFFFAOYSA-N 0 0 414.594 3.121 50 0 HGAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccnnc3)C2)cc1Cl ZINC000095500885 559082271 /nfs/dbraw/zinc/08/22/71/559082271.db2.gz COMXIFDDTAUXLF-CQSZACIVSA-N 0 0 402.882 3.410 50 0 HGAARN CC(C)CCN1C[C@]2(CCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)C2)CCC1=O ZINC000095509656 559083677 /nfs/dbraw/zinc/08/36/77/559083677.db2.gz KYUAWVDAYNVJLN-SFHVURJKSA-N 0 0 400.445 3.319 50 0 HGAARN Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C ZINC000004816139 559088146 /nfs/dbraw/zinc/08/81/46/559088146.db2.gz NOWACPMWPNFQHC-WBVHZDCISA-N 0 0 415.563 3.092 50 0 HGAARN Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C ZINC000004816136 559088202 /nfs/dbraw/zinc/08/82/02/559088202.db2.gz NOWACPMWPNFQHC-NVXWUHKLSA-N 0 0 415.563 3.092 50 0 HGAARN COC(=O)CC1(NC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000095802954 559088553 /nfs/dbraw/zinc/08/85/53/559088553.db2.gz GGOCIPBIGXMLFK-UHFFFAOYSA-N 0 0 406.479 3.246 50 0 HGAARN CCOC(=O)CC1(CNC(=O)OCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000096024086 559089718 /nfs/dbraw/zinc/08/97/18/559089718.db2.gz PRBBQDDJBPZLPG-UHFFFAOYSA-N 0 0 406.479 3.103 50 0 HGAARN C[C@@H](O)c1nc2cc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)ccc2[nH]1 ZINC000096148099 559098732 /nfs/dbraw/zinc/09/87/32/559098732.db2.gz NRHPNWGZEPTIJV-CYBMUJFWSA-N 0 0 403.529 3.021 50 0 HGAARN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000247726706 559113555 /nfs/dbraw/zinc/11/35/55/559113555.db2.gz DXHAXBNQQGPFON-IMBTUZDBSA-N 0 0 415.559 3.075 50 0 HGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C=C/c3ccccc3)c(=O)n2[C@H]1c1ccco1 ZINC000011614223 559114282 /nfs/dbraw/zinc/11/42/82/559114282.db2.gz MNOTYIZPMXVOMY-IVSMPBOBSA-N 0 0 420.490 3.056 50 0 HGAARN COc1cccc(N2CCN([C@H]3CC(=O)N(c4cc(Cl)ccc4C)C3=O)CC2)c1 ZINC000097062819 559114325 /nfs/dbraw/zinc/11/43/25/559114325.db2.gz DBRLSXVETMBSOS-FQEVSTJZSA-N 0 0 413.905 3.111 50 0 HGAARN CS(=O)(=O)c1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1 ZINC000011621068 559115590 /nfs/dbraw/zinc/11/55/90/559115590.db2.gz AEUGODYATKEYRN-UHFFFAOYSA-N 0 0 407.923 3.394 50 0 HGAARN COCCCCC(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000072297598 559119271 /nfs/dbraw/zinc/11/92/71/559119271.db2.gz OJWPERFXMFBQHR-FQEVSTJZSA-N 0 0 418.559 3.256 50 0 HGAARN O=C(NCc1ccccc1)[C@H]1C[C@@H](C(=O)NCc2ccccc2)N1Cc1ccccc1 ZINC000098095607 559126870 /nfs/dbraw/zinc/12/68/70/559126870.db2.gz ZDKQZLBPKVUZJV-PSWAGMNNSA-N 0 0 413.521 3.262 50 0 HGAARN O=C(c1ccc(Br)o1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1 ZINC000098211831 559127523 /nfs/dbraw/zinc/12/75/23/559127523.db2.gz GTASQAAGJARNGR-UHFFFAOYSA-N 0 0 407.293 3.456 50 0 HGAARN COc1cccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)c1OC ZINC000098212615 559127764 /nfs/dbraw/zinc/12/77/64/559127764.db2.gz QAPGJKFSKLPSLO-UHFFFAOYSA-N 0 0 406.486 3.493 50 0 HGAARN CCOc1cccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)c1 ZINC000100247677 559133288 /nfs/dbraw/zinc/13/32/88/559133288.db2.gz QRCDBELHMAGWQB-BWAMLYQTSA-N 0 0 419.525 3.048 50 0 HGAARN O=C(CS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1 ZINC000100269757 559133578 /nfs/dbraw/zinc/13/35/78/559133578.db2.gz VTQGDUTVQLFIPW-HNNXBMFYSA-N 0 0 419.300 3.453 50 0 HGAARN O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1 ZINC000011665749 559146491 /nfs/dbraw/zinc/14/64/91/559146491.db2.gz YTQWOHFNMJWFBX-UHFFFAOYSA-N 0 0 400.225 3.273 50 0 HGAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000004829425 559156419 /nfs/dbraw/zinc/15/64/19/559156419.db2.gz NPDLYVFVMUHHFO-UHFFFAOYSA-N 0 0 400.818 3.294 50 0 HGAARN COc1ccc([C@@H]2CC(=O)c3c[nH]c4nn(-c5nc(C)cc(C)n5)c(=O)c-4c3C2)cc1 ZINC000100137671 559163243 /nfs/dbraw/zinc/16/32/43/559163243.db2.gz LANIAKUPFZZNJA-HNNXBMFYSA-N 0 0 415.453 3.042 50 0 HGAARN Cc1ccc(-n2c(SCC(=O)N3CCNC3=O)nnc2-c2ccccc2F)cc1 ZINC000004836000 559165858 /nfs/dbraw/zinc/16/58/58/559165858.db2.gz QSPAYNDMDIQIAN-UHFFFAOYSA-N 0 0 411.462 3.026 50 0 HGAARN COc1ccc(CCCN(C)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1OC ZINC000011672130 559171399 /nfs/dbraw/zinc/17/13/99/559171399.db2.gz RQOFCJJEYGOPFR-QGZVFWFLSA-N 0 0 400.450 3.360 50 0 HGAARN O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220701232 559176675 /nfs/dbraw/zinc/17/66/75/559176675.db2.gz WQQIFKXOJHPFFD-LBPRGKRZSA-N 0 0 416.840 3.312 50 0 HGAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)n1 ZINC000220788504 559177267 /nfs/dbraw/zinc/17/72/67/559177267.db2.gz NOUBOMFGFFDCIS-GOSISDBHSA-N 0 0 418.497 3.256 50 0 HGAARN COc1ccccc1Nc1ncccc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023606008 559177991 /nfs/dbraw/zinc/17/79/91/559177991.db2.gz YQRQZRCRSATALJ-UHFFFAOYSA-N 0 0 415.453 3.343 50 0 HGAARN Cn1cc(CC(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)c2ccccc21 ZINC000220840535 559178039 /nfs/dbraw/zinc/17/80/39/559178039.db2.gz CXIMNJHHXOYWTF-INIZCTEOSA-N 0 0 416.485 3.042 50 0 HGAARN C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC000004843987 559178165 /nfs/dbraw/zinc/17/81/65/559178165.db2.gz PUPSRUOIBCGTJO-LBSLPOPVSA-N 0 0 418.449 3.299 50 0 HGAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccccc1OCCOC ZINC000050127666 559179178 /nfs/dbraw/zinc/17/91/78/559179178.db2.gz WFFNYGSVSIHIAJ-SFHVURJKSA-N 0 0 400.475 3.083 50 0 HGAARN CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000011694346 559188129 /nfs/dbraw/zinc/18/81/29/559188129.db2.gz LKHBZELWAMZRRH-UHFFFAOYSA-N 0 0 413.449 3.400 50 0 HGAARN O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)Nc1ccc(F)cc1 ZINC000011694589 559188229 /nfs/dbraw/zinc/18/82/29/559188229.db2.gz BDDGWXUZUNMANL-UHFFFAOYSA-N 0 0 410.384 3.270 50 0 HGAARN 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COc1ccc(-n2ccnc2S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000005262952 560553046 /nfs/dbraw/zinc/55/30/46/560553046.db2.gz KIJMHJRUDZOYHI-AWEZNQCLSA-N 0 0 411.483 3.407 50 0 HGAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cccc2ccccc21 ZINC000005263882 560553184 /nfs/dbraw/zinc/55/31/84/560553184.db2.gz MIYRAVMWJABBAZ-UHFFFAOYSA-N 0 0 410.495 3.302 50 0 HGAARN CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C1=O ZINC000101916747 560557774 /nfs/dbraw/zinc/55/77/74/560557774.db2.gz VCEHUQRNYQNTRG-IXDOHACOSA-N 0 0 401.260 3.316 50 0 HGAARN COc1ccc(OC)c2sc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc21 ZINC000005268551 560558301 /nfs/dbraw/zinc/55/83/01/560558301.db2.gz WRLZEGAOJZONTR-UHFFFAOYSA-N 0 0 415.490 3.344 50 0 HGAARN COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000061942404 560562211 /nfs/dbraw/zinc/56/22/11/560562211.db2.gz RDRRXQZPNYLESG-UHFFFAOYSA-N 0 0 424.476 3.163 50 0 HGAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000005304463 560562999 /nfs/dbraw/zinc/56/29/99/560562999.db2.gz ZYPPEOFZFBFERT-UHFFFAOYSA-N 0 0 413.433 3.468 50 0 HGAARN COCCCn1c(C(=O)Nc2cccc(OC)c2)cc2c1nc1c(C)cccn1c2=O ZINC000005306164 560563470 /nfs/dbraw/zinc/56/34/70/560563470.db2.gz FIECAUHVDBAWEM-UHFFFAOYSA-N 0 0 420.469 3.255 50 0 HGAARN Cc1nc2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)cc2s1 ZINC000005298725 560563854 /nfs/dbraw/zinc/56/38/54/560563854.db2.gz ISMZUVXLDMSLKC-CQSZACIVSA-N 0 0 407.542 3.458 50 0 HGAARN O=C(CCNC(=O)c1ccc(Cl)cc1)NCCc1nc(-c2ccc(F)cc2)no1 ZINC000061997301 560564979 /nfs/dbraw/zinc/56/49/79/560564979.db2.gz HTDNQCBWNCLEHR-UHFFFAOYSA-N 0 0 416.840 3.008 50 0 HGAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)NC[C@@H]1CCCO1)COC2=O ZINC000062001684 560565909 /nfs/dbraw/zinc/56/59/09/560565909.db2.gz AUBBNHRLFNDEJS-KAMPRCONSA-N 0 0 417.502 3.247 50 0 biogenic HGAARN COc1ccc([C@@H](C)NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)cc1 ZINC000062006884 560566060 /nfs/dbraw/zinc/56/60/60/560566060.db2.gz MNOAUACEXRSETF-GOSISDBHSA-N 0 0 420.513 3.273 50 0 HGAARN COc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)cc1OC ZINC000062006871 560566082 /nfs/dbraw/zinc/56/60/82/560566082.db2.gz QTAGITTVFYXDGX-UHFFFAOYSA-N 0 0 422.485 3.043 50 0 HGAARN COc1ccc(NC(=O)Cn2cc(-c3ccc(OC)cc3)c(N3CCOCC3)n2)cc1 ZINC000062006913 560566159 /nfs/dbraw/zinc/56/61/59/560566159.db2.gz STYLQTVWXWAHFN-UHFFFAOYSA-N 0 0 422.485 3.043 50 0 HGAARN COc1ccc(CNC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)cc1 ZINC000062007355 560566474 /nfs/dbraw/zinc/56/64/74/560566474.db2.gz OZWAQAQIMXQEEW-UHFFFAOYSA-N 0 0 415.493 3.485 50 0 HGAARN COc1ccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCO)cc1 ZINC000005342683 560568045 /nfs/dbraw/zinc/56/80/45/560568045.db2.gz YZTJQMRLDPMEFB-NRFANRHFSA-N 0 0 407.470 3.335 50 0 HGAARN Cc1ccc(OCc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c(C)c1 ZINC000005321027 560568056 /nfs/dbraw/zinc/56/80/56/560568056.db2.gz LLABZTXULLJAAU-MRXNPFEDSA-N 0 0 411.531 3.157 50 0 HGAARN CCOC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1ccco1 ZINC000005347409 560570617 /nfs/dbraw/zinc/57/06/17/560570617.db2.gz SRQVLBDKKAGSIA-INIZCTEOSA-N 0 0 403.398 3.141 50 0 HGAARN Cc1cc(O[C@H](C)C(=O)NCCCO)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000005350189 560571306 /nfs/dbraw/zinc/57/13/06/560571306.db2.gz IDJLOTSQTTUAKN-QGZVFWFLSA-N 0 0 409.482 3.267 50 0 HGAARN O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc2c(s1)CCCCC2 ZINC000005361855 560571899 /nfs/dbraw/zinc/57/18/99/560571899.db2.gz JEOYCQDZVDBOIG-UHFFFAOYSA-N 0 0 405.497 3.019 50 0 HGAARN CCc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccco3)n2C)n1 ZINC000005364007 560571960 /nfs/dbraw/zinc/57/19/60/560571960.db2.gz SCCDDVOFTGJLPS-UHFFFAOYSA-N 0 0 408.491 3.441 50 0 HGAARN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001467694 560581211 /nfs/dbraw/zinc/58/12/11/560581211.db2.gz DHMQQUVGZPYAOA-LIRRHRJNSA-N 0 0 404.919 3.471 50 0 HGAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O ZINC000005401661 560583986 /nfs/dbraw/zinc/58/39/86/560583986.db2.gz WLAGTTIWNKMSQF-UHFFFAOYSA-N 0 0 405.454 3.343 50 0 HGAARN COc1cc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc(OC)c1OC ZINC000005411503 560584422 /nfs/dbraw/zinc/58/44/22/560584422.db2.gz ANMXSLUGEWCRJS-UHFFFAOYSA-N 0 0 415.471 3.171 50 0 HGAARN CC1=C[C@@H]([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC2=C1C(=O)N(c1ccccc1)C2=O ZINC000005416405 560584689 /nfs/dbraw/zinc/58/46/89/560584689.db2.gz JJEWAJQNVJSFOW-APWZRJJASA-N 0 0 412.445 3.402 50 0 HGAARN CCCOc1ccc(-c2nc3s/c(=C\c4cccc(OC)c4OC)c(=O)n3n2)cc1 ZINC000002260136 560585156 /nfs/dbraw/zinc/58/51/56/560585156.db2.gz DCWMABRTEOXMLF-AQTBWJFISA-N 0 0 423.494 3.172 50 0 HGAARN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1C ZINC000002619582 560585919 /nfs/dbraw/zinc/58/59/19/560585919.db2.gz BTNNBAUXRJSSRE-HOTGVXAUSA-N 0 0 402.516 3.354 50 0 HGAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncnc3sccc32)CC1 ZINC000002640413 560586733 /nfs/dbraw/zinc/58/67/33/560586733.db2.gz AYVHQQUYQHFZHK-UHFFFAOYSA-N 0 0 410.524 3.355 50 0 HGAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000005443428 560587777 /nfs/dbraw/zinc/58/77/77/560587777.db2.gz QTWMUYUPALGCOV-UHFFFAOYSA-N 0 0 401.315 3.239 50 0 HGAARN COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCCC1 ZINC000003517016 560595998 /nfs/dbraw/zinc/59/59/98/560595998.db2.gz YPXBMPJIZFFUCK-UHFFFAOYSA-N 0 0 417.512 3.342 50 0 HGAARN CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCc1ccccc1 ZINC000005488317 560597671 /nfs/dbraw/zinc/59/76/71/560597671.db2.gz YLKYOZDWENUEAE-IBGZPJMESA-N 0 0 405.502 3.297 50 0 HGAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000005509405 560600628 /nfs/dbraw/zinc/60/06/28/560600628.db2.gz OWOAQRXRZSWPLG-ZDUSSCGKSA-N 0 0 416.861 3.420 50 0 HGAARN CC[C@@H](c1nnc(SCC(=O)N2CCCCC2)n1Cc1ccccc1)N(C)C ZINC000004494593 560606390 /nfs/dbraw/zinc/60/63/90/560606390.db2.gz AHXHUYONLCRONS-SFHVURJKSA-N 0 0 401.580 3.444 50 0 HGAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000005538580 560606519 /nfs/dbraw/zinc/60/65/19/560606519.db2.gz YIHBAXVPHWJBJI-INIZCTEOSA-N 0 0 415.563 3.170 50 0 HGAARN CCn1c(SCC(=O)OCC(=O)Nc2c(C)cccc2C)nnc1-c1ccco1 ZINC000005568196 560616242 /nfs/dbraw/zinc/61/62/42/560616242.db2.gz KSCUEHDDPRLDAY-UHFFFAOYSA-N 0 0 414.487 3.449 50 0 HGAARN C[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@@H](c2ccccc2)O1 ZINC000062515277 560625519 /nfs/dbraw/zinc/62/55/19/560625519.db2.gz MYLUISHLWSRZMW-LIRRHRJNSA-N 0 0 400.862 3.054 50 0 HGAARN Cc1ccc(Nc2nc(N)nc(COC(=O)CCC(=O)c3ccc(F)cc3)n2)cc1 ZINC000005321132 560625865 /nfs/dbraw/zinc/62/58/65/560625865.db2.gz WADLATFRMHHFLW-UHFFFAOYSA-N 0 0 409.421 3.351 50 0 HGAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C(C)(C)C)no3)n2N)cc1 ZINC000005349712 560626026 /nfs/dbraw/zinc/62/60/26/560626026.db2.gz UFHCWWJNAIHCED-UHFFFAOYSA-N 0 0 416.507 3.074 50 0 HGAARN CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccnc3)c2)cc1 ZINC000005637699 560635712 /nfs/dbraw/zinc/63/57/12/560635712.db2.gz MXRXQTBMJRYTJA-UHFFFAOYSA-N 0 0 411.483 3.211 50 0 HGAARN Cc1c(C)c2c(OCC(=O)NC[C@@H]3CCCO3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008791659 560638577 /nfs/dbraw/zinc/63/85/77/560638577.db2.gz VROOYHWJGQKECS-HNNXBMFYSA-N 0 0 415.486 3.187 50 0 biogenic HGAARN CCOc1ccccc1NC(=O)CSCC(=O)NCCc1ccc(OC)cc1 ZINC000008772675 560638605 /nfs/dbraw/zinc/63/86/05/560638605.db2.gz KBIYEGMYMLXWFF-UHFFFAOYSA-N 0 0 402.516 3.125 50 0 HGAARN Nn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1C(F)(F)F ZINC000008825611 560639604 /nfs/dbraw/zinc/63/96/04/560639604.db2.gz NQXQLPQFRQOKRJ-UHFFFAOYSA-N 0 0 421.202 3.116 50 0 HGAARN O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000008953889 560640535 /nfs/dbraw/zinc/64/05/35/560640535.db2.gz FTXANSGGQBZSKH-UHFFFAOYSA-N 0 0 419.359 3.056 50 0 HGAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000017328153 560709107 /nfs/dbraw/zinc/70/91/07/560709107.db2.gz BSOSSLPKCOYKKN-IAGOWNOFSA-N 0 0 402.516 3.354 50 0 HGAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000017328157 560709270 /nfs/dbraw/zinc/70/92/70/560709270.db2.gz BSOSSLPKCOYKKN-CALCHBBNSA-N 0 0 402.516 3.354 50 0 HGAARN O=C(CNC(=S)N(Cc1ccccc1)Cc1cccnc1)NCCc1ccccc1 ZINC000017441069 560716517 /nfs/dbraw/zinc/71/65/17/560716517.db2.gz OHUGYMSRMYDCHG-UHFFFAOYSA-N 0 0 418.566 3.317 50 0 HGAARN COc1ccccc1CCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000017845858 560729339 /nfs/dbraw/zinc/72/93/39/560729339.db2.gz FMTBCNFYUPOSHV-UHFFFAOYSA-N 0 0 402.907 3.255 50 0 HGAARN Nc1n[nH]c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1 ZINC000017885412 560729792 /nfs/dbraw/zinc/72/97/92/560729792.db2.gz SZXYQZOFHAITDO-CYBMUJFWSA-N 0 0 402.867 3.103 50 0 HGAARN Cc1ccc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)n2N)c(C)c1 ZINC000017951378 560731187 /nfs/dbraw/zinc/73/11/87/560731187.db2.gz PURLOCIACZNUOB-IYBDPMFKSA-N 0 0 403.552 3.069 50 0 HGAARN COc1cc(CN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)ccc1OC(F)F ZINC000017958167 560731276 /nfs/dbraw/zinc/73/12/76/560731276.db2.gz CHGXIBMBTVERDQ-UHFFFAOYSA-N 0 0 413.442 3.113 50 0 HGAARN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)nn12 ZINC000002850368 560732547 /nfs/dbraw/zinc/73/25/47/560732547.db2.gz BEXHPVWNFBPNIA-UHFFFAOYSA-N 0 0 400.514 3.350 50 0 HGAARN CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@H](C)Oc1ccccc1 ZINC000004519814 560735744 /nfs/dbraw/zinc/73/57/44/560735744.db2.gz LKBODUMQYITSGU-NSHDSACASA-N 0 0 404.521 3.329 50 0 HGAARN CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@@H](C)Oc1ccccc1 ZINC000004519812 560735750 /nfs/dbraw/zinc/73/57/50/560735750.db2.gz LKBODUMQYITSGU-LLVKDONJSA-N 0 0 404.521 3.329 50 0 HGAARN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000004816308 560736473 /nfs/dbraw/zinc/73/64/73/560736473.db2.gz ALYCVWKIZZNVCJ-ZDUSSCGKSA-N 0 0 412.471 3.415 50 0 HGAARN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc2c(c1)OCCO2 ZINC000004820937 560736562 /nfs/dbraw/zinc/73/65/62/560736562.db2.gz MWUDDUHNTYMPIB-UHFFFAOYSA-N 0 0 410.451 3.337 50 0 HGAARN Cc1csc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)n1 ZINC000004974166 560736722 /nfs/dbraw/zinc/73/67/22/560736722.db2.gz XKYNAORLAAQEOR-GOSISDBHSA-N 0 0 415.540 3.288 50 0 HGAARN 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/nfs/dbraw/zinc/86/80/87/568868087.db2.gz LUBKAKSUHFMNOQ-UHFFFAOYSA-N 0 0 407.207 3.037 50 0 HGAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)C1 ZINC000012595976 568869040 /nfs/dbraw/zinc/86/90/40/568869040.db2.gz XENMPQYIRCWZAU-BETUJISGSA-N 0 0 405.589 3.470 50 0 HGAARN COc1ccc([C@@H](NC(=O)Cc2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1 ZINC000012601347 568870069 /nfs/dbraw/zinc/87/00/69/568870069.db2.gz UXTMALSCSMBMHK-HSZRJFAPSA-N 0 0 418.497 3.004 50 0 HGAARN Cc1sc2[nH]c(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)nc(=O)c2c1C ZINC000003270180 568870302 /nfs/dbraw/zinc/87/03/02/568870302.db2.gz VODSJSAPQXRLLJ-UHFFFAOYSA-N 0 0 406.393 3.322 50 0 HGAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000003271116 568870452 /nfs/dbraw/zinc/87/04/52/568870452.db2.gz YYHNQDTYLGFHFW-CQSZACIVSA-N 0 0 401.459 3.388 50 0 HGAARN Cc1ccn2cc(C(=O)N(C)CC(=O)Nc3ccccc3Br)nc2c1 ZINC000012603892 568870556 /nfs/dbraw/zinc/87/05/56/568870556.db2.gz IPTNKUUSABVEBZ-UHFFFAOYSA-N 0 0 401.264 3.116 50 0 HGAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1C ZINC000012605131 568870967 /nfs/dbraw/zinc/87/09/67/568870967.db2.gz RBHQXCIRMBTOKX-UHFFFAOYSA-N 0 0 408.545 3.162 50 0 HGAARN O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCC1=CCCCC1 ZINC000003276456 568871063 /nfs/dbraw/zinc/87/10/63/568871063.db2.gz DNNWEGBYNBNOKN-UHFFFAOYSA-N 0 0 413.301 3.273 50 0 HGAARN CN(Cc1ccno1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O ZINC000299755685 568872724 /nfs/dbraw/zinc/87/27/24/568872724.db2.gz BOPPHGAKZCGXPA-DEOSSOPVSA-N 0 0 417.465 3.017 50 0 HGAARN COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3ccsc3)CCC(=O)N2)cc1OC ZINC000299768260 568873927 /nfs/dbraw/zinc/87/39/27/568873927.db2.gz SBSUCZVVQKXZAV-QFIPXVFZSA-N 0 0 416.543 3.395 50 0 HGAARN CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1 ZINC000299767346 568874020 /nfs/dbraw/zinc/87/40/20/568874020.db2.gz KALDYACPIMRIAN-JTHBVZDNSA-N 0 0 417.484 3.364 50 0 HGAARN COC(=O)[C@@H](CNC(=O)Nc1ccc2c(C)cc(=O)oc2c1)Cc1ccc(F)cc1 ZINC000058008794 568875029 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CCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000004061958 568881572 /nfs/dbraw/zinc/88/15/72/568881572.db2.gz XFEVYGOFGKAHNI-TZYHBYERSA-N 0 0 402.535 3.390 50 0 biogenic HGAARN CCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000004062565 568881778 /nfs/dbraw/zinc/88/17/78/568881778.db2.gz COYIMEITIZUVMK-TZYHBYERSA-N 0 0 404.551 3.375 50 0 biogenic HGAARN Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)c(Br)c1 ZINC000003332713 568882265 /nfs/dbraw/zinc/88/22/65/568882265.db2.gz QTWJOPDVZIGTTC-UHFFFAOYSA-N 0 0 420.292 3.170 50 0 HGAARN COc1ccc(CC(=O)OCC(=O)Nc2nc3ccc(C)cc3s2)cc1OC ZINC000003332144 568882301 /nfs/dbraw/zinc/88/23/01/568882301.db2.gz GOFXMNJTKFKTBT-UHFFFAOYSA-N 0 0 400.456 3.346 50 0 HGAARN CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)n1 ZINC000003333566 568882497 /nfs/dbraw/zinc/88/24/97/568882497.db2.gz YWGOFHSHGDFTFY-LLVKDONJSA-N 0 0 407.517 3.326 50 0 HGAARN COCCn1ccc2c1cccc2OCC(=O)N[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000263587698 568883359 /nfs/dbraw/zinc/88/33/59/568883359.db2.gz KFYXGFNFONFUEC-LJQANCHMSA-N 0 0 424.497 3.487 50 0 HGAARN COCCn1ccc2c1cccc2OCC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000263588242 568883668 /nfs/dbraw/zinc/88/36/68/568883668.db2.gz QTDYUFMQUHKLHJ-QHCPKHFHSA-N 0 0 418.497 3.306 50 0 HGAARN Cn1c(=O)c2ccccc2nc1SCc1nc2ccc(Cl)cc2n1CCO ZINC000003344636 568884363 /nfs/dbraw/zinc/88/43/63/568884363.db2.gz KBCXZEXRWXPOGF-UHFFFAOYSA-N 0 0 400.891 3.221 50 0 HGAARN Cc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000003348055 568884888 /nfs/dbraw/zinc/88/48/88/568884888.db2.gz NKUYZFQQKJXSCX-LJQANCHMSA-N 0 0 416.275 3.163 50 0 HGAARN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000003347144 568884791 /nfs/dbraw/zinc/88/47/91/568884791.db2.gz ULOHCOCPXAPYNC-UHFFFAOYSA-N 0 0 406.385 3.022 50 0 HGAARN Cc1ccc(C(=O)NCC(=O)OCCOc2ccc(Br)cc2)cc1C ZINC000003359744 568887566 /nfs/dbraw/zinc/88/75/66/568887566.db2.gz IOWQBXUYHNAPEU-UHFFFAOYSA-N 0 0 406.276 3.418 50 0 HGAARN CCN1CCN(C(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)CC1 ZINC000058119787 568887849 /nfs/dbraw/zinc/88/78/49/568887849.db2.gz DGPICUYIHINYMI-UHFFFAOYSA-N 0 0 401.580 3.322 50 0 HGAARN Cc1cc(C(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O)c(C)n1Cc1cccs1 ZINC000003360814 568888074 /nfs/dbraw/zinc/88/80/74/568888074.db2.gz YWGOHBCQSAQUPA-QGZVFWFLSA-N 0 0 405.520 3.024 50 0 HGAARN O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)c1ccccc1 ZINC000003364674 568888941 /nfs/dbraw/zinc/88/89/41/568888941.db2.gz XYRBTHHVRJCWSY-UHFFFAOYSA-N 0 0 416.282 3.088 50 0 HGAARN CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000003367671 568889285 /nfs/dbraw/zinc/88/92/85/568889285.db2.gz YAAQXIPVCFBGBR-HXUWFJFHSA-N 0 0 418.497 3.394 50 0 HGAARN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCC(=O)c1c[nH]c2ccccc12 ZINC000003379062 568891985 /nfs/dbraw/zinc/89/19/85/568891985.db2.gz NTBCLWAICCJKQT-UHFFFAOYSA-N 0 0 422.462 3.026 50 0 HGAARN COCCn1c(SCc2nnc(-c3cccs3)o2)nnc1-c1ccncc1 ZINC000003379001 568892055 /nfs/dbraw/zinc/89/20/55/568892055.db2.gz LWQDQOUYLGAEGP-UHFFFAOYSA-N 0 0 400.489 3.390 50 0 HGAARN Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)no1 ZINC000003386425 568893415 /nfs/dbraw/zinc/89/34/15/568893415.db2.gz NTIXJUBKZOQKHR-UHFFFAOYSA-N 0 0 406.471 3.416 50 0 HGAARN CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2I)c1 ZINC000003391447 568894566 /nfs/dbraw/zinc/89/45/66/568894566.db2.gz BRFYRFIVIBZPFN-UHFFFAOYSA-N 0 0 423.206 3.289 50 0 HGAARN Cc1ccc(-n2c(SCC(=O)NC(N)=O)nnc2-c2ccc(Cl)cc2)cc1 ZINC000003400112 568896011 /nfs/dbraw/zinc/89/60/11/568896011.db2.gz VTAPPPFDQKVZEY-UHFFFAOYSA-N 0 0 401.879 3.183 50 0 HGAARN CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003411297 568898123 /nfs/dbraw/zinc/89/81/23/568898123.db2.gz DBNSNDRLMKXDOI-UHFFFAOYSA-N 0 0 416.421 3.363 50 0 HGAARN COc1ccc(CCN2C[C@@H](C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1OC ZINC000003413772 568898677 /nfs/dbraw/zinc/89/86/77/568898677.db2.gz ONCHBCXBLZWPMI-FPOVZHCZSA-N 0 0 422.525 3.289 50 0 HGAARN CN(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 ZINC000003417345 568899258 /nfs/dbraw/zinc/89/92/58/568899258.db2.gz IWNJTXQTRJDTOB-MSOLQXFVSA-N 0 0 411.527 3.101 50 0 HGAARN CCCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC)cc1)N1CCCCCC1=N2 ZINC000003426069 568900654 /nfs/dbraw/zinc/90/06/54/568900654.db2.gz RYDLVLYZMASOMD-FQEVSTJZSA-N 0 0 410.518 3.365 50 0 HGAARN O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003434187 568902454 /nfs/dbraw/zinc/90/24/54/568902454.db2.gz JZIGRGOUNOYEPX-UHFFFAOYSA-N 0 0 417.556 3.085 50 0 HGAARN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)c1ccc3c(c1)-c1ccccc1C3)CS2 ZINC000003441829 568903903 /nfs/dbraw/zinc/90/39/03/568903903.db2.gz YFMAAIWMVWNIAG-XXBNENTESA-N 0 0 407.491 3.438 50 0 HGAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1 ZINC000003442922 568904080 /nfs/dbraw/zinc/90/40/80/568904080.db2.gz KTPBKJATGGMRDS-GFCCVEGCSA-N 0 0 419.457 3.230 50 0 HGAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1=O ZINC000003443930 568904270 /nfs/dbraw/zinc/90/42/70/568904270.db2.gz AAGXCFDEQSRRCK-DEOSSOPVSA-N 0 0 405.498 3.045 50 0 HGAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nnnn1-c1ccccc1 ZINC000003447489 568904840 /nfs/dbraw/zinc/90/48/40/568904840.db2.gz PQWAXPPEUPINKI-UHFFFAOYSA-N 0 0 410.787 3.409 50 0 HGAARN Nn1c(SCc2nc3ccc(Cl)cc3n2CCO)nnc1C1CCCCC1 ZINC000003448613 568905177 /nfs/dbraw/zinc/90/51/77/568905177.db2.gz YLEQHZSUPMBOKY-UHFFFAOYSA-N 0 0 406.943 3.327 50 0 HGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2nc(C)cc(C)n2n1 ZINC000003466993 568907534 /nfs/dbraw/zinc/90/75/34/568907534.db2.gz UWWYTDXLZHFEDY-UHFFFAOYSA-N 0 0 419.532 3.327 50 0 HGAARN O=C(NC[C@H]1COc2ccccc2O1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030982481 568907624 /nfs/dbraw/zinc/90/76/24/568907624.db2.gz DRJXOOMCRAURGA-KRWDZBQOSA-N 0 0 421.419 3.377 50 0 HGAARN Cc1ccc(Nc2nnc(SCC(=O)NC(=O)NCc3ccco3)s2)cc1 ZINC000003469819 568907704 /nfs/dbraw/zinc/90/77/04/568907704.db2.gz BWWIAKBRNTVIHC-UHFFFAOYSA-N 0 0 403.489 3.301 50 0 HGAARN COC(=O)C[C@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(Cl)cc1 ZINC000030992356 568907828 /nfs/dbraw/zinc/90/78/28/568907828.db2.gz AYJLWMJADGJZPZ-SFHVURJKSA-N 0 0 400.862 3.283 50 0 HGAARN Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C ZINC000012680919 568907929 /nfs/dbraw/zinc/90/79/29/568907929.db2.gz NPOFIEVNVGUEBS-UHFFFAOYSA-N 0 0 400.422 3.445 50 0 HGAARN CC(C)[C@@H]1Cc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c23)CO1 ZINC000001245556 568908482 /nfs/dbraw/zinc/90/84/82/568908482.db2.gz INDRJUNYNNCJMC-AWEZNQCLSA-N 0 0 415.540 3.122 50 0 HGAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000003488836 568909175 /nfs/dbraw/zinc/90/91/75/568909175.db2.gz VDRGKTIGRBAZAG-IRXDYDNUSA-N 0 0 410.470 3.040 50 0 HGAARN Cc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccoc4)CC3)c(=O)oc2c1 ZINC000031038741 568910149 /nfs/dbraw/zinc/91/01/49/568910149.db2.gz RALAXKWYQUHCSU-UHFFFAOYSA-N 0 0 422.481 3.356 50 0 HGAARN Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)c(Br)c1 ZINC000003504206 568910683 /nfs/dbraw/zinc/91/06/83/568910683.db2.gz YYXXQTVMLNVJNA-UHFFFAOYSA-N 0 0 404.293 3.464 50 0 HGAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)NC(=O)NCc1ccco1 ZINC000003514095 568911353 /nfs/dbraw/zinc/91/13/53/568911353.db2.gz YRJAESGGYDUBIS-UHFFFAOYSA-N 0 0 419.393 3.271 50 0 HGAARN O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1nc(C2CCCCC2)no1 ZINC000263618671 568912004 /nfs/dbraw/zinc/91/20/04/568912004.db2.gz UXRPLOISIDDOJG-UHFFFAOYSA-N 0 0 405.458 3.134 50 0 HGAARN O=C(NCc1ccccc1)c1nnn2c1CO[C@@H](c1ccc(Br)cc1)C2 ZINC000263618960 568912116 /nfs/dbraw/zinc/91/21/16/568912116.db2.gz WGWGNJJLKOQCII-QGZVFWFLSA-N 0 0 413.275 3.242 50 0 HGAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 ZINC000003526063 568912423 /nfs/dbraw/zinc/91/24/23/568912423.db2.gz LZOZGRCIVOHJCU-UHFFFAOYSA-N 0 0 421.474 3.478 50 0 HGAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1c(F)cccc1F ZINC000003525841 568912441 /nfs/dbraw/zinc/91/24/41/568912441.db2.gz BYFPHOLSMSPLOE-SFHVURJKSA-N 0 0 420.412 3.398 50 0 aggregator HGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C(=O)OC)c1 ZINC000031084337 568912627 /nfs/dbraw/zinc/91/26/27/568912627.db2.gz OKIHLCAWTQTYJK-UHFFFAOYSA-N 0 0 402.516 3.066 50 0 HGAARN O=C(Nc1ccccc1I)c1coc(=O)c(Br)c1 ZINC000001300071 568913347 /nfs/dbraw/zinc/91/33/47/568913347.db2.gz YXVXPSJJFQNLNC-UHFFFAOYSA-N 0 0 420.000 3.259 50 0 HGAARN C[C@H](OC(=O)c1ccccc1I)C(=O)N1CCc2ccccc21 ZINC000003544592 568914228 /nfs/dbraw/zinc/91/42/28/568914228.db2.gz QOKVCWFXVJZQMV-LBPRGKRZSA-N 0 0 421.234 3.426 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCCc3cccs3)CC2)cc1 ZINC000025778862 568914877 /nfs/dbraw/zinc/91/48/77/568914877.db2.gz RQBMHMRXLBHEIT-UHFFFAOYSA-N 0 0 406.573 3.302 50 0 HGAARN CNC(=O)NC(=O)[C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000003558306 568915479 /nfs/dbraw/zinc/91/54/79/568915479.db2.gz UNNAQKHKWFAGBI-QGZVFWFLSA-N 0 0 418.482 3.105 50 0 HGAARN CNC(=O)NC(=O)[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 ZINC000003558325 568915741 /nfs/dbraw/zinc/91/57/41/568915741.db2.gz DFKOWMABQNEZMH-QGZVFWFLSA-N 0 0 407.499 3.434 50 0 HGAARN C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O ZINC000003563457 568915959 /nfs/dbraw/zinc/91/59/59/568915959.db2.gz IDLRDCLFLQHYPI-GOSISDBHSA-N 0 0 405.223 3.238 50 0 HGAARN NC(=O)c1ccc(CN(C(=O)c2ccc(I)cc2)C2CC2)cc1 ZINC000031169772 568916836 /nfs/dbraw/zinc/91/68/36/568916836.db2.gz WKTVNXNUQMWVGH-UHFFFAOYSA-N 0 0 420.250 3.195 50 0 HGAARN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 ZINC000004566438 568916957 /nfs/dbraw/zinc/91/69/57/568916957.db2.gz MXXGKCWWLJFGLX-HXUWFJFHSA-N 0 0 412.486 3.187 50 0 HGAARN COc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc(OC)c1 ZINC000001361904 568917205 /nfs/dbraw/zinc/91/72/05/568917205.db2.gz JVYQDWRVJCFZJS-INIZCTEOSA-N 0 0 418.515 3.052 50 0 HGAARN CCn1nc(C)c([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)c1C ZINC000012704470 568917366 /nfs/dbraw/zinc/91/73/66/568917366.db2.gz DXKGGYPVXUIVBF-PTLVVNQVSA-N 0 0 408.546 3.466 50 0 HGAARN CCOc1ccc(Oc2ccc(S(=O)(=O)NC(CC)(CC)C(N)=O)cc2)cc1 ZINC000058439303 568918800 /nfs/dbraw/zinc/91/88/00/568918800.db2.gz XMXDJAQXBZLSPQ-UHFFFAOYSA-N 0 0 406.504 3.200 50 0 HGAARN COc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1 ZINC000004166334 568918991 /nfs/dbraw/zinc/91/89/91/568918991.db2.gz PNYVAWDGDVHCEG-UHFFFAOYSA-N 0 0 406.471 3.009 50 0 HGAARN Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 ZINC000004166086 568919010 /nfs/dbraw/zinc/91/90/10/568919010.db2.gz UIUNCRRZLSZKJW-UHFFFAOYSA-N 0 0 401.470 3.455 50 0 HGAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000003610524 568919965 /nfs/dbraw/zinc/91/99/65/568919965.db2.gz BZBOKBPVAWJGGN-LJQANCHMSA-N 0 0 401.260 3.407 50 0 HGAARN C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc(Br)c1 ZINC000031286250 568922123 /nfs/dbraw/zinc/92/21/23/568922123.db2.gz GJMPOSBZOKGPDC-ZFWWWQNUSA-N 0 0 402.292 3.070 50 0 HGAARN C[C@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000001388664 568923333 /nfs/dbraw/zinc/92/33/33/568923333.db2.gz JFRLJFSARJMTRB-KRWDZBQOSA-N 0 0 402.299 3.298 50 0 HGAARN O=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl ZINC000001391942 568924514 /nfs/dbraw/zinc/92/45/14/568924514.db2.gz GURLMPQXTYDJPU-UHFFFAOYSA-N 0 0 402.697 3.306 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1Cl ZINC000012737841 568925286 /nfs/dbraw/zinc/92/52/86/568925286.db2.gz IKFJSSVGVASNLR-UHFFFAOYSA-N 0 0 406.851 3.205 50 0 HGAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012737812 568925298 /nfs/dbraw/zinc/92/52/98/568925298.db2.gz NAJDFLHWOVFZKU-CYBMUJFWSA-N 0 0 402.900 3.010 50 0 HGAARN COc1ccc(Cn2cccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2=O)cc1 ZINC000001397101 568926458 /nfs/dbraw/zinc/92/64/58/568926458.db2.gz LHGCSVHLZGLDOF-UHFFFAOYSA-N 0 0 424.453 3.183 50 0 HGAARN Nc1ncnc2sc3c(c21)CCN(C(=O)[C@@H]1COc2ccc(Cl)cc2C1)C3 ZINC000012739017 568926473 /nfs/dbraw/zinc/92/64/73/568926473.db2.gz LHJOJTKSCZSIFL-NSHDSACASA-N 0 0 400.891 3.063 50 0 HGAARN COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000012741775 568929680 /nfs/dbraw/zinc/92/96/80/568929680.db2.gz HPTUQKBQLLBQLP-UHFFFAOYSA-N 0 0 408.498 3.163 50 0 HGAARN Cc1ccccc1CN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000031773820 568930840 /nfs/dbraw/zinc/93/08/40/568930840.db2.gz HQEAZCXRHKYRFH-FCHUYYIVSA-N 0 0 412.555 3.133 50 0 HGAARN Cc1cc(C(=O)CN2C(=O)CNC2=O)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000012748302 568934464 /nfs/dbraw/zinc/93/44/64/568934464.db2.gz WWYFMXDNRWLYNG-UHFFFAOYSA-N 0 0 401.466 3.477 50 0 HGAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(OC)c1OC ZINC000001418578 568934949 /nfs/dbraw/zinc/93/49/49/568934949.db2.gz PGAJLFCDCJEJPL-LJQANCHMSA-N 0 0 421.457 3.232 50 0 HGAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)cc1 ZINC000012749548 568937314 /nfs/dbraw/zinc/93/73/14/568937314.db2.gz GJDUUYSXYTVTPL-XMMPIXPASA-N 0 0 406.482 3.310 50 0 HGAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000004073790 568937888 /nfs/dbraw/zinc/93/78/88/568937888.db2.gz QQIHCFGOCLDCLG-FYSMJZIKSA-N 0 0 411.498 3.204 50 0 biogenic HGAARN CCc1c(-c2ccccc2)n(-c2ccccc2C)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000001423540 568938499 /nfs/dbraw/zinc/93/84/99/568938499.db2.gz RJQJQMAMYIYXKK-UHFFFAOYSA-N 0 0 413.481 3.213 50 0 HGAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)no1 ZINC000084119775 568938954 /nfs/dbraw/zinc/93/89/54/568938954.db2.gz VQDANHOWVDNWEJ-LSDHHAIUSA-N 0 0 423.560 3.313 50 0 HGAARN COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)c(Br)c32)cc1OC ZINC000001425412 568939020 /nfs/dbraw/zinc/93/90/20/568939020.db2.gz JMBAPPUEYLHLDC-IBGZPJMESA-N 0 0 420.259 3.187 50 0 HGAARN COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Oc3c4ccccc4n(C)c(=O)c32)cc1 ZINC000001429547 568939797 /nfs/dbraw/zinc/93/97/97/568939797.db2.gz HWUDNVIYVKNWTR-MRXNPFEDSA-N 0 0 401.422 3.378 50 0 HGAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NC[C@H]4CCCO4)ccc32)cc1 ZINC000004084704 568939974 /nfs/dbraw/zinc/93/99/74/568939974.db2.gz JJXGCKNTACJKER-GOSISDBHSA-N 0 0 409.438 3.143 50 0 biogenic HGAARN COc1cc(CCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC ZINC000004806409 568940042 /nfs/dbraw/zinc/94/00/42/568940042.db2.gz OKRKAXKXIMINMH-UHFFFAOYSA-N 0 0 413.470 3.316 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000004085520 568940324 /nfs/dbraw/zinc/94/03/24/568940324.db2.gz HQTGHYULAIDMAV-VOTSOKGWSA-N 0 0 413.470 3.328 50 0 biogenic HGAARN CC(C)N1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000004087246 568940759 /nfs/dbraw/zinc/94/07/59/568940759.db2.gz XQBQQZMLJHPXPR-UHFFFAOYSA-N 0 0 407.923 3.284 50 0 HGAARN Cc1ccc(NC(=O)COc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000012752419 568941708 /nfs/dbraw/zinc/94/17/08/568941708.db2.gz ZRMVOQYJUQQTJD-UHFFFAOYSA-N 0 0 406.479 3.326 50 0 HGAARN COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000012759543 568943774 /nfs/dbraw/zinc/94/37/74/568943774.db2.gz WWLDMQSKHAZANO-UHFFFAOYSA-N 0 0 421.472 3.384 50 0 HGAARN CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc1OC ZINC000004113735 568944208 /nfs/dbraw/zinc/94/42/08/568944208.db2.gz SSGDWFSNUXAYIC-IBGZPJMESA-N 0 0 406.479 3.080 50 0 HGAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)n(-c2ccccc2C)n1 ZINC000012760830 568945280 /nfs/dbraw/zinc/94/52/80/568945280.db2.gz FSZOKBCQBLGVCL-UHFFFAOYSA-N 0 0 409.465 3.137 50 0 HGAARN COC(=O)c1cc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)ccc1OC ZINC000012761361 568945764 /nfs/dbraw/zinc/94/57/64/568945764.db2.gz MDHODVWYYBEPPF-UHFFFAOYSA-N 0 0 405.454 3.086 50 0 HGAARN COCCn1c(SCC(=O)NCc2ccccc2)nnc1-c1c[nH]c2ccccc21 ZINC000004138661 568945832 /nfs/dbraw/zinc/94/58/32/568945832.db2.gz WKWRQJJEPMKPQS-UHFFFAOYSA-N 0 0 421.526 3.481 50 0 HGAARN Cc1cccc(CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000004139190 568945990 /nfs/dbraw/zinc/94/59/90/568945990.db2.gz IMNWXKCPOXCRIX-UHFFFAOYSA-N 0 0 410.524 3.356 50 0 HGAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000012762593 568946551 /nfs/dbraw/zinc/94/65/51/568946551.db2.gz NSCPQXCCDHUOAS-HXUWFJFHSA-N 0 0 407.514 3.003 50 0 HGAARN Cc1csc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)n1 ZINC000004164599 568947712 /nfs/dbraw/zinc/94/77/12/568947712.db2.gz YGQMNYGOBIBVKE-UHFFFAOYSA-N 0 0 400.464 3.426 50 0 HGAARN C[C@@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl)c1ccccc1 ZINC000004170048 568948182 /nfs/dbraw/zinc/94/81/82/568948182.db2.gz BXCYKFKBHXOFNV-CYBMUJFWSA-N 0 0 409.877 3.298 50 0 HGAARN O=C(CCC1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012766103 568948418 /nfs/dbraw/zinc/94/84/18/568948418.db2.gz GLNWXCSIRYCEJC-UHFFFAOYSA-N 0 0 400.928 3.270 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000012767904 568949535 /nfs/dbraw/zinc/94/95/35/568949535.db2.gz XMUCVMGNLDEYLA-UHFFFAOYSA-N 0 0 419.503 3.381 50 0 HGAARN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000004183019 568949560 /nfs/dbraw/zinc/94/95/60/568949560.db2.gz LAWOSTXONICGPM-SFHVURJKSA-N 0 0 407.919 3.243 50 0 HGAARN CCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004182949 568949604 /nfs/dbraw/zinc/94/96/04/568949604.db2.gz GIWQMOMCFXRJRX-IBGZPJMESA-N 0 0 417.527 3.314 50 0 HGAARN O=C(CN1CCn2cccc2[C@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000084525734 568950502 /nfs/dbraw/zinc/95/05/02/568950502.db2.gz WQGSTLTWKLCPCY-RUZDIDTESA-N 0 0 416.525 3.368 50 0 HGAARN NC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(Br)c1 ZINC000084560085 568951110 /nfs/dbraw/zinc/95/11/10/568951110.db2.gz APZIUHAFHLNHKD-INIZCTEOSA-N 0 0 400.232 3.061 50 0 HGAARN O=C(C[S@](=O)Cc1cc(Cl)c2c(c1)OCCCO2)N1CCc2ccccc21 ZINC000084582029 568951504 /nfs/dbraw/zinc/95/15/04/568951504.db2.gz AEOOQXSQJRDMNJ-MHZLTWQESA-N 0 0 405.903 3.339 50 0 HGAARN Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCC3)CC2)cc1Br ZINC000012770956 568951699 /nfs/dbraw/zinc/95/16/99/568951699.db2.gz LXKFVGCJKWGHHB-UHFFFAOYSA-N 0 0 408.340 3.030 50 0 HGAARN C[C@@H](NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C)c1ccccc1 ZINC000012772971 568952597 /nfs/dbraw/zinc/95/25/97/568952597.db2.gz QDZFCDJNKJNCJC-KDOFPFPSSA-N 0 0 410.499 3.297 50 0 HGAARN O=C(CN1CC[C@@H](Oc2ccccn2)C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000084613279 568953061 /nfs/dbraw/zinc/95/30/61/568953061.db2.gz PVSAGCUBUQESAH-CYBMUJFWSA-N 0 0 405.380 3.069 50 0 HGAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000012774219 568953386 /nfs/dbraw/zinc/95/33/86/568953386.db2.gz PHZZXUSJZGRENW-UHFFFAOYSA-N 0 0 412.393 3.366 50 0 HGAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)C[C@H](c2ccccc2F)C1=O ZINC000084636312 568953875 /nfs/dbraw/zinc/95/38/75/568953875.db2.gz FKIKTWJYDLGXKR-OXJNMPFZSA-N 0 0 408.473 3.496 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccco3)CC2)c(C)c1 ZINC000012775614 568954445 /nfs/dbraw/zinc/95/44/45/568954445.db2.gz FOTFPNCXCCUHSG-SFHVURJKSA-N 0 0 418.559 3.435 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccco3)CC2)c(C)c1 ZINC000012775618 568954484 /nfs/dbraw/zinc/95/44/84/568954484.db2.gz FOTFPNCXCCUHSG-GOSISDBHSA-N 0 0 418.559 3.435 50 0 HGAARN O=C(NCCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012776823 568955147 /nfs/dbraw/zinc/95/51/47/568955147.db2.gz QLFPXNSPCMOTGA-AWEZNQCLSA-N 0 0 412.964 3.161 50 0 HGAARN C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000012776413 568954999 /nfs/dbraw/zinc/95/49/99/568954999.db2.gz UWFRCHUIXOOLHR-LBPRGKRZSA-N 0 0 409.891 3.396 50 0 HGAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(C)[nH]c1=O ZINC000012776860 568955360 /nfs/dbraw/zinc/95/53/60/568955360.db2.gz HUQZOASSCPVKSM-UHFFFAOYSA-N 0 0 413.396 3.002 50 0 HGAARN O=C1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3)cc3c2N1CC3 ZINC000004270399 568956849 /nfs/dbraw/zinc/95/68/49/568956849.db2.gz XVJCFWSSTLNWBG-UHFFFAOYSA-N 0 0 407.289 3.085 50 0 HGAARN CSc1ncccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000015645045 568957421 /nfs/dbraw/zinc/95/74/21/568957421.db2.gz CIGIVUAIFYUNPG-UHFFFAOYSA-N 0 0 411.936 3.494 50 0 HGAARN O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012781059 568957745 /nfs/dbraw/zinc/95/77/45/568957745.db2.gz LUVIEDNJXJJUBS-UHFFFAOYSA-N 0 0 407.392 3.253 50 0 HGAARN CCOc1ccc(C2=NC3=NC(C)=C(C(N)=O)[C@H](c4ccccc4Cl)N3N2)cc1 ZINC000004279804 568958595 /nfs/dbraw/zinc/95/85/95/568958595.db2.gz XULVHRHUYWVPIN-SFHVURJKSA-N 0 0 409.877 3.176 50 0 HGAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000012783986 568958890 /nfs/dbraw/zinc/95/88/90/568958890.db2.gz LHYFDRGQCOXOGD-RDTXWAMCSA-N 0 0 422.934 3.288 50 0 HGAARN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000007977230 568962943 /nfs/dbraw/zinc/96/29/43/568962943.db2.gz IPZKTRHVWATSHS-HXUWFJFHSA-N 0 0 412.486 3.032 50 0 HGAARN COc1ccc(-c2noc(N3CCC(C(=O)NCCc4ccsc4)CC3)n2)cc1 ZINC000015674948 568963188 /nfs/dbraw/zinc/96/31/88/568963188.db2.gz QJVQCBGJYRQXPN-UHFFFAOYSA-N 0 0 412.515 3.382 50 0 HGAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C ZINC000015674862 568963457 /nfs/dbraw/zinc/96/34/57/568963457.db2.gz ZMIAIYGEEYIVFL-MRXNPFEDSA-N 0 0 421.522 3.368 50 0 HGAARN CCN(CC)c1ccc2nnc(CCC(=O)Nc3cc(Cl)ccc3OC)n2n1 ZINC000015678813 568966664 /nfs/dbraw/zinc/96/66/64/568966664.db2.gz VJGOTTRZSHQLSX-UHFFFAOYSA-N 0 0 402.886 3.204 50 0 HGAARN COCc1nc2sc(C(=O)NCCc3ccc(OC)cc3)c(C)c2c(OC)n1 ZINC000007991064 568967216 /nfs/dbraw/zinc/96/72/16/568967216.db2.gz VHTDBWXGXSZEOA-UHFFFAOYSA-N 0 0 401.488 3.136 50 0 HGAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)[nH]n2)cc1C ZINC000015680711 568967579 /nfs/dbraw/zinc/96/75/79/568967579.db2.gz AIZUNQNTOMYHRW-UHFFFAOYSA-N 0 0 406.461 3.431 50 0 HGAARN CC(C)Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)NC(C)C)cn2C)cc1 ZINC000012790301 568967708 /nfs/dbraw/zinc/96/77/08/568967708.db2.gz JNZDOUUZGULLRR-INIZCTEOSA-N 0 0 405.564 3.401 50 0 HGAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nnc(C2CC2)n1N ZINC000008010867 568968106 /nfs/dbraw/zinc/96/81/06/568968106.db2.gz JUGRIAVCIIYOMI-UHFFFAOYSA-N 0 0 423.564 3.037 50 0 HGAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)N1CCC2(CC1)OCCO2 ZINC000015681501 568968136 /nfs/dbraw/zinc/96/81/36/568968136.db2.gz UJFZJHMXMMEQLR-UHFFFAOYSA-N 0 0 406.486 3.259 50 0 HGAARN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000005035675 568969120 /nfs/dbraw/zinc/96/91/20/568969120.db2.gz UKAXBRSDTPRIBG-MRXNPFEDSA-N 0 0 413.474 3.413 50 0 HGAARN COc1cc(CC(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)cc(OC)c1OC ZINC000015705181 568969626 /nfs/dbraw/zinc/96/96/26/568969626.db2.gz NQQNQQGDNYKKQL-OAHLLOKOSA-N 0 0 401.459 3.442 50 0 HGAARN CCOc1cc2c(cc1CNS(=O)(=O)c1ccc3c(c1)OCCCO3)O[C@H](C)C2 ZINC000008058717 568970798 /nfs/dbraw/zinc/97/07/98/568970798.db2.gz SWBMSMOQLRBMHK-CQSZACIVSA-N 0 0 419.499 3.049 50 0 HGAARN COc1cc(OC)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1OC ZINC000008075893 568972505 /nfs/dbraw/zinc/97/25/05/568972505.db2.gz SYJTYNBJNOIDSY-SNVBAGLBSA-N 0 0 404.488 3.250 50 0 HGAARN CNS(=O)(=O)c1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 ZINC000008087945 568973209 /nfs/dbraw/zinc/97/32/09/568973209.db2.gz YYMRYSUJEYMTCT-UHFFFAOYSA-N 0 0 415.471 3.031 50 0 HGAARN Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)[O-])=NC3=[NH+]2)cc1 ZINC000038161729 568974058 /nfs/dbraw/zinc/97/40/58/568974058.db2.gz QFBRPESVYFHLCU-OALUTQOASA-N 0 0 419.485 3.084 50 0 HGAARN O=C(COc1ccc(Cl)cc1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000008130965 568975385 /nfs/dbraw/zinc/97/53/85/568975385.db2.gz MCUXSZXETOTBTC-CQSZACIVSA-N 0 0 406.331 3.331 50 0 HGAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnnn2Cc2cccs2)c1C ZINC000008131540 568975446 /nfs/dbraw/zinc/97/54/46/568975446.db2.gz BXWGJNTUWFRRGS-ZDUSSCGKSA-N 0 0 405.549 3.384 50 0 HGAARN COc1ccccc1NC(=O)COc1coc(CN2CCc3ccccc32)cc1=O ZINC000004304383 568977484 /nfs/dbraw/zinc/97/74/84/568977484.db2.gz DRNMINOZDCZQOO-UHFFFAOYSA-N 0 0 406.438 3.229 50 0 HGAARN CCOc1ccc([C@H](CNC(=O)c2cc(F)cc(F)c2)N2CCOCC2)cc1OC ZINC000012802762 568979026 /nfs/dbraw/zinc/97/90/26/568979026.db2.gz ASYNGNMRFLKREQ-IBGZPJMESA-N 0 0 420.456 3.175 50 0 HGAARN Cc1nnc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1Cc1ccccc1 ZINC000012808825 568980726 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Cc1cccc(OCCSc2nc(-c3ccc4c(c3)OCO4)nc3cc(=O)[nH]n32)c1 ZINC000015732586 568982813 /nfs/dbraw/zinc/98/28/13/568982813.db2.gz IVEYWWUVMKAPTF-UHFFFAOYSA-N 0 0 422.466 3.293 50 0 HGAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCC4)nn3)c2C)cc1 ZINC000015734378 568983657 /nfs/dbraw/zinc/98/36/57/568983657.db2.gz DPOMODOWPFAJEH-UHFFFAOYSA-N 0 0 420.517 3.459 50 0 HGAARN O=C1Cc2cc(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)ccc2N1 ZINC000008231469 568984071 /nfs/dbraw/zinc/98/40/71/568984071.db2.gz XIGVDSANIXBBNU-UHFFFAOYSA-N 0 0 413.524 3.359 50 0 HGAARN CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1NCC(=O)Nc1ccc(F)cc1C ZINC000015735853 568984577 /nfs/dbraw/zinc/98/45/77/568984577.db2.gz SWGBHHGPVRCLKM-UHFFFAOYSA-N 0 0 415.490 3.452 50 0 HGAARN COc1ccc(CNC(=O)Cn2nc(-n3cccc3)c3c2nc(C)cc3C)cc1OC ZINC000015735918 568984581 /nfs/dbraw/zinc/98/45/81/568984581.db2.gz PCOPCLLRVWQUJR-UHFFFAOYSA-N 0 0 419.485 3.172 50 0 HGAARN COc1cc(C(=O)N[C@H](C(=O)NC2CCCCCC2)C(C)C)cc(OC)c1OC ZINC000006049849 568984599 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Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000006943897 569187023 /nfs/dbraw/zinc/18/70/23/569187023.db2.gz ZKEBEFPOQGCCNE-CQSZACIVSA-N 0 0 404.422 3.277 50 0 HGAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000006943902 569187025 /nfs/dbraw/zinc/18/70/25/569187025.db2.gz ZKEBEFPOQGCCNE-AWEZNQCLSA-N 0 0 404.422 3.277 50 0 HGAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCc1cccc(C)c1)nc2C ZINC000006944069 569187045 /nfs/dbraw/zinc/18/70/45/569187045.db2.gz WTXLBADRHBHHSH-SFHVURJKSA-N 0 0 415.497 3.385 50 0 HGAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NC1CCCC1)nc2C ZINC000006944763 569187232 /nfs/dbraw/zinc/18/72/32/569187232.db2.gz QUUZYPDPYHJGOV-UHFFFAOYSA-N 0 0 407.518 3.346 50 0 HGAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCc1ccccc1)nc2C ZINC000006944655 569187267 /nfs/dbraw/zinc/18/72/67/569187267.db2.gz DJVMHCFYESRUSP-SFHVURJKSA-N 0 0 415.497 3.385 50 0 HGAARN Cc1ccc(CNC(=O)CN2c3ccccc3[C@](O)(c3cccc(F)c3)C2=O)cc1 ZINC000065155379 569188140 /nfs/dbraw/zinc/18/81/40/569188140.db2.gz PYQGUKXBPMUEIU-XMMPIXPASA-N 0 0 404.441 3.033 50 0 HGAARN COc1ccc(-n2nc(C(=O)NCc3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000006950367 569189358 /nfs/dbraw/zinc/18/93/58/569189358.db2.gz HZILOWMEGKSSER-UHFFFAOYSA-N 0 0 403.413 3.463 50 0 HGAARN COc1ccc(-c2noc(CN3CCCN(C(=O)c4ccccc4C)CC3)n2)cc1 ZINC000065172402 569189684 /nfs/dbraw/zinc/18/96/84/569189684.db2.gz WCNGWUOUKFHIPW-UHFFFAOYSA-N 0 0 406.486 3.402 50 0 HGAARN O=S(=O)(c1cccn2cnnc12)N(Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000065185219 569191544 /nfs/dbraw/zinc/19/15/44/569191544.db2.gz OAGRKTNGFKHORV-UHFFFAOYSA-N 0 0 400.410 3.403 50 0 HGAARN CCn1c2ccccc2nc1SCC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000006974762 569192313 /nfs/dbraw/zinc/19/23/13/569192313.db2.gz ONXNQSUSENGOBS-UHFFFAOYSA-N 0 0 415.540 3.353 50 0 HGAARN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)NCc2ccc(F)cc2Cl)o1 ZINC000065194124 569192721 /nfs/dbraw/zinc/19/27/21/569192721.db2.gz UESKNDZEGMZDRZ-UHFFFAOYSA-N 0 0 412.874 3.271 50 0 HGAARN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCc2ccc(C)o2)c1C ZINC000065194622 569192850 /nfs/dbraw/zinc/19/28/50/569192850.db2.gz OVCXMGQSDVSTCO-UHFFFAOYSA-N 0 0 404.492 3.432 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc(-c3nc(-c4ccc(F)cc4)no3)ccc2=O)cc1C ZINC000065197511 569193024 /nfs/dbraw/zinc/19/30/24/569193024.db2.gz SCHWSFBLEXNCHP-UHFFFAOYSA-N 0 0 419.416 3.355 50 0 HGAARN COc1ccc([C@@H](C)NC(=O)c2nn(-c3ccc(F)c(F)c3)c(OC)cc2=O)cc1 ZINC000065198001 569193231 /nfs/dbraw/zinc/19/32/31/569193231.db2.gz OHMRJRKYAUHRIT-GFCCVEGCSA-N 0 0 415.396 3.019 50 0 HGAARN COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nncn3c2)cc1 ZINC000065199155 569193590 /nfs/dbraw/zinc/19/35/90/569193590.db2.gz XIJVUNACASKXIM-UHFFFAOYSA-N 0 0 412.446 3.273 50 0 HGAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4ccc(OC)cc4C)CC3=O)ccc21 ZINC000065195443 569194230 /nfs/dbraw/zinc/19/42/30/569194230.db2.gz YRTMBUULIMXQOO-KRWDZBQOSA-N 0 0 421.497 3.294 50 0 HGAARN Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc(F)cc4)no3)CCC2=O)c(C)c1 ZINC000065197203 569195108 /nfs/dbraw/zinc/19/51/08/569195108.db2.gz OZIDYXCGAIOPGY-UHFFFAOYSA-N 0 0 421.432 3.458 50 0 HGAARN COc1ccc([C@H](C)NC(=O)Cn2c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000065202520 569195221 /nfs/dbraw/zinc/19/52/21/569195221.db2.gz VKVLYIVRNYEBIA-INIZCTEOSA-N 0 0 402.454 3.073 50 0 HGAARN COC(=O)c1ccc(NC(=O)Cn2c3cccnc3n(C3CCCCC3)c2=O)cc1 ZINC000065202641 569195224 /nfs/dbraw/zinc/19/52/24/569195224.db2.gz KGLUTWAADFNDBE-UHFFFAOYSA-N 0 0 408.458 3.129 50 0 HGAARN Cc1nnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000006985271 569195811 /nfs/dbraw/zinc/19/58/11/569195811.db2.gz MSYKPVLWYIORIC-CYBMUJFWSA-N 0 0 416.528 3.311 50 0 HGAARN CCCCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1 ZINC000006996640 569197134 /nfs/dbraw/zinc/19/71/34/569197134.db2.gz QZNNYFSZPBNPBH-UHFFFAOYSA-N 0 0 402.929 3.141 50 0 HGAARN C[C@H]1CCCN(c2ccc(-c3noc(CN4CCN(c5ccccn5)CC4)n3)cn2)C1 ZINC000065216100 569197610 /nfs/dbraw/zinc/19/76/10/569197610.db2.gz ZYGSZCWAJBPRCP-SFHVURJKSA-N 0 0 419.533 3.085 50 0 HGAARN O=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)NCc1ccc(F)cc1F ZINC000065220210 569197986 /nfs/dbraw/zinc/19/79/86/569197986.db2.gz PVDUITFAIJIJII-UHFFFAOYSA-N 0 0 407.420 3.446 50 0 HGAARN CN1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)c2nc3ccccc3nc21 ZINC000007003975 569198269 /nfs/dbraw/zinc/19/82/69/569198269.db2.gz SBSAVFQHJCUGFW-UHFFFAOYSA-N 0 0 401.470 3.243 50 0 HGAARN CCOc1ccc(N2C(=O)N(Cc3ccccc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000007005725 569198428 /nfs/dbraw/zinc/19/84/28/569198428.db2.gz VDCLWNQGMNKVGW-UXHICEINSA-N 0 0 400.500 3.002 50 0 HGAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)cc2)n1 ZINC000007006879 569199765 /nfs/dbraw/zinc/19/97/65/569199765.db2.gz LQRMTRAMWJUKDS-UHFFFAOYSA-N 0 0 402.454 3.283 50 0 HGAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4cccc(OC)c4)CC3)o2)cc1 ZINC000065229752 569200618 /nfs/dbraw/zinc/20/06/18/569200618.db2.gz BBXWCJQAXZKBIA-UHFFFAOYSA-N 0 0 422.485 3.287 50 0 HGAARN Cc1cc(C)c2c(n1)nc(C(=O)N(C)Cc1ccccc1)nc2N1CCSCC1 ZINC000065232067 569201293 /nfs/dbraw/zinc/20/12/93/569201293.db2.gz RHIUFXPVZLDZQW-UHFFFAOYSA-N 0 0 407.543 3.467 50 0 HGAARN COc1ccc(NC(=O)CC[C@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000036596805 569201519 /nfs/dbraw/zinc/20/15/19/569201519.db2.gz LWONZIAPRMHXGK-HXUWFJFHSA-N 0 0 420.469 3.263 50 0 HGAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)NCc3cccnc3)cc2C1=O ZINC000065241596 569201841 /nfs/dbraw/zinc/20/18/41/569201841.db2.gz NAXJEBSZVHOLHY-UHFFFAOYSA-N 0 0 424.482 3.118 50 0 HGAARN Cc1oc(C2CCN(S(=O)(=O)c3cccs3)CC2)nc1C(=O)N1CCCCC1 ZINC000065232374 569202008 /nfs/dbraw/zinc/20/20/08/569202008.db2.gz FOIQMRMMZHPVCM-UHFFFAOYSA-N 0 0 423.560 3.239 50 0 HGAARN CCN1c2ccccc2C(=O)NC12CCN(C(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000065235474 569202327 /nfs/dbraw/zinc/20/23/27/569202327.db2.gz IUVWNSJXQHAVGM-UHFFFAOYSA-N 0 0 422.485 3.052 50 0 biogenic HGAARN CN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)NCCc1ccccc1)CC2 ZINC000065235536 569202421 /nfs/dbraw/zinc/20/24/21/569202421.db2.gz IUCGRWDFPQATRT-UHFFFAOYSA-N 0 0 412.921 3.264 50 0 biogenic HGAARN O=C(Nc1ccc(F)c(F)c1)C1CCN(c2cc(N3CCSCC3)ncn2)CC1 ZINC000065237088 569202771 /nfs/dbraw/zinc/20/27/71/569202771.db2.gz ZWOMLQFLOAPGAU-UHFFFAOYSA-N 0 0 419.501 3.163 50 0 HGAARN C=C1C(N2CCCN(C(=O)CC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239492 569203342 /nfs/dbraw/zinc/20/33/42/569203342.db2.gz PNIPSXYAHNAZAU-UHFFFAOYSA-N 0 0 417.575 3.357 50 0 HGAARN C=C1C(N2CCCN(C(=O)[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239535 569203502 /nfs/dbraw/zinc/20/35/02/569203502.db2.gz YPXFGVBDBFSKNX-INIZCTEOSA-N 0 0 417.575 3.302 50 0 HGAARN CN1c2ncccc2Oc2ccc(S(=O)(=O)NC3CCCCCC3)cc2C1=O ZINC000065241511 569204193 /nfs/dbraw/zinc/20/41/93/569204193.db2.gz ORWQIXJXEUKOKS-UHFFFAOYSA-N 0 0 401.488 3.465 50 0 HGAARN COc1ccc(-n2c(SCC(=O)NC(C)C)nnc2[C@H](C)N2CCCCC2)cc1 ZINC000007023191 569204444 /nfs/dbraw/zinc/20/44/44/569204444.db2.gz OHHUCCCRLQFYJM-INIZCTEOSA-N 0 0 417.579 3.440 50 0 HGAARN O=C(c1nc(-c2ccnc(N3CCCCC3)c2)no1)N1CCN(c2ccccc2)CC1 ZINC000065245927 569205408 /nfs/dbraw/zinc/20/54/08/569205408.db2.gz BBVANCURPXGHHZ-UHFFFAOYSA-N 0 0 418.501 3.084 50 0 HGAARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)nc2cc(-c3ccccn3)nn21 ZINC000065246129 569205439 /nfs/dbraw/zinc/20/54/39/569205439.db2.gz BIYRIPFSCWFSJW-UHFFFAOYSA-N 0 0 414.469 3.189 50 0 HGAARN Cc1nnc(-c2coc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2)o1 ZINC000065246519 569205599 /nfs/dbraw/zinc/20/55/99/569205599.db2.gz SRUFIIGVSLHWRL-UHFFFAOYSA-N 0 0 422.894 3.111 50 0 HGAARN CCCCN1C(=O)[C@](C)(C(=O)NCc2ccc(F)c(Cl)c2)Oc2cccnc21 ZINC000065242053 569205765 /nfs/dbraw/zinc/20/57/65/569205765.db2.gz GIGJPOXXLNPUDX-FQEVSTJZSA-N 0 0 405.857 3.475 50 0 HGAARN Cc1c(C(=O)NCc2ccccc2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065251496 569205856 /nfs/dbraw/zinc/20/58/56/569205856.db2.gz HLTRENUQGKQOII-UHFFFAOYSA-N 0 0 400.442 3.433 50 0 HGAARN CN(Cc1ccccc1)C(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000065251122 569206478 /nfs/dbraw/zinc/20/64/78/569206478.db2.gz XOEPTEYUNLFYPT-UHFFFAOYSA-N 0 0 400.442 3.467 50 0 HGAARN Cc1c(C(=O)NCc2ccncc2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC000065251334 569206618 /nfs/dbraw/zinc/20/66/18/569206618.db2.gz VDGVXACWUORKFL-UHFFFAOYSA-N 0 0 417.473 3.248 50 0 HGAARN COCn1cc(NC(=O)Cn2nc(C)c3c2nc(C2CC2)cc3C(F)(F)F)cn1 ZINC000036615352 569206981 /nfs/dbraw/zinc/20/69/81/569206981.db2.gz YKLHXTYUBSYHMT-UHFFFAOYSA-N 0 0 408.384 3.075 50 0 HGAARN Cc1nn(C)c(C)c1CNC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccccc1 ZINC000036616610 569207723 /nfs/dbraw/zinc/20/77/23/569207723.db2.gz LOSVLAKIXAPTCW-UHFFFAOYSA-N 0 0 402.502 3.377 50 0 HGAARN CCn1ncc(CNC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c1C ZINC000036616960 569207853 /nfs/dbraw/zinc/20/78/53/569207853.db2.gz LZIIKYOHSLDCCV-UHFFFAOYSA-N 0 0 418.501 3.407 50 0 HGAARN CNC(=O)N1CCC(n2c(C)nc(C(=O)NCc3ccc(Cl)cc3)c2C)CC1 ZINC000065257453 569208631 /nfs/dbraw/zinc/20/86/31/569208631.db2.gz RMAXQCKIEIFJIA-UHFFFAOYSA-N 0 0 403.914 3.060 50 0 HGAARN Cc1nn(C)cc1C[C@@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 ZINC000036614282 569209551 /nfs/dbraw/zinc/20/95/51/569209551.db2.gz REHADNBIPNEXRW-CQSZACIVSA-N 0 0 402.502 3.440 50 0 HGAARN CCCc1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000065258072 569210001 /nfs/dbraw/zinc/21/00/01/569210001.db2.gz MBCOJJSMOHSNDB-UHFFFAOYSA-N 0 0 421.501 3.445 50 0 HGAARN O=C(NCc1cccnc1)[C@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259851 569210793 /nfs/dbraw/zinc/21/07/93/569210793.db2.gz DFQGSUWSYREDPB-QGZVFWFLSA-N 0 0 419.572 3.031 50 0 biogenic HGAARN CCn1cc2c(n1)n(CCC(=O)Nc1ccc(Cl)cn1)c(=O)cc2C(F)(F)F ZINC000036621415 569211985 /nfs/dbraw/zinc/21/19/85/569211985.db2.gz BHERGPIJLAQLTH-UHFFFAOYSA-N 0 0 413.787 3.314 50 0 HGAARN CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCNC(=O)CCCn2cccc2)OC(C)(C)O1 ZINC000524732213 569212547 /nfs/dbraw/zinc/21/25/47/569212547.db2.gz LJLWLEKPWCBNGR-QZTJIDSGSA-N 0 0 408.539 3.417 50 0 biogenic HGAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(OCC(C)C)cc1)CC(=O)N2 ZINC000524732722 569212726 /nfs/dbraw/zinc/21/27/26/569212726.db2.gz WVHRZTDIOBMOBE-MRXNPFEDSA-N 0 0 417.473 3.356 50 0 HGAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000524733338 569212834 /nfs/dbraw/zinc/21/28/34/569212834.db2.gz IUAJZZYNLKGNAM-IRXDYDNUSA-N 0 0 420.494 3.101 50 0 HGAARN O=C(c1c2c(sc1-n1cnnn1)CCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000524734412 569213542 /nfs/dbraw/zinc/21/35/42/569213542.db2.gz CCAXGXADSOWANO-HNNXBMFYSA-N 0 0 405.487 3.066 50 0 HGAARN CCn1ccc(C(=O)N2CC[C@@H](n3c4ncccc4nc3-c3ccc(OC)cc3)C2)n1 ZINC000065271301 569213549 /nfs/dbraw/zinc/21/35/49/569213549.db2.gz NVLNKTPBIHCZTE-QGZVFWFLSA-N 0 0 416.485 3.411 50 0 HGAARN CCn1nccc1C(=O)N1CC[C@@H](n2c3ncccc3nc2-c2ccc(OC)cc2)C1 ZINC000065271299 569213554 /nfs/dbraw/zinc/21/35/54/569213554.db2.gz ZSXNLRNXVOHRDR-QGZVFWFLSA-N 0 0 416.485 3.411 50 0 HGAARN COc1ccc(CCNC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)cc1OC ZINC000524733506 569213767 /nfs/dbraw/zinc/21/37/67/569213767.db2.gz PLCBQVPXYABIQU-KRWDZBQOSA-N 0 0 400.475 3.250 50 0 HGAARN CCN(CC)c1cc(CCC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)ccn1 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569363825 /nfs/dbraw/zinc/36/38/25/569363825.db2.gz AIFNPNIYPOVDAL-ZDUSSCGKSA-N 0 0 410.561 3.122 50 0 HGAARN COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000257347536 569363901 /nfs/dbraw/zinc/36/39/01/569363901.db2.gz KLXPQIAGNBJJFR-FMNDBTGQSA-N 0 0 408.579 3.147 50 0 HGAARN C[C@H]1CCN(c2ncccc2C(=O)Nc2ccc(Br)cc2)CC[S@@]1=O ZINC000253394255 569365126 /nfs/dbraw/zinc/36/51/26/569365126.db2.gz BCYVTFXGVLIVQV-CANCMXDXSA-N 0 0 422.348 3.444 50 0 HGAARN CCOC(=O)c1c(N)n(Cc2cc(OC)cc(OC)c2)c2nc3ccccc3nc21 ZINC000002289338 569365129 /nfs/dbraw/zinc/36/51/29/569365129.db2.gz BHCHJZVHHOOHAT-UHFFFAOYSA-N 0 0 406.442 3.409 50 0 HGAARN O=C(NCc1nnc2ccc(-c3ccsc3)nn21)c1ccc(C(F)(F)F)nc1 ZINC000253400831 569365571 /nfs/dbraw/zinc/36/55/71/569365571.db2.gz MABRBVWQRUOPGI-UHFFFAOYSA-N 0 0 404.377 3.197 50 0 HGAARN COc1ccc([C@H](NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1 ZINC000253399010 569365593 /nfs/dbraw/zinc/36/55/93/569365593.db2.gz CNRAWVAFIMFTQF-PZJWPPBQSA-N 0 0 409.486 3.039 50 0 biogenic HGAARN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccoc2)N2CCSCC2)cc1Cl ZINC000253405948 569365956 /nfs/dbraw/zinc/36/59/56/569365956.db2.gz TZMOFVZKJXRLOO-QGZVFWFLSA-N 0 0 407.923 3.086 50 0 HGAARN Cc1ccc(CNC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)cn1 ZINC000253405022 569366002 /nfs/dbraw/zinc/36/60/02/569366002.db2.gz GQPNIJJVMNUZEA-UHFFFAOYSA-N 0 0 408.527 3.209 50 0 HGAARN CSCC[C@@H](CO)NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000253414542 569366941 /nfs/dbraw/zinc/36/69/41/569366941.db2.gz XTAYLBPQVXRRQS-AWEZNQCLSA-N 0 0 403.500 3.237 50 0 biogenic HGAARN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccccc1 ZINC000253415366 569367128 /nfs/dbraw/zinc/36/71/28/569367128.db2.gz QJYWLSCYHSZGGO-KRWDZBQOSA-N 0 0 407.463 3.042 50 0 HGAARN CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC000253417962 569367458 /nfs/dbraw/zinc/36/74/58/569367458.db2.gz AXYPBZVROXRAIK-IIDMSEBBSA-N 0 0 424.563 3.244 50 0 HGAARN COc1cc(Cl)ccc1C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000253423092 569367965 /nfs/dbraw/zinc/36/79/65/569367965.db2.gz KMESTRPNUYYRLF-INIZCTEOSA-N 0 0 423.941 3.116 50 0 HGAARN Cc1nc2ccc(N(C)C(=O)N3CCN(Cc4noc(C5CC5)n4)CC3)cc2s1 ZINC000253425946 569368205 /nfs/dbraw/zinc/36/82/05/569368205.db2.gz WORJLMXLYGNQKF-UHFFFAOYSA-N 0 0 412.519 3.239 50 0 HGAARN COc1ncnc(N(C)C)c1NC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F ZINC000253425661 569368219 /nfs/dbraw/zinc/36/82/19/569368219.db2.gz VOLSVODCGCLFDJ-UHFFFAOYSA-N 0 0 417.420 3.027 50 0 HGAARN CS(=O)(=O)c1cccc(OCCN2CCCN(c3ccccc3Cl)CC2)c1 ZINC000253429329 569368808 /nfs/dbraw/zinc/36/88/08/569368808.db2.gz MSERCCWEHFNLNY-UHFFFAOYSA-N 0 0 408.951 3.335 50 0 HGAARN O=C1c2sc3nc4c(c(=O)n3c2C(=O)N1c1cccc(Cl)c1Cl)CCC4 ZINC000027546747 569372070 /nfs/dbraw/zinc/37/20/70/569372070.db2.gz XZNHQBYKNAFGNN-UHFFFAOYSA-N 0 0 406.250 3.352 50 0 HGAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000002303708 569372303 /nfs/dbraw/zinc/37/23/03/569372303.db2.gz PCQFRRDDNLOOAU-QGZVFWFLSA-N 0 0 420.513 3.412 50 0 HGAARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccccc3F)C2=O)cc1 ZINC000027572147 569374718 /nfs/dbraw/zinc/37/47/18/569374718.db2.gz XCVOVGLEUGSFHK-CPNJWEJPSA-N 0 0 418.428 3.456 50 0 HGAARN CS(=O)(=O)c1ccc(F)c(NC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)c1 ZINC000055012362 569375650 /nfs/dbraw/zinc/37/56/50/569375650.db2.gz ZUJPURDKUCMZCA-LBPRGKRZSA-N 0 0 402.856 3.076 50 0 HGAARN CCOc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OCC ZINC000002364158 569387405 /nfs/dbraw/zinc/38/74/05/569387405.db2.gz ZZEMQIJLPMMGEW-CPNJWEJPSA-N 0 0 407.495 3.472 50 0 HGAARN Cc1nn2c(CN(C(=O)CN3CCCC3)c3ccccc3)nnc2c2ccccc12 ZINC000002365418 569388011 /nfs/dbraw/zinc/38/80/11/569388011.db2.gz YGFRWBSOESETTH-UHFFFAOYSA-N 0 0 400.486 3.215 50 0 HGAARN COc1ccc(Cc2[nH][nH]c(=O)c2[C@H](CC(N)=O)c2ccc(F)cc2Cl)cc1 ZINC000253414025 569389046 /nfs/dbraw/zinc/38/90/46/569389046.db2.gz WGOGQZWYTSFTMG-OAHLLOKOSA-N 0 0 403.841 3.102 50 0 HGAARN CN(C(=O)COc1ccc2occ(-c3ccsc3)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000253412173 569389064 /nfs/dbraw/zinc/38/90/64/569389064.db2.gz QCCXVUGJIGIDOF-CQSZACIVSA-N 0 0 405.497 3.186 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1 ZINC000002376367 569389447 /nfs/dbraw/zinc/38/94/47/569389447.db2.gz QTUAYIWVNLHMAC-UHFFFAOYSA-N 0 0 416.894 3.002 50 0 HGAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2N)c1 ZINC000002389220 569392605 /nfs/dbraw/zinc/39/26/05/569392605.db2.gz RKOPVUQYJXSXMF-UHFFFAOYSA-N 0 0 418.320 3.461 50 0 HGAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1N ZINC000002397247 569394494 /nfs/dbraw/zinc/39/44/94/569394494.db2.gz OIZZTDCHIIABBL-UHFFFAOYSA-N 0 0 418.320 3.461 50 0 HGAARN CCOC(=O)C(Sc1nc2sc3c(c2c(N)n1)C[C@](C)(CC)OC3)=C(C)O ZINC000002405092 569395842 /nfs/dbraw/zinc/39/58/42/569395842.db2.gz GNJHQNOXQGXBGD-UGSOOPFHSA-N 0 0 409.533 3.128 50 0 HGAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(N(CO)CCO)n1)CCC4 ZINC000002413080 569397112 /nfs/dbraw/zinc/39/71/12/569397112.db2.gz PIKRHUPALGNXHH-UHFFFAOYSA-N 0 0 418.588 3.397 50 0 HGAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 ZINC000002422526 569398150 /nfs/dbraw/zinc/39/81/50/569398150.db2.gz QLIYODTWVMQZQD-AWEZNQCLSA-N 0 0 413.471 3.404 50 0 HGAARN C[C@@H](Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 ZINC000012289155 569400250 /nfs/dbraw/zinc/40/02/50/569400250.db2.gz GGRQMKLDVGDKSJ-MRXNPFEDSA-N 0 0 414.527 3.264 50 0 HGAARN COCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000012419771 569401234 /nfs/dbraw/zinc/40/12/34/569401234.db2.gz CBKYKJVCVHADRB-UHFFFAOYSA-N 0 0 406.435 3.380 50 0 HGAARN Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCCn2ccnc2)cc1 ZINC000012561387 569401863 /nfs/dbraw/zinc/40/18/63/569401863.db2.gz AQPJIRFFOASZIM-JWGURIENSA-N 0 0 402.498 3.477 50 0 HGAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007942655 569402067 /nfs/dbraw/zinc/40/20/67/569402067.db2.gz OQEJKGLRQHFHIR-CQSZACIVSA-N 0 0 404.495 3.482 50 0 HGAARN CCCOc1ccc(CO[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@@H]2[C@@H]2COC(C)(C)O2)cc1 ZINC000012660582 569402612 /nfs/dbraw/zinc/40/26/12/569402612.db2.gz DCXWQAUMSHLOLW-PXTPFGJHSA-N 0 0 408.491 3.389 50 0 biogenic HGAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(C)cc(C)c1 ZINC000012662081 569402715 /nfs/dbraw/zinc/40/27/15/569402715.db2.gz NKTAXMKKOXGCRS-KSFYIVLOSA-N 0 0 424.453 3.119 50 0 biogenic HGAARN CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnnn1-c1ccc(O)cc1 ZINC000007946121 569402862 /nfs/dbraw/zinc/40/28/62/569402862.db2.gz FMUYSODCSNBTSF-UHFFFAOYSA-N 0 0 409.924 3.224 50 0 HGAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)c1 ZINC000012777357 569403387 /nfs/dbraw/zinc/40/33/87/569403387.db2.gz CTBKSPDNEJDLFA-UHFFFAOYSA-N 0 0 420.384 3.269 50 0 HGAARN COc1cc(/C=C/C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1 ZINC000012931647 569405008 /nfs/dbraw/zinc/40/50/08/569405008.db2.gz JKMDHSMSFQPEHU-MULIUROHSA-N 0 0 414.477 3.046 50 0 HGAARN C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccccc1F ZINC000012917375 569405045 /nfs/dbraw/zinc/40/50/45/569405045.db2.gz IXHICODXETYHDD-ODXCJYRJSA-N 0 0 400.431 3.325 50 0 HGAARN O=C1C[S@](=O)[C@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000012957602 569405373 /nfs/dbraw/zinc/40/53/73/569405373.db2.gz VTMXCIQKXXSKDD-IQMFZBJNSA-N 0 0 412.692 3.466 50 0 HGAARN Cc1nn(-c2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nn2)c(C)c1C ZINC000013009175 569407083 /nfs/dbraw/zinc/40/70/83/569407083.db2.gz AASDECWSEWARHR-UHFFFAOYSA-N 0 0 409.469 3.081 50 0 HGAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NC(=O)c1cc(C)cc(C)c1 ZINC000013010270 569407252 /nfs/dbraw/zinc/40/72/52/569407252.db2.gz HUOAYSQHPKVCSM-UHFFFAOYSA-N 0 0 409.417 3.417 50 0 HGAARN CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013038603 569407732 /nfs/dbraw/zinc/40/77/32/569407732.db2.gz DAPWTCWDNJMNHP-UHFFFAOYSA-N 0 0 406.470 3.268 50 0 HGAARN C[C@@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cn3ccccc3n2)C1=O ZINC000013059639 569408300 /nfs/dbraw/zinc/40/83/00/569408300.db2.gz DAIOVZFXSGTTNF-NRFANRHFSA-N 0 0 414.412 3.379 50 0 HGAARN CN(C)c1ncc(Br)cc1C(=O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000328593869 569415482 /nfs/dbraw/zinc/41/54/82/569415482.db2.gz SYGLBTMEVJPKCF-INIZCTEOSA-N 0 0 415.335 3.187 50 0 HGAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc(Br)c1 ZINC000328593513 569415573 /nfs/dbraw/zinc/41/55/73/569415573.db2.gz CTJPJPGMWHHIJQ-UHFFFAOYSA-N 0 0 412.353 3.378 50 0 HGAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CCSc3ccc(F)cc3)CC2)cc1 ZINC000019358584 569420237 /nfs/dbraw/zinc/42/02/37/569420237.db2.gz YFFHJCPUGHXPQN-UHFFFAOYSA-N 0 0 422.547 3.127 50 0 HGAARN Cc1ccc(-n2c(SCCCS(C)(=O)=O)nnc2-c2ccncc2)cc1C ZINC000078747787 569420322 /nfs/dbraw/zinc/42/03/22/569420322.db2.gz XVMRKDXGYYUORH-UHFFFAOYSA-N 0 0 402.545 3.473 50 0 HGAARN CN(CCCNC(=O)c1cc(Cn2ccc(C(F)(F)F)n2)on1)c1ccccc1 ZINC000078878025 569421342 /nfs/dbraw/zinc/42/13/42/569421342.db2.gz HDGMSYMKHXVABX-UHFFFAOYSA-N 0 0 407.396 3.195 50 0 HGAARN Cc1csc([C@](O)(CC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)C(F)(F)F)n1 ZINC000078935539 569421752 /nfs/dbraw/zinc/42/17/52/569421752.db2.gz IIZVPNURTAQDSG-BJOHPYRUSA-N 0 0 406.430 3.149 50 0 HGAARN Cc1csc([C@](O)(CC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C(F)(F)F)n1 ZINC000078935551 569421763 /nfs/dbraw/zinc/42/17/63/569421763.db2.gz IIZVPNURTAQDSG-RFAUZJTJSA-N 0 0 406.430 3.149 50 0 HGAARN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Nc1nnc(C2CC2)s1 ZINC000078954133 569422064 /nfs/dbraw/zinc/42/20/64/569422064.db2.gz AWYALKQWMMIZDG-PWSUYJOCSA-N 0 0 411.528 3.298 50 0 HGAARN C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1=O ZINC000078958534 569422207 /nfs/dbraw/zinc/42/22/07/569422207.db2.gz RDHXDSHHVVTDDH-IAGOWNOFSA-N 0 0 414.527 3.460 50 0 HGAARN CC[C@H](NC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1noc(C)n1 ZINC000078971756 569422630 /nfs/dbraw/zinc/42/26/30/569422630.db2.gz FIQLZMVPIYBVSM-HNNXBMFYSA-N 0 0 414.535 3.483 50 0 HGAARN CCc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(-c2cnn(C)c2)n1 ZINC000078987214 569422834 /nfs/dbraw/zinc/42/28/34/569422834.db2.gz HJXCZQQQNIMIRE-UHFFFAOYSA-N 0 0 419.514 3.356 50 0 HGAARN C[C@H]1C(=O)Nc2cc(C(=O)NCCOc3cccc(Br)c3)ccc2N1C ZINC000079020706 569424337 /nfs/dbraw/zinc/42/43/37/569424337.db2.gz AWUORAPKVZVZNQ-LBPRGKRZSA-N 0 0 418.291 3.035 50 0 HGAARN CCn1c2ccccc2n(CC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c1=O ZINC000079026695 569424869 /nfs/dbraw/zinc/42/48/69/569424869.db2.gz XVIRGQLABYFXRQ-MRXNPFEDSA-N 0 0 403.486 3.194 50 0 HGAARN COC(=O)COc1c(C)cc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1C ZINC000079053270 569425727 /nfs/dbraw/zinc/42/57/27/569425727.db2.gz VJTHYSXNMFUEMI-UHFFFAOYSA-N 0 0 412.486 3.183 50 0 HGAARN O=C(Nc1ccccc1)c1ccc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)nn1 ZINC000079061687 569426322 /nfs/dbraw/zinc/42/63/22/569426322.db2.gz CVTRABSRRXXUFJ-LJQANCHMSA-N 0 0 415.497 3.232 50 0 HGAARN Cc1cccn2cc(COc3ccccc3C(=O)N3CC[S@@](=O)C(C)(C)C3)nc12 ZINC000079071724 569426863 /nfs/dbraw/zinc/42/68/63/569426863.db2.gz WXJBPDJAMSAQAN-LJAQVGFWSA-N 0 0 411.527 3.205 50 0 HGAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1sc(N(C)C)nc1C ZINC000079190392 569429191 /nfs/dbraw/zinc/42/91/91/569429191.db2.gz DZKUOXUUBOVHFI-BBRMVZONSA-N 0 0 400.456 3.080 50 0 biogenic HGAARN COc1c2c(cc3c1C=C(c1cc(=O)n4cc(Cl)ccc4n1)N(C)CC3)OCO2 ZINC000079193695 569429433 /nfs/dbraw/zinc/42/94/33/569429433.db2.gz NZWZPQBKIWBWHN-UHFFFAOYSA-N 0 0 411.845 3.071 50 0 biogenic HGAARN Cc1cccc2c(=O)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)[nH]c12 ZINC000019793689 569429992 /nfs/dbraw/zinc/42/99/92/569429992.db2.gz RQDRMZPAEFRORV-UHFFFAOYSA-N 0 0 405.498 3.191 50 0 HGAARN c1ccc2c(c1)nc(CN1CCOCC1)nc2Nc1ccc(N2CCOCC2)cc1 ZINC000019797497 569430372 /nfs/dbraw/zinc/43/03/72/569430372.db2.gz FFTOFGKOBNHTGX-UHFFFAOYSA-N 0 0 405.502 3.042 50 0 HGAARN COc1ccc(CNC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)cc1OC ZINC000079477018 569431444 /nfs/dbraw/zinc/43/14/44/569431444.db2.gz XMMNKBCCQHNQTL-UHFFFAOYSA-N 0 0 406.442 3.484 50 0 HGAARN COc1cc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)cc(OC)c1OC ZINC000079486378 569432136 /nfs/dbraw/zinc/43/21/36/569432136.db2.gz ZSWOSONXRLSOMT-UHFFFAOYSA-N 0 0 411.458 3.184 50 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3.291 50 0 HGAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1C ZINC000032404480 520362373 /nfs/dbraw/zinc/36/23/73/520362373.db2.gz GMUIZISLESWLHV-UHFFFAOYSA-N 0 0 424.906 3.069 50 0 HGAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(Cl)c1C ZINC000032404478 520363483 /nfs/dbraw/zinc/36/34/83/520363483.db2.gz WNEIQGNKHUYECH-UHFFFAOYSA-N 0 0 424.906 3.069 50 0 HGAARN CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000032895689 520435388 /nfs/dbraw/zinc/43/53/88/520435388.db2.gz MZENNGFANOQIJQ-CALCHBBNSA-N 0 0 406.548 3.414 50 0 HGAARN CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000032895690 520436234 /nfs/dbraw/zinc/43/62/34/520436234.db2.gz MZENNGFANOQIJQ-IRXDYDNUSA-N 0 0 406.548 3.414 50 0 HGAARN CCN(CC)C(=O)CCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000032931698 520463595 /nfs/dbraw/zinc/46/35/95/520463595.db2.gz BMTIGJFLAFSRIH-UHFFFAOYSA-N 0 0 400.498 3.269 50 0 HGAARN CCOc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)c(OCC)cc1C ZINC000041095201 520772322 /nfs/dbraw/zinc/77/23/22/520772322.db2.gz KDQYXBGNCBRINB-UHFFFAOYSA-N 0 0 402.516 3.438 50 0 HGAARN CCOc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)O[C@@H](C)C2 ZINC000032759202 520796959 /nfs/dbraw/zinc/79/69/59/520796959.db2.gz YEWAWOMXNUMUGH-GOEBONIOSA-N 0 0 410.470 3.409 50 0 HGAARN CCOC(=O)N1CCC(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000042932362 520926780 /nfs/dbraw/zinc/92/67/80/520926780.db2.gz NTXCVRXDSJIUHV-LLVKDONJSA-N 0 0 417.289 3.276 50 0 HGAARN CCOC(=O)N1CCC(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)CC1 ZINC000032932964 520934653 /nfs/dbraw/zinc/93/46/53/520934653.db2.gz YPTUEOWONOYCGQ-UHFFFAOYSA-N 0 0 424.548 3.214 50 0 HGAARN CC1CCN(C(=O)CCn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000020562843 520975553 /nfs/dbraw/zinc/97/55/53/520975553.db2.gz KDWFWTQFJLLGSM-UHFFFAOYSA-N 0 0 417.575 3.465 50 0 HGAARN CCOc1ccc(CNC(=O)CCC(=O)N2CCSc3ncccc32)cc1OC ZINC000020565014 520984381 /nfs/dbraw/zinc/98/43/81/520984381.db2.gz UOUIDXHGTQOBRI-UHFFFAOYSA-N 0 0 415.515 3.024 50 0 HGAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000032850860 521086681 /nfs/dbraw/zinc/08/66/81/521086681.db2.gz WKPMYTSVPVSZIM-QGZVFWFLSA-N 0 0 410.301 3.384 50 0 HGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(NC(=O)c3ccccc3C)n2)C1 ZINC000040355371 521111932 /nfs/dbraw/zinc/11/19/32/521111932.db2.gz JWLVLKHGQGMGQT-CQSZACIVSA-N 0 0 401.488 3.119 50 0 HGAARN CCCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019834877 521285628 /nfs/dbraw/zinc/28/56/28/521285628.db2.gz PIIQGXWMQPZGGW-UHFFFAOYSA-N 0 0 416.543 3.264 50 0 HGAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000032909342 521333586 /nfs/dbraw/zinc/33/35/86/521333586.db2.gz UTCRJGRWZBPVTI-HXUWFJFHSA-N 0 0 410.470 3.238 50 0 HGAARN CCOc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)c1 ZINC000000842560 521382495 /nfs/dbraw/zinc/38/24/95/521382495.db2.gz VXYPQEBCSNIMNE-FQEVSTJZSA-N 0 0 413.905 3.193 50 0 HGAARN CCCc1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000032860160 521399563 /nfs/dbraw/zinc/39/95/63/521399563.db2.gz YCURGRJKXFJFEY-QGZVFWFLSA-N 0 0 422.529 3.273 50 0 HGAARN CCCn1c(COC(=O)c2cc(Cl)c[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000032777182 521630916 /nfs/dbraw/zinc/63/09/16/521630916.db2.gz ZYNFJTBTCHIBFR-UHFFFAOYSA-N 0 0 424.910 3.035 50 0 HGAARN CCN1C[C@H](CN(C)Cc2nc(N)nc(Nc3ccccc3C)n2)Oc2ccccc21 ZINC000032797335 521729856 /nfs/dbraw/zinc/72/98/56/521729856.db2.gz CIZRRSKNIIOEKP-KRWDZBQOSA-N 0 0 419.533 3.225 50 0 HGAARN CCNC(=O)CN1CCN(c2cc(-c3ccccc3)c3ccc(OC)cc3n2)CC1 ZINC000032770076 521737516 /nfs/dbraw/zinc/73/75/16/521737516.db2.gz WNNDDGINFCTLME-UHFFFAOYSA-N 0 0 404.514 3.169 50 0 HGAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000032900769 521876236 /nfs/dbraw/zinc/87/62/36/521876236.db2.gz GRILDYMWJHLZTF-AWEZNQCLSA-N 0 0 418.877 3.369 50 0 HGAARN COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccn2)ccc1Cl ZINC000040266230 521883834 /nfs/dbraw/zinc/88/38/34/521883834.db2.gz FRMOZJCQHXDZGG-SFHVURJKSA-N 0 0 411.849 3.424 50 0 HGAARN CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000020568090 521959235 /nfs/dbraw/zinc/95/92/35/521959235.db2.gz CJRJKTSTRUUVBC-UHFFFAOYSA-N 0 0 402.303 3.245 50 0 HGAARN COCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccccc2)no1 ZINC000045939347 522055973 /nfs/dbraw/zinc/05/59/73/522055973.db2.gz GSTNKXFVRDNIPG-UHFFFAOYSA-N 0 0 400.485 3.447 50 0 HGAARN COCCn1ccc2c1cccc2OCC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000263586339 522135990 /nfs/dbraw/zinc/13/59/90/522135990.db2.gz STTSVSMCFUWPFP-UHFFFAOYSA-N 0 0 424.497 3.269 50 0 biogenic HGAARN COc1cc(CCNC(=O)C2CCN(C(=O)c3ccco3)CC2)ccc1OC(F)F ZINC000032744805 522330619 /nfs/dbraw/zinc/33/06/19/522330619.db2.gz ACRSZEBURNAHRJ-UHFFFAOYSA-N 0 0 422.428 3.101 50 0 HGAARN COc1cc(CNC(=O)CNC(=O)c2ccccc2F)ccc1OCCC(C)C ZINC000032930831 522414219 /nfs/dbraw/zinc/41/42/19/522414219.db2.gz NDICCLIOMIDRNK-UHFFFAOYSA-N 0 0 402.466 3.305 50 0 HGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O ZINC000044840389 522450451 /nfs/dbraw/zinc/45/04/51/522450451.db2.gz QPYCTXHMPBZKRZ-QZTJIDSGSA-N 0 0 407.514 3.272 50 0 HGAARN COc1cc(N2C[C@@H](C(=O)Nc3ccc(F)cc3C)CC2=O)cc(OC)c1OC ZINC000032796048 522634816 /nfs/dbraw/zinc/63/48/16/522634816.db2.gz SMNDSYJHAWRSAL-ZDUSSCGKSA-N 0 0 402.422 3.152 50 0 HGAARN CC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000028323904 522681944 /nfs/dbraw/zinc/68/19/44/522681944.db2.gz VQUJIWMVXAMCFA-BTCBHJBXSA-N 0 0 411.589 3.363 50 0 HGAARN CCc1nn2c(nnc3c2ccn(NC(=O)c2ccccc2C)c3=O)c1-c1ccccc1 ZINC000040390817 522717009 /nfs/dbraw/zinc/71/70/09/522717009.db2.gz DCJXNHPDZHRYFT-UHFFFAOYSA-N 0 0 424.464 3.361 50 0 HGAARN COc1cc(OC)c(NC(=O)c2nc3cc(C)c(C)cc3n(C)c2=O)cc1Cl ZINC000032958011 522812897 /nfs/dbraw/zinc/81/28/97/522812897.db2.gz XNYQGAGRCMLBEX-UHFFFAOYSA-N 0 0 401.850 3.473 50 0 HGAARN CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 ZINC000032755245 522912472 /nfs/dbraw/zinc/91/24/72/522912472.db2.gz HPQPUHRMXYENSG-NSHDSACASA-N 0 0 419.334 3.006 50 0 HGAARN COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)ccc1OCC(N)=O ZINC000040285934 522960263 /nfs/dbraw/zinc/96/02/63/522960263.db2.gz PORCUSDXXSNAFF-OAHLLOKOSA-N 0 0 410.405 3.008 50 0 HGAARN COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C2 ZINC000032095457 523022221 /nfs/dbraw/zinc/02/22/21/523022221.db2.gz TUOFNAVCCOZAIT-INIZCTEOSA-N 0 0 402.863 3.233 50 0 HGAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4[nH]c(C)cc4c3)cc(C3CC3)nc21 ZINC000032432677 523091152 /nfs/dbraw/zinc/09/11/52/523091152.db2.gz IFYMUYTUUKIZTQ-UHFFFAOYSA-N 0 0 403.442 3.024 50 0 HGAARN COCCCCC(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000072297599 523100672 /nfs/dbraw/zinc/10/06/72/523100672.db2.gz OJWPERFXMFBQHR-HXUWFJFHSA-N 0 0 418.559 3.256 50 0 HGAARN COc1ccc(-c2nc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n[nH]2)cc1 ZINC000007188773 523178088 /nfs/dbraw/zinc/17/80/88/523178088.db2.gz LKSRWWDCXNLYGM-GOSISDBHSA-N 0 0 410.499 3.173 50 0 HGAARN COCc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000032950096 523217832 /nfs/dbraw/zinc/21/78/32/523217832.db2.gz KGSVIFVDVNTRFW-UHFFFAOYSA-N 0 0 409.446 3.175 50 0 HGAARN COC(=O)COc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc1OC ZINC000072403752 523227588 /nfs/dbraw/zinc/22/75/88/523227588.db2.gz OYLZUJUQQZGUMP-HNNXBMFYSA-N 0 0 411.414 3.208 50 0 HGAARN COCc1nn2c(ncc3c2ccn(Cc2cccnc2)c3=O)c1-c1ccc(F)cc1 ZINC000040397208 523247032 /nfs/dbraw/zinc/24/70/32/523247032.db2.gz RQGGANOECPEXEL-UHFFFAOYSA-N 0 0 415.428 3.440 50 0 HGAARN COc1ccc(-c2nnc(NC(=O)NCc3ccc(OC)c(OC)c3)o2)c(OC)c1 ZINC000042381187 523254332 /nfs/dbraw/zinc/25/43/32/523254332.db2.gz SRAXIOFOZSTLPO-UHFFFAOYSA-N 0 0 414.418 3.093 50 0 HGAARN COc1ccc(-c2noc(COC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1OC ZINC000032866026 523292234 /nfs/dbraw/zinc/29/22/34/523292234.db2.gz VGXSETRJTMXQOV-UHFFFAOYSA-N 0 0 423.429 3.436 50 0 HGAARN COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccs1 ZINC000032453846 523334299 /nfs/dbraw/zinc/33/42/99/523334299.db2.gz BLLFOINCQGGTLO-AEFFLSMTSA-N 0 0 412.511 3.010 50 0 HGAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000032747617 523395207 /nfs/dbraw/zinc/39/52/07/523395207.db2.gz RQFAZZRXRNTEIY-DJTWPOEFSA-N 0 0 404.369 3.173 50 0 HGAARN COc1ccc(C(=O)COC(=O)CCc2nc(-c3ccccn3)no2)cc1Cl ZINC000032912296 523586790 /nfs/dbraw/zinc/58/67/90/523586790.db2.gz XLGNQXCTZFRPTN-UHFFFAOYSA-N 0 0 401.806 3.152 50 0 HGAARN COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(OC)c1 ZINC000032797063 523644739 /nfs/dbraw/zinc/64/47/39/523644739.db2.gz VSGHOGIOZOVUAJ-UHFFFAOYSA-N 0 0 422.403 3.321 50 0 HGAARN COc1ccc(C(=O)N2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)cc1 ZINC000043478559 523645189 /nfs/dbraw/zinc/64/51/89/523645189.db2.gz CILNRWUKNWGHAS-UHFFFAOYSA-N 0 0 401.894 3.059 50 0 HGAARN CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccncc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000040286519 523737267 /nfs/dbraw/zinc/73/72/67/523737267.db2.gz UJBPBQOXHCVHLL-FGZHOGPDSA-N 0 0 415.449 3.037 50 0 HGAARN COc1ccc(C(=O)Nc2cc3c(ncnc3N3CCCCCC3)[nH]c2=O)cc1OC ZINC000390834859 523745810 /nfs/dbraw/zinc/74/58/10/523745810.db2.gz JAPRJWCCGKYQPK-UHFFFAOYSA-N 0 0 423.473 3.380 50 0 HGAARN COc1ccc(C)cc1CN1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 ZINC000032740520 523810516 /nfs/dbraw/zinc/81/05/16/523810516.db2.gz JLCXFIAQPLAXED-UHFFFAOYSA-N 0 0 412.555 3.438 50 0 HGAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1 ZINC000009882615 523870914 /nfs/dbraw/zinc/87/09/14/523870914.db2.gz PNRCDSGJCPPQNV-UHFFFAOYSA-N 0 0 421.453 3.304 50 0 HGAARN COc1ccc(C2=N/C(=C/c3cc(Cl)c4c(c3)OCCO4)C(=O)O2)cc1OC ZINC000032714714 523873047 /nfs/dbraw/zinc/87/30/47/523873047.db2.gz FOIYVRVHRRVKMO-RIYZIHGNSA-N 0 0 401.802 3.473 50 0 HGAARN COc1ccc(CC(=O)N2CCC[C@](C)(C(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000065058277 523893335 /nfs/dbraw/zinc/89/33/35/523893335.db2.gz FHTSXCMMACMLAT-DEOSSOPVSA-N 0 0 410.514 3.191 50 0 HGAARN COc1ccc(CC(=O)OCc2cc(=O)n3c4ccccc4sc3n2)cc1OC ZINC000032838874 523913071 /nfs/dbraw/zinc/91/30/71/523913071.db2.gz HBGDYLXIMJCSSZ-UHFFFAOYSA-N 0 0 410.451 3.212 50 0 HGAARN CN1CCN(c2c3ccccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020381873 523921287 /nfs/dbraw/zinc/92/12/87/523921287.db2.gz QBJYRAKLSRNKNZ-UHFFFAOYSA-N 0 0 401.919 3.473 50 0 HGAARN CCc1ccc(CNC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1 ZINC000033312768 523933425 /nfs/dbraw/zinc/93/34/25/523933425.db2.gz KLCNPWCAJISBCJ-DEOSSOPVSA-N 0 0 405.542 3.087 50 0 HGAARN COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000040009569 523939542 /nfs/dbraw/zinc/93/95/42/523939542.db2.gz NZKGHZVQXSSHFU-QGZVFWFLSA-N 0 0 406.523 3.352 50 0 HGAARN COc1ccc(CN(C)C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000032750587 523995765 /nfs/dbraw/zinc/99/57/65/523995765.db2.gz YVEACDQREKIMTJ-UHFFFAOYSA-N 0 0 422.572 3.132 50 0 HGAARN COc1ccc(CN2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cc1OC ZINC000032722600 524030960 /nfs/dbraw/zinc/03/09/60/524030960.db2.gz LWXSYSAGRHNSSY-UHFFFAOYSA-N 0 0 410.301 3.364 50 0 HGAARN COc1ccc(CNC(=O)c2ccc3c(c2)ncn(-c2ccc(OC)cc2)c3=O)cc1 ZINC000032075050 524066953 /nfs/dbraw/zinc/06/69/53/524066953.db2.gz DTDYQDKYTPCVDG-UHFFFAOYSA-N 0 0 415.449 3.333 50 0 HGAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(CCN1CCOCC1)C3=O ZINC000020308571 524099387 /nfs/dbraw/zinc/09/93/87/524099387.db2.gz HHLITUMVQMTION-OAQYLSRUSA-N 0 0 422.456 3.118 50 0 HGAARN COc1ccc(CNc2nc(C(=O)N3CCN(c4ccccn4)CC3)cs2)cc1 ZINC000040286746 524104863 /nfs/dbraw/zinc/10/48/63/524104863.db2.gz XXSAMKMGMICTNS-UHFFFAOYSA-N 0 0 409.515 3.121 50 0 HGAARN Cc1cccc(-c2nn3c(nc(CNC(=O)COc4ccccc4C)cc3=O)s2)c1 ZINC000041078162 524121466 /nfs/dbraw/zinc/12/14/66/524121466.db2.gz NNUJUUBVUSTBAC-UHFFFAOYSA-N 0 0 420.494 3.130 50 0 HGAARN COc1cccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCOCC2)c1 ZINC000042381961 524161028 /nfs/dbraw/zinc/16/10/28/524161028.db2.gz WRJWTFFMDAUDSG-NRFANRHFSA-N 0 0 407.470 3.154 50 0 HGAARN COc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c2nccn2C)c1 ZINC000032802454 524163222 /nfs/dbraw/zinc/16/32/22/524163222.db2.gz MPVWYRUQWSFXAW-XOBRGWDASA-N 0 0 408.458 3.307 50 0 HGAARN 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O=C(CNC(=O)c1ccccc1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000012409487 558400072 /nfs/dbraw/zinc/40/00/72/558400072.db2.gz KGGFNOLMWLPWDI-UHFFFAOYSA-N 0 0 417.868 3.086 50 0 HGAARN COc1ccc(CCNC(=O)CS[C@@H]2CCc3ccccc3NC2=O)cc1OC ZINC000012409704 558400096 /nfs/dbraw/zinc/40/00/96/558400096.db2.gz MRMBQILBGLFCLX-HXUWFJFHSA-N 0 0 414.527 3.049 50 0 HGAARN COc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(Br)c(OC)c1OC ZINC000012418089 558402743 /nfs/dbraw/zinc/40/27/43/558402743.db2.gz BTLGECQNWBWUCT-UHFFFAOYSA-N 0 0 424.247 3.134 50 0 biogenic,in-vitro HGAARN CCCCN1C(=O)[C@](NC(=O)C2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000012419948 558403161 /nfs/dbraw/zinc/40/31/61/558403161.db2.gz LSUPQMRGFYUDQP-SFHVURJKSA-N 0 0 404.429 3.073 50 0 HGAARN CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(C2CCCCC2)C(C)=C1C(=O)OC ZINC000012419569 558403211 /nfs/dbraw/zinc/40/32/11/558403211.db2.gz HWOMLEZUIJAFMY-SFHVURJKSA-N 0 0 404.429 3.216 50 0 HGAARN COc1ccc(-c2c3c(cn2-c2cnc4ccccc4c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000012428148 558403717 /nfs/dbraw/zinc/40/37/17/558403717.db2.gz YIOFGWXKBIFHIO-UHFFFAOYSA-N 0 0 412.449 3.252 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)c1 ZINC000020728333 558405435 /nfs/dbraw/zinc/40/54/35/558405435.db2.gz LYDCUPQOQWBOLB-UHFFFAOYSA-N 0 0 421.505 3.061 50 0 HGAARN C[C@H](C(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1)N1CCCC1=O ZINC000012430905 558405501 /nfs/dbraw/zinc/40/55/01/558405501.db2.gz VUYZYKBBVOCZMG-CQSZACIVSA-N 0 0 423.916 3.447 50 0 HGAARN O=C(NC[C@H](c1ccccc1)N1CCOCC1)C1=C(c2ccccc2)SCCO1 ZINC000020732664 558407011 /nfs/dbraw/zinc/40/70/11/558407011.db2.gz PMRDQFVNPARQOI-HXUWFJFHSA-N 0 0 410.539 3.308 50 0 HGAARN COc1c(F)cc2c(=O)c(C(=O)N3CCc4ccccc4C3)cn(CCF)c2c1F ZINC000020745263 558409942 /nfs/dbraw/zinc/40/99/42/558409942.db2.gz XHSTUNWSCHFMDM-UHFFFAOYSA-N 0 0 416.399 3.456 50 0 HGAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)C12CCCCC2 ZINC000020746113 558411216 /nfs/dbraw/zinc/41/12/16/558411216.db2.gz NXBYREORGCMEPP-NRFANRHFSA-N 0 0 407.514 3.287 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000020763537 558411418 /nfs/dbraw/zinc/41/14/18/558411418.db2.gz LLMWCWJPICJZIE-UHFFFAOYSA-N 0 0 404.470 3.430 50 0 biogenic HGAARN Cc1cc(C)cc(-n2c(-c3cccs3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000012445762 558413742 /nfs/dbraw/zinc/41/37/42/558413742.db2.gz IVOIFGWCQJOGJJ-UHFFFAOYSA-N 0 0 405.483 3.021 50 0 HGAARN COCCS(=O)(=O)c1ncc(CN(C)C2CCCCC2)n1Cc1ccccc1 ZINC000012445640 558413784 /nfs/dbraw/zinc/41/37/84/558413784.db2.gz ZVCBSVUBBVHZCX-UHFFFAOYSA-N 0 0 405.564 3.116 50 0 HGAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(N1CCc2ccccc2C1)C(F)(F)F ZINC000020792352 558414144 /nfs/dbraw/zinc/41/41/44/558414144.db2.gz XCBZKRPMTVWSPY-HXUWFJFHSA-N 0 0 406.404 3.296 50 0 HGAARN COCc1ccc(C(=O)N2CCC(CCC(=O)NCc3cccnc3)CC2)s1 ZINC000012448725 558415635 /nfs/dbraw/zinc/41/56/35/558415635.db2.gz VHKNAQFGBAQHSH-UHFFFAOYSA-N 0 0 401.532 3.238 50 0 HGAARN CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000020824036 558416863 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C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(CS(N)(=O)=O)cc4)cc3c2C1 ZINC000010705823 558422399 /nfs/dbraw/zinc/42/23/99/558422399.db2.gz PVRYLOZWYZOTIF-CQSZACIVSA-N 0 0 411.527 3.011 50 0 HGAARN Cc1cc(C)c(S(=O)(=O)N(CC(N)=O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000020923488 558423624 /nfs/dbraw/zinc/42/36/24/558423624.db2.gz FAVJSTWTMAVCNK-UHFFFAOYSA-N 0 0 400.422 3.311 50 0 HGAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)OCc1nnsc1Cl ZINC000020986744 558425821 /nfs/dbraw/zinc/42/58/21/558425821.db2.gz BBEXULNPXSZGAZ-UHFFFAOYSA-N 0 0 424.916 3.435 50 0 HGAARN COc1ccc(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)cc1OC ZINC000004346961 558427791 /nfs/dbraw/zinc/42/77/91/558427791.db2.gz SZMRNIZBWCMISK-UHFFFAOYSA-N 0 0 419.528 3.052 50 0 HGAARN Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)c1 ZINC000004348217 558428074 /nfs/dbraw/zinc/42/80/74/558428074.db2.gz BDDHDLPJHVWQAF-LJQANCHMSA-N 0 0 402.516 3.355 50 0 HGAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)ncn3n2)cc1 ZINC000021027633 558429789 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CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc3sccc3c(=O)n2C)c1C ZINC000021438454 558438211 /nfs/dbraw/zinc/43/82/11/558438211.db2.gz FODMSMDMQSWLQA-UHFFFAOYSA-N 0 0 405.501 3.092 50 0 HGAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000021469300 558439029 /nfs/dbraw/zinc/43/90/29/558439029.db2.gz KXTVGCOWYSKZPZ-LJQANCHMSA-N 0 0 417.556 3.117 50 0 HGAARN Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)cc1C ZINC000021624506 558443518 /nfs/dbraw/zinc/44/35/18/558443518.db2.gz FHKGSADFPZVNAP-CABCVRRESA-N 0 0 408.545 3.336 50 0 HGAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000004359021 558447500 /nfs/dbraw/zinc/44/75/00/558447500.db2.gz ZYKMJXICYGUXKJ-UHFFFAOYSA-N 0 0 417.465 3.266 50 0 HGAARN CCOc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)ccc1O ZINC000021782746 558448189 /nfs/dbraw/zinc/44/81/89/558448189.db2.gz HAKMRKVNXCDSOX-JOCHJYFZSA-N 0 0 423.469 3.123 50 0 HGAARN CCOc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)c1 ZINC000021782755 558448209 /nfs/dbraw/zinc/44/82/09/558448209.db2.gz JELGBJQFNWPHEH-QFIPXVFZSA-N 0 0 407.470 3.417 50 0 HGAARN CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000012703304 558448507 /nfs/dbraw/zinc/44/85/07/558448507.db2.gz MFQJJGYLIHODHL-QGZVFWFLSA-N 0 0 416.403 3.421 50 0 HGAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012704684 558449394 /nfs/dbraw/zinc/44/93/94/558449394.db2.gz LAHHBSDMRYIDMY-KRWDZBQOSA-N 0 0 406.504 3.362 50 0 HGAARN COc1cccc(CC2(CO)CCN(C(=O)c3ccccc3-n3cccn3)CC2)c1 ZINC000012715380 558454926 /nfs/dbraw/zinc/45/49/26/558454926.db2.gz WZMIQTWCXVIBFQ-UHFFFAOYSA-N 0 0 405.498 3.338 50 0 HGAARN CN1C(=O)c2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2C1=O ZINC000021955687 558456482 /nfs/dbraw/zinc/45/64/82/558456482.db2.gz AEYVYDNMWRPVFQ-UHFFFAOYSA-N 0 0 410.480 3.309 50 0 HGAARN COc1cccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC000012748397 558458710 /nfs/dbraw/zinc/45/87/10/558458710.db2.gz WFBGYNFJGUFELI-GOSISDBHSA-N 0 0 421.419 3.433 50 0 HGAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012748530 558458738 /nfs/dbraw/zinc/45/87/38/558458738.db2.gz MWVWESPNRQUDKZ-IBGZPJMESA-N 0 0 409.548 3.121 50 0 HGAARN CCc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000022024643 558458758 /nfs/dbraw/zinc/45/87/58/558458758.db2.gz PSEWXHWQHPZULZ-UHFFFAOYSA-N 0 0 407.492 3.305 50 0 HGAARN CC(C)CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012755068 558459900 /nfs/dbraw/zinc/45/99/00/558459900.db2.gz MUYIHJHDVDZVBS-OKZBNKHCSA-N 0 0 410.580 3.429 50 0 HGAARN O=S(=O)(c1ccc(OCc2cc(-c3cccs3)on2)cc1)N1CCOCC1 ZINC000022068984 558461414 /nfs/dbraw/zinc/46/14/14/558461414.db2.gz RGIMTSICKFLZOG-UHFFFAOYSA-N 0 0 406.485 3.003 50 0 HGAARN CCOc1ccc(CCC2CCN(C(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 ZINC000022131068 558463972 /nfs/dbraw/zinc/46/39/72/558463972.db2.gz OTLZTLZZIRUJFP-VXKWHMMOSA-N 0 0 424.541 3.208 50 0 HGAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NCCCN3CCOCC3)cc12 ZINC000012788252 558464008 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HGAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000014245015 558646091 /nfs/dbraw/zinc/64/60/91/558646091.db2.gz RWPFVYZXNJFYKC-GOSISDBHSA-N 0 0 406.891 3.067 50 0 HGAARN C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)c1c[nH]c2ccccc21 ZINC000014244887 558646117 /nfs/dbraw/zinc/64/61/17/558646117.db2.gz LYIAKDTVLPTMET-MRXNPFEDSA-N 0 0 412.486 3.092 50 0 HGAARN CCOC(=O)N1CCN(Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)CC1 ZINC000025686521 558647876 /nfs/dbraw/zinc/64/78/76/558647876.db2.gz SGKGPVYCFBCQDP-UHFFFAOYSA-N 0 0 416.547 3.215 50 0 HGAARN CC1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1c1ccc3c(c1)OCCCO3)C2=O ZINC000014248623 558649096 /nfs/dbraw/zinc/64/90/96/558649096.db2.gz XWSGCLRPUYWEKG-BISSLNBESA-N 0 0 413.518 3.443 50 0 HGAARN CC1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1c1ccc3c(c1)OCCCO3)C2=O ZINC000014248625 558649128 /nfs/dbraw/zinc/64/91/28/558649128.db2.gz XWSGCLRPUYWEKG-HRZDDSQGSA-N 0 0 413.518 3.443 50 0 HGAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc2ccccc2c(=O)[nH]1 ZINC000025829008 558651029 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CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c(OC)c2)N3)C1 ZINC000004525536 558653174 /nfs/dbraw/zinc/65/31/74/558653174.db2.gz SBHPKIJIXKGGTM-MRXNPFEDSA-N 0 0 403.460 3.406 50 0 HGAARN CCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)COc1ccccc1 ZINC000004528160 558653811 /nfs/dbraw/zinc/65/38/11/558653811.db2.gz DXSYMOPGKZBVTK-NRFANRHFSA-N 0 0 414.502 3.105 50 0 HGAARN Cc1[nH]c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)c1C(=O)OC(C)C ZINC000026060034 558654502 /nfs/dbraw/zinc/65/45/02/558654502.db2.gz YHUPXQJJKIIXOM-UHFFFAOYSA-N 0 0 411.502 3.231 50 0 HGAARN Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1C ZINC000026231827 558657475 /nfs/dbraw/zinc/65/74/75/558657475.db2.gz URBFCHKKQSITED-OAQYLSRUSA-N 0 0 402.560 3.100 50 0 HGAARN COc1ccccc1-c1cc(COC(=O)c2cc(S(C)(=O)=O)ccc2C)on1 ZINC000026238259 558657658 /nfs/dbraw/zinc/65/76/58/558657658.db2.gz XCHBBSIQEUUGJZ-UHFFFAOYSA-N 0 0 401.440 3.419 50 0 HGAARN O=C(CN1CCN(Cc2ccccc2)CC1)NCCCCOc1ccc(Cl)cc1 ZINC000026249268 558657866 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CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cccs1)CC2 ZINC000014732767 558665938 /nfs/dbraw/zinc/66/59/38/558665938.db2.gz XSRSLSALLHGGMQ-UHFFFAOYSA-N 0 0 401.410 3.272 50 0 HGAARN COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc(C3CCCCC3)n2N)c1 ZINC000027117800 558669772 /nfs/dbraw/zinc/66/97/72/558669772.db2.gz NGBKEWNNPQKDNA-CYBMUJFWSA-N 0 0 419.551 3.026 50 0 HGAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000027131944 558669868 /nfs/dbraw/zinc/66/98/68/558669868.db2.gz ARJMJGDRVZBENI-INIZCTEOSA-N 0 0 416.485 3.046 50 0 HGAARN COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 ZINC000027153752 558670283 /nfs/dbraw/zinc/67/02/83/558670283.db2.gz PVNUGXYVGHYUEA-YKSBVNFPSA-N 0 0 421.497 3.134 50 0 HGAARN CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2C1 ZINC000027262647 558671283 /nfs/dbraw/zinc/67/12/83/558671283.db2.gz AQXRZIBVKPBHKY-HNNXBMFYSA-N 0 0 412.559 3.483 50 0 HGAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCc3sccc3C2)ccc1C ZINC000014779075 558672519 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HGAARN CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3c(C)nn(C)c3C)C2)ncn1 ZINC000065245111 558675348 /nfs/dbraw/zinc/67/53/48/558675348.db2.gz YDCKLNKXWJJZIK-YJBOKZPZSA-N 0 0 413.570 3.133 50 0 HGAARN Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)N4CCC(O)CC4)cc3)c2)c(C)c1 ZINC000014881385 558676096 /nfs/dbraw/zinc/67/60/96/558676096.db2.gz UHYAJDGVXPAWFC-UHFFFAOYSA-N 0 0 418.497 3.338 50 0 HGAARN C[NH+](C)[C@@H](CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1cccc(F)c1 ZINC000027593394 558676804 /nfs/dbraw/zinc/67/68/04/558676804.db2.gz SQPXZUQFEFOTEZ-SFHVURJKSA-N 0 0 414.506 3.007 50 0 HGAARN CCNc1nnc(SCc2nnc(C(=O)NCc3ccc(C)cc3)s2)s1 ZINC000027595194 558677154 /nfs/dbraw/zinc/67/71/54/558677154.db2.gz JFTAJWHOOKUBTF-UHFFFAOYSA-N 0 0 406.562 3.352 50 0 HGAARN COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)C(=O)c3ccccc3)C2)c1 ZINC000014885535 558677446 /nfs/dbraw/zinc/67/74/46/558677446.db2.gz QHHJLKGKNAPJNQ-TZIWHRDSSA-N 0 0 406.482 3.031 50 0 HGAARN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1 ZINC000014948460 558680310 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COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)n[nH]2)cc1 ZINC000098212518 559127773 /nfs/dbraw/zinc/12/77/73/559127773.db2.gz NKNAQMDFBQIDPG-UHFFFAOYSA-N 0 0 422.485 3.065 50 0 HGAARN COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(NC(C)=O)cc4)CC3)n[nH]2)cc1 ZINC000098212541 559127782 /nfs/dbraw/zinc/12/77/82/559127782.db2.gz RGKBUJCRPUDHRX-UHFFFAOYSA-N 0 0 419.485 3.006 50 0 HGAARN COC(=O)C(=CNc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000100025898 559128729 /nfs/dbraw/zinc/12/87/29/559128729.db2.gz LJIDHQVCCTWPQF-MOSHPQCFSA-N 0 0 417.483 3.481 50 0 HGAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(N)ccc1OC(F)F ZINC000100150744 559130916 /nfs/dbraw/zinc/13/09/16/559130916.db2.gz ZWXQVRLBLQPGTB-UHFFFAOYSA-N 0 0 410.417 3.231 50 0 HGAARN CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000101916745 559148389 /nfs/dbraw/zinc/14/83/89/559148389.db2.gz VCEHUQRNYQNTRG-YESZJQIVSA-N 0 0 401.260 3.316 50 0 HGAARN Cc1cc(=O)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC000014092893 559150494 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402.516 3.482 50 0 HGAARN COCCn1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c2ccccc2c1=O ZINC000072324461 559170216 /nfs/dbraw/zinc/17/02/16/559170216.db2.gz NHCYZOBWXYQIRY-UHFFFAOYSA-N 0 0 401.466 3.328 50 0 biogenic HGAARN Cc1cc(-c2nnc(C)o2)nn1-c1cccc(C(=O)NCCOc2ccccc2)c1 ZINC000023433016 559174417 /nfs/dbraw/zinc/17/44/17/559174417.db2.gz FMYZIICHBASZHD-UHFFFAOYSA-N 0 0 403.442 3.348 50 0 HGAARN Cc1ccccc1C(=O)N1CCN(c2nc3nccc(-c4cccs4)n3n2)CC1 ZINC000023450295 559174702 /nfs/dbraw/zinc/17/47/02/559174702.db2.gz BLSJAMBGYOBQPE-UHFFFAOYSA-N 0 0 404.499 3.124 50 0 HGAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220919562 559178777 /nfs/dbraw/zinc/17/87/77/559178777.db2.gz QGDXIPXOHJNHPM-KGLIPLIRSA-N 0 0 420.535 3.492 50 0 HGAARN COc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)no3)c2N)cc1 ZINC000011691838 559185346 /nfs/dbraw/zinc/18/53/46/559185346.db2.gz MRSOFRFPHMGCAZ-UHFFFAOYSA-N 0 0 413.235 3.338 50 0 HGAARN C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 ZINC000024013986 559187559 /nfs/dbraw/zinc/18/75/59/559187559.db2.gz DSQMJYHJFBERQC-MRXNPFEDSA-N 0 0 411.575 3.488 50 0 HGAARN COc1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)ccc1O ZINC000011694870 559188433 /nfs/dbraw/zinc/18/84/33/559188433.db2.gz AXBUNIMTJDZABI-CNOZUTPLSA-N 0 0 413.865 3.304 50 0 HGAARN CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 ZINC000004851537 559191131 /nfs/dbraw/zinc/19/11/31/559191131.db2.gz KRXBSERTCBZTRK-UHFFFAOYSA-N 0 0 401.464 3.467 50 0 HGAARN Cc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004854115 559192230 /nfs/dbraw/zinc/19/22/30/559192230.db2.gz KMZCSSZJEXGSBV-QFIPXVFZSA-N 0 0 410.495 3.362 50 0 HGAARN COc1cc(NC(=O)[C@H]2CCCN2C(=O)C2CCC(C)CC2)cc(OC)c1OC ZINC000004872755 559194669 /nfs/dbraw/zinc/19/46/69/559194669.db2.gz DVIIFMCOXTZHTI-VMBOVVBDSA-N 0 0 404.507 3.468 50 0 HGAARN C[C@@H](Sc1nnc(-c2cccc(F)c2)n1N)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000004876707 559195570 /nfs/dbraw/zinc/19/55/70/559195570.db2.gz RJOMWWGCTFDWFH-LSDHHAIUSA-N 0 0 413.522 3.416 50 0 HGAARN Cc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000004880210 559196285 /nfs/dbraw/zinc/19/62/85/559196285.db2.gz PHUNYNUUXSASKS-IBGZPJMESA-N 0 0 400.525 3.393 50 0 HGAARN Cc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)cc2)c1=O ZINC000004882374 559197284 /nfs/dbraw/zinc/19/72/84/559197284.db2.gz ZDUYFZUSSIYVPI-UHFFFAOYSA-N 0 0 409.442 3.300 50 0 HGAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000004904405 559200308 /nfs/dbraw/zinc/20/03/08/559200308.db2.gz RGBXDJGFGNANAU-HNNXBMFYSA-N 0 0 412.964 3.161 50 0 HGAARN CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 ZINC000004907713 559201021 /nfs/dbraw/zinc/20/10/21/559201021.db2.gz GFSBGQNWXHQHAO-YADHBBJMSA-N 0 0 408.498 3.457 50 0 HGAARN CCOc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004905554 559201705 /nfs/dbraw/zinc/20/17/05/559201705.db2.gz AHLBPCBRXFZKIN-UHFFFAOYSA-N 0 0 410.923 3.459 50 0 HGAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)c1 ZINC000004906554 559201881 /nfs/dbraw/zinc/20/18/81/559201881.db2.gz WGBBMFTVJSJMJQ-UHFFFAOYSA-N 0 0 403.438 3.060 50 0 HGAARN COc1ccccc1NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000004907080 559201978 /nfs/dbraw/zinc/20/19/78/559201978.db2.gz MXVOIAOSLMEEEU-UHFFFAOYSA-N 0 0 400.438 3.030 50 0 HGAARN CC(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000004907000 559201983 /nfs/dbraw/zinc/20/19/83/559201983.db2.gz IYQCUQWOUABNIN-LJQANCHMSA-N 0 0 421.497 3.104 50 0 HGAARN CCOC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1ccccc1Cl ZINC000004911423 559202727 /nfs/dbraw/zinc/20/27/27/559202727.db2.gz NCRUXIPGMAIZLT-HNNXBMFYSA-N 0 0 406.895 3.037 50 0 HGAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C ZINC000004920292 559204963 /nfs/dbraw/zinc/20/49/63/559204963.db2.gz MHDNEAUZWYLIEQ-AWEZNQCLSA-N 0 0 404.470 3.414 50 0 HGAARN O=C(COC(=O)C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000061058153 559206757 /nfs/dbraw/zinc/20/67/57/559206757.db2.gz ISDAXDKEWGURFZ-ZDUSSCGKSA-N 0 0 403.784 3.460 50 0 HGAARN COC(=O)c1nc2n(n1)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000004934985 559210105 /nfs/dbraw/zinc/21/01/05/559210105.db2.gz UCAOWJOCRNKYBH-GOSISDBHSA-N 0 0 419.441 3.001 50 0 HGAARN CC[C@@H](C)[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000004935029 559210109 /nfs/dbraw/zinc/21/01/09/559210109.db2.gz FCZVGHRXHFVRGE-ZHRRBRCNSA-N 0 0 410.514 3.433 50 0 biogenic HGAARN COC(=O)[C@H](NC(=O)CCc1c(C)nc2cc(-c3ccccc3)nn2c1C)C(C)C ZINC000004935360 559210313 /nfs/dbraw/zinc/21/03/13/559210313.db2.gz RAJBNRUVIJWHSK-JOCHJYFZSA-N 0 0 408.502 3.260 50 0 HGAARN CCOC(=O)c1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)sc2c1CCC2 ZINC000004941231 559213728 /nfs/dbraw/zinc/21/37/28/559213728.db2.gz ZEDMYDWUQAGEAJ-UHFFFAOYSA-N 0 0 408.501 3.037 50 0 HGAARN CCC(CC)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000004947311 559214069 /nfs/dbraw/zinc/21/40/69/559214069.db2.gz SXNJFPNEAGRCNV-UHFFFAOYSA-N 0 0 418.515 3.430 50 0 HGAARN COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)cc3C)n2)cc1OC ZINC000004943632 559214394 /nfs/dbraw/zinc/21/43/94/559214394.db2.gz ZOLJZNPWTXTVAL-UHFFFAOYSA-N 0 0 411.458 3.408 50 0 HGAARN O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccc(Br)cc1F ZINC000004952751 559215940 /nfs/dbraw/zinc/21/59/40/559215940.db2.gz XNMIDHKHTBECES-UHFFFAOYSA-N 0 0 412.284 3.281 50 0 HGAARN CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000004954727 559216491 /nfs/dbraw/zinc/21/64/91/559216491.db2.gz JBQOKHWOJIVBDI-HZPDHXFCSA-N 0 0 401.260 3.307 50 0 HGAARN CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000004971233 559220484 /nfs/dbraw/zinc/22/04/84/559220484.db2.gz PCBOEBZPRDWVHY-YADHBBJMSA-N 0 0 408.498 3.457 50 0 HGAARN CC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(F)c3)cc2C[C@H]1C ZINC000004971575 559220583 /nfs/dbraw/zinc/22/05/83/559220583.db2.gz MGPSMNPVBYBWTR-CQSZACIVSA-N 0 0 418.490 3.234 50 0 HGAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(C)c3)ccc21 ZINC000004971696 559220816 /nfs/dbraw/zinc/22/08/16/559220816.db2.gz LFZDOZYESPNAOL-UHFFFAOYSA-N 0 0 400.500 3.097 50 0 HGAARN CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000036146084 559223337 /nfs/dbraw/zinc/22/33/37/559223337.db2.gz RZFXPEIHQWBMDR-INIZCTEOSA-N 0 0 411.543 3.058 50 0 HGAARN CC(C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000004995208 559225465 /nfs/dbraw/zinc/22/54/65/559225465.db2.gz GCSOWIFYUFOZOS-UHFFFAOYSA-N 0 0 400.422 3.425 50 0 HGAARN COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000005018361 559228831 /nfs/dbraw/zinc/22/88/31/559228831.db2.gz CXHLBFPRVYVEMT-ZDUSSCGKSA-N 0 0 410.908 3.073 50 0 HGAARN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000005039973 559232293 /nfs/dbraw/zinc/23/22/93/559232293.db2.gz POSQRYGSIAAJRZ-UHFFFAOYSA-N 0 0 409.394 3.441 50 0 HGAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N[C@H]3CCCC[C@H]3C)c(C)o2)c1 ZINC000005058442 559238748 /nfs/dbraw/zinc/23/87/48/559238748.db2.gz MWSSUBDDPVHRJS-KDOFPFPSSA-N 0 0 420.531 3.268 50 0 HGAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000005068104 559240358 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/nfs/dbraw/zinc/88/91/13/560889113.db2.gz KHGAUPQVYQIBJW-UHFFFAOYSA-N 0 0 416.543 3.187 50 0 HGAARN Cc1ccc2nc(C)c(NC(=O)c3ccc(I)cc3)c(=O)n2c1 ZINC000012180784 560891376 /nfs/dbraw/zinc/89/13/76/560891376.db2.gz VDIAJKLMVABBOD-UHFFFAOYSA-N 0 0 419.222 3.168 50 0 HGAARN CC(C)(C)C(=O)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000047531280 560891857 /nfs/dbraw/zinc/89/18/57/560891857.db2.gz SHDTZUWTZJIWQR-UHFFFAOYSA-N 0 0 411.999 3.330 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1Cl ZINC000211113589 560894966 /nfs/dbraw/zinc/89/49/66/560894966.db2.gz RACAQFIZBRLEGI-IBGZPJMESA-N 0 0 407.875 3.199 50 0 HGAARN Cc1noc(-c2ccc(N3CCC[C@H](C(=O)N[C@H](C)CCc4ccco4)C3)nc2)n1 ZINC000107098378 560895377 /nfs/dbraw/zinc/89/53/77/560895377.db2.gz LHWXSWBYTAJISA-QAPCUYQASA-N 0 0 409.490 3.387 50 0 HGAARN CC(C)c1c(C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000107542463 560896609 /nfs/dbraw/zinc/89/66/09/560896609.db2.gz YBQCSPGFAGDIBC-OALUTQOASA-N 0 0 400.498 3.118 50 0 HGAARN Cc1cccc(O[C@H](C)C(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)c1 ZINC000045961413 568422660 /nfs/dbraw/zinc/42/26/60/568422660.db2.gz VSBIZYBFIGUMDY-OAHLLOKOSA-N 0 0 420.494 3.210 50 0 HGAARN Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)N5CCCC5)n4ccn3n2)c1 ZINC000045971731 568422844 /nfs/dbraw/zinc/42/28/44/568422844.db2.gz XZSSTKGDHPGMBB-UHFFFAOYSA-N 0 0 406.515 3.375 50 0 HGAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCCC(C)C)CC2)c1C ZINC000046046193 568425235 /nfs/dbraw/zinc/42/52/35/568425235.db2.gz CUYKBZSFMRFPOD-UHFFFAOYSA-N 0 0 419.566 3.142 50 0 HGAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000046057836 568426389 /nfs/dbraw/zinc/42/63/89/568426389.db2.gz VHPYBNDLRRUXMF-KRWDZBQOSA-N 0 0 419.437 3.269 50 0 HGAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)cc1 ZINC000046074903 568427019 /nfs/dbraw/zinc/42/70/19/568427019.db2.gz BNNKUYDZSKZLSC-MRXNPFEDSA-N 0 0 420.494 3.435 50 0 HGAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C ZINC000046146142 568430658 /nfs/dbraw/zinc/43/06/58/568430658.db2.gz MZFFRNWBHAYOBI-UHFFFAOYSA-N 0 0 415.515 3.012 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000047702165 568430835 /nfs/dbraw/zinc/43/08/35/568430835.db2.gz KPUIYLPEFZGQFB-UHFFFAOYSA-N 0 0 401.410 3.277 50 0 HGAARN CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OCC)cc2)c1=O ZINC000051357648 568431017 /nfs/dbraw/zinc/43/10/17/568431017.db2.gz KHZZMSDKNLFUQO-UHFFFAOYSA-N 0 0 409.486 3.391 50 0 HGAARN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)c1 ZINC000047926517 568431548 /nfs/dbraw/zinc/43/15/48/568431548.db2.gz SNQNSUHAEWSJQO-CQSZACIVSA-N 0 0 407.478 3.277 50 0 HGAARN CC(C)(C)n1nc(C2CC2)cc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000048094771 568431925 /nfs/dbraw/zinc/43/19/25/568431925.db2.gz UQODZSFTKFRFKS-OAQYLSRUSA-N 0 0 414.525 3.458 50 0 HGAARN O=C(NCc1cccnc1-n1cccn1)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000048115152 568432079 /nfs/dbraw/zinc/43/20/79/568432079.db2.gz JCSKYTFRXYETCI-UHFFFAOYSA-N 0 0 411.771 3.187 50 0 HGAARN COC(=O)c1cc(-c2csc(NC(=O)Cc3ccc(-n4cccn4)cc3)n2)c[nH]1 ZINC000048236125 568432945 /nfs/dbraw/zinc/43/29/45/568432945.db2.gz FFTNSRCTWRLOAM-UHFFFAOYSA-N 0 0 407.455 3.292 50 0 HGAARN CC(C)c1nc(CC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cs1 ZINC000048260587 568433613 /nfs/dbraw/zinc/43/36/13/568433613.db2.gz YSAVNXMOMPBELV-UHFFFAOYSA-N 0 0 407.499 3.305 50 0 HGAARN COc1cccc(C[C@H](C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)n2nnnc2C)c1 ZINC000048264842 568433874 /nfs/dbraw/zinc/43/38/74/568433874.db2.gz MXDUKJKTGYEGMU-VHKYSDTDSA-N 0 0 409.490 3.149 50 0 HGAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000048253065 568434367 /nfs/dbraw/zinc/43/43/67/568434367.db2.gz ULYGFFWWTJNVLA-OXQOHEQNSA-N 0 0 417.531 3.208 50 0 HGAARN O=C(CCc1ccccc1)NC1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000048288676 568434802 /nfs/dbraw/zinc/43/48/02/568434802.db2.gz QFTAEGJOPYWTIY-UHFFFAOYSA-N 0 0 413.905 3.419 50 0 HGAARN Cc1nccn1-c1cc(CNC(=O)Nc2cccc(OCCn3cccn3)c2)ccn1 ZINC000048311342 568436978 /nfs/dbraw/zinc/43/69/78/568436978.db2.gz NAIXYUQNZUIXCL-UHFFFAOYSA-N 0 0 417.473 3.173 50 0 HGAARN CCOc1c(Cl)cc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1OC ZINC000048312142 568437163 /nfs/dbraw/zinc/43/71/63/568437163.db2.gz DWWGTGVRVVOUCD-UHFFFAOYSA-N 0 0 424.910 3.090 50 0 HGAARN Cc1cccc([C@@H](CNS(=O)(=O)c2cccc(Cl)c2C)N2CCOCC2)c1 ZINC000048302540 568437658 /nfs/dbraw/zinc/43/76/58/568437658.db2.gz HTAUEXUGEMRQLU-LJQANCHMSA-N 0 0 408.951 3.309 50 0 HGAARN CC(C)(C)c1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)[nH]1 ZINC000048302989 568437816 /nfs/dbraw/zinc/43/78/16/568437816.db2.gz DBPFUTXWRPWLGG-UHFFFAOYSA-N 0 0 401.536 3.072 50 0 HGAARN COCCOc1ccc([C@@H](C)NC(=O)c2cncc(Br)c2)cc1OC ZINC000048324592 568438447 /nfs/dbraw/zinc/43/84/47/568438447.db2.gz CCPMTSJSZZATQC-GFCCVEGCSA-N 0 0 409.280 3.369 50 0 HGAARN Cn1cc(C(=O)NC2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)cn1 ZINC000048333206 568439452 /nfs/dbraw/zinc/43/94/52/568439452.db2.gz SUZDKGSBHMLWSK-UHFFFAOYSA-N 0 0 409.317 3.081 50 0 HGAARN O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000048326496 568439723 /nfs/dbraw/zinc/43/97/23/568439723.db2.gz JOCTUGCJXIXOAJ-OAQYLSRUSA-N 0 0 419.485 3.354 50 0 HGAARN CN(Cc1cc(Br)cs1)C(=O)CCN1C(=O)COc2ccccc21 ZINC000048327501 568439900 /nfs/dbraw/zinc/43/99/00/568439900.db2.gz XWKKMKFHRMMTLE-UHFFFAOYSA-N 0 0 409.305 3.285 50 0 HGAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CN(C)c2ccccc2)cc1 ZINC000048344376 568440793 /nfs/dbraw/zinc/44/07/93/568440793.db2.gz MGSMFSJVSWPPIK-SJORKVTESA-N 0 0 403.548 3.018 50 0 HGAARN O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000048361759 568441240 /nfs/dbraw/zinc/44/12/40/568441240.db2.gz IOVKUHYNCGXAIL-UHFFFAOYSA-N 0 0 401.488 3.020 50 0 HGAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1=O ZINC000048989508 568444198 /nfs/dbraw/zinc/44/41/98/568444198.db2.gz ZOABRPQURVAHER-UHFFFAOYSA-N 0 0 416.437 3.252 50 0 HGAARN COC(=O)c1ccc2c(c1)nc(N1CCSCC1)n(-c1cccc(Cl)c1)c2=O ZINC000049006446 568444790 /nfs/dbraw/zinc/44/47/90/568444790.db2.gz ONKUCKRKPBIVNV-UHFFFAOYSA-N 0 0 415.902 3.379 50 0 HGAARN COc1ccc(OCc2noc(CNC(=O)c3ccc(-n4cccc4)cc3)n2)cc1 ZINC000049027309 568445564 /nfs/dbraw/zinc/44/55/64/568445564.db2.gz AVYKKTFESSDJEJ-UHFFFAOYSA-N 0 0 404.426 3.378 50 0 HGAARN Cc1nc(-c2cccc(NC(=O)C3CCC(CNS(C)(=O)=O)CC3)c2)cs1 ZINC000049026037 568445592 /nfs/dbraw/zinc/44/55/92/568445592.db2.gz MNCMWJJCQMLKKH-UHFFFAOYSA-N 0 0 407.561 3.413 50 0 HGAARN COc1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 ZINC000049002393 568446074 /nfs/dbraw/zinc/44/60/74/568446074.db2.gz QUUZJJSQVGVQON-UHFFFAOYSA-N 0 0 420.400 3.352 50 0 HGAARN Cc1cc(C)c(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)c(C)c1 ZINC000049401702 568447855 /nfs/dbraw/zinc/44/78/55/568447855.db2.gz PMEVBASLCKHFBX-UHFFFAOYSA-N 0 0 405.483 3.479 50 0 HGAARN C=Cc1ccc(CN2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(C)cc32)cc1 ZINC000049402651 568448097 /nfs/dbraw/zinc/44/80/97/568448097.db2.gz QUAVFNDWYBBOEQ-UHFFFAOYSA-N 0 0 409.511 3.368 50 0 HGAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(Cl)cc4)CC3)nn2)cc1 ZINC000049405927 568448827 /nfs/dbraw/zinc/44/88/27/568448827.db2.gz BHDJPMURPZKINH-UHFFFAOYSA-N 0 0 423.904 3.264 50 0 HGAARN COc1cccc(CC(=O)NC2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)c1 ZINC000049406530 568448898 /nfs/dbraw/zinc/44/88/98/568448898.db2.gz SUUIKDHCNYCGTF-UHFFFAOYSA-N 0 0 424.526 3.110 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3cc(C)nc(-c4cccc(Cl)c4)n3c2=O)cc1 ZINC000049407088 568449187 /nfs/dbraw/zinc/44/91/87/568449187.db2.gz TXQSHNZHRRYKCM-UHFFFAOYSA-N 0 0 407.861 3.467 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)cc4)n3c2=O)cc1 ZINC000049410639 568449909 /nfs/dbraw/zinc/44/99/09/568449909.db2.gz VOADFGSTJBWRFT-UHFFFAOYSA-N 0 0 406.421 3.029 50 0 HGAARN Cc1ccc(N2CN(CC(=O)Nc3ccccc3C)S(=O)(=O)c3cccnc32)cc1 ZINC000049411435 568450169 /nfs/dbraw/zinc/45/01/69/568450169.db2.gz HLUZJSVBICXHCK-UHFFFAOYSA-N 0 0 422.510 3.437 50 0 HGAARN Cc1ccc(N2CN(CC(=O)Nc3cccc(C)c3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411437 568450193 /nfs/dbraw/zinc/45/01/93/568450193.db2.gz TZTWYXRSKDVSAX-UHFFFAOYSA-N 0 0 422.510 3.437 50 0 HGAARN Cc1ccc(-c2csc3c2[nH]c(N2CCC[C@@H](C(=O)NC4CC4)C2)nc3=O)cc1 ZINC000049421255 568450575 /nfs/dbraw/zinc/45/05/75/568450575.db2.gz VXBUSMAMGFHAST-OAHLLOKOSA-N 0 0 408.527 3.455 50 0 HGAARN COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccccc1 ZINC000049548963 568451727 /nfs/dbraw/zinc/45/17/27/568451727.db2.gz ULFWBGGTNUCTHX-MRXNPFEDSA-N 0 0 412.442 3.422 50 0 HGAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nncs2)C12CCCCC2 ZINC000049549947 568451810 /nfs/dbraw/zinc/45/18/10/568451810.db2.gz KUZNEHJOFYWZEN-MRXNPFEDSA-N 0 0 400.504 3.066 50 0 HGAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N([C@H](C)C3CC3)C3CC3)CC2)c1 ZINC000049675770 568453171 /nfs/dbraw/zinc/45/31/71/568453171.db2.gz GRDWXALFCCNNNR-OAHLLOKOSA-N 0 0 400.519 3.346 50 0 HGAARN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCCc2nc(C(C)C)no2)cc1 ZINC000049748723 568453457 /nfs/dbraw/zinc/45/34/57/568453457.db2.gz FYNVFAHOHWYOIY-QGZVFWFLSA-N 0 0 400.479 3.154 50 0 HGAARN CS(=O)(=O)c1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000012232686 568454204 /nfs/dbraw/zinc/45/42/04/568454204.db2.gz BQDSCIDFTQYVDT-UHFFFAOYSA-N 0 0 400.481 3.170 50 0 HGAARN CCOc1ccc(N2C[C@H](NC(=O)c3ccccc3Br)CC2=O)cc1 ZINC000005195874 568455287 /nfs/dbraw/zinc/45/52/87/568455287.db2.gz RMDAESPRCIFRMB-CYBMUJFWSA-N 0 0 403.276 3.383 50 0 HGAARN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)c1 ZINC000000630777 568456349 /nfs/dbraw/zinc/45/63/49/568456349.db2.gz ZMWAVQKPAKLZHX-UHFFFAOYSA-N 0 0 409.511 3.107 50 0 HGAARN O=C(CCc1ccc2c(c1)OCO2)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024684456 568456730 /nfs/dbraw/zinc/45/67/30/568456730.db2.gz DQUIAKUHEOXTLT-UHFFFAOYSA-N 0 0 408.435 3.314 50 0 HGAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000020723671 568457856 /nfs/dbraw/zinc/45/78/56/568457856.db2.gz ADRAJSOYDBQBDU-DPZKZMLUSA-N 0 0 422.888 3.447 50 0 HGAARN CCS(=O)(=O)c1ncc(CN2CCC(COC)CC2)n1CCCc1ccccc1 ZINC000012297226 568463063 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C[S@](=O)c1ccc(NC(=O)C(=O)N2CC3(CCCC3)c3c2cccc3F)cc1 ZINC000225687223 568664423 /nfs/dbraw/zinc/66/44/23/568664423.db2.gz UBILSVBXTSIWTH-NDEPHWFRSA-N 0 0 400.475 3.360 50 0 HGAARN O=C(c1ccccc1)N1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2 ZINC000021093494 568664451 /nfs/dbraw/zinc/66/44/51/568664451.db2.gz RBOPPFXFXGEDNN-UHFFFAOYSA-N 0 0 412.287 3.001 50 0 HGAARN O=C(c1cccc2c1SCCC2=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021102963 568666535 /nfs/dbraw/zinc/66/65/35/568666535.db2.gz RQULVBHNWDRGQM-UHFFFAOYSA-N 0 0 410.495 3.052 50 0 HGAARN CN(Cc1ccco1)C(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109620 568667949 /nfs/dbraw/zinc/66/79/49/568667949.db2.gz SUAGYHRWUBMHQI-PMERELPUSA-N 0 0 422.510 3.163 50 0 HGAARN Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)N1CCc2ccccc2C1 ZINC000021151920 568672553 /nfs/dbraw/zinc/67/25/53/568672553.db2.gz JCNBEBCBIDWHLM-JOCHJYFZSA-N 0 0 407.489 3.459 50 0 HGAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)s1 ZINC000021153728 568672859 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COc1ccc(-c2nn(CCCC(=O)NCCc3ccccc3)c(=O)cc2OC)cc1 ZINC000096100936 568691058 /nfs/dbraw/zinc/69/10/58/568691058.db2.gz QJMGRKQAFXPCSW-UHFFFAOYSA-N 0 0 421.497 3.067 50 0 HGAARN Cn1ccnc1[C@](O)(CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)C(F)(F)F ZINC000055524853 568691318 /nfs/dbraw/zinc/69/13/18/568691318.db2.gz KGQJZFZJUCMUSS-RDTXWAMCSA-N 0 0 415.843 3.447 50 0 HGAARN O=C(c1ccc(F)cc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000096105623 568693125 /nfs/dbraw/zinc/69/31/25/568693125.db2.gz XINHVEOKSZINOB-UHFFFAOYSA-N 0 0 415.852 3.206 50 0 HGAARN COc1ccc(C(=O)CNC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)cc1 ZINC000096113855 568693317 /nfs/dbraw/zinc/69/33/17/568693317.db2.gz ROAIOAPMOXDIDR-UHFFFAOYSA-N 0 0 409.438 3.050 50 0 biogenic HGAARN COc1ccc(C(=O)CNC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 ZINC000096115493 568695178 /nfs/dbraw/zinc/69/51/78/568695178.db2.gz LCGVQYCMBDXISZ-UHFFFAOYSA-N 0 0 409.438 3.105 50 0 biogenic HGAARN O=C(Nc1nc2ccccc2s1)c1cc(Br)ccc1-n1cnnn1 ZINC000012390765 568695183 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O=S(=O)(Cc1cc(F)ccc1F)NCCn1nc(-c2ccncc2)cc1C1CC1 ZINC000096121684 568699831 /nfs/dbraw/zinc/69/98/31/568699831.db2.gz YNVSNIQNNJOHTL-UHFFFAOYSA-N 0 0 418.469 3.220 50 0 HGAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000007968722 568702166 /nfs/dbraw/zinc/70/21/66/568702166.db2.gz WKOLFAUGEOYGLP-FQEVSTJZSA-N 0 0 400.500 3.380 50 0 HGAARN CCOC(=O)[C@]1(C)Oc2cc(NC(=O)CSc3ccccc3)ccc2NC1=O ZINC000096182243 568702664 /nfs/dbraw/zinc/70/26/64/568702664.db2.gz YAUYEARHHNNEOC-HXUWFJFHSA-N 0 0 400.456 3.070 50 0 HGAARN O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000096210766 568704763 /nfs/dbraw/zinc/70/47/63/568704763.db2.gz IUFXOHWUFBZSTK-SFHVURJKSA-N 0 0 410.861 3.311 50 0 HGAARN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)[nH]c2c1 ZINC000096221897 568705434 /nfs/dbraw/zinc/70/54/34/568705434.db2.gz QZKBFRIVXRFRID-OAHLLOKOSA-N 0 0 403.390 3.393 50 0 biogenic HGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cn1ncc2ccccc2c1=O ZINC000096224244 568706646 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50 0 HGAARN CCNC(=O)N1CCc2nc(N(C)C3CCCCC3)nc(N3CCCCC3)c2C1 ZINC000096280958 568718440 /nfs/dbraw/zinc/71/84/40/568718440.db2.gz DHEMKCBIOHODAY-UHFFFAOYSA-N 0 0 400.571 3.323 50 0 HGAARN O=C(c1cnn2c1nc(-c1ccc3c(c1)OCO3)cc2C(F)(F)F)N1CCCC1 ZINC000000862903 568719166 /nfs/dbraw/zinc/71/91/66/568719166.db2.gz OHILVJRDWLTZLQ-UHFFFAOYSA-N 0 0 404.348 3.380 50 0 HGAARN C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)NCc3ccc(Cn4cccn4)cc3)CC2=O)[C@@H]1C ZINC000014070497 568719536 /nfs/dbraw/zinc/71/95/36/568719536.db2.gz LBZCQCOUJVPURL-UBBRYJJRSA-N 0 0 408.546 3.221 50 0 HGAARN COc1ccc(C2=NS(=O)(=O)c3cc(NC(C)=O)ccc3N2CC(C)C)cc1 ZINC000096292845 568721447 /nfs/dbraw/zinc/72/14/47/568721447.db2.gz UERYEUXFNBXMSR-UHFFFAOYSA-N 0 0 401.488 3.265 50 0 HGAARN CCOc1ccc(C=CC(=O)OCC(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000096298699 568722814 /nfs/dbraw/zinc/72/28/14/568722814.db2.gz HICFRXVLSMRUPR-YFHOEESVSA-N 0 0 405.450 3.360 50 0 HGAARN COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cccc(Cl)c3)C1=O)CC2 ZINC000096305300 568723394 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3.346 50 0 HGAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CN(C)c2ccccc2)cc1 ZINC000058107229 568886533 /nfs/dbraw/zinc/88/65/33/568886533.db2.gz PGHRMDHZBFJFKV-IBGZPJMESA-N 0 0 402.516 3.153 50 0 HGAARN Cc1cc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000003360036 568887568 /nfs/dbraw/zinc/88/75/68/568887568.db2.gz AQPYWOOFEXTBOS-UHFFFAOYSA-N 0 0 415.511 3.436 50 0 HGAARN O=C(Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1)c1ccco1 ZINC000030761788 568887739 /nfs/dbraw/zinc/88/77/39/568887739.db2.gz BIXBKTMVDVCDAP-QGZVFWFLSA-N 0 0 421.453 3.294 50 0 HGAARN C[C@@H](OC(=O)CCNC(=O)c1ccc(N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003362321 568888369 /nfs/dbraw/zinc/88/83/69/568888369.db2.gz MUAGLSWCDZVMCU-LLVKDONJSA-N 0 0 424.284 3.266 50 0 HGAARN CC1(C)NC(=O)N(CCOC(=O)COc2ccc(-c3ccccc3)cc2Cl)C1=O ZINC000030786709 568890020 /nfs/dbraw/zinc/89/00/20/568890020.db2.gz CHQMWXUOCLICBG-UHFFFAOYSA-N 0 0 416.861 3.259 50 0 HGAARN CC(C)OCc1c2ccccc2oc1C(=O)OCC(=O)Nc1sccc1C(N)=O ZINC000003380297 568892259 /nfs/dbraw/zinc/89/22/59/568892259.db2.gz YLODAAYQHARESX-UHFFFAOYSA-N 0 0 416.455 3.314 50 0 HGAARN CSCC[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C ZINC000504698913 568892645 /nfs/dbraw/zinc/89/26/45/568892645.db2.gz NRGCJIKFNRXEMU-SJLPKXTDSA-N 0 0 424.574 3.190 50 0 HGAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1CCc1ccccc1)C(=O)NC(N)=O ZINC000003391838 568894613 /nfs/dbraw/zinc/89/46/13/568894613.db2.gz KLWTUXLMQQIXDF-CYBMUJFWSA-N 0 0 413.478 3.002 50 0 HGAARN O=C(COC(=O)c1ccccc1I)NCCCc1ccccc1 ZINC000003391555 568894669 /nfs/dbraw/zinc/89/46/69/568894669.db2.gz CICPBEHJFKCUPT-UHFFFAOYSA-N 0 0 423.250 3.197 50 0 HGAARN COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000058168016 568895737 /nfs/dbraw/zinc/89/57/37/568895737.db2.gz ACIGVWYIECALCB-LBPRGKRZSA-N 0 0 417.259 3.227 50 0 HGAARN COc1ccccc1-c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccccc1 ZINC000003401577 568896704 /nfs/dbraw/zinc/89/67/04/568896704.db2.gz ZZNBXCHANNICMO-UHFFFAOYSA-N 0 0 408.483 3.184 50 0 HGAARN NC(=O)c1cc(NC(=O)CCCSc2nc3ccccc3s2)cc(C(N)=O)c1 ZINC000003404779 568896919 /nfs/dbraw/zinc/89/69/19/568896919.db2.gz SHYLEFUJEVUXOH-UHFFFAOYSA-N 0 0 414.512 3.005 50 0 HGAARN CC[C@@H](C)N(C(=O)COc1ccccc1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003405983 568897249 /nfs/dbraw/zinc/89/72/49/568897249.db2.gz LXUADJYAHISQBQ-WIYYLYMNSA-N 0 0 415.555 3.470 50 0 HGAARN CC[C@H](C)N(C(=O)COc1ccccc1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000003405979 568897262 /nfs/dbraw/zinc/89/72/62/568897262.db2.gz LXUADJYAHISQBQ-RXVVDRJESA-N 0 0 415.555 3.470 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000003412911 568898471 /nfs/dbraw/zinc/89/84/71/568898471.db2.gz IOLMAAMXBHQYGP-UHFFFAOYSA-N 0 0 400.460 3.019 50 0 HGAARN COc1cccc(Nc2nnc(SCC(=O)NC(=O)NCc3ccco3)s2)c1 ZINC000003439472 568903414 /nfs/dbraw/zinc/90/34/14/568903414.db2.gz DDCIHERBXQXTBV-UHFFFAOYSA-N 0 0 419.488 3.001 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000003459242 568906847 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COC(=O)C[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 ZINC000031052429 568911137 /nfs/dbraw/zinc/91/11/37/568911137.db2.gz BERFIMOBXLCWRT-GOSISDBHSA-N 0 0 416.861 3.024 50 0 HGAARN CCOc1cccc(CNC(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)c1 ZINC000263618040 568911414 /nfs/dbraw/zinc/91/14/14/568911414.db2.gz QZCWCQDYSMHEPY-NRFANRHFSA-N 0 0 407.470 3.492 50 0 HGAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 ZINC000263617186 568911447 /nfs/dbraw/zinc/91/14/47/568911447.db2.gz MOJJHMHEADXWGB-KRWDZBQOSA-N 0 0 407.493 3.280 50 0 HGAARN CCC(CC)c1nc(Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)no1 ZINC000263617846 568911708 /nfs/dbraw/zinc/91/17/08/568911708.db2.gz PZTDUVBKEXECCG-UHFFFAOYSA-N 0 0 411.437 3.129 50 0 HGAARN CC(C)Oc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1 ZINC000263617991 568911807 /nfs/dbraw/zinc/91/18/07/568911807.db2.gz QUKKXAPSGSVVBZ-FQEVSTJZSA-N 0 0 410.449 3.406 50 0 HGAARN O=C1OCC2=C1[C@@H](c1cccs1)NC(=O)N2Cc1noc(C2CCCCC2)n1 ZINC000263618843 568912014 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C[C@@H](OC(=O)c1cccc(I)c1)C(=O)N1CCc2ccccc21 ZINC000003544607 568914218 /nfs/dbraw/zinc/91/42/18/568914218.db2.gz BYXCNLZHSZFJBK-GFCCVEGCSA-N 0 0 421.234 3.426 50 0 HGAARN O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003552794 568914948 /nfs/dbraw/zinc/91/49/48/568914948.db2.gz ZEEJNKPFYPUDGI-UHFFFAOYSA-N 0 0 406.533 3.233 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCC3CCCC3)c2)C[C@H](C)O1 ZINC000031145817 568915597 /nfs/dbraw/zinc/91/55/97/568915597.db2.gz JSXRUIYWNQGMCI-CALCHBBNSA-N 0 0 408.564 3.185 50 0 HGAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)N1CCOCC1 ZINC000003562937 568915966 /nfs/dbraw/zinc/91/59/66/568915966.db2.gz JLINQPRJOPMXDV-UHFFFAOYSA-N 0 0 412.490 3.083 50 0 HGAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)NC1CC1 ZINC000003563659 568916250 /nfs/dbraw/zinc/91/62/50/568916250.db2.gz LSJXHRFAKSFURT-UHFFFAOYSA-N 0 0 417.437 3.358 50 0 HGAARN C[C@H](NC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004148169 568916643 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409.463 3.367 50 0 HGAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1C(F)(F)F ZINC000004165702 568918956 /nfs/dbraw/zinc/91/89/56/568918956.db2.gz BBHWNBHXEGODEG-UHFFFAOYSA-N 0 0 413.359 3.240 50 0 HGAARN CCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1 ZINC000004513133 568919053 /nfs/dbraw/zinc/91/90/53/568919053.db2.gz TZPCYHDUKQGNFQ-HXUWFJFHSA-N 0 0 401.850 3.144 50 0 HGAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000004166744 568919379 /nfs/dbraw/zinc/91/93/79/568919379.db2.gz FNLIYPZSTKHKKD-UHFFFAOYSA-N 0 0 406.471 3.258 50 0 HGAARN Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000003610203 568919838 /nfs/dbraw/zinc/91/98/38/568919838.db2.gz OPCMIJOGNNTXAM-INIZCTEOSA-N 0 0 402.516 3.433 50 0 HGAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)N4CCCC4)cc3[nH]c2=S)c1 ZINC000003630112 568921012 /nfs/dbraw/zinc/92/10/12/568921012.db2.gz OUSLQOMAVCSPNQ-UHFFFAOYSA-N 0 0 411.483 3.301 50 0 HGAARN COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4nc5ccccc5n43)C(=O)N1CC2 ZINC000001390392 568924414 /nfs/dbraw/zinc/92/44/14/568924414.db2.gz DGOPHSLXOUGYGF-GOSISDBHSA-N 0 0 400.438 3.195 50 0 HGAARN CCn1c(SC)nnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000001391770 568924513 /nfs/dbraw/zinc/92/45/13/568924513.db2.gz ADGVJYZTJBRVHE-KRWDZBQOSA-N 0 0 420.535 3.421 50 0 HGAARN O=C(NCCCSc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000031355360 568924757 /nfs/dbraw/zinc/92/47/57/568924757.db2.gz ZTNAWXFKALYEKR-IBGZPJMESA-N 0 0 422.547 3.277 50 0 HGAARN Cc1c(CS(=O)(=O)c2ccccc2)[nH]c(=O)n1-c1ccc(OC(F)(F)F)cc1 ZINC000001396045 568926207 /nfs/dbraw/zinc/92/62/07/568926207.db2.gz YSCZCNXKYOIMTJ-UHFFFAOYSA-N 0 0 412.389 3.347 50 0 HGAARN Cc1cc(N2CCN(C(=O)c3ccc(OC[C@H]4CCCO4)cc3)CC2)nc(C(C)C)n1 ZINC000031493630 568926934 /nfs/dbraw/zinc/92/69/34/568926934.db2.gz BCVPXHQSFAEJCM-OAQYLSRUSA-N 0 0 424.545 3.429 50 0 HGAARN CC(=O)NCc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)s1 ZINC000025874125 568927004 /nfs/dbraw/zinc/92/70/04/568927004.db2.gz RQRCWOPQLUVMKO-UHFFFAOYSA-N 0 0 404.966 3.108 50 0 HGAARN O=C(Nc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000001401320 568927180 /nfs/dbraw/zinc/92/71/80/568927180.db2.gz WNFPRCJAKLDWNJ-MRXNPFEDSA-N 0 0 409.305 3.241 50 0 HGAARN CSc1ccccc1NC(=O)CN(C)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000031551942 568927963 /nfs/dbraw/zinc/92/79/63/568927963.db2.gz PQCBKJMFTYBWNW-INIZCTEOSA-N 0 0 411.527 3.397 50 0 HGAARN Nc1nc(Cn2cnc3sc4c(c3c2=O)CCCC4)nc(Nc2ccc(F)cc2)n1 ZINC000031627246 568928660 /nfs/dbraw/zinc/92/86/60/568928660.db2.gz OXJNZUNQQIONCB-UHFFFAOYSA-N 0 0 423.477 3.035 50 0 HGAARN Cc1cc(S(=O)(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c(C)s1 ZINC000031720556 568929770 /nfs/dbraw/zinc/92/97/70/568929770.db2.gz CMHCXCWYYVXRNQ-GOSISDBHSA-N 0 0 420.556 3.334 50 0 HGAARN O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@H](c1ccccc1)C1CC1 ZINC000031749422 568930249 /nfs/dbraw/zinc/93/02/49/568930249.db2.gz MSBDCIAKCITLTC-HXUWFJFHSA-N 0 0 415.287 3.442 50 0 HGAARN CN(CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012744981 568931012 /nfs/dbraw/zinc/93/10/12/568931012.db2.gz SJJKYSVXTDZRLO-HNNXBMFYSA-N 0 0 408.907 3.190 50 0 HGAARN CCCCN1C(=O)C([C@@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)C([O-])=NC1=S ZINC000003985165 568931149 /nfs/dbraw/zinc/93/11/49/568931149.db2.gz XFYHOAUDFPRDPW-KRWDZBQOSA-N 0 0 400.504 3.137 50 0 biogenic HGAARN O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000031820087 568933165 /nfs/dbraw/zinc/93/31/65/568933165.db2.gz MVQBJVWPKXDHQC-UHFFFAOYSA-N 0 0 424.504 3.276 50 0 HGAARN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000012747359 568933469 /nfs/dbraw/zinc/93/34/69/568933469.db2.gz UMXJBKYRRNOFKV-SFHVURJKSA-N 0 0 404.413 3.390 50 0 HGAARN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(O)cc3)c2)C[C@H](C)O1 ZINC000004018988 568933754 /nfs/dbraw/zinc/93/37/54/568933754.db2.gz JZOQGTFGURMMSU-STQMWFEESA-N 0 0 424.906 3.096 50 0 HGAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSCC(N)=O ZINC000004026624 568933870 /nfs/dbraw/zinc/93/38/70/568933870.db2.gz ZKNXKMBLZGFNHY-HBGFBWKXSA-N 0 0 419.587 3.037 50 0 biogenic HGAARN CC(C)Oc1ccc(COC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000004029546 568934379 /nfs/dbraw/zinc/93/43/79/568934379.db2.gz OILBOKGOPKPAQB-LCWAXJCOSA-N 0 0 408.491 3.387 50 0 biogenic HGAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(OC)c1OC ZINC000001418579 568935004 /nfs/dbraw/zinc/93/50/04/568935004.db2.gz PGAJLFCDCJEJPL-IBGZPJMESA-N 0 0 421.457 3.232 50 0 HGAARN Cc1cc(NCc2c(C)nn(-c3ccc(F)cc3)c2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000084102074 568937719 /nfs/dbraw/zinc/93/77/19/568937719.db2.gz KDLYLHDDACECMK-SFHVURJKSA-N 0 0 417.510 3.105 50 0 HGAARN C[C@H](Oc1ccc(I)cc1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000001429952 568939671 /nfs/dbraw/zinc/93/96/71/568939671.db2.gz ITAGSLUISMPDPI-NSHDSACASA-N 0 0 421.238 3.251 50 0 HGAARN COc1cc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc(OC)c1OC ZINC000001429695 568939780 /nfs/dbraw/zinc/93/97/80/568939780.db2.gz LKRCOSFQXAAELP-OAHLLOKOSA-N 0 0 413.401 3.183 50 0 HGAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NC[C@@H]4CCCO4)ccc32)cc1 ZINC000004084698 568939945 /nfs/dbraw/zinc/93/99/45/568939945.db2.gz JJXGCKNTACJKER-SFHVURJKSA-N 0 0 409.438 3.143 50 0 biogenic HGAARN CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)N1CCc2ccccc21 ZINC000012751245 568940464 /nfs/dbraw/zinc/94/04/64/568940464.db2.gz QERWFISJPRZHGC-GOSISDBHSA-N 0 0 418.584 3.293 50 0 HGAARN CCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000004836503 568941002 /nfs/dbraw/zinc/94/10/02/568941002.db2.gz CZZSQHPOTPYQSY-UHFFFAOYSA-N 0 0 418.515 3.075 50 0 HGAARN COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000012759469 568943834 /nfs/dbraw/zinc/94/38/34/568943834.db2.gz SSLQWUPBALRMQU-UHFFFAOYSA-N 0 0 422.506 3.435 50 0 HGAARN Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)c1 ZINC000004111185 568944133 /nfs/dbraw/zinc/94/41/33/568944133.db2.gz BUQMDYIRPQYSQF-UHFFFAOYSA-N 0 0 402.501 3.409 50 0 HGAARN CN(C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000012757017 568944256 /nfs/dbraw/zinc/94/42/56/568944256.db2.gz DQOZBGDUFFUYSY-UHFFFAOYSA-N 0 0 414.465 3.392 50 0 HGAARN Cc1ccccc1[C@H](C)NC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000084234812 568945066 /nfs/dbraw/zinc/94/50/66/568945066.db2.gz MSRPTAKCEKHBED-GOEBONIOSA-N 0 0 402.520 3.311 50 0 HGAARN Cn1c(=O)c2c(SCc3ccccc3F)nc(CC(C)(C)C)nc2n(C)c1=O ZINC000004139042 568945992 /nfs/dbraw/zinc/94/59/92/568945992.db2.gz PRCVKWDLNFIGRM-UHFFFAOYSA-N 0 0 402.495 3.047 50 0 HGAARN CC(C)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)s1 ZINC000012764262 568947286 /nfs/dbraw/zinc/94/72/86/568947286.db2.gz WSNDNMOSMAZTOQ-UHFFFAOYSA-N 0 0 400.913 3.008 50 0 HGAARN COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1S(=O)(=O)N(C)C ZINC000012766868 568948923 /nfs/dbraw/zinc/94/89/23/568948923.db2.gz MKSGTXJBYQKLNC-UHFFFAOYSA-N 0 0 405.501 3.116 50 0 HGAARN CNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc(C)c1C ZINC000012767364 568949373 /nfs/dbraw/zinc/94/93/73/568949373.db2.gz YNVAPTKNFCHSCI-UHFFFAOYSA-N 0 0 402.516 3.025 50 0 HGAARN COc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004182953 568949541 /nfs/dbraw/zinc/94/95/41/568949541.db2.gz VQANRAUHNNEKMP-LJQANCHMSA-N 0 0 417.527 3.312 50 0 HGAARN CC(C)c1ccc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004183504 568949715 /nfs/dbraw/zinc/94/97/15/568949715.db2.gz KRHOVEUPNKZUMH-QGZVFWFLSA-N 0 0 407.557 3.466 50 0 HGAARN COc1cc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc(OC)c1OCC(N)=O ZINC000012768739 568950030 /nfs/dbraw/zinc/95/00/30/568950030.db2.gz MRLUPFSBYMYMFI-OAHLLOKOSA-N 0 0 414.502 3.257 50 0 HGAARN Cc1ccc(C(=O)N2CCC(NC(=O)[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000670459813 568950469 /nfs/dbraw/zinc/95/04/69/568950469.db2.gz BSBLFMGQUJEFOY-LJQANCHMSA-N 0 0 420.431 3.468 50 0 HGAARN COc1ccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2-c2ccccc2)cc1 ZINC000004211644 568952129 /nfs/dbraw/zinc/95/21/29/568952129.db2.gz AHAPNGDJWVHVHL-IBGZPJMESA-N 0 0 424.526 3.330 50 0 HGAARN O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000012772213 568952426 /nfs/dbraw/zinc/95/24/26/568952426.db2.gz ACEOMJHSEQBUKY-QGZVFWFLSA-N 0 0 415.342 3.345 50 0 HGAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2F)nnc1N1CCOCC1 ZINC000012774173 568953362 /nfs/dbraw/zinc/95/33/62/568953362.db2.gz NNDOQHYHACZZCK-AWEZNQCLSA-N 0 0 407.515 3.029 50 0 HGAARN CC(C)c1nc([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cs1 ZINC000084630954 568953673 /nfs/dbraw/zinc/95/36/73/568953673.db2.gz MOLLIPOGZNESGE-LLVKDONJSA-N 0 0 402.563 3.247 50 0 HGAARN CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O ZINC000004249478 568954268 /nfs/dbraw/zinc/95/42/68/568954268.db2.gz QFZVHUBXRFRIBE-ZDUSSCGKSA-N 0 0 415.925 3.446 50 0 HGAARN Cc1c(Cl)cccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(CC(C)C)c3=O ZINC000004249479 568954285 /nfs/dbraw/zinc/95/42/85/568954285.db2.gz RWVFIZWPECWINW-ZDUSSCGKSA-N 0 0 415.925 3.302 50 0 HGAARN CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n21 ZINC000004250324 568954514 /nfs/dbraw/zinc/95/45/14/568954514.db2.gz KCVBFVZAGGCZSS-UHFFFAOYSA-N 0 0 411.409 3.120 50 0 HGAARN Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)ccc1Br ZINC000012776061 568954650 /nfs/dbraw/zinc/95/46/50/568954650.db2.gz AJOBXRCREDRYQP-NSHDSACASA-N 0 0 415.284 3.202 50 0 HGAARN CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000012776476 568954989 /nfs/dbraw/zinc/95/49/89/568954989.db2.gz JATNSTSBJNLRAH-UHFFFAOYSA-N 0 0 401.513 3.242 50 0 HGAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000012778400 568956347 /nfs/dbraw/zinc/95/63/47/568956347.db2.gz AGWNGOZESROGHU-LJQANCHMSA-N 0 0 417.462 3.100 50 0 HGAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1cccc(F)c1 ZINC000012779999 568956911 /nfs/dbraw/zinc/95/69/11/568956911.db2.gz WVGHLQZUXNLEIC-UHFFFAOYSA-N 0 0 407.371 3.496 50 0 HGAARN CCC(CC)[C@@H](CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)OC ZINC000084727351 568957252 /nfs/dbraw/zinc/95/72/52/568957252.db2.gz BTVDPPMOGRPJGK-MRXNPFEDSA-N 0 0 400.541 3.025 50 0 HGAARN CC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000084727092 568957267 /nfs/dbraw/zinc/95/72/67/568957267.db2.gz KVDNYOUQVVIMOU-NZQKXSOJSA-N 0 0 406.530 3.291 50 0 HGAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1=O ZINC000012781838 568958089 /nfs/dbraw/zinc/95/80/89/568958089.db2.gz PODNEWNSMUKWGZ-INIZCTEOSA-N 0 0 407.474 3.403 50 0 HGAARN Cc1c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)sc2[nH]c(C)nc(=O)c12 ZINC000012782463 568958588 /nfs/dbraw/zinc/95/85/88/568958588.db2.gz PIIVBFTXKBFOLH-UZWIWUQPSA-N 0 0 405.520 3.088 50 0 HGAARN CC(=O)N1CCc2c(sc(NC(=O)Cc3cccc4ccccc43)c2C(N)=O)C1 ZINC000004280403 568958801 /nfs/dbraw/zinc/95/88/01/568958801.db2.gz NSLGXLYHGBYGLF-UHFFFAOYSA-N 0 0 407.495 3.086 50 0 HGAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1 ZINC000004281751 568958912 /nfs/dbraw/zinc/95/89/12/568958912.db2.gz JKMJNULMOCXLDV-UHFFFAOYSA-N 0 0 423.560 3.171 50 0 HGAARN CC(C)CNC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000004286382 568959204 /nfs/dbraw/zinc/95/92/04/568959204.db2.gz DSQLWYVJGNYOQK-MRXNPFEDSA-N 0 0 417.333 3.453 50 0 HGAARN CCOC(=O)CN(CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C(C)(C)C ZINC000084793458 568959741 /nfs/dbraw/zinc/95/97/41/568959741.db2.gz QDFNKJDNIFVGOX-UHFFFAOYSA-N 0 0 400.401 3.184 50 0 HGAARN Cc1ccc(C(=O)NCC(=O)NCCSc2ccc(Br)cc2)cc1 ZINC000012785908 568960019 /nfs/dbraw/zinc/96/00/19/568960019.db2.gz ZEMTULGZOCXSNN-UHFFFAOYSA-N 0 0 407.333 3.396 50 0 HGAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000004302092 568960118 /nfs/dbraw/zinc/96/01/18/568960118.db2.gz RRJHHRKRWDEWLX-CYBMUJFWSA-N 0 0 418.298 3.181 50 0 HGAARN Cc1[nH]c(=O)sc1S(=O)(=O)Oc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 ZINC000012787041 568960355 /nfs/dbraw/zinc/96/03/55/568960355.db2.gz ORHNBZFRVYVTOW-UHFFFAOYSA-N 0 0 418.496 3.098 50 0 HGAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1S(=O)(=O)N(C)C ZINC000012787655 568960638 /nfs/dbraw/zinc/96/06/38/568960638.db2.gz OFOVABHLRNPYIU-UHFFFAOYSA-N 0 0 417.512 3.321 50 0 HGAARN CC(C)c1ccc(NC(=O)Cn2nc(-c3ccc4c(c3)OCCO4)ccc2=O)cc1 ZINC000015669676 568961236 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405.542 3.299 50 0 HGAARN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000021835483 569042333 /nfs/dbraw/zinc/04/23/33/569042333.db2.gz ODCDYNQZNRMINK-JYLQPTBZSA-N 0 0 405.542 3.299 50 0 HGAARN COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCCC3)N2CCOCC2)cc1 ZINC000012977527 569042399 /nfs/dbraw/zinc/04/23/99/569042399.db2.gz LUHJHEYBVZADCJ-IBGZPJMESA-N 0 0 400.544 3.439 50 0 HGAARN CC(C)Sc1ccc(CC(=O)N2CCCSC[C@H]2CN2CCOCC2)cc1 ZINC000090609152 569042465 /nfs/dbraw/zinc/04/24/65/569042465.db2.gz WLFYSNDLIZPGNQ-LJQANCHMSA-N 0 0 408.633 3.396 50 0 HGAARN CCCCn1c(N)c(N(CCC)C(=O)C=Cc2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000013041699 569043494 /nfs/dbraw/zinc/04/34/94/569043494.db2.gz NTSPKUVEUAQXRO-DHZHZOJOSA-N 0 0 404.898 3.029 50 0 HGAARN CCN(C(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1)c1cccc(C)c1 ZINC000035534962 569043529 /nfs/dbraw/zinc/04/35/29/569043529.db2.gz WHTJFOKXNPVZOW-LJQANCHMSA-N 0 0 400.500 3.036 50 0 HGAARN COc1ccc(OCC(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000035526805 569043831 /nfs/dbraw/zinc/04/38/31/569043831.db2.gz WGSOWZWTPJUNNT-QHCPKHFHSA-N 0 0 414.477 3.158 50 0 HGAARN CC(C)Cn1c2nnc(CCC(=O)N[C@H]3CCCC[C@H]3C)n2c2ccsc2c1=O ZINC000035528539 569043985 /nfs/dbraw/zinc/04/39/85/569043985.db2.gz YDJRFNNELXCNAJ-CABCVRRESA-N 0 0 415.563 3.389 50 0 HGAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1C[C@@H]1CCCO1 ZINC000035528213 569043987 /nfs/dbraw/zinc/04/39/87/569043987.db2.gz KSLFIONWKZGUGM-REYXVDKWSA-N 0 0 424.545 3.125 50 0 HGAARN CCCn1c2nnc(CCC(=O)NC3CCC(C)CC3)n2c2ccsc2c1=O ZINC000035528685 569044049 /nfs/dbraw/zinc/04/40/49/569044049.db2.gz XQAIIIAWLPGMBK-UHFFFAOYSA-N 0 0 401.536 3.143 50 0 HGAARN CCCCn1c2nnc(SCC(=O)N3CCC[C@H](C)C3)n2c2ccsc2c1=O ZINC000035532059 569044431 /nfs/dbraw/zinc/04/44/31/569044431.db2.gz YWPRRWXWJBFOMQ-ZDUSSCGKSA-N 0 0 419.576 3.256 50 0 HGAARN O=C(CSc1ncnc2nc(N3CCSCC3)sc21)NCc1ccccc1 ZINC000035532953 569044445 /nfs/dbraw/zinc/04/44/45/569044445.db2.gz VKKQNBUWHZEMLX-UHFFFAOYSA-N 0 0 417.585 3.048 50 0 HGAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)cc2)no1 ZINC000035552741 569044578 /nfs/dbraw/zinc/04/45/78/569044578.db2.gz UMMMEUFBCDULMO-UHFFFAOYSA-N 0 0 422.485 3.279 50 0 HGAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cc2)no1 ZINC000035552750 569044603 /nfs/dbraw/zinc/04/46/03/569044603.db2.gz XZBPBQKMKAEHFK-UHFFFAOYSA-N 0 0 405.502 3.327 50 0 HGAARN O=S(=O)(NCc1ccc2c(c1)OCO2)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557166 569044799 /nfs/dbraw/zinc/04/47/99/569044799.db2.gz CFAUKLHEKDKKQR-UHFFFAOYSA-N 0 0 419.484 3.273 50 0 HGAARN COc1ccc(CC(=O)Nc2nn(C)c3c2[C@H](c2ccccc2)CC(=O)N3)cc1OC ZINC000035597865 569045808 /nfs/dbraw/zinc/04/58/08/569045808.db2.gz JFKPNJBYYYASBA-INIZCTEOSA-N 0 0 420.469 3.093 50 0 HGAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000006384671 569046261 /nfs/dbraw/zinc/04/62/61/569046261.db2.gz MDPCRRWOMNTUOU-CQSZACIVSA-N 0 0 414.483 3.155 50 0 HGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccncc2)CO[C@]12CCC[C@H](C)C2 ZINC000035638771 569046786 /nfs/dbraw/zinc/04/67/86/569046786.db2.gz OLUINMKGEBVEDD-JBUDQFAYSA-N 0 0 407.514 3.454 50 0 HGAARN CSc1ccc(C)c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000012986994 569047444 /nfs/dbraw/zinc/04/74/44/569047444.db2.gz ULKIPJAGUGZUKT-UHFFFAOYSA-N 0 0 404.557 3.300 50 0 HGAARN O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000012990255 569047557 /nfs/dbraw/zinc/04/75/57/569047557.db2.gz BZEHRACWXNRZFJ-SNVBAGLBSA-N 0 0 407.293 3.170 50 0 HGAARN O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000012990251 569047571 /nfs/dbraw/zinc/04/75/71/569047571.db2.gz BZEHRACWXNRZFJ-JTQLQIEISA-N 0 0 407.293 3.170 50 0 HGAARN CCOc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc(Cl)c1OC ZINC000040087966 569048105 /nfs/dbraw/zinc/04/81/05/569048105.db2.gz CIIGBNMWFAOAKS-CMDGGOBGSA-N 0 0 424.906 3.307 50 0 HGAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000040119358 569048114 /nfs/dbraw/zinc/04/81/14/569048114.db2.gz BRNMUYUTPMOACZ-ZNQKSWCZSA-N 0 0 417.550 3.475 50 0 HGAARN CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)c2cccc3ccccc32)c1=O ZINC000013000056 569049144 /nfs/dbraw/zinc/04/91/44/569049144.db2.gz KWUHBXXKMKUVRX-INIZCTEOSA-N 0 0 401.466 3.214 50 0 HGAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000013002987 569049294 /nfs/dbraw/zinc/04/92/94/569049294.db2.gz JNNBLYQWZSLKPE-HXUWFJFHSA-N 0 0 416.880 3.445 50 0 HGAARN CC[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 ZINC000013003453 569049319 /nfs/dbraw/zinc/04/93/19/569049319.db2.gz DOKSGVIRDHQLGI-LBPRGKRZSA-N 0 0 411.321 3.020 50 0 HGAARN C[C@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)N1CCC(O)CC1 ZINC000013004559 569049552 /nfs/dbraw/zinc/04/95/52/569049552.db2.gz HPXYSSKTIMXCJF-AUUYWEPGSA-N 0 0 401.894 3.456 50 0 HGAARN CCS(=O)(=O)N1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000013006503 569049727 /nfs/dbraw/zinc/04/97/27/569049727.db2.gz XOHJUGSHQNZHNN-UHFFFAOYSA-N 0 0 400.544 3.139 50 0 HGAARN Cc1cccc(NC(=O)CN2CCN(C(=O)NCc3ccc(F)c(C)c3)CC2)c1C ZINC000013007567 569049762 /nfs/dbraw/zinc/04/97/62/569049762.db2.gz JGSFTVTWNZMTIF-UHFFFAOYSA-N 0 0 412.509 3.217 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1C ZINC000013008768 569049903 /nfs/dbraw/zinc/04/99/03/569049903.db2.gz IVMAUKAQVPLBJO-UHFFFAOYSA-N 0 0 406.573 3.125 50 0 HGAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000035684891 569049988 /nfs/dbraw/zinc/04/99/88/569049988.db2.gz PBWLXJDWDAFRCD-QGZVFWFLSA-N 0 0 419.441 3.138 50 0 HGAARN O=C(COc1ccc2ccccc2c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013018440 569051036 /nfs/dbraw/zinc/05/10/36/569051036.db2.gz APBRDMBKTXKRAE-OAQYLSRUSA-N 0 0 409.507 3.435 50 0 HGAARN O=C(NCc1ccccc1)C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000013020560 569051118 /nfs/dbraw/zinc/05/11/18/569051118.db2.gz NDVVVTFVPRBPMN-UHFFFAOYSA-N 0 0 417.303 3.323 50 0 HGAARN COc1cc([C@H](CC(=O)NCCc2ccccc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729156 569051533 /nfs/dbraw/zinc/05/15/33/569051533.db2.gz GQPKLOSZARYZDZ-SFHVURJKSA-N 0 0 423.465 3.249 50 0 biogenic HGAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cnn(C)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524729462 569051595 /nfs/dbraw/zinc/05/15/95/569051595.db2.gz UYDYBDNJSOWIQU-HXUWFJFHSA-N 0 0 403.486 3.231 50 0 biogenic HGAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CC3)c2)cc1 ZINC000035706194 569052679 /nfs/dbraw/zinc/05/26/79/569052679.db2.gz GHKOIBNTFNXLJH-UHFFFAOYSA-N 0 0 410.474 3.466 50 0 HGAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1(c2ccccc2)CC1 ZINC000026708340 569053253 /nfs/dbraw/zinc/05/32/53/569053253.db2.gz FMRSXPYTMNQCBU-UHFFFAOYSA-N 0 0 404.557 3.271 50 0 HGAARN COc1cc(Br)c(/C=C2/NC(=S)N(Cc3ccco3)C2=O)cc1O ZINC000105328144 569053608 /nfs/dbraw/zinc/05/36/08/569053608.db2.gz CSUVSLMWQDAGFE-LFYBBSHMSA-N 0 0 409.261 3.014 50 0 HGAARN CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@H](C(=O)Oc3ccc4ccccc4c3)[C@@H]2O1 ZINC000245225901 569055204 /nfs/dbraw/zinc/05/52/04/569055204.db2.gz ZDCHMLLJWMHZBP-NUABRCLCSA-N 0 0 400.427 3.142 50 0 biogenic HGAARN CCc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(C)cc4)N4CCC[C@@H]34)C2O)cc1 ZINC000245327350 569056001 /nfs/dbraw/zinc/05/60/01/569056001.db2.gz ONUBWOOSJJPPIG-MYGLTJDJSA-N 0 0 402.494 3.393 50 0 HGAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NCC1CCCCC1 ZINC000006465999 569057909 /nfs/dbraw/zinc/05/79/09/569057909.db2.gz PDPVSQDKDWZCJC-MRXNPFEDSA-N 0 0 418.509 3.306 50 0 HGAARN CN(C(=O)COc1ccccc1Cl)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000089335251 569058417 /nfs/dbraw/zinc/05/84/17/569058417.db2.gz ZSGHSAPCPXFDTG-AWEZNQCLSA-N 0 0 400.283 3.359 50 0 HGAARN COCc1ccc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)c3ccc(COC)cc3)C2)cc1 ZINC000089420323 569060121 /nfs/dbraw/zinc/06/01/21/569060121.db2.gz SLNPESNZYCNROB-QHCPKHFHSA-N 0 0 422.525 3.499 50 0 HGAARN COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)o1 ZINC000006498178 569061436 /nfs/dbraw/zinc/06/14/36/569061436.db2.gz SNJREOTTXODXNX-UHFFFAOYSA-N 0 0 410.455 3.398 50 0 HGAARN C[C@@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006500342 569061441 /nfs/dbraw/zinc/06/14/41/569061441.db2.gz CDKJRRMCQAWJKR-WLYUNCDWSA-N 0 0 410.536 3.057 50 0 HGAARN COc1cccc(C2=NN=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)SC2)c1 ZINC000089499654 569061506 /nfs/dbraw/zinc/06/15/06/569061506.db2.gz IGHMVVVWBCNAOP-UHFFFAOYSA-N 0 0 407.499 3.412 50 0 HGAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000006510244 569062095 /nfs/dbraw/zinc/06/20/95/569062095.db2.gz OYIKWFKNWBTIKQ-UHFFFAOYSA-N 0 0 403.287 3.261 50 0 HGAARN CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O ZINC000064438462 569062189 /nfs/dbraw/zinc/06/21/89/569062189.db2.gz HOWLHBFDQCPNAG-UHFFFAOYSA-N 0 0 411.477 3.046 50 0 HGAARN CCOC(=O)C1=C(N)Oc2c3cc(C)ccc3[nH]c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000017137997 569062874 /nfs/dbraw/zinc/06/28/74/569062874.db2.gz YKIHOXNZYJAXSL-QGZVFWFLSA-N 0 0 406.438 3.103 50 0 biogenic HGAARN CCCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)CC)CC2)n1)CCCC3 ZINC000035867847 569063314 /nfs/dbraw/zinc/06/33/14/569063314.db2.gz XWGIFOPXMUSOPU-UHFFFAOYSA-N 0 0 422.620 3.384 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CCCC(=O)Nc1ccc2c(c1)CN(C(=O)Cc1ccc(C)cc1)[C@@H](C(=O)N(C)C)C2 ZINC000065167064 569188888 /nfs/dbraw/zinc/18/88/88/569188888.db2.gz MTNWJACVULOTPU-JOCHJYFZSA-N 0 0 421.541 3.318 50 0 HGAARN Cc1cc(S(=O)(=O)N2CCc3nc(-c4ccc(F)cc4)ncc3C2)ccc1F ZINC000065169201 569189074 /nfs/dbraw/zinc/18/90/74/569189074.db2.gz BDRVBCDOESRCEG-UHFFFAOYSA-N 0 0 401.438 3.477 50 0 HGAARN CCN1CCn2c3ccc(C(=O)NCc4ccc(C(F)(F)F)cc4)cc3nc2C1=O ZINC000065172480 569189755 /nfs/dbraw/zinc/18/97/55/569189755.db2.gz CPHUGGHAAGKPKC-UHFFFAOYSA-N 0 0 416.403 3.461 50 0 HGAARN O=C(c1ccc(-c2ccnc(N3CCCCC3)n2)cc1)N1CCC2(CC1)OCCO2 ZINC000065171698 569190236 /nfs/dbraw/zinc/19/02/36/569190236.db2.gz OVXGTRCSPUDNCK-UHFFFAOYSA-N 0 0 408.502 3.113 50 0 biogenic HGAARN Cc1ccc(N2N=C(C(=O)NCc3ccco3)S(=O)(=O)c3cc(F)ccc32)cc1 ZINC000065183203 569190890 /nfs/dbraw/zinc/19/08/90/569190890.db2.gz LLDWAFIJDBTSAR-UHFFFAOYSA-N 0 0 413.430 3.282 50 0 HGAARN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000065183520 569190981 /nfs/dbraw/zinc/19/09/81/569190981.db2.gz MKHUREWOZNPJKS-UHFFFAOYSA-N 0 0 422.551 3.478 50 0 HGAARN Cc1ccc(N2N=C(C(=O)NCc3ccccc3C)S(=O)(=O)c3cccnc32)cc1 ZINC000065183467 569190982 /nfs/dbraw/zinc/19/09/82/569190982.db2.gz FDSWASSDXGMYOY-UHFFFAOYSA-N 0 0 420.494 3.254 50 0 HGAARN CCc1ccc(CNC(=O)CCn2ccn3nc(-c4ccccc4)cc3c2=O)cc1 ZINC000065184257 569191390 /nfs/dbraw/zinc/19/13/90/569191390.db2.gz CPXGLKSLSFPEJK-UHFFFAOYSA-N 0 0 400.482 3.432 50 0 HGAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCC1CCCCC1 ZINC000006974916 569192300 /nfs/dbraw/zinc/19/23/00/569192300.db2.gz LXBKSCKAIBZGRY-UHFFFAOYSA-N 0 0 405.498 3.179 50 0 HGAARN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)NCc2ccc(OC(C)C)cc2)o1 ZINC000065194163 569192636 /nfs/dbraw/zinc/19/26/36/569192636.db2.gz CCWTUQSMNOTHJF-UHFFFAOYSA-N 0 0 418.519 3.266 50 0 HGAARN CC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4cc(Cl)ccc4F)CC3=O)ccc21 ZINC000065195257 569194040 /nfs/dbraw/zinc/19/40/40/569194040.db2.gz XBAARQYRHCXVPH-AWEZNQCLSA-N 0 0 415.852 3.380 50 0 HGAARN O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195483 569194250 /nfs/dbraw/zinc/19/42/50/569194250.db2.gz CFVNCIMYUXEVKY-INIZCTEOSA-N 0 0 407.445 3.116 50 0 HGAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)c1 ZINC000065195566 569194393 /nfs/dbraw/zinc/19/43/93/569194393.db2.gz LNNDXJKTVVAFHB-GOSISDBHSA-N 0 0 403.482 3.286 50 0 HGAARN COc1ccc(-c2nc(C)cc3nn(CC(=O)Nc4cccc(C)c4C)c(=O)n32)cc1 ZINC000065196497 569194723 /nfs/dbraw/zinc/19/47/23/569194723.db2.gz CODFRUAGXMJMJI-UHFFFAOYSA-N 0 0 417.469 3.131 50 0 HGAARN O=C(N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1)c1ccc(F)cc1 ZINC000065209366 569195590 /nfs/dbraw/zinc/19/55/90/569195590.db2.gz MPOFPEDGCHYECR-GOSISDBHSA-N 0 0 412.490 3.476 50 0 HGAARN O=C(N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1)c1ccccc1F ZINC000065209364 569195597 /nfs/dbraw/zinc/19/55/97/569195597.db2.gz AXXXQBIFUCRIMR-GOSISDBHSA-N 0 0 412.490 3.476 50 0 HGAARN CCCCNc1nnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 ZINC000006981047 569195607 /nfs/dbraw/zinc/19/56/07/569195607.db2.gz ZXBXVXPBMRLYAM-LLVKDONJSA-N 0 0 414.578 3.485 50 0 HGAARN O=C(c1ccc2c(c1)CC(=O)N2Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000065210767 569196200 /nfs/dbraw/zinc/19/62/00/569196200.db2.gz WIVWLPDQOLGBHP-UHFFFAOYSA-N 0 0 412.493 3.133 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)c1csc(N2CCN(c3ccccc3)CC2)n1 ZINC000065211489 569196456 /nfs/dbraw/zinc/19/64/56/569196456.db2.gz RZQUNTMKDWXXGO-UHFFFAOYSA-N 0 0 422.510 3.128 50 0 HGAARN COc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1S(N)(=O)=O ZINC000006999569 569196830 /nfs/dbraw/zinc/19/68/30/569196830.db2.gz ASJQZWPYZGUDQD-UHFFFAOYSA-N 0 0 420.531 3.438 50 0 HGAARN COc1ccccc1-n1c(S[C@H](C)C(=O)NC(C)C)nnc1N1CCCCC1 ZINC000006994222 569197001 /nfs/dbraw/zinc/19/70/01/569197001.db2.gz OLHNSNANEURIEP-OAHLLOKOSA-N 0 0 403.552 3.271 50 0 HGAARN COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCCCCC3)c2=O)cc1 ZINC000065212358 569197361 /nfs/dbraw/zinc/19/73/61/569197361.db2.gz RQVSCPVSEIJSAH-UHFFFAOYSA-N 0 0 412.490 3.212 50 0 HGAARN COc1ccc(CNC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)c(OC)c1 ZINC000065214676 569197528 /nfs/dbraw/zinc/19/75/28/569197528.db2.gz LBDJHSBPRZNTEK-UHFFFAOYSA-N 0 0 404.426 3.161 50 0 HGAARN CCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000036550278 569199128 /nfs/dbraw/zinc/19/91/28/569199128.db2.gz SFAJBHFFAZTTBJ-RTWAWAEBSA-N 0 0 411.571 3.140 50 0 HGAARN CN(C)c1ncncc1N1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000065226223 569199720 /nfs/dbraw/zinc/19/97/20/569199720.db2.gz FECAEVDEPCNNJA-UHFFFAOYSA-N 0 0 407.440 3.094 50 0 HGAARN COc1ccccc1CNC(=O)C1CCN(c2cncnc2N2CCCCC2)CC1 ZINC000065226452 569199816 /nfs/dbraw/zinc/19/98/16/569199816.db2.gz IPDOFYJSJVGRRW-UHFFFAOYSA-N 0 0 409.534 3.008 50 0 HGAARN COC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)c1 ZINC000065227231 569200237 /nfs/dbraw/zinc/20/02/37/569200237.db2.gz XAGUBFDQDCRAMJ-KRWDZBQOSA-N 0 0 419.485 3.283 50 0 HGAARN Cc1cc(N2CC[C@@H](NS(=O)(=O)Cc3c(F)cccc3Cl)C2=O)ccc1F ZINC000065229345 569200409 /nfs/dbraw/zinc/20/04/09/569200409.db2.gz UXNWQVRXEUCILW-QGZVFWFLSA-N 0 0 414.861 3.152 50 0 HGAARN COc1ccc(CC(=O)Nc2cnn(-c3ncc(N4CCCC4)cn3)c2)c(Cl)c1 ZINC000065231787 569201178 /nfs/dbraw/zinc/20/11/78/569201178.db2.gz YFPMMBDHFVRATI-UHFFFAOYSA-N 0 0 412.881 3.106 50 0 HGAARN CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000065233279 569202229 /nfs/dbraw/zinc/20/22/29/569202229.db2.gz YRZJDEGAHOVXRE-UHFFFAOYSA-N 0 0 405.832 3.430 50 0 HGAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)c1ccc(F)cc1N2C ZINC000065235414 569202310 /nfs/dbraw/zinc/20/23/10/569202310.db2.gz KEYAYNUZXFREEG-UHFFFAOYSA-N 0 0 412.465 3.428 50 0 biogenic HGAARN CCN1c2ccc(F)cc2C(=O)NC12CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000065235213 569202318 /nfs/dbraw/zinc/20/23/18/569202318.db2.gz PABKWECSJZJFCD-UHFFFAOYSA-N 0 0 403.404 3.306 50 0 HGAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000036614777 569206742 /nfs/dbraw/zinc/20/67/42/569206742.db2.gz CIYZPWMOOQTYES-UHFFFAOYSA-N 0 0 404.870 3.059 50 0 HGAARN C=C1C(N2CCC(NC(=O)c3cccs3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239117 569203096 /nfs/dbraw/zinc/20/30/96/569203096.db2.gz TYXSASLKBYDSJX-UHFFFAOYSA-N 0 0 415.540 3.115 50 0 HGAARN C=C1C(N2CCC(NC(=O)[C@H](C)CCC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239153 569203110 /nfs/dbraw/zinc/20/31/10/569203110.db2.gz YROYQLVMNPNOHC-CQSZACIVSA-N 0 0 421.538 3.315 50 0 HGAARN C=C1C(N2CCCN(C(=O)c3ccsc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239297 569203224 /nfs/dbraw/zinc/20/32/24/569203224.db2.gz IULJADIBUARPPM-UHFFFAOYSA-N 0 0 415.540 3.069 50 0 HGAARN C=C1C(N2CCC(NC(=O)C3CCC3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239217 569203247 /nfs/dbraw/zinc/20/32/47/569203247.db2.gz BWSNQEPTXMIPEP-UHFFFAOYSA-N 0 0 421.950 3.194 50 0 HGAARN C=C1C(N2CCCN(C(=O)CC(C)C)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239473 569203356 /nfs/dbraw/zinc/20/33/56/569203356.db2.gz GWRZQGQRVTWWQE-UHFFFAOYSA-N 0 0 423.966 3.393 50 0 HGAARN C=C1C(N2CCCN(C(=O)C3CCC3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239479 569203360 /nfs/dbraw/zinc/20/33/60/569203360.db2.gz ZRIUXVIIIGKVHA-UHFFFAOYSA-N 0 0 421.950 3.147 50 0 HGAARN C=C1C(N2CCCN(C(=O)C[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239394 569203401 /nfs/dbraw/zinc/20/34/01/569203401.db2.gz KPMVVHGMWBUEFB-HNNXBMFYSA-N 0 0 421.538 3.269 50 0 HGAARN COc1cccc(C(=O)N2CCN(c3ccc(-c4nc(C)cs4)cn3)CC2)c1OC ZINC000065240708 569203857 /nfs/dbraw/zinc/20/38/57/569203857.db2.gz SICWCBJYFXVTAW-UHFFFAOYSA-N 0 0 424.526 3.493 50 0 HGAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1 ZINC000036593887 569204393 /nfs/dbraw/zinc/20/43/93/569204393.db2.gz VGYTZWTZRHEZAQ-SJLPKXTDSA-N 0 0 404.898 3.308 50 0 HGAARN CC(C)c1nnc(-c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)o2)o1 ZINC000065246293 569205562 /nfs/dbraw/zinc/20/55/62/569205562.db2.gz BFHQKOSUMNITQF-UHFFFAOYSA-N 0 0 408.524 3.092 50 0 HGAARN Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)CC1 ZINC000065246381 569205567 /nfs/dbraw/zinc/20/55/67/569205567.db2.gz ZTZINDWGPXGESA-UHFFFAOYSA-N 0 0 414.487 3.026 50 0 HGAARN COc1ccc2c(c1)[C@@]1(CCN(C(=O)c3ccccc3Br)C1)C(=O)N2 ZINC000065248928 569205750 /nfs/dbraw/zinc/20/57/50/569205750.db2.gz LYTLSIRWPPIKES-IBGZPJMESA-N 0 0 401.260 3.194 50 0 biogenic HGAARN COc1ccc2c(c1)[C@]1(CCN(C(=O)Cc3ccc(OC)cc3Cl)C1)C(=O)N2 ZINC000065248965 569205763 /nfs/dbraw/zinc/20/57/63/569205763.db2.gz CGPXSHCMTSXMPU-OAQYLSRUSA-N 0 0 400.862 3.022 50 0 biogenic HGAARN CCCCn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2cccnc21 ZINC000065242337 569205787 /nfs/dbraw/zinc/20/57/87/569205787.db2.gz KUPFVJLOGWLDBO-UHFFFAOYSA-N 0 0 416.522 3.486 50 0 HGAARN COc1ccc2c(c1)[C@]1(CCN(C(=O)c3cccc(Br)c3)C1)C(=O)N2 ZINC000065248961 569205789 /nfs/dbraw/zinc/20/57/89/569205789.db2.gz YPNNJAYHKQLGRT-LJQANCHMSA-N 0 0 401.260 3.194 50 0 biogenic HGAARN COc1ccc2c(c1)[C@]1(CCN(C(=O)c3cccc(Br)c3)C1)C(=O)N2C ZINC000065249386 569205881 /nfs/dbraw/zinc/20/58/81/569205881.db2.gz YSXKJDJXBGFZOD-HXUWFJFHSA-N 0 0 415.287 3.218 50 0 biogenic HGAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(Cl)cc4)c3)c2)n1 ZINC000065250916 569206426 /nfs/dbraw/zinc/20/64/26/569206426.db2.gz JBLXDNCGJHBPBB-UHFFFAOYSA-N 0 0 408.849 3.463 50 0 HGAARN Cc1c(C(=O)NCc2cccs2)cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 ZINC000065251307 569206621 /nfs/dbraw/zinc/20/66/21/569206621.db2.gz HFKFEKCMZBMCLZ-UHFFFAOYSA-N 0 0 406.471 3.495 50 0 HGAARN COc1ccc(C)cc1NC(=O)Cc1nnc2cc(-c3nc(C(C)C)no3)ccn21 ZINC000065254535 569207230 /nfs/dbraw/zinc/20/72/30/569207230.db2.gz LJQUDKALRPQKDV-UHFFFAOYSA-N 0 0 406.446 3.401 50 0 HGAARN COCCCn1c2nc(-c3ccccc3F)cc(C(=O)OC)c2c(=O)[nH]c1=S ZINC000036617222 569208042 /nfs/dbraw/zinc/20/80/42/569208042.db2.gz CATJESUYCZBFNM-UHFFFAOYSA-N 0 0 403.435 3.083 50 0 HGAARN CCn1ccc(-c2cc(C(=O)Nc3cnn(CC(F)F)c3)c3c(C)noc3n2)n1 ZINC000036617977 569209766 /nfs/dbraw/zinc/20/97/66/569209766.db2.gz HAGRCKZOHBNSMF-UHFFFAOYSA-N 0 0 401.377 3.129 50 0 HGAARN CCn1ccc(-c2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)c3c(C)noc3n2)n1 ZINC000036617974 569209769 /nfs/dbraw/zinc/20/97/69/569209769.db2.gz YUGQICDPMDJDEA-CYBMUJFWSA-N 0 0 407.478 3.046 50 0 HGAARN Fc1ccc(-c2noc(-c3nnc(NCCN4CCOCC4)c4ccccc43)n2)cc1 ZINC000065258328 569210178 /nfs/dbraw/zinc/21/01/78/569210178.db2.gz VNWAYXMUJIMDEJ-UHFFFAOYSA-N 0 0 420.448 3.230 50 0 HGAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)c1 ZINC000013124057 569211217 /nfs/dbraw/zinc/21/12/17/569211217.db2.gz URNPSFADKPRTEG-UAGQMJEPSA-N 0 0 424.423 3.461 50 0 HGAARN CCc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013137135 569211486 /nfs/dbraw/zinc/21/14/86/569211486.db2.gz QOOFXIOFYYQTKI-UHFFFAOYSA-N 0 0 414.483 3.338 50 0 HGAARN COC(=O)C[C@@H](c1ccco1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O ZINC000524731863 569212419 /nfs/dbraw/zinc/21/24/19/569212419.db2.gz MVEBLBOJZXTKFF-SFHVURJKSA-N 0 0 409.438 3.192 50 0 biogenic HGAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)N1CCc3ccccc3C1)C=C2 ZINC000524732211 569212588 /nfs/dbraw/zinc/21/25/88/569212588.db2.gz LGZDIPDFFFKQCK-UHFFFAOYSA-N 0 0 406.482 3.034 50 0 biogenic HGAARN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(Cl)c1 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CC(=O)Nc1nc2ccc(NC(=O)[C@H](C)N3C(=O)COc4ccccc43)cc2s1 ZINC000021883055 132473925 /nfs/dbraw/zinc/47/39/25/132473925.db2.gz UQCFHZSXMOEMSB-NSHDSACASA-N 0 0 410.455 3.007 50 0 HGAARN O=C(CN1CCN(c2ccccn2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000023873236 132482324 /nfs/dbraw/zinc/48/23/24/132482324.db2.gz QGFNGLBBADOKKQ-UHFFFAOYSA-N 0 0 421.570 3.220 50 0 HGAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000024191319 132482939 /nfs/dbraw/zinc/48/29/39/132482939.db2.gz NOTNTPCVXOFCNU-QFIPXVFZSA-N 0 0 410.514 3.353 50 0 HGAARN O=C(Cn1c(=O)c2ccccc2nc1N1CCCCC1)NCc1cccc(Cl)c1 ZINC000033308560 132786317 /nfs/dbraw/zinc/78/63/17/132786317.db2.gz RAMAPQQCPSVPKU-UHFFFAOYSA-N 0 0 410.905 3.357 50 0 HGAARN CC(C)(C)OC(=O)[C@H]1C[C@H](CNC(=O)c2csc(Cc3ccccc3)n2)[C@@H](O)C1 ZINC000225743005 518858594 /nfs/dbraw/zinc/85/85/94/518858594.db2.gz UGIIRTNJNHQASJ-JZXOWHBKSA-N 0 0 416.543 3.193 50 0 HGAARN CC(C)(C)c1ccc(/C=C/C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032909306 519011858 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CCCn1c(CCC(=O)N[C@H](C)CCCC(C)C)nc2cc(S(N)(=O)=O)ccc21 ZINC000025345110 521628016 /nfs/dbraw/zinc/62/80/16/521628016.db2.gz KEQRJEUVEBCILC-MRXNPFEDSA-N 0 0 422.595 3.357 50 0 HGAARN CCCn1ccnc1SCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032801636 521663137 /nfs/dbraw/zinc/66/31/37/521663137.db2.gz ZJFOBYOMEAUZGQ-UHFFFAOYSA-N 0 0 407.561 3.443 50 0 HGAARN CO[C@]1(C)NC(=S)N[C@H](c2ccc(OC(F)F)cc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000020551644 521767558 /nfs/dbraw/zinc/76/75/58/521767558.db2.gz PQZNVBQHTQSSSF-QINHECLXSA-N 0 0 421.469 3.424 50 0 HGAARN COC(=O)c1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1 ZINC000225755408 521958790 /nfs/dbraw/zinc/95/87/90/521958790.db2.gz ALEXSZMOFKRTSQ-UHFFFAOYSA-N 0 0 410.499 3.324 50 0 HGAARN CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl ZINC000043728861 522018282 /nfs/dbraw/zinc/01/82/82/522018282.db2.gz NQXFGMRKTUGEPS-BEFAXECRSA-N 0 0 403.910 3.204 50 0 HGAARN COC(=O)c1ccc(CNC(=O)[C@H](C)Sc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000032878915 522026396 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405.491 3.444 50 0 HGAARN CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000004289730 557536289 /nfs/dbraw/zinc/53/62/89/557536289.db2.gz LLSFCGMIKIFDTB-UHFFFAOYSA-N 0 0 410.561 3.439 50 0 HGAARN CSCc1nc2ccccc2n1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000010556489 557540929 /nfs/dbraw/zinc/54/09/29/557540929.db2.gz NNQPLNRVCNSZIC-UHFFFAOYSA-N 0 0 422.554 3.320 50 0 HGAARN CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(C)c3cc(OC)c(OC)cc3CCN12 ZINC000004335009 557543277 /nfs/dbraw/zinc/54/32/77/557543277.db2.gz DZRBWZRPOBOKKY-QHCPKHFHSA-N 0 0 409.486 3.440 50 0 HGAARN CCOC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(OCC)cc2Cl)CC1 ZINC000004384889 557549672 /nfs/dbraw/zinc/54/96/72/557549672.db2.gz XDEAKVVQKQOAQV-UHFFFAOYSA-N 0 0 410.319 3.356 50 0 HGAARN COc1ccc(Cc2nnc(NC(=O)c3ccc(NC(C)=O)cc3)s2)cc1OC ZINC000004460439 557556211 /nfs/dbraw/zinc/55/62/11/557556211.db2.gz MXVFDDQBBHGKPT-UHFFFAOYSA-N 0 0 412.471 3.357 50 0 biogenic HGAARN CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O ZINC000004512518 557562027 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O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccc(Br)cn1 ZINC000004746816 557592037 /nfs/dbraw/zinc/59/20/37/557592037.db2.gz YQBAQINFVQVASX-UHFFFAOYSA-N 0 0 407.249 3.331 50 0 HGAARN Cc1nc2sc3c(c2c(=O)n1NC(=O)c1cc2ccccc2oc1=O)CCCC3 ZINC000004750402 557592841 /nfs/dbraw/zinc/59/28/41/557592841.db2.gz OHAMUBYMUSIFLV-UHFFFAOYSA-N 0 0 407.451 3.136 50 0 HGAARN CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)s1 ZINC000004750604 557592871 /nfs/dbraw/zinc/59/28/71/557592871.db2.gz IAOQMMGVANPMBA-UHFFFAOYSA-N 0 0 404.966 3.172 50 0 HGAARN COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)s2)cc1 ZINC000004783492 557597565 /nfs/dbraw/zinc/59/75/65/557597565.db2.gz OVCCTTRCNRHXEE-HNNXBMFYSA-N 0 0 414.531 3.257 50 0 HGAARN CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1cc(Cl)c(Cl)cc1Cl ZINC000004820928 557602863 /nfs/dbraw/zinc/60/28/63/557602863.db2.gz XDEMYCAAZXRTRI-UHFFFAOYSA-N 0 0 408.694 3.447 50 0 HGAARN CCN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000004839668 557605002 /nfs/dbraw/zinc/60/50/02/557605002.db2.gz 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Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCO ZINC000206598168 560572905 /nfs/dbraw/zinc/57/29/05/560572905.db2.gz HFLGIAROIUGTPN-UHFFFAOYSA-N 0 0 409.920 3.143 50 0 HGAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000005373401 560574354 /nfs/dbraw/zinc/57/43/54/560574354.db2.gz IBROYXCNLSJLFD-UHFFFAOYSA-N 0 0 402.472 3.231 50 0 HGAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc(OC(F)F)c2)n1 ZINC000005398375 560581382 /nfs/dbraw/zinc/58/13/82/560581382.db2.gz LWEQQKQVZUYMGF-UHFFFAOYSA-N 0 0 401.373 3.464 50 0 HGAARN COC(=O)c1ccc(NC(=O)Cn2nc(-c3cccc4ccccc43)ccc2=O)cc1 ZINC000005399755 560583348 /nfs/dbraw/zinc/58/33/48/560583348.db2.gz CRQBPYVLLPSESJ-UHFFFAOYSA-N 0 0 413.433 3.489 50 0 HGAARN COc1ccc(OC)c(NC(=O)Cn2nc(-c3cc(C)c(C)cc3C)ccc2=O)c1 ZINC000005410351 560583866 /nfs/dbraw/zinc/58/38/66/560583866.db2.gz NTYCYIVDIIPHKR-UHFFFAOYSA-N 0 0 407.470 3.491 50 0 HGAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)n2N)cc1 ZINC000003345228 560593786 /nfs/dbraw/zinc/59/37/86/560593786.db2.gz MDNFEIXUOFORNA-UHFFFAOYSA-N 0 0 405.430 3.300 50 0 HGAARN COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000003464485 560595530 /nfs/dbraw/zinc/59/55/30/560595530.db2.gz VGURFWFPJORNPK-NRFANRHFSA-N 0 0 418.396 3.466 50 0 HGAARN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCn2c3ccccc3nc21 ZINC000005488949 560597802 /nfs/dbraw/zinc/59/78/02/560597802.db2.gz NKXOEALOSHRFHV-LPHOPBHVSA-N 0 0 405.502 3.092 50 0 HGAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000005506025 560598936 /nfs/dbraw/zinc/59/89/36/560598936.db2.gz KYAAXZPXGXRKKK-HLIPFELVSA-N 0 0 404.507 3.270 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccc(OC)cc2)c1 ZINC000005512749 560602244 /nfs/dbraw/zinc/60/22/44/560602244.db2.gz QVRBUQCXYYDVOQ-UHFFFAOYSA-N 0 0 420.531 3.306 50 0 HGAARN COc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 ZINC000005558969 560614910 /nfs/dbraw/zinc/61/49/10/560614910.db2.gz JCVSYWFXBGHWIT-UHFFFAOYSA-N 0 0 404.488 3.131 50 0 HGAARN O=C(Nc1nc2ccc(F)cc2s1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000005559128 560627657 /nfs/dbraw/zinc/62/76/57/560627657.db2.gz AZUAMHABOSUATO-UHFFFAOYSA-N 0 0 405.476 3.472 50 0 HGAARN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCC(n2cncn2)CC1 ZINC000062580523 560631418 /nfs/dbraw/zinc/63/14/18/560631418.db2.gz KIRKPYSMXWKSFF-UHFFFAOYSA-N 0 0 405.487 3.065 50 0 HGAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000005628930 560634851 /nfs/dbraw/zinc/63/48/51/560634851.db2.gz HAKYULJTAYVYLE-UHFFFAOYSA-N 0 0 407.426 3.151 50 0 HGAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1 ZINC000005630201 560634954 /nfs/dbraw/zinc/63/49/54/560634954.db2.gz OSTNAJHZICKBRO-GUYCJALGSA-N 0 0 403.866 3.318 50 0 HGAARN C[C@H]1Sc2ccc(C(=O)OCC(=O)NCc3cccc(Cl)c3)cc2NC1=O ZINC000008713428 560637642 /nfs/dbraw/zinc/63/76/42/560637642.db2.gz NKCKZPNNAICBFO-LLVKDONJSA-N 0 0 404.875 3.246 50 0 HGAARN CC(C)N(C(=O)CSc1nc(N)nc(N)n1)c1ccc(Nc2ccccc2)cc1 ZINC000008710722 560637686 /nfs/dbraw/zinc/63/76/86/560637686.db2.gz WQMVRJFFRAIYJT-UHFFFAOYSA-N 0 0 409.519 3.313 50 0 HGAARN CCCn1c2ccccc2n(CC(=O)OCC(=O)Nc2ccc(F)cc2Cl)c1=O ZINC000017246088 560705598 /nfs/dbraw/zinc/70/55/98/560705598.db2.gz GBKZNEOMJUYWNW-UHFFFAOYSA-N 0 0 419.840 3.187 50 0 HGAARN CS(=O)(=O)NCCc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000017261993 560706499 /nfs/dbraw/zinc/70/64/99/560706499.db2.gz RXINYGUFBVTRNV-UHFFFAOYSA-N 0 0 401.406 3.154 50 0 HGAARN CCOc1ccc(CC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1 ZINC000017307634 560707722 /nfs/dbraw/zinc/70/77/22/560707722.db2.gz XJTWVLMHKCDXSO-UHFFFAOYSA-N 0 0 411.483 3.127 50 0 HGAARN CNC(=O)c1ccc(NC(=O)CN2CCc3cc(-c4csc(C)n4)ccc32)cc1 ZINC000017524757 560718058 /nfs/dbraw/zinc/71/80/58/560718058.db2.gz RRAPLWBYDAFWBK-UHFFFAOYSA-N 0 0 406.511 3.479 50 0 HGAARN CC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3Cl)c(O)c12 ZINC000017782464 560728188 /nfs/dbraw/zinc/72/81/88/560728188.db2.gz KAXLLGBUNXXNSL-DOTOQJQBSA-N 0 0 402.237 3.317 50 0 HGAARN CN(Cc1ccco1)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000017790645 560728338 /nfs/dbraw/zinc/72/83/38/560728338.db2.gz NKOOJOHUNWBWPV-UHFFFAOYSA-N 0 0 420.512 3.204 50 0 HGAARN Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)n2C)n1 ZINC000004736390 560736255 /nfs/dbraw/zinc/73/62/55/560736255.db2.gz DTXNFNFWMUVIIB-JTQLQIEISA-N 0 0 403.489 3.095 50 0 HGAARN O=C(NCCn1ccn2nc(-c3ccco3)cc12)C1(c2ccccc2)CCOCC1 ZINC000206750416 560741565 /nfs/dbraw/zinc/74/15/65/560741565.db2.gz UGLIUWRUVPPZKK-UHFFFAOYSA-N 0 0 404.470 3.260 50 0 HGAARN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(Br)o1 ZINC000206788508 560747494 /nfs/dbraw/zinc/74/74/94/560747494.db2.gz ZUZUMQMRKAIHPK-SNVBAGLBSA-N 0 0 404.186 3.465 50 0 HGAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(Br)o1 ZINC000206801891 560748409 /nfs/dbraw/zinc/74/84/09/560748409.db2.gz UPPWLHWSXHLQRI-CMPLNLGQSA-N 0 0 412.211 3.016 50 0 HGAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000206800684 560748427 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CCc1nc(-c2c(=O)n(Cc3cccc(C(F)(F)F)c3)c(=O)n3c2CCCC3)no1 ZINC000169763850 560765823 /nfs/dbraw/zinc/76/58/23/560765823.db2.gz VJZYYLUFHKNHSU-UHFFFAOYSA-N 0 0 420.391 3.026 50 0 HGAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3sccc3C)CC2)cc1 ZINC000169770600 560766076 /nfs/dbraw/zinc/76/60/76/560766076.db2.gz XGOYGSSDYIOVHR-UHFFFAOYSA-N 0 0 412.515 3.018 50 0 HGAARN Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1F ZINC000169770375 560766098 /nfs/dbraw/zinc/76/60/98/560766098.db2.gz JPRVTCDYILSVFP-UHFFFAOYSA-N 0 0 412.440 3.226 50 0 HGAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000169770696 560766196 /nfs/dbraw/zinc/76/61/96/560766196.db2.gz LSUWARKHGVIHEG-UHFFFAOYSA-N 0 0 420.513 3.265 50 0 HGAARN CCOC(=O)Cn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccccc1F ZINC000101035730 560766862 /nfs/dbraw/zinc/76/68/62/560766862.db2.gz XEIMXTRUODXWDX-XDOYNYLZSA-N 0 0 418.446 3.163 50 0 HGAARN CCOCCn1c2c(cccc2F)s/c1=N\C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000101042148 560767000 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O=C(NCCn1ncc2c1ncnc2N1CCCCCC1)c1cc2ccccc2o1 ZINC000011666041 560773226 /nfs/dbraw/zinc/77/32/26/560773226.db2.gz GTTBSIPQOXASRA-UHFFFAOYSA-N 0 0 404.474 3.383 50 0 HGAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccc5c(c4)OCO5)c3)cn2n1 ZINC000011693429 560773661 /nfs/dbraw/zinc/77/36/61/560773661.db2.gz GNVMTNKJLYAVQG-UHFFFAOYSA-N 0 0 418.409 3.395 50 0 HGAARN Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000011694081 560773881 /nfs/dbraw/zinc/77/38/81/560773881.db2.gz YKSILQQHGOJYNV-UHFFFAOYSA-N 0 0 411.889 3.375 50 0 HGAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000018067355 560774584 /nfs/dbraw/zinc/77/45/84/560774584.db2.gz CXRDSAMNKYXIPS-OKILXGFUSA-N 0 0 413.499 3.188 50 0 HGAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018080716 560774927 /nfs/dbraw/zinc/77/49/27/560774927.db2.gz YIFZLVJVNUFRDQ-ZACQAIPSSA-N 0 0 414.527 3.076 50 0 HGAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1c[nH]c2ccccc12 ZINC000018094576 560775396 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Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000020930709 568651789 /nfs/dbraw/zinc/65/17/89/568651789.db2.gz PJEWDIQQCDRKPT-CYBMUJFWSA-N 0 0 404.513 3.230 50 0 HGAARN O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)N1CCC2(CC1)OCCO2 ZINC000020936072 568652310 /nfs/dbraw/zinc/65/23/10/568652310.db2.gz HOPAZDFCNCRJFC-SFHVURJKSA-N 0 0 412.511 3.201 50 0 HGAARN CCOc1ccccc1CNC(=O)c1ccc(CN2c3cc(C)nn3CCC2=O)cc1 ZINC000020938364 568652624 /nfs/dbraw/zinc/65/26/24/568652624.db2.gz KQINDNCUWNZIPB-UHFFFAOYSA-N 0 0 418.497 3.457 50 0 HGAARN COc1ccccc1CNC(=O)c1ccc(CN2c3cc(C)nn3CCC2=O)cc1 ZINC000020938287 568652714 /nfs/dbraw/zinc/65/27/14/568652714.db2.gz YMHPQYSDUOMFKY-UHFFFAOYSA-N 0 0 404.470 3.067 50 0 HGAARN COc1ccc(CCNS(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1OC ZINC000020978332 568654204 /nfs/dbraw/zinc/65/42/04/568654204.db2.gz MIMPKTZRVGHDAJ-UHFFFAOYSA-N 0 0 408.501 3.250 50 0 HGAARN Cc1cn2c(nc(CSc3nnc(NC(=O)c4ccco4)s3)cc2=O)s1 ZINC000020984367 568654790 /nfs/dbraw/zinc/65/47/90/568654790.db2.gz 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O=C1NCCN(Cc2c(F)cccc2Br)[C@H]1Cc1nc2ccccc2o1 ZINC000225666050 568662081 /nfs/dbraw/zinc/66/20/81/568662081.db2.gz IWBCZZRCTRUDJY-INIZCTEOSA-N 0 0 418.266 3.273 50 0 HGAARN CCOc1ccccc1N1C[C@@H](C(=O)NCCc2cccc3cccnc32)CC1=O ZINC000095947320 568664829 /nfs/dbraw/zinc/66/48/29/568664829.db2.gz HQQHPBWFSFLJPO-IBGZPJMESA-N 0 0 403.482 3.345 50 0 HGAARN C[C@@H]1CN(C(=O)c2nc(Br)sc2C2CC2)CCN1CC(F)(F)F ZINC000225707515 568666385 /nfs/dbraw/zinc/66/63/85/568666385.db2.gz OOBVIZDBTBXFFL-MRVPVSSYSA-N 0 0 412.275 3.492 50 0 HGAARN Cc1nc(C)c([C@@H](C)NC(=O)C(=O)Nc2cc3c(cc2Cl)OCCCO3)s1 ZINC000095954155 568668437 /nfs/dbraw/zinc/66/84/37/568668437.db2.gz HZUBBZJVOSECIH-SNVBAGLBSA-N 0 0 409.895 3.391 50 0 HGAARN COc1ccc(C)cc1NC(=O)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000096309513 568673914 /nfs/dbraw/zinc/67/39/14/568673914.db2.gz OQEHBYUTYURABU-KRWDZBQOSA-N 0 0 406.548 3.317 50 0 HGAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)N[C@H]1c2ccccc2C[C@H]1O ZINC000095996437 568679186 /nfs/dbraw/zinc/67/91/86/568679186.db2.gz AUPMBKFYZOEWIO-RTWAWAEBSA-N 0 0 423.494 3.267 50 0 HGAARN CNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nc1 ZINC000096006653 568682874 /nfs/dbraw/zinc/68/28/74/568682874.db2.gz YWZPQTUZVBJFSU-LJQANCHMSA-N 0 0 413.524 3.462 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2Cc3ccccc3OC[C@@H]2C)c1 ZINC000096007833 568683261 /nfs/dbraw/zinc/68/32/61/568683261.db2.gz UJGMVXHIEJZEGQ-KRWDZBQOSA-N 0 0 416.543 3.449 50 0 HGAARN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCc1ccnc(NC2CC2)c1 ZINC000096013197 568685107 /nfs/dbraw/zinc/68/51/07/568685107.db2.gz IHANXVVBPOJYBN-UHFFFAOYSA-N 0 0 409.490 3.222 50 0 HGAARN O=C(CCNC(=O)c1ccc(F)cc1F)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000096013945 568685437 /nfs/dbraw/zinc/68/54/37/568685437.db2.gz PAANAIMLHGSJTM-VQIMIIECSA-N 0 0 406.404 3.260 50 0 HGAARN O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccccc3)n[nH]1)CC2)C1CCC1 ZINC000096024326 568685924 /nfs/dbraw/zinc/68/59/24/568685924.db2.gz AEISRVCRJGWEMZ-UHFFFAOYSA-N 0 0 407.499 3.470 50 0 HGAARN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000096035288 568687077 /nfs/dbraw/zinc/68/70/77/568687077.db2.gz ICFAUZYDBKKJKE-CLTKARDFSA-N 0 0 421.902 3.350 50 0 HGAARN O=C(Nc1ccc2c(c1)CCC2)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1cccs1)C2 ZINC000096095769 568688565 /nfs/dbraw/zinc/68/85/65/568688565.db2.gz JARILSLOGQKOOM-JEBQAFNWSA-N 0 0 417.556 3.210 50 0 HGAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1nc2ccccc2s1 ZINC000096096642 568689131 /nfs/dbraw/zinc/68/91/31/568689131.db2.gz FYIWVYJGRRTBJO-UHFFFAOYSA-N 0 0 411.512 3.148 50 0 HGAARN COCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021364799 568690568 /nfs/dbraw/zinc/69/05/68/568690568.db2.gz GEFPZYJSTIALGF-HSZRJFAPSA-N 0 0 413.518 3.448 50 0 HGAARN COc1ccccc1C(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000012389339 568691340 /nfs/dbraw/zinc/69/13/40/568691340.db2.gz PKUFDIDDPIBLNL-UHFFFAOYSA-N 0 0 405.498 3.484 50 0 HGAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4ccc(F)c(F)c4)CC3)C2=O)cc1 ZINC000096105356 568692519 /nfs/dbraw/zinc/69/25/19/568692519.db2.gz MYUXCLSZMGMECD-UHFFFAOYSA-N 0 0 413.424 3.000 50 0 HGAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2Cl)C3=O)cc1 ZINC000096105322 568692589 /nfs/dbraw/zinc/69/25/89/568692589.db2.gz MFGWWCKIJXVMKJ-UHFFFAOYSA-N 0 0 411.889 3.375 50 0 HGAARN Cc1ccc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)c1 ZINC000096105392 568692879 /nfs/dbraw/zinc/69/28/79/568692879.db2.gz OSYDVQQWEQEPMS-UHFFFAOYSA-N 0 0 409.461 3.169 50 0 HGAARN COCc1nn2cc(C(=O)c3ccc(OC)c(OC)c3)nnc2c1-c1ccccc1 ZINC000226075543 568693058 /nfs/dbraw/zinc/69/30/58/568693058.db2.gz ZRHPERDBWCJBRJ-UHFFFAOYSA-N 0 0 404.426 3.186 50 0 HGAARN O=C(c1cccc2[nH]ccc21)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000096105663 568693160 /nfs/dbraw/zinc/69/31/60/568693160.db2.gz LPXMDBNQRORVCZ-UHFFFAOYSA-N 0 0 420.444 3.034 50 0 HGAARN C[C@H](OC(=O)/C=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000096113606 568693162 /nfs/dbraw/zinc/69/31/62/568693162.db2.gz GRLMOSWJSOEEQF-MCWZUMHDSA-N 0 0 406.360 3.388 50 0 HGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)c1ccc3c(c1)OCCCO3)C=C2 ZINC000096114360 568694066 /nfs/dbraw/zinc/69/40/66/568694066.db2.gz NNYPIICFINGLFI-UHFFFAOYSA-N 0 0 409.438 3.103 50 0 biogenic HGAARN C[C@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2[nH]1 ZINC000096116431 568695905 /nfs/dbraw/zinc/69/59/05/568695905.db2.gz AQOKIKVOUHWQQL-LBPRGKRZSA-N 0 0 409.442 3.269 50 0 biogenic HGAARN Cc1cc(C)nc(N2CCC[C@@H](C(=O)N[C@H](CC(C)C)c3nnc4ccccn43)C2)n1 ZINC000096116921 568696349 /nfs/dbraw/zinc/69/63/49/568696349.db2.gz QUKLEIFHGKWLTA-RTBURBONSA-N 0 0 421.549 3.256 50 0 HGAARN O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1S(=O)(=O)C(F)F ZINC000096120234 568699309 /nfs/dbraw/zinc/69/93/09/568699309.db2.gz VNJPVFMZOWIBER-UHFFFAOYSA-N 0 0 415.483 3.223 50 0 HGAARN CO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000096122461 568700172 /nfs/dbraw/zinc/70/01/72/568700172.db2.gz ICUZCMPCKZWBLA-FQEVSTJZSA-N 0 0 416.543 3.277 50 0 HGAARN CO[C@](C)(CNS(=O)(=O)c1ccc(Br)s1)c1ccccc1F ZINC000096123601 568700356 /nfs/dbraw/zinc/70/03/56/568700356.db2.gz ZOMKLLRJLPONNI-CQSZACIVSA-N 0 0 408.314 3.490 50 0 HGAARN COC1(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)C2CC3CC(C2)CC1C3 ZINC000096123868 568700615 /nfs/dbraw/zinc/70/06/15/568700615.db2.gz BPRZZLGNEXSCKS-UHFFFAOYSA-N 0 0 419.587 3.369 50 0 HGAARN COCCN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)c1ccc(C)cc1 ZINC000096203362 568704164 /nfs/dbraw/zinc/70/41/64/568704164.db2.gz DAGFDQQTXWVCDB-UHFFFAOYSA-N 0 0 409.442 3.105 50 0 HGAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3cccc4[nH]ccc43)C2=O)cc1 ZINC000096221026 568704892 /nfs/dbraw/zinc/70/48/92/568704892.db2.gz IWZJAOZVSQAATH-FQEVSTJZSA-N 0 0 420.469 3.058 50 0 biogenic HGAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1 ZINC000096221657 568705212 /nfs/dbraw/zinc/70/52/12/568705212.db2.gz COAOKANJFAGZFX-SFHVURJKSA-N 0 0 406.442 3.016 50 0 biogenic HGAARN COc1ccc(N2CCC[C@H](C(=O)NCCSc3ccc(Cl)cc3)C2)nn1 ZINC000096231380 568707422 /nfs/dbraw/zinc/70/74/22/568707422.db2.gz ICWSXPSUDSABSH-AWEZNQCLSA-N 0 0 406.939 3.264 50 0 HGAARN COC(=O)c1ccccc1NC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C ZINC000021529780 568709996 /nfs/dbraw/zinc/70/99/96/568709996.db2.gz LNSKBPZWDNUGMB-UHFFFAOYSA-N 0 0 409.417 3.483 50 0 HGAARN C[C@H](C(=O)NCc1cccs1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000021530807 568710931 /nfs/dbraw/zinc/71/09/31/568710931.db2.gz SUDFMFUMFJXQQB-OAHLLOKOSA-N 0 0 417.556 3.365 50 0 HGAARN Cc1ccc(C)c(CN2CCCN(CC(=O)Nc3cccc(Cl)c3)S2(=O)=O)c1 ZINC000021531353 568711071 /nfs/dbraw/zinc/71/10/71/568711071.db2.gz LOTBJRBULSONME-UHFFFAOYSA-N 0 0 421.950 3.348 50 0 HGAARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1 ZINC000000849511 568711160 /nfs/dbraw/zinc/71/11/60/568711160.db2.gz VJOZBUOODWEPQI-UHFFFAOYSA-N 0 0 401.444 3.397 50 0 HGAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(SC)c2)c2ccccc2N1 ZINC000021534070 568711572 /nfs/dbraw/zinc/71/15/72/568711572.db2.gz MHBZEVRMSCCIJN-UHFFFAOYSA-N 0 0 411.483 3.253 50 0 HGAARN CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1 ZINC000000854134 568712597 /nfs/dbraw/zinc/71/25/97/568712597.db2.gz HVSLRSOFVFGUPA-UHFFFAOYSA-N 0 0 402.929 3.037 50 0 HGAARN Cc1ccc(-n2ccn3c(CCC(=O)NCCC4=CCCCC4)nnc3c2=O)cc1C ZINC000021540448 568713727 /nfs/dbraw/zinc/71/37/27/568713727.db2.gz ZVYXWCLBTSSUHV-UHFFFAOYSA-N 0 0 419.529 3.436 50 0 HGAARN O=C(C1CC1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)CCc1ccccc1 ZINC000096276033 568714781 /nfs/dbraw/zinc/71/47/81/568714781.db2.gz XTWVRFJKSODWOF-UHFFFAOYSA-N 0 0 405.454 3.489 50 0 HGAARN COc1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1OC ZINC000012414945 568717530 /nfs/dbraw/zinc/71/75/30/568717530.db2.gz PIPPMLVDRXGNEW-UHFFFAOYSA-N 0 0 424.482 3.279 50 0 HGAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000096280554 568717858 /nfs/dbraw/zinc/71/78/58/568717858.db2.gz JIGQMDBWLUYJON-UHFFFAOYSA-N 0 0 414.456 3.451 50 0 HGAARN CC(C)N(C(=O)[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(C)C ZINC000021603248 568723146 /nfs/dbraw/zinc/72/31/46/568723146.db2.gz WFZWJZGVZCMYIR-PBHICJAKSA-N 0 0 404.536 3.454 50 0 HGAARN CCOC(=O)/C=C\c1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000096307228 568723640 /nfs/dbraw/zinc/72/36/40/568723640.db2.gz YHWRTNOETHXLPC-YVMONPNESA-N 0 0 411.458 3.282 50 0 HGAARN O=C(c1ccno1)N(CCCN1CCOCC1)c1nc2c(cccc2Cl)s1 ZINC000012443820 568725127 /nfs/dbraw/zinc/72/51/27/568725127.db2.gz PVZHFRFWLFCKIY-UHFFFAOYSA-N 0 0 406.895 3.307 50 0 HGAARN Cc1cc(C)c(NC(=O)CN2CCCN(Cc3ccccc3C)S2(=O)=O)c(C)c1 ZINC000021633699 568725161 /nfs/dbraw/zinc/72/51/61/568725161.db2.gz BXXXMTPTLAKMRW-UHFFFAOYSA-N 0 0 415.559 3.311 50 0 HGAARN COc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000096316766 568725624 /nfs/dbraw/zinc/72/56/24/568725624.db2.gz HXYSBSGPGGSMAD-UHFFFAOYSA-N 0 0 411.550 3.323 50 0 HGAARN CC[C@@H](C)c1nc(C)c(Cc2cccc(C)c2)c(N2CCN(C(=O)COC)CC2)n1 ZINC000096317480 568726768 /nfs/dbraw/zinc/72/67/68/568726768.db2.gz DZIULJRMJGMVGM-GOSISDBHSA-N 0 0 410.562 3.493 50 0 HGAARN CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000003022246 568726915 /nfs/dbraw/zinc/72/69/15/568726915.db2.gz XNSKROXJJBRAGY-KRWDZBQOSA-N 0 0 406.479 3.098 50 0 HGAARN CC1(C)O[C@@H]2[C@@H](O1)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)O[C@H]1OC(C)(C)O[C@@H]21 ZINC000238899575 568727058 /nfs/dbraw/zinc/72/70/58/568727058.db2.gz GSQCRPFGOPNVJK-NJURLYQPSA-N 0 0 417.380 3.040 50 0 HGAARN C[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N21)C(=O)NCc1ccc(F)cc1 ZINC000021644131 568727900 /nfs/dbraw/zinc/72/79/00/568727900.db2.gz RBLDOCPHSJSRGU-QWHCGFSZSA-N 0 0 410.474 3.242 50 0 HGAARN CCn1c(=O)[nH]c2cc(-c3nc(-c4cccc(Br)c4)no3)ccc2c1=O ZINC000096320193 568728513 /nfs/dbraw/zinc/72/85/13/568728513.db2.gz ABUNVKXNDQNCJQ-UHFFFAOYSA-N 0 0 413.231 3.189 50 0 HGAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccccc4)c3)C(=O)[C@H]21 ZINC000239402796 568729221 /nfs/dbraw/zinc/72/92/21/568729221.db2.gz RDPWKFNJRACZBB-VMRPVKRXSA-N 0 0 403.434 3.428 50 0 HGAARN CCCCn1c2nn(CC(=O)c3cc(C)ccc3C)c(=O)n2c2ccsc2c1=O ZINC000096321839 568729287 /nfs/dbraw/zinc/72/92/87/568729287.db2.gz BJCNNHUDJVXBJX-UHFFFAOYSA-N 0 0 410.499 3.172 50 0 HGAARN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)[C@@H](c2cccc(F)c2)C1 ZINC000239807553 568729948 /nfs/dbraw/zinc/72/99/48/568729948.db2.gz CSYPPAMQUBRMNZ-QGZVFWFLSA-N 0 0 421.513 3.108 50 0 HGAARN Cc1nnc([C@H]2CCCN(C(=O)[C@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)C2)[nH]1 ZINC000240551427 568730345 /nfs/dbraw/zinc/73/03/45/568730345.db2.gz GTOZJGRTDDNYDT-JKSUJKDBSA-N 0 0 405.543 3.245 50 0 HGAARN Cc1noc([C@@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C2CCOCC2)n1 ZINC000241287073 568731056 /nfs/dbraw/zinc/73/10/56/568731056.db2.gz LJPAKVMPLXQFHM-KRWDZBQOSA-N 0 0 401.854 3.115 50 0 HGAARN COc1ccccc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C ZINC000000874009 568732950 /nfs/dbraw/zinc/73/29/50/568732950.db2.gz BTIKCHDAKJOZFQ-UHFFFAOYSA-N 0 0 401.467 3.306 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(NC(C)=O)c2)C1 ZINC000021657441 568733170 /nfs/dbraw/zinc/73/31/70/568733170.db2.gz JEXTZWJIBKUDCK-ZDUSSCGKSA-N 0 0 401.850 3.299 50 0 HGAARN CSc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O ZINC000005791855 568733968 /nfs/dbraw/zinc/73/39/68/568733968.db2.gz LCOQHRQPQAXAIU-LJQANCHMSA-N 0 0 405.426 3.092 50 0 HGAARN O=C(NCCCc1ccccc1)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324670 568734157 /nfs/dbraw/zinc/73/41/57/568734157.db2.gz IIHNQPIODAKEEY-UHFFFAOYSA-N 0 0 417.513 3.073 50 0 HGAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000005798046 568734416 /nfs/dbraw/zinc/73/44/16/568734416.db2.gz PSWOUHVUHGVXPQ-HSZRJFAPSA-N 0 0 408.454 3.231 50 0 HGAARN O=C(Nc1cccc(F)c1)C1=CN2C(=NN[C@@H]2c2cc3ccccc3oc2=O)C=C1 ZINC000021658523 568734813 /nfs/dbraw/zinc/73/48/13/568734813.db2.gz UVZWMVJWUIMMRC-FQEVSTJZSA-N 0 0 402.385 3.242 50 0 HGAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1ccccc1)C2 ZINC000096331505 568735944 /nfs/dbraw/zinc/73/59/44/568735944.db2.gz IYZHGLBEUMOETB-UHFFFAOYSA-N 0 0 403.417 3.475 50 0 HGAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccccc2Cl)CC3)n1C ZINC000096332610 568736449 /nfs/dbraw/zinc/73/64/49/568736449.db2.gz OHLWGHBXHZIOAK-UHFFFAOYSA-N 0 0 416.938 3.180 50 0 HGAARN Cc1cc(Br)ccc1NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000096344634 568737454 /nfs/dbraw/zinc/73/74/54/568737454.db2.gz AMXOGZBDPXPMAU-MRXNPFEDSA-N 0 0 416.275 3.227 50 0 HGAARN O=C(Cn1nc2c(cc1=O)CCCCC2)N1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000096345037 568737490 /nfs/dbraw/zinc/73/74/90/568737490.db2.gz XNCKGVXJDBDGQH-UHFFFAOYSA-N 0 0 402.498 3.309 50 0 HGAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccccc3)n2C)n1 ZINC000000882982 568738360 /nfs/dbraw/zinc/73/83/60/568738360.db2.gz LRHAXKWQLDSWKC-UHFFFAOYSA-N 0 0 400.533 3.245 50 0 HGAARN Cc1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000096358563 568738653 /nfs/dbraw/zinc/73/86/53/568738653.db2.gz OSLQSOWPFPWMQW-UHFFFAOYSA-N 0 0 408.889 3.157 50 0 HGAARN COc1cc(Cl)ccc1C(=O)N1CCC(c2nc(CNC(C)=O)cs2)CC1 ZINC000096372558 568739868 /nfs/dbraw/zinc/73/98/68/568739868.db2.gz FMWCYHRZRPNIKM-UHFFFAOYSA-N 0 0 407.923 3.461 50 0 HGAARN CCC(=O)NCCc1csc(C2CCN(C(=O)c3cccnc3Cl)CC2)n1 ZINC000096372920 568740385 /nfs/dbraw/zinc/74/03/85/568740385.db2.gz UKTPIQOQBASJFW-UHFFFAOYSA-N 0 0 406.939 3.280 50 0 HGAARN CC(=O)NCCc1csc([C@@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n1 ZINC000096373017 568740505 /nfs/dbraw/zinc/74/05/05/568740505.db2.gz JKHONJZPNLRURI-MRXNPFEDSA-N 0 0 405.951 3.424 50 0 HGAARN COc1ccc(CNS(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CC4)o3)c2C)cc1 ZINC000096379475 568741001 /nfs/dbraw/zinc/74/10/01/568741001.db2.gz XAAQPLVTRRJSQA-UHFFFAOYSA-N 0 0 402.476 3.046 50 0 HGAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)c1ccc(Cl)cc1F ZINC000018808808 568741286 /nfs/dbraw/zinc/74/12/86/568741286.db2.gz CHMBLGOIJIUJFS-UHFFFAOYSA-N 0 0 413.232 3.353 50 0 HGAARN O=C(CNc1ccc2c(c1)OC(F)(F)O2)Nc1cc(Cl)ccc1-n1cncn1 ZINC000021700270 568741598 /nfs/dbraw/zinc/74/15/98/568741598.db2.gz VBZPCLWCWSYEIU-UHFFFAOYSA-N 0 0 407.764 3.293 50 0 HGAARN Cc1ccc(C(=O)NCCn2c3ncccc3n(Cc3ccccc3)c2=O)cc1C ZINC000096385944 568742105 /nfs/dbraw/zinc/74/21/05/568742105.db2.gz CZQKUFXZSQKODB-UHFFFAOYSA-N 0 0 400.482 3.293 50 0 HGAARN CSc1ccc(CNC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1 ZINC000096385839 568742107 /nfs/dbraw/zinc/74/21/07/568742107.db2.gz NWBYIWYJLZLSSR-UHFFFAOYSA-N 0 0 422.485 3.365 50 0 HGAARN Cc1cccc(Cn2c3cccnc3n(CCNC(=O)c3cccc(C)c3)c2=O)c1 ZINC000096386147 568742649 /nfs/dbraw/zinc/74/26/49/568742649.db2.gz HXSZKVYPJSDXJK-UHFFFAOYSA-N 0 0 400.482 3.293 50 0 HGAARN CCc1nc2cc(N3CCC(C(=O)NCc4cccnc4)CC3)cnc2nc1CC ZINC000096387410 568744371 /nfs/dbraw/zinc/74/43/71/568744371.db2.gz SQEYPRABOGEUCH-UHFFFAOYSA-N 0 0 404.518 3.077 50 0 HGAARN CCCN1CCN(C(=O)c2c(C)oc3ccn(Cc4ccccc4F)c(=O)c32)CC1 ZINC000096396532 568745078 /nfs/dbraw/zinc/74/50/78/568745078.db2.gz XSIJVEXUNDUNLE-UHFFFAOYSA-N 0 0 411.477 3.258 50 0 HGAARN COc1cccc(NC(=O)CC2SC(c3cc4ccccc4oc3=O)=NC2=O)c1 ZINC000018992288 568745133 /nfs/dbraw/zinc/74/51/33/568745133.db2.gz AURAAWFFEYHAHJ-QGZVFWFLSA-N 0 0 408.435 3.219 50 0 HGAARN CC(C)n1c(=O)[nH]c2c(nsc2C(=O)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000096396694 568745310 /nfs/dbraw/zinc/74/53/10/568745310.db2.gz NCKDCKGGTFEWPG-UHFFFAOYSA-N 0 0 412.515 3.234 50 0 HGAARN COc1ccc(C)cc1NC(=O)N1CCC(c2nc(C(=O)N(C)C)c(C)o2)CC1 ZINC000096397035 568745742 /nfs/dbraw/zinc/74/57/42/568745742.db2.gz SFWIBWIDBPWNTM-UHFFFAOYSA-N 0 0 400.479 3.413 50 0 HGAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397669 568746336 /nfs/dbraw/zinc/74/63/36/568746336.db2.gz FQHSFOVWQHFIFX-UHFFFAOYSA-N 0 0 405.311 3.071 50 0 HGAARN CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000096398267 568746845 /nfs/dbraw/zinc/74/68/45/568746845.db2.gz HUGGRSQOMYKRHZ-HNNXBMFYSA-N 0 0 415.534 3.043 50 0 HGAARN COCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000021712278 568748524 /nfs/dbraw/zinc/74/85/24/568748524.db2.gz ILGMEZNXDRSVDS-NRFANRHFSA-N 0 0 423.513 3.005 50 0 HGAARN COC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000000897055 568748627 /nfs/dbraw/zinc/74/86/27/568748627.db2.gz 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Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccc(C)cc5)CC4)c3CO2)cc1 ZINC000263617688 568911460 /nfs/dbraw/zinc/91/14/60/568911460.db2.gz PBSIBSTUMVYQFW-QFIPXVFZSA-N 0 0 417.513 3.129 50 0 HGAARN CC1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(Br)cc2)C3)CC1 ZINC000263617426 568911483 /nfs/dbraw/zinc/91/14/83/568911483.db2.gz NTRPITIZVFQRTN-MRXNPFEDSA-N 0 0 405.296 3.184 50 0 HGAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000003517453 568911666 /nfs/dbraw/zinc/91/16/66/568911666.db2.gz YLIMZHSWSRBIRZ-UHFFFAOYSA-N 0 0 401.484 3.128 50 0 HGAARN COc1ccccc1[C@H]1NC(=O)N(Cc2nc(C3CCCCC3)no2)C2=C1C(=O)OC2 ZINC000263618203 568912448 /nfs/dbraw/zinc/91/24/48/568912448.db2.gz RTDNMRKWPRVVPS-LJQANCHMSA-N 0 0 424.457 3.203 50 0 HGAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1ccccc1Br ZINC000003530263 568912790 /nfs/dbraw/zinc/91/27/90/568912790.db2.gz KJVXKBJNRJYERN-UHFFFAOYSA-N 0 0 401.216 3.086 50 0 HGAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc(F)cc3)C2=O)c1 ZINC000001298477 568913163 /nfs/dbraw/zinc/91/31/63/568913163.db2.gz ZMKHEWNSIBEFSQ-YBEGLDIGSA-N 0 0 413.430 3.291 50 0 HGAARN COc1cc(OC)cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 ZINC000003542584 568914032 /nfs/dbraw/zinc/91/40/32/568914032.db2.gz CGIUPBGBWWAVLV-KRWDZBQOSA-N 0 0 401.459 3.341 50 0 HGAARN O=c1cc(CSc2nncn2-c2ccccc2)nc2ccc(Br)cn12 ZINC000003545822 568914174 /nfs/dbraw/zinc/91/41/74/568914174.db2.gz JAFZXMPEMTZQQP-UHFFFAOYSA-N 0 0 414.288 3.330 50 0 HGAARN CCCCN1C(=O)c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2C1=O ZINC000003549972 568914470 /nfs/dbraw/zinc/91/44/70/568914470.db2.gz QRGCZAKGWABLTH-UHFFFAOYSA-N 0 0 405.410 3.490 50 0 HGAARN O=C1C([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)C([O-])=NC(=S)N1CCc1ccccc1 ZINC000001322940 568914665 /nfs/dbraw/zinc/91/46/65/568914665.db2.gz GUDYFMZGYBKFRU-HXUWFJFHSA-N 0 0 418.522 3.197 50 0 biogenic HGAARN CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000010295101 568915158 /nfs/dbraw/zinc/91/51/58/568915158.db2.gz UTGQCTLDMWXETD-UHFFFAOYSA-N 0 0 424.906 3.012 50 0 HGAARN COc1ccc(/C=C/C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000003557849 568915570 /nfs/dbraw/zinc/91/55/70/568915570.db2.gz SFXFZGLLVIBEQU-CSKARUKUSA-N 0 0 420.556 3.261 50 0 HGAARN CSc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000003567830 568916313 /nfs/dbraw/zinc/91/63/13/568916313.db2.gz LZCWAUNTUIVYHH-UHFFFAOYSA-N 0 0 415.439 3.200 50 0 HGAARN COC[C@@H](C)n1c(SCCCn2c3ccccc3[nH]c2=O)nc2ccccc2c1=O ZINC000003568188 568916386 /nfs/dbraw/zinc/91/63/86/568916386.db2.gz VUQMUEQJLUZFOE-OAHLLOKOSA-N 0 0 424.526 3.429 50 0 HGAARN CN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C[C@H]1COc2ccccc2O1 ZINC000031185280 568918117 /nfs/dbraw/zinc/91/81/17/568918117.db2.gz ARHYFFPVYKUANI-HNNXBMFYSA-N 0 0 414.462 3.201 50 0 HGAARN Cc1ccc(Cn2nnc3c2ncnc3SCC(=O)OCc2ccccc2)cc1 ZINC000004166401 568918981 /nfs/dbraw/zinc/91/89/81/568918981.db2.gz AGLPTFFOQNVRJO-UHFFFAOYSA-N 0 0 405.483 3.414 50 0 HGAARN Cc1ccc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 ZINC000004166083 568919073 /nfs/dbraw/zinc/91/90/73/568919073.db2.gz LMQHCJUPGGWWCQ-UHFFFAOYSA-N 0 0 401.470 3.455 50 0 HGAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc(Br)cc1 ZINC000003600829 568919204 /nfs/dbraw/zinc/91/92/04/568919204.db2.gz YUWHWZXACFEEKW-FQEVSTJZSA-N 0 0 413.271 3.415 50 0 HGAARN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCc3ccc(Cl)cc3Cl)c(C)c12 ZINC000058441159 568919443 /nfs/dbraw/zinc/91/94/43/568919443.db2.gz WOZJQLZTRHLUFQ-UHFFFAOYSA-N 0 0 421.328 3.477 50 0 HGAARN COc1cc(CCC(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000003621041 568920677 /nfs/dbraw/zinc/92/06/77/568920677.db2.gz NGMLVHPVLAULFT-UHFFFAOYSA-N 0 0 420.893 3.396 50 0 HGAARN CCNc1cc(N(C)C)nc(Oc2ccc(OCCOc3ccccc3C)nn2)n1 ZINC000003645014 568922240 /nfs/dbraw/zinc/92/22/40/568922240.db2.gz XCFAKNMCAHKKGH-UHFFFAOYSA-N 0 0 410.478 3.323 50 0 HGAARN CCCN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000012731212 568922534 /nfs/dbraw/zinc/92/25/34/568922534.db2.gz PHZPICRJWRXOJZ-UHFFFAOYSA-N 0 0 412.914 3.239 50 0 HGAARN COc1ccc(CN2CCn3ncc(C(=O)Nc4cc(C)cc(C)c4)c3C2=O)cc1 ZINC000001386375 568922561 /nfs/dbraw/zinc/92/25/61/568922561.db2.gz YHKJWEUMEXOONC-UHFFFAOYSA-N 0 0 404.470 3.417 50 0 HGAARN O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000031316477 568922956 /nfs/dbraw/zinc/92/29/56/568922956.db2.gz POOJTVJJNHGGRW-OAQYLSRUSA-N 0 0 418.424 3.085 50 0 HGAARN C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388636 568923194 /nfs/dbraw/zinc/92/31/94/568923194.db2.gz CLZXGTNYJRVOQO-MRXNPFEDSA-N 0 0 405.369 3.008 50 0 HGAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000012734758 568923585 /nfs/dbraw/zinc/92/35/85/568923585.db2.gz XVJWULFPKVWARA-GCJKJVERSA-N 0 0 423.513 3.129 50 0 HGAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)c(F)c1 ZINC000012734440 568923626 /nfs/dbraw/zinc/92/36/26/568923626.db2.gz ACAZOLJVMQXZBI-UHFFFAOYSA-N 0 0 408.480 3.405 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)o2)s1 ZINC000012734382 568923644 /nfs/dbraw/zinc/92/36/44/568923644.db2.gz NYNLZXPXYOJTOR-UHFFFAOYSA-N 0 0 421.338 3.064 50 0 HGAARN O=C(c1ccccc1F)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012737642 568925323 /nfs/dbraw/zinc/92/53/23/568925323.db2.gz PXVIOAZRWQFWDM-UHFFFAOYSA-N 0 0 400.841 3.487 50 0 HGAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000012737547 568925374 /nfs/dbraw/zinc/92/53/74/568925374.db2.gz PDXHVQOLGUTOIG-BBWFWOEESA-N 0 0 403.500 3.403 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000053057757 568926628 /nfs/dbraw/zinc/92/66/28/568926628.db2.gz DSEGQMVXRFYPHS-ZDUSSCGKSA-N 0 0 407.253 3.391 50 0 HGAARN O=C(Nc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000001401321 568927229 /nfs/dbraw/zinc/92/72/29/568927229.db2.gz WNFPRCJAKLDWNJ-INIZCTEOSA-N 0 0 409.305 3.241 50 0 HGAARN O=C(NCCCSc1ccccc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000031553365 568927919 /nfs/dbraw/zinc/92/79/19/568927919.db2.gz STULBKCWGKWDSE-MOPGFXCFSA-N 0 0 418.559 3.267 50 0 HGAARN CCSc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025896149 568929768 /nfs/dbraw/zinc/92/97/68/568929768.db2.gz FOXCHNYFHULEGJ-UHFFFAOYSA-N 0 0 404.557 3.382 50 0 HGAARN COC(=O)c1csc(NC(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000083980579 568929954 /nfs/dbraw/zinc/92/99/54/568929954.db2.gz GVFUZWAUEZAPTE-UHFFFAOYSA-N 0 0 417.487 3.426 50 0 HGAARN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000031734062 568930082 /nfs/dbraw/zinc/93/00/82/568930082.db2.gz RBZLQKADOZRBCF-UHFFFAOYSA-N 0 0 415.298 3.351 50 0 HGAARN Cc1cc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)n(-c2ccc(C)cc2)n1 ZINC000031741083 568930085 /nfs/dbraw/zinc/93/00/85/568930085.db2.gz SWCFKGCEPZSNDS-UHFFFAOYSA-N 0 0 407.861 3.491 50 0 HGAARN CCCc1noc([C@H](C)Sc2nc3cc(S(N)(=O)=O)ccc3n2CCC)n1 ZINC000031739470 568930099 /nfs/dbraw/zinc/93/00/99/568930099.db2.gz ZBNQCIITQYNWDD-NSHDSACASA-N 0 0 409.537 3.283 50 0 HGAARN Cc1ccc(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C ZINC000031751826 568930347 /nfs/dbraw/zinc/93/03/47/568930347.db2.gz KBVUDXFARKWBOG-INIZCTEOSA-N 0 0 420.556 3.083 50 0 HGAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 ZINC000031751814 568930386 /nfs/dbraw/zinc/93/03/86/568930386.db2.gz ZOGNOOFNCKWXNK-INIZCTEOSA-N 0 0 420.556 3.083 50 0 HGAARN C[C@H](CC(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1 ZINC000031767497 568930709 /nfs/dbraw/zinc/93/07/09/568930709.db2.gz CSSUJVQWZIAMSX-CYBMUJFWSA-N 0 0 422.312 3.048 50 0 HGAARN CCOC(=O)C1=C(N)Oc2c3cccc(C)c3[nH]c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000003984337 568931252 /nfs/dbraw/zinc/93/12/52/568931252.db2.gz WTRUADIQGFCSSR-INIZCTEOSA-N 0 0 406.438 3.103 50 0 biogenic HGAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NCCCn1ccnc1 ZINC000003985155 568931274 /nfs/dbraw/zinc/93/12/74/568931274.db2.gz AMJALMUHGMYUPN-UHFFFAOYSA-N 0 0 403.438 3.242 50 0 biogenic HGAARN CCCOc1ccc(CO[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004029421 568934409 /nfs/dbraw/zinc/93/44/09/568934409.db2.gz DCXWQAUMSHLOLW-OUUBHVDSSA-N 0 0 408.491 3.389 50 0 biogenic HGAARN COc1ccc(OCc2nnc3n2N=C(c2ccc(OC)c(OC)c2)CS3)cc1 ZINC000001417185 568934772 /nfs/dbraw/zinc/93/47/72/568934772.db2.gz HKXIJAJOOCLDAT-UHFFFAOYSA-N 0 0 412.471 3.241 50 0 HGAARN C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(F)cc1 ZINC000012748784 568935100 /nfs/dbraw/zinc/93/51/00/568935100.db2.gz VLSLJXKCSXGJIE-YUNKPMOVSA-N 0 0 400.431 3.325 50 0 HGAARN Cc1ccc(CNC(=O)NCC(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000012748747 568935123 /nfs/dbraw/zinc/93/51/23/568935123.db2.gz POCNPKNDCYXZNS-CQSZACIVSA-N 0 0 404.308 3.434 50 0 HGAARN Cc1ccc2cc(CCNC(=S)NCCn3ccc4ccccc43)c(=O)[nH]c2c1 ZINC000004033711 568935256 /nfs/dbraw/zinc/93/52/56/568935256.db2.gz BHFUPURYENZTDH-UHFFFAOYSA-N 0 0 404.539 3.498 50 0 HGAARN CCOc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(C)=O ZINC000004036251 568935426 /nfs/dbraw/zinc/93/54/26/568935426.db2.gz UAVGJKOKNFCDEE-IBGZPJMESA-N 0 0 401.488 3.154 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2OCc2ccccc2)o1 ZINC000046500409 568939407 /nfs/dbraw/zinc/93/94/07/568939407.db2.gz VBVLRYCGCIMBSG-UHFFFAOYSA-N 0 0 414.483 3.039 50 0 HGAARN COc1ccc([C@@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004083647 568939509 /nfs/dbraw/zinc/93/95/09/568939509.db2.gz QRNKNSHIVHXWFE-DFBJGRDBSA-N 0 0 415.493 3.370 50 0 biogenic HGAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000012751480 568940910 /nfs/dbraw/zinc/94/09/10/568940910.db2.gz WLYOEPFFHPMAPC-UHFFFAOYSA-N 0 0 405.376 3.029 50 0 HGAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)NCCCO)ccc23)cc1 ZINC000004088514 568941234 /nfs/dbraw/zinc/94/12/34/568941234.db2.gz DNFWQAGSARYFRN-HNNXBMFYSA-N 0 0 411.454 3.043 50 0 biogenic HGAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CS(=O)(=O)C2 ZINC000004088603 568941293 /nfs/dbraw/zinc/94/12/93/568941293.db2.gz RIQIIRPKOHJQRA-UHFFFAOYSA-N 0 0 401.410 3.338 50 0 HGAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000004091290 568942387 /nfs/dbraw/zinc/94/23/87/568942387.db2.gz WJPDDGQMYQUGSP-NNFUDEMPSA-N 0 0 417.285 3.159 50 0 HGAARN CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2 ZINC000004105751 568943019 /nfs/dbraw/zinc/94/30/19/568943019.db2.gz WXLIXYVNZZCUIV-GDLZYMKVSA-N 0 0 411.483 3.294 50 0 HGAARN Cc1nn(CC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c(=O)c2ccccc12 ZINC000012756106 568943084 /nfs/dbraw/zinc/94/30/84/568943084.db2.gz VUZZPHZZCOFZIM-AWEZNQCLSA-N 0 0 411.531 3.032 50 0 HGAARN CCCN(Cn1nc(-c2ccccc2Cl)oc1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012758481 568943518 /nfs/dbraw/zinc/94/35/18/568943518.db2.gz HZGUHQUSNQRQHD-LBPRGKRZSA-N 0 0 401.941 3.383 50 0 HGAARN CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2CC)S[C@@H](C)C3)cc1 ZINC000004107868 568943690 /nfs/dbraw/zinc/94/36/90/568943690.db2.gz YLKFAARGXJLBOR-LBPRGKRZSA-N 0 0 405.545 3.429 50 0 HGAARN COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(c1=O)S[C@@H](C)C2 ZINC000004108025 568943838 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CCOc1ccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1 ZINC000015858664 569014934 /nfs/dbraw/zinc/01/49/34/569014934.db2.gz AWVHNEZGLCUESH-UHFFFAOYSA-N 0 0 402.472 3.040 50 0 HGAARN Cc1ccc(OCCSc2nnc(Cc3c(C)nc4ccccn4c3=O)n2C)cc1 ZINC000015859279 569015105 /nfs/dbraw/zinc/01/51/05/569015105.db2.gz NQYXNBMZFUZEAM-UHFFFAOYSA-N 0 0 421.526 3.202 50 0 HGAARN CN1c2ccccc2/C(=c2/sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)C1=O ZINC000006159437 569015512 /nfs/dbraw/zinc/01/55/12/569015512.db2.gz ZXBNRTDCPKQFMH-ZCXUNETKSA-N 0 0 416.506 3.010 50 0 HGAARN COc1cc(NC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)cc(OC)c1OC ZINC000015861500 569015595 /nfs/dbraw/zinc/01/55/95/569015595.db2.gz JYKLEAHVAMIPKE-UHFFFAOYSA-N 0 0 424.457 3.403 50 0 HGAARN CCN1c2ccc(S(=O)(=O)CCC(=O)Nc3cccc(C)c3C)cc2CC1=O ZINC000015864462 569016496 /nfs/dbraw/zinc/01/64/96/569016496.db2.gz RLVMRQLMESGWHS-UHFFFAOYSA-N 0 0 400.500 3.015 50 0 HGAARN Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCCN1CCCC[C@H]1C ZINC000015879151 569017841 /nfs/dbraw/zinc/01/78/41/569017841.db2.gz VGIOORNWHGPWLE-CQGGRAHPSA-N 0 0 417.575 3.198 50 0 HGAARN COc1ccc(C(=O)N2CCC(C(=O)OCC(=O)c3ccc[nH]3)CC2)c2ccccc12 ZINC000049600827 569018938 /nfs/dbraw/zinc/01/89/38/569018938.db2.gz KOYNPPGFPGICJY-UHFFFAOYSA-N 0 0 420.465 3.455 50 0 HGAARN CC(C)Oc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000012882591 569019084 /nfs/dbraw/zinc/01/90/84/569019084.db2.gz SBDSEOYWTYMKDG-MRXNPFEDSA-N 0 0 409.486 3.310 50 0 HGAARN Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(Cl)cc3)nn2)cc1 ZINC000015884243 569019590 /nfs/dbraw/zinc/01/95/90/569019590.db2.gz IECWWAFLCOJIPY-UHFFFAOYSA-N 0 0 403.891 3.463 50 0 HGAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000015883974 569019772 /nfs/dbraw/zinc/01/97/72/569019772.db2.gz DSWQOPLZQIFXQQ-UHFFFAOYSA-N 0 0 419.533 3.138 50 0 HGAARN O=C(OCc1cc(-c2cccs2)on1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000012893946 569020139 /nfs/dbraw/zinc/02/01/39/569020139.db2.gz SOCBDHFPEBUBMF-UHFFFAOYSA-N 0 0 404.469 3.300 50 0 HGAARN C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc2c(c1)OCCO2 ZINC000012895960 569020331 /nfs/dbraw/zinc/02/03/31/569020331.db2.gz CCCLSTDUTJVYHO-LBPRGKRZSA-N 0 0 413.455 3.180 50 0 HGAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000012897364 569020355 /nfs/dbraw/zinc/02/03/55/569020355.db2.gz FUJZMAZVVZMUDI-UHFFFAOYSA-N 0 0 420.465 3.164 50 0 HGAARN COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000012899325 569020550 /nfs/dbraw/zinc/02/05/50/569020550.db2.gz HWXBSRDVNDRBNT-UHFFFAOYSA-N 0 0 413.426 3.317 50 0 biogenic HGAARN Cc1nn(C)c2sc(C(=O)N(C)CC(=O)Nc3ccccc3Br)cc12 ZINC000012900925 569020733 /nfs/dbraw/zinc/02/07/33/569020733.db2.gz DUZIIAWTSNPABS-UHFFFAOYSA-N 0 0 421.320 3.416 50 0 HGAARN COc1cccc2[nH]c(C(=O)N[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)cc21 ZINC000012902824 569020973 /nfs/dbraw/zinc/02/09/73/569020973.db2.gz SKEMYHYCULDBEK-AWEZNQCLSA-N 0 0 404.470 3.135 50 0 biogenic HGAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCOc1ccccc1 ZINC000012903999 569021015 /nfs/dbraw/zinc/02/10/15/569021015.db2.gz ZVWGMBLKCLJJEL-SFHVURJKSA-N 0 0 406.935 3.387 50 0 HGAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000012907314 569021265 /nfs/dbraw/zinc/02/12/65/569021265.db2.gz LGDAOOHGIGTLLK-UHFFFAOYSA-N 0 0 401.470 3.090 50 0 HGAARN COc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000012909376 569021772 /nfs/dbraw/zinc/02/17/72/569021772.db2.gz SSOQKSPRCWYUOT-HXUWFJFHSA-N 0 0 416.543 3.090 50 0 HGAARN CNC(=O)c1ccc(CN(C)Cn2ncn(CCc3cccs3)c2=S)cc1 ZINC000012913825 569022105 /nfs/dbraw/zinc/02/21/05/569022105.db2.gz DXIGTOAMICUFDD-UHFFFAOYSA-N 0 0 401.561 3.167 50 0 HGAARN COc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)cc1Cl ZINC000012916120 569022538 /nfs/dbraw/zinc/02/25/38/569022538.db2.gz AMXKHBPUFTZSAF-CYBMUJFWSA-N 0 0 407.923 3.195 50 0 HGAARN O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000012922127 569023076 /nfs/dbraw/zinc/02/30/76/569023076.db2.gz ZEXJXMMFNIDMSG-UHFFFAOYSA-N 0 0 416.484 3.054 50 0 HGAARN CCCOc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000012922010 569023118 /nfs/dbraw/zinc/02/31/18/569023118.db2.gz SURSMWJVNNODLY-UHFFFAOYSA-N 0 0 406.504 3.052 50 0 HGAARN C[C@H](OC(=O)c1ccccc1SC(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012921152 569023199 /nfs/dbraw/zinc/02/31/99/569023199.db2.gz YIGNHXNRDFXCEK-VIFPVBQESA-N 0 0 407.398 3.355 50 0 HGAARN CCCN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012924435 569023587 /nfs/dbraw/zinc/02/35/87/569023587.db2.gz IFVQRJDYVZFCKB-AWEZNQCLSA-N 0 0 416.569 3.413 50 0 HGAARN NS(=O)(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC000012926110 569023755 /nfs/dbraw/zinc/02/37/55/569023755.db2.gz IEELBMRTFXFDNY-UHFFFAOYSA-N 0 0 400.431 3.195 50 0 HGAARN O=C(NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012928673 569024294 /nfs/dbraw/zinc/02/42/94/569024294.db2.gz DRPRREFFPXNJSD-UHFFFAOYSA-N 0 0 409.511 3.056 50 0 HGAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)c1 ZINC000575414202 569025116 /nfs/dbraw/zinc/02/51/16/569025116.db2.gz PFSPIBYAWKEXND-UHFFFAOYSA-N 0 0 401.440 3.220 50 0 HGAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1Cl ZINC000015989395 569025378 /nfs/dbraw/zinc/02/53/78/569025378.db2.gz FBXDZDCDEJXLBM-UHFFFAOYSA-N 0 0 424.906 3.012 50 0 HGAARN CN(C)S(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1Br ZINC000016023002 569026190 /nfs/dbraw/zinc/02/61/90/569026190.db2.gz MBEFOAPPBUOBNF-UHFFFAOYSA-N 0 0 423.332 3.292 50 0 HGAARN O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000006558019 569027341 /nfs/dbraw/zinc/02/73/41/569027341.db2.gz IRITVKIAABOCAT-ZHACJKMWSA-N 0 0 407.495 3.202 50 0 HGAARN O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012938630 569028028 /nfs/dbraw/zinc/02/80/28/569028028.db2.gz SIJVJOKYOHEMSU-GFCCVEGCSA-N 0 0 417.259 3.212 50 0 HGAARN O=C([C@H](c1ccccc1)n1cccc1)N1CCN(CCOc2ccc(F)cc2)CC1 ZINC000575444048 569028605 /nfs/dbraw/zinc/02/86/05/569028605.db2.gz WILABXVHMZXTEP-QHCPKHFHSA-N 0 0 407.489 3.440 50 0 HGAARN Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000016087557 569028749 /nfs/dbraw/zinc/02/87/49/569028749.db2.gz UTAMFKYIZCYGKX-UHFFFAOYSA-N 0 0 416.421 3.461 50 0 HGAARN CC(C)OC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1Cl ZINC000016107310 569028974 /nfs/dbraw/zinc/02/89/74/569028974.db2.gz NAGFLALTMLQMKP-SFHVURJKSA-N 0 0 420.868 3.408 50 0 HGAARN Cc1cc(C)c(C)c(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccccc2)c1C ZINC000012950081 569029471 /nfs/dbraw/zinc/02/94/71/569029471.db2.gz JPMGLMNAQLAEHI-UHFFFAOYSA-N 0 0 400.544 3.390 50 0 HGAARN Cc1ccc(OCCNC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000026281954 569031071 /nfs/dbraw/zinc/03/10/71/569031071.db2.gz PXXQKEKNNCADLS-UHFFFAOYSA-N 0 0 424.545 3.085 50 0 HGAARN COc1cccc(CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000008379151 569031814 /nfs/dbraw/zinc/03/18/14/569031814.db2.gz QWKWSAFIMNCOJR-NTCAYCPXSA-N 0 0 414.527 3.024 50 0 HGAARN O=S(=O)(NCC[C@H](CCO)c1cccs1)c1ccc(OC(F)(F)F)cc1 ZINC000575608873 569032270 /nfs/dbraw/zinc/03/22/70/569032270.db2.gz ZXNLCOHIUMQVRC-GFCCVEGCSA-N 0 0 409.451 3.481 50 0 HGAARN Cc1cccc(-c2n[nH]cc2C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 ZINC000575613715 569032708 /nfs/dbraw/zinc/03/27/08/569032708.db2.gz KLDHLLRJUYXVLI-UHFFFAOYSA-N 0 0 416.407 3.156 50 0 HGAARN COc1c2c(cc(-c3c4c(=O)occ-4[nH]c4cc5c(cc43)OCCO5)c1OC)OCO2 ZINC000035326495 569032865 /nfs/dbraw/zinc/03/28/65/569032865.db2.gz VBVHHXMUBPGWTJ-UHFFFAOYSA-N 0 0 423.377 3.089 50 0 HGAARN Cn1cc([C@H](CC(=O)NCCN2CCOCC2)c2ccc(F)cc2)c2ccccc21 ZINC000035371549 569033798 /nfs/dbraw/zinc/03/37/98/569033798.db2.gz YZLITEZOBOTXQZ-OAQYLSRUSA-N 0 0 409.505 3.288 50 0 HGAARN COc1cccc(NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)c1 ZINC000035373297 569033813 /nfs/dbraw/zinc/03/38/13/569033813.db2.gz HBSZNSPQYQFFSF-UHFFFAOYSA-N 0 0 404.426 3.466 50 0 HGAARN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035375831 569034095 /nfs/dbraw/zinc/03/40/95/569034095.db2.gz ZQLIGEAQVHBOER-OAHLLOKOSA-N 0 0 422.460 3.400 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)cc1C ZINC000006237343 569034132 /nfs/dbraw/zinc/03/41/32/569034132.db2.gz KGYRGIQJNMWXLA-IBGZPJMESA-N 0 0 400.544 3.330 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccnc1 ZINC000006238598 569034284 /nfs/dbraw/zinc/03/42/84/569034284.db2.gz JKQLMHNTJGZAOY-UHFFFAOYSA-N 0 0 409.467 3.094 50 0 HGAARN CCc1ccccc1NC(=O)CN1C(=O)COc2ccc(C(=O)N(CC)CC)cc21 ZINC000035377020 569034422 /nfs/dbraw/zinc/03/44/22/569034422.db2.gz MITWGFMGGHCBIA-UHFFFAOYSA-N 0 0 409.486 3.095 50 0 HGAARN CC(C)Sc1ccccc1N1CCN(CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000102195582 569034650 /nfs/dbraw/zinc/03/46/50/569034650.db2.gz AGWLUSJKNUQPEC-KDURUIRLSA-N 0 0 415.603 3.484 50 0 HGAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035402954 569035953 /nfs/dbraw/zinc/03/59/53/569035953.db2.gz ZJIPXJCZYQWCCE-GOSISDBHSA-N 0 0 417.868 3.067 50 0 HGAARN CCCc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)sc1C ZINC000006266544 569036136 /nfs/dbraw/zinc/03/61/36/569036136.db2.gz OFQJZOSGVCBWDU-UHFFFAOYSA-N 0 0 408.545 3.282 50 0 HGAARN CCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264167 569036203 /nfs/dbraw/zinc/03/62/03/569036203.db2.gz COYIMEITIZUVMK-LEOXJPRUSA-N 0 0 404.551 3.375 50 0 biogenic HGAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc21 ZINC000035426920 569036568 /nfs/dbraw/zinc/03/65/68/569036568.db2.gz GFIDKIFGUOMKLJ-UHFFFAOYSA-N 0 0 402.541 3.282 50 0 HGAARN O=C(Cn1cnc2c3cccnc3sc2c1=O)Nc1oncc1-c1ccccc1 ZINC000575616053 569036656 /nfs/dbraw/zinc/03/66/56/569036656.db2.gz ORACNYKJBXBZLD-UHFFFAOYSA-N 0 0 403.423 3.300 50 0 HGAARN Cn1cc(CC(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)c2ccccc21 ZINC000575616971 569037154 /nfs/dbraw/zinc/03/71/54/569037154.db2.gz LWHRTYLKPWQVKP-GOSISDBHSA-N 0 0 400.482 3.294 50 0 HGAARN Cc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CCC(=O)N2CCOCC2)no1 ZINC000035460467 569038194 /nfs/dbraw/zinc/03/81/94/569038194.db2.gz XWQKIYJWWLJAGI-UHFFFAOYSA-N 0 0 417.469 3.311 50 0 HGAARN COc1ccc(Br)c(C(=O)NCc2ccc(-c3ccnn3C)nc2)c1 ZINC000575621424 569039000 /nfs/dbraw/zinc/03/90/00/569039000.db2.gz OEAMQNFJGFYEJR-UHFFFAOYSA-N 0 0 401.264 3.183 50 0 HGAARN COc1ccc2cc([C@@H](C)C(=O)N/N=C(\C)c3ccc(-n4cnnn4)cc3)ccc2c1 ZINC000033687099 569040083 /nfs/dbraw/zinc/04/00/83/569040083.db2.gz AAEGSLYWQWGPQJ-DAWOQIAZSA-N 0 0 414.469 3.468 50 0 HGAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000035508106 569041040 /nfs/dbraw/zinc/04/10/40/569041040.db2.gz WCXLMLFVVTYNMU-LJQANCHMSA-N 0 0 407.518 3.331 50 0 HGAARN Cc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 ZINC000090607150 569041864 /nfs/dbraw/zinc/04/18/64/569041864.db2.gz VIOSXGBSXOIZRZ-UHFFFAOYSA-N 0 0 401.492 3.144 50 0 HGAARN Cc1cc(NC(=O)CCC2=C(C)NS(=O)(=O)N=C2C)ccc1Br ZINC000012978247 569042493 /nfs/dbraw/zinc/04/24/93/569042493.db2.gz FABNIWQLVGYANO-UHFFFAOYSA-N 0 0 400.298 3.059 50 0 HGAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c2ccccc2c(=O)n(C(C)C)c1=O ZINC000090610112 569042599 /nfs/dbraw/zinc/04/25/99/569042599.db2.gz PTZOCAUCKSZHSN-UHFFFAOYSA-N 0 0 415.877 3.353 50 0 HGAARN COc1ccc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)sc2c1 ZINC000012978473 569042605 /nfs/dbraw/zinc/04/26/05/569042605.db2.gz AAFSTGAARYNNPW-MRXNPFEDSA-N 0 0 417.512 3.097 50 0 HGAARN C[C@@H](NC(=O)C(=O)NCc1ccc([C@H](O)c2cccs2)s1)c1ccccc1 ZINC000090613733 569042858 /nfs/dbraw/zinc/04/28/58/569042858.db2.gz PHBRAGJVDZMCRN-FZKQIMNGSA-N 0 0 400.525 3.385 50 0 HGAARN COc1ccc(OC)c(-c2cc(C(=O)NCC[C@@H](O)c3cc(C)oc3C)n(C)n2)c1 ZINC000090613428 569042889 /nfs/dbraw/zinc/04/28/89/569042889.db2.gz JKXSBYQTJCHLAP-HXUWFJFHSA-N 0 0 413.474 3.168 50 0 HGAARN Cc1nccn1C[C@H](C)C(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000035510825 569042977 /nfs/dbraw/zinc/04/29/77/569042977.db2.gz TYMYTWGGERAYHN-HNNXBMFYSA-N 0 0 406.465 3.076 50 0 HGAARN CCc1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(CC)cc3)S2(=O)=O)cc1 ZINC000035534711 569043445 /nfs/dbraw/zinc/04/34/45/569043445.db2.gz DSYPTTVDHYTAIK-UHFFFAOYSA-N 0 0 412.511 3.353 50 0 HGAARN COc1ccc(OC)c(S(=O)(=O)NCc2nc3cccnc3n2C2CCCC2)c1 ZINC000035526517 569043774 /nfs/dbraw/zinc/04/37/74/569043774.db2.gz CVJBWQAHAROTLB-UHFFFAOYSA-N 0 0 416.503 3.042 50 0 HGAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000035526950 569043852 /nfs/dbraw/zinc/04/38/52/569043852.db2.gz ZSVIYHHMPFTHNF-NRFANRHFSA-N 0 0 422.497 3.380 50 0 HGAARN COc1ccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000035526806 569043872 /nfs/dbraw/zinc/04/38/72/569043872.db2.gz WGSOWZWTPJUNNT-HSZRJFAPSA-N 0 0 414.477 3.158 50 0 HGAARN CCCn1c2nnc(CCC(=O)N3CCc4ccccc4C3)n2c2ccsc2c1=O ZINC000035528696 569044061 /nfs/dbraw/zinc/04/40/61/569044061.db2.gz WKRLQWBQABWECG-UHFFFAOYSA-N 0 0 421.526 3.033 50 0 HGAARN CC1(C(=O)NCc2ccc(F)cc2F)CCN(C(=O)COc2ccccc2)CC1 ZINC000035530943 569044321 /nfs/dbraw/zinc/04/43/21/569044321.db2.gz PRABLWGUOGNKOJ-UHFFFAOYSA-N 0 0 402.441 3.289 50 0 HGAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3cccc(C)c3)CC2)cc1 ZINC000035531491 569044361 /nfs/dbraw/zinc/04/43/61/569044361.db2.gz MTSPVPJSKZNTMI-UHFFFAOYSA-N 0 0 416.543 3.111 50 0 HGAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4cccc(N(C)C)c4)CC3)cc2)no1 ZINC000035552747 569044557 /nfs/dbraw/zinc/04/45/57/569044557.db2.gz YWMJGUXUAUPGNL-UHFFFAOYSA-N 0 0 405.502 3.327 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3cccc(F)c3)n2C)c1 ZINC000035561120 569044970 /nfs/dbraw/zinc/04/49/70/569044970.db2.gz QBMKVUNANNYPAA-UHFFFAOYSA-N 0 0 417.506 3.278 50 0 HGAARN COc1ccc(CC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1Cl ZINC000035562161 569045067 /nfs/dbraw/zinc/04/50/67/569045067.db2.gz BEVYWBBSENKAIP-UHFFFAOYSA-N 0 0 411.889 3.357 50 0 HGAARN COc1ccccc1CCC(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C)CC1 ZINC000035562255 569045135 /nfs/dbraw/zinc/04/51/35/569045135.db2.gz SUJWBLKGVUXQGW-UHFFFAOYSA-N 0 0 405.498 3.402 50 0 HGAARN Cc1nnc(NC(=O)CSc2nnc(NC(=O)Nc3cccs3)s2)s1 ZINC000035590125 569045390 /nfs/dbraw/zinc/04/53/90/569045390.db2.gz GMAGLZWNTCDTEQ-UHFFFAOYSA-N 0 0 413.535 3.134 50 0 HGAARN C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 ZINC000006376099 569045398 /nfs/dbraw/zinc/04/53/98/569045398.db2.gz MXPUHTLBDFFFFQ-OAHLLOKOSA-N 0 0 408.454 3.467 50 0 HGAARN COc1ccc(NC(=O)CSCC(=O)N(C)Cc2cccc(OC)c2OC)cc1 ZINC000012982435 569047324 /nfs/dbraw/zinc/04/73/24/569047324.db2.gz OTVHZKOFPZQHOR-UHFFFAOYSA-N 0 0 418.515 3.043 50 0 HGAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)n(-c2ccccc2)n1 ZINC000012982588 569047337 /nfs/dbraw/zinc/04/73/37/569047337.db2.gz JOBNDFIXVQTUNE-UHFFFAOYSA-N 0 0 405.502 3.307 50 0 HGAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012988257 569047526 /nfs/dbraw/zinc/04/75/26/569047526.db2.gz FPZYLLHXQWISKB-UHFFFAOYSA-N 0 0 410.499 3.182 50 0 HGAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(OCc3ccccc3)c2)C1=O ZINC000012985209 569047735 /nfs/dbraw/zinc/04/77/35/569047735.db2.gz BTONNEYNYWAKCC-XMMPIXPASA-N 0 0 415.449 3.378 50 0 HGAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000036688485 569048027 /nfs/dbraw/zinc/04/80/27/569048027.db2.gz CREOCENTTNVRIA-VKUYVZBCSA-N 0 0 411.483 3.470 50 0 HGAARN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000036688487 569048064 /nfs/dbraw/zinc/04/80/64/569048064.db2.gz CREOCENTTNVRIA-ASJRZHAZSA-N 0 0 411.483 3.470 50 0 HGAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000012999201 569048952 /nfs/dbraw/zinc/04/89/52/569048952.db2.gz KAOHVGHVDIVJAS-UHFFFAOYSA-N 0 0 402.907 3.255 50 0 HGAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000013002262 569049228 /nfs/dbraw/zinc/04/92/28/569049228.db2.gz UKWVCWMPOJTSCF-CALCHBBNSA-N 0 0 402.516 3.070 50 0 HGAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000013002989 569049282 /nfs/dbraw/zinc/04/92/82/569049282.db2.gz JNNBLYQWZSLKPE-FQEVSTJZSA-N 0 0 416.880 3.445 50 0 HGAARN COc1ccc(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)c(OC)c1 ZINC000013004087 569049432 /nfs/dbraw/zinc/04/94/32/569049432.db2.gz ONFAVXXIUYCHSF-AUUYWEPGSA-N 0 0 419.528 3.220 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/nfs/dbraw/zinc/05/50/57/569055057.db2.gz ZYCRYBODJBAFDM-FUHWJXTLSA-N 0 0 400.906 3.491 50 0 HGAARN O=C(NCCc1ccccc1)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000245255006 569055447 /nfs/dbraw/zinc/05/54/47/569055447.db2.gz DJEMAGSIZQDJKX-WGSAOQKQSA-N 0 0 405.498 3.267 50 0 HGAARN Cc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H]3CCCN23)cc1 ZINC000245324904 569055794 /nfs/dbraw/zinc/05/57/94/569055794.db2.gz CEAHITVAIUOWIK-HAGHYFMRSA-N 0 0 408.885 3.484 50 0 HGAARN O=C(CNC(=O)c1cccs1)OCC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000001838598 569056430 /nfs/dbraw/zinc/05/64/30/569056430.db2.gz UJZZLBIDKOUABF-UHFFFAOYSA-N 0 0 409.463 3.483 50 0 HGAARN Cc1ccc(CSc2sc3c(c2C(N)=O)NC(=O)[C@H]2CCCN2C3=O)cc1 ZINC000067604722 569057257 /nfs/dbraw/zinc/05/72/57/569057257.db2.gz UFTMJQTUYZMLOC-GFCCVEGCSA-N 0 0 401.513 3.004 50 0 biogenic HGAARN O=C(NCCO)/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 ZINC000001901346 569057348 /nfs/dbraw/zinc/05/73/48/569057348.db2.gz WYHMLGBKCIPZIB-XMHGGMMESA-N 0 0 410.857 3.479 50 0 HGAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)NC1CCCCC1 ZINC000006465934 569057875 /nfs/dbraw/zinc/05/78/75/569057875.db2.gz USMXZPWPHQNHQK-XMMPIXPASA-N 0 0 405.498 3.125 50 0 HGAARN O=C(Oc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000006472091 569058050 /nfs/dbraw/zinc/05/80/50/569058050.db2.gz HTUIZRYNHISILY-UHFFFAOYSA-N 0 0 403.456 3.199 50 0 HGAARN CCn1cc(S(=O)(=O)N(C)c2nc3c(s2)C[C@H](c2ccccc2)CC3)cn1 ZINC000089309874 569058427 /nfs/dbraw/zinc/05/84/27/569058427.db2.gz OCEPTDJHPRPSED-OAHLLOKOSA-N 0 0 402.545 3.457 50 0 HGAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1c(F)cccc1F ZINC000016517558 569058472 /nfs/dbraw/zinc/05/84/72/569058472.db2.gz YIWIQCWJNHBUKE-SFHVURJKSA-N 0 0 402.353 3.411 50 0 HGAARN Cc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1C ZINC000001910819 569058822 /nfs/dbraw/zinc/05/88/22/569058822.db2.gz PVZMKWXREIOGBX-FQEVSTJZSA-N 0 0 408.454 3.106 50 0 HGAARN Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001910807 569058877 /nfs/dbraw/zinc/05/88/77/569058877.db2.gz ODUNPSXOFKJRNP-IBGZPJMESA-N 0 0 408.454 3.188 50 0 HGAARN COc1ccc(CCNC(=O)CSc2nnc3ccc4ccccc4n32)cc1OC ZINC000001924253 569059612 /nfs/dbraw/zinc/05/96/12/569059612.db2.gz OEBGLUAJYVMUEK-UHFFFAOYSA-N 0 0 422.510 3.351 50 0 HGAARN CCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001943703 569059862 /nfs/dbraw/zinc/05/98/62/569059862.db2.gz TUXSGOVLJRYFKR-UHFFFAOYSA-N 0 0 412.486 3.295 50 0 HGAARN CCOC(=O)C1=C(N)Oc2c3cc(OC)ccc3[nH]c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000001321736 569060399 /nfs/dbraw/zinc/06/03/99/569060399.db2.gz UPJWFCPUGNEZHJ-QGZVFWFLSA-N 0 0 422.437 3.215 50 0 biogenic HGAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CCC(C(N)=O)CC3)c(=O)oc1c2C ZINC000002109632 569060474 /nfs/dbraw/zinc/06/04/74/569060474.db2.gz GORGQBBZQMWAGM-UHFFFAOYSA-N 0 0 410.470 3.121 50 0 biogenic HGAARN CCCS(=O)(=O)Oc1ccc(-c2nc3ccccc3o2)cc1CN1CCOCC1 ZINC000035805533 569060675 /nfs/dbraw/zinc/06/06/75/569060675.db2.gz NCGFABMUEQUQMY-UHFFFAOYSA-N 0 0 416.499 3.446 50 0 HGAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1OC ZINC000089464673 569060707 /nfs/dbraw/zinc/06/07/07/569060707.db2.gz IPYYUGBSSBQVKY-UHFFFAOYSA-N 0 0 416.455 3.028 50 0 HGAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)OCCn2ccnc2)c1 ZINC000089470230 569060949 /nfs/dbraw/zinc/06/09/49/569060949.db2.gz CUQIOWWQYKYRFY-UHFFFAOYSA-N 0 0 411.483 3.480 50 0 HGAARN Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)S[C@H](C)C3)no1 ZINC000006530701 569063991 /nfs/dbraw/zinc/06/39/91/569063991.db2.gz ZPFSICAETXATDG-GFCCVEGCSA-N 0 0 414.512 3.296 50 0 HGAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000006531624 569064086 /nfs/dbraw/zinc/06/40/86/569064086.db2.gz GNEXOXNVJVLKBS-ZDUSSCGKSA-N 0 0 413.478 3.069 50 0 HGAARN Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000006541266 569064759 /nfs/dbraw/zinc/06/47/59/569064759.db2.gz HENAYKFULAOBRE-UHFFFAOYSA-N 0 0 408.502 3.302 50 0 HGAARN CC[C@H](C)n1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O ZINC000006542033 569064815 /nfs/dbraw/zinc/06/48/15/569064815.db2.gz BQTJTKAZTVGHOJ-NSHDSACASA-N 0 0 416.528 3.259 50 0 HGAARN COCCNc1nc2nn(-c3ccc(OC)cc3)c(N)c2c(-c2ccc(F)cc2)n1 ZINC000035930025 569066739 /nfs/dbraw/zinc/06/67/39/569066739.db2.gz NNKNJWXWPOMMOM-UHFFFAOYSA-N 0 0 408.437 3.271 50 0 HGAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)c(OC)c1 ZINC000006590874 569068707 /nfs/dbraw/zinc/06/87/07/569068707.db2.gz IPPMRRMXDQDKHL-SFHVURJKSA-N 0 0 407.470 3.465 50 0 HGAARN CCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000035960428 569068733 /nfs/dbraw/zinc/06/87/33/569068733.db2.gz PHWZNBQNBYUTSN-OAQYLSRUSA-N 0 0 409.486 3.250 50 0 HGAARN CCC(=O)N(C)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OC ZINC000035962532 569068852 /nfs/dbraw/zinc/06/88/52/569068852.db2.gz FADZRZIOWMYZKQ-FQEVSTJZSA-N 0 0 409.486 3.250 50 0 HGAARN COc1cccc(C(=O)NCc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)c1 ZINC000064588606 569068932 /nfs/dbraw/zinc/06/89/32/569068932.db2.gz BIYGJLAHTDAKIP-UHFFFAOYSA-N 0 0 406.467 3.065 50 0 HGAARN Cn1c2cc(NC(=O)Nc3cc(F)ccc3F)c(N3CCCC3)cc2n(C)c1=O ZINC000064591166 569069290 /nfs/dbraw/zinc/06/92/90/569069290.db2.gz GLRZSOZOKAPLJT-UHFFFAOYSA-N 0 0 401.417 3.399 50 0 HGAARN COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 ZINC000064593269 569069442 /nfs/dbraw/zinc/06/94/42/569069442.db2.gz RGBOVNDBIRZGCC-UHFFFAOYSA-N 0 0 410.430 3.003 50 0 HGAARN CCc1ccccc1NC(=O)CSc1nnc2c(=O)n(-c3ccccc3)ccn12 ZINC000064593432 569069535 /nfs/dbraw/zinc/06/95/35/569069535.db2.gz AMDSNHXXUGYHCR-UHFFFAOYSA-N 0 0 405.483 3.173 50 0 HGAARN CCOc1ccc(-n2ccn3c(SCC(=O)c4ccc(F)cc4)nnc3c2=O)cc1 ZINC000064593804 569069633 /nfs/dbraw/zinc/06/96/33/569069633.db2.gz VTDXVSBQVHFGJF-UHFFFAOYSA-N 0 0 424.457 3.393 50 0 HGAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1 ZINC000007972341 569069739 /nfs/dbraw/zinc/06/97/39/569069739.db2.gz ZYHKGBXAGQEISZ-UHFFFAOYSA-N 0 0 402.303 3.294 50 0 HGAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C)c1 ZINC000089568830 569070385 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COc1ccc(OC)c([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000036045289 569081937 /nfs/dbraw/zinc/08/19/37/569081937.db2.gz YNSGCEWVTSICSM-LEWJYISDSA-N 0 0 410.514 3.218 50 0 HGAARN CCCCNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cc(OC)ccc1OC ZINC000036045650 569082017 /nfs/dbraw/zinc/08/20/17/569082017.db2.gz XKDYETDZIZHFKO-FCHUYYIVSA-N 0 0 424.541 3.405 50 0 HGAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NC[C@@H](O)c1ccccc1 ZINC000006659046 569083652 /nfs/dbraw/zinc/08/36/52/569083652.db2.gz QCFVKBMQZIGIQM-GOSISDBHSA-N 0 0 413.857 3.164 50 0 HGAARN COc1ccc(OC)c([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000036059411 569084673 /nfs/dbraw/zinc/08/46/73/569084673.db2.gz NRLDXHVFZSWRMH-LEWJYISDSA-N 0 0 414.546 3.449 50 0 HGAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccccc4F)c(=O)n3n2)cc1 ZINC000064710096 569084791 /nfs/dbraw/zinc/08/47/91/569084791.db2.gz DASKLBXKDVJPIQ-UHFFFAOYSA-N 0 0 409.446 3.128 50 0 HGAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NC2CC2)c(OC)c1 ZINC000036059917 569085092 /nfs/dbraw/zinc/08/50/92/569085092.db2.gz UJVFHMCIMYJSBV-NHCUHLMSSA-N 0 0 408.498 3.147 50 0 HGAARN CCN(CC)C(=O)[C@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1 ZINC000036060363 569085249 /nfs/dbraw/zinc/08/52/49/569085249.db2.gz INHFYOIZQHSKTM-VXKWHMMOSA-N 0 0 410.514 3.428 50 0 HGAARN Cc1c(C(=O)CN2C(=O)c3ccccc3O[C@H](C(C)C)C2=O)cnn1-c1ccccc1 ZINC000006662184 569085458 /nfs/dbraw/zinc/08/54/58/569085458.db2.gz DVJXVARCRDESEE-JOCHJYFZSA-N 0 0 417.465 3.449 50 0 HGAARN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747319 569088744 /nfs/dbraw/zinc/08/87/44/569088744.db2.gz ZMZJYPGNXPZICP-IAQYHMDHSA-N 0 0 416.384 3.090 50 0 HGAARN COCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036097150 569090234 /nfs/dbraw/zinc/09/02/34/569090234.db2.gz BWRHINNIHRWJLL-GOSISDBHSA-N 0 0 409.910 3.246 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)c(F)c1 ZINC000064775450 569093489 /nfs/dbraw/zinc/09/34/89/569093489.db2.gz XHKKZPARLRXHRQ-UHFFFAOYSA-N 0 0 411.462 3.071 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COCCNC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc21 ZINC000002196431 569294670 /nfs/dbraw/zinc/29/46/70/569294670.db2.gz WPQTUYYFMPKWDP-UHFFFAOYSA-N 0 0 409.877 3.245 50 0 HGAARN COc1ccc(NC(=O)CSc2nccn(-c3cccc(C)c3)c2=O)c(OC)c1 ZINC000007615762 569295774 /nfs/dbraw/zinc/29/57/74/569295774.db2.gz CKLGVLYGNYAUAM-UHFFFAOYSA-N 0 0 411.483 3.289 50 0 HGAARN COc1ccc(NC(=O)CSc2nccn(-c3cccc(C)c3)c2=O)cc1OC ZINC000007615771 569295778 /nfs/dbraw/zinc/29/57/78/569295778.db2.gz QZLTUNPXBSBPDB-UHFFFAOYSA-N 0 0 411.483 3.289 50 0 HGAARN COCCNC(=O)c1ccccc1Cn1cc(C)s/c1=N\C(=O)c1ccc(C)cc1 ZINC000037428383 569298785 /nfs/dbraw/zinc/29/87/85/569298785.db2.gz QRHKOODOXHEJRU-BZZOAKBMSA-N 0 0 423.538 3.332 50 0 HGAARN Cc1cccc(C(=O)/N=c2\sccn2Cc2ccccc2C(=O)N2CCOCC2)c1 ZINC000037428545 569298874 /nfs/dbraw/zinc/29/88/74/569298874.db2.gz QNRPJVZZTUNDLA-VHXPQNKSSA-N 0 0 421.522 3.120 50 0 HGAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC[C@H](C)C4)C3)ccc21 ZINC000037434108 569299224 /nfs/dbraw/zinc/29/92/24/569299224.db2.gz MCWROQGCTSFYFI-PKOBYXMFSA-N 0 0 417.575 3.320 50 0 HGAARN COc1ccccc1Nc1nc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cs1 ZINC000037435558 569299241 /nfs/dbraw/zinc/29/92/41/569299241.db2.gz UGRALKIADIKOOA-HNNXBMFYSA-N 0 0 414.531 3.370 50 0 HGAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCC(=O)NC[C@H]3CCCO3)nc(=O)c12 ZINC000007672481 569299937 /nfs/dbraw/zinc/29/99/37/569299937.db2.gz BTXNQMPLPUOTSP-DGCLKSJQSA-N 0 0 409.577 3.269 50 0 HGAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc2ccccc2c1 ZINC000007671508 569300038 /nfs/dbraw/zinc/30/00/38/569300038.db2.gz OJPKLUUMKZRRIM-UHFFFAOYSA-N 0 0 417.465 3.130 50 0 HGAARN CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 ZINC000007718172 569302037 /nfs/dbraw/zinc/30/20/37/569302037.db2.gz JMDRXMDHBRDUPN-UHFFFAOYSA-N 0 0 420.506 3.442 50 0 HGAARN O=C(COc1ccccc1)c1ccc2c(c1)N(CCCC(=O)N1CCCC1)C(=O)CO2 ZINC000037512826 569302482 /nfs/dbraw/zinc/30/24/82/569302482.db2.gz LVFBXQQHUGPQLZ-UHFFFAOYSA-N 0 0 422.481 3.076 50 0 HGAARN Cc1cccc(C)c1OCC(=O)c1ccc2c(c1)N([C@@H](C)C(=O)NC(C)C)C(=O)CO2 ZINC000037512540 569302547 /nfs/dbraw/zinc/30/25/47/569302547.db2.gz IAGQPDMEVCNEPQ-KRWDZBQOSA-N 0 0 424.497 3.204 50 0 HGAARN O=C(CCNC(=O)c1ccco1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000007738346 569305149 /nfs/dbraw/zinc/30/51/49/569305149.db2.gz SQMLBRZEBOJXMP-LJQANCHMSA-N 0 0 402.454 3.376 50 0 HGAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NC2CC2)c(OC)c1 ZINC000007741146 569306010 /nfs/dbraw/zinc/30/60/10/569306010.db2.gz JJAWLVBWONZYPQ-NRFANRHFSA-N 0 0 423.513 3.372 50 0 HGAARN COc1cccc(-n2c3ncn(Cc4ccccc4F)c3c(=O)n(CC(C)C)c2=O)c1 ZINC000037559147 569306710 /nfs/dbraw/zinc/30/67/10/569306710.db2.gz VSUAVHPHQDDMFX-UHFFFAOYSA-N 0 0 422.460 3.201 50 0 HGAARN CC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)NCc3ccco3)co2)CC1 ZINC000037600347 569309158 /nfs/dbraw/zinc/30/91/58/569309158.db2.gz UVXSKQLQUYEFPS-UHFFFAOYSA-N 0 0 407.470 3.320 50 0 HGAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000007801427 569311591 /nfs/dbraw/zinc/31/15/91/569311591.db2.gz DDMWVDLUDWXZPA-OAHLLOKOSA-N 0 0 414.506 3.062 50 0 HGAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007806635 569311839 /nfs/dbraw/zinc/31/18/39/569311839.db2.gz IPNVWIKUQKSQNZ-IBGZPJMESA-N 0 0 413.543 3.495 50 0 HGAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCC2 ZINC000007810644 569312190 /nfs/dbraw/zinc/31/21/90/569312190.db2.gz YUDCBTCFZIPLAQ-UHFFFAOYSA-N 0 0 407.470 3.091 50 0 HGAARN COc1ccc(OCCNC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 ZINC000007816135 569312758 /nfs/dbraw/zinc/31/27/58/569312758.db2.gz STIOEKOCTRNYMM-UHFFFAOYSA-N 0 0 413.861 3.012 50 0 HGAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccc(C)cc2C)C1=O ZINC000007823674 569313216 /nfs/dbraw/zinc/31/32/16/569313216.db2.gz JVYBLDFOHJRXQA-HSZRJFAPSA-N 0 0 411.477 3.258 50 0 HGAARN CNC(=O)c1ccc(CN(C)C(=O)/C=C/c2cccc(OC)c2OC(F)F)cc1 ZINC000007848326 569314543 /nfs/dbraw/zinc/31/45/43/569314543.db2.gz WZNGKQPWWMXKTI-VAWYXSNFSA-N 0 0 404.413 3.328 50 0 HGAARN C[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)NC(=O)NC1CCCC1 ZINC000007858297 569314853 /nfs/dbraw/zinc/31/48/53/569314853.db2.gz RIEXPQGULBNAJK-MNOVXSKESA-N 0 0 417.289 3.461 50 0 HGAARN CC(C)OCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007881196 569315148 /nfs/dbraw/zinc/31/51/48/569315148.db2.gz LOSSHEPVLPBCIO-UHFFFAOYSA-N 0 0 402.944 3.060 50 0 HGAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000017636102 569315691 /nfs/dbraw/zinc/31/56/91/569315691.db2.gz DHZMZKLECOTDFT-OAHLLOKOSA-N 0 0 400.887 3.472 50 0 HGAARN CCOC(=O)[C@@](Nc1ccc(C)cc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002230187 569317595 /nfs/dbraw/zinc/31/75/95/569317595.db2.gz ZRCHFFAYMKDTSB-QGZVFWFLSA-N 0 0 416.421 3.207 50 0 HGAARN COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)cc(OC)c1OC(C)=O ZINC000252670837 569319369 /nfs/dbraw/zinc/31/93/69/569319369.db2.gz LTXMWPWTUUCOET-UHFFFAOYSA-N 0 0 424.478 3.016 50 0 HGAARN CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCCC(C)(C)C1)OCO3 ZINC000002233540 569320059 /nfs/dbraw/zinc/32/00/59/569320059.db2.gz YDWCCWMWHNERIC-UHFFFAOYSA-N 0 0 401.463 3.134 50 0 HGAARN C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@@H](O)[C@H]12 ZINC000252695006 569320262 /nfs/dbraw/zinc/32/02/62/569320262.db2.gz SYTZVGPWDLPTPO-KSSLHLJXSA-N 0 0 413.558 3.325 50 0 biogenic HGAARN COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(SC)cc1 ZINC000002247876 569324411 /nfs/dbraw/zinc/32/44/11/569324411.db2.gz SBKARQONJQJSBQ-LRDDRELGSA-N 0 0 406.529 3.247 50 0 HGAARN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000002249184 569324491 /nfs/dbraw/zinc/32/44/91/569324491.db2.gz DUWFNWKLRNNHLA-UHFFFAOYSA-N 0 0 406.920 3.300 50 0 HGAARN COc1ccc(Cc2nc3c4cnn(-c5ccc(C)cc5)c4ncn3n2)cc1OC ZINC000002265451 569325714 /nfs/dbraw/zinc/32/57/14/569325714.db2.gz ITAQVWYUPVJVSZ-UHFFFAOYSA-N 0 0 400.442 3.380 50 0 HGAARN CC(C)(C)C(=O)N[C@@H](N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000043751621 569351968 /nfs/dbraw/zinc/35/19/68/569351968.db2.gz PPEDLGLAIQXYQN-ZOWXZIJZSA-N 0 0 420.768 3.126 50 0 biogenic HGAARN C[C@]12CC(=O)[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000003882024 569356920 /nfs/dbraw/zinc/35/69/20/569356920.db2.gz ZQDVAXPMAQYWLD-WDJPIRFISA-N 0 0 404.503 3.221 50 0 biogenic HGAARN COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)NN2c2ccccc2)cc1OC ZINC000019892995 569357406 /nfs/dbraw/zinc/35/74/06/569357406.db2.gz MXDQPRISUMIULO-FCHUYYIVSA-N 0 0 417.465 3.095 50 0 HGAARN COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)NN2c2ccccc2)cc1OC ZINC000019892990 569357407 /nfs/dbraw/zinc/35/74/07/569357407.db2.gz MXDQPRISUMIULO-FGZHOGPDSA-N 0 0 417.465 3.095 50 0 HGAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCC(c2ccccc2)CC1 ZINC000253394491 569365182 /nfs/dbraw/zinc/36/51/82/569365182.db2.gz CMOAPQHSIBMRCH-OAQYLSRUSA-N 0 0 405.498 3.498 50 0 HGAARN COc1ccc2[nH]cc(CCNC(=O)c3c(C)cc(C)n(C[C@@H]4CCCO4)c3=O)c2c1 ZINC000253401239 569365731 /nfs/dbraw/zinc/36/57/31/569365731.db2.gz FLMUCFSSDHOZHW-IBGZPJMESA-N 0 0 423.513 3.107 50 0 biogenic HGAARN COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc2ccccc2c(=O)c1O ZINC000253412568 569366554 /nfs/dbraw/zinc/36/65/54/569366554.db2.gz RKFODRAMMMKJLW-AWEZNQCLSA-N 0 0 414.410 3.219 50 0 biogenic HGAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)C[C@H](C)O1 ZINC000253417857 569367574 /nfs/dbraw/zinc/36/75/74/569367574.db2.gz QRKUIVMOYPLFHK-BETUJISGSA-N 0 0 408.449 3.292 50 0 HGAARN O=C(NC1CCCC1)C1(N(Cc2cccs2)C(=O)[C@H]2CCC(=O)N2)CCCCC1 ZINC000002457442 569367938 /nfs/dbraw/zinc/36/79/38/569367938.db2.gz RAJSUQFVUJUCGD-GOSISDBHSA-N 0 0 417.575 3.117 50 0 HGAARN Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002290278 569369004 /nfs/dbraw/zinc/36/90/04/569369004.db2.gz LWVRPXJJUXRPCN-MRXNPFEDSA-N 0 0 401.470 3.124 50 0 HGAARN Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCCOc2ccc(Cl)cc2)n1 ZINC000002336393 569375976 /nfs/dbraw/zinc/37/59/76/569375976.db2.gz VGZNBMRVHCQHRQ-UHFFFAOYSA-N 0 0 410.861 3.360 50 0 HGAARN Cn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)c2ccccc21 ZINC000002354850 569385188 /nfs/dbraw/zinc/38/51/88/569385188.db2.gz DWGMFNIAJPILCC-ZHZULCJRSA-N 0 0 423.900 3.461 50 0 HGAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)c(Cl)c2)C1=O)c1cccs1 ZINC000002372170 569389134 /nfs/dbraw/zinc/38/91/34/569389134.db2.gz DBDXBXZYYSTDIH-AWEZNQCLSA-N 0 0 421.759 3.490 50 0 HGAARN O=C1C[C@H](c2ccc(Br)cc2)c2c(=O)[nH]c(N3CCCCC3)nc2N1 ZINC000585655760 569389793 /nfs/dbraw/zinc/38/97/93/569389793.db2.gz FRNIYZGHAWNOGX-CYBMUJFWSA-N 0 0 403.280 3.409 50 0 HGAARN CCOc1ccccc1C(=O)N1CCC(C(=O)NCCc2csc(C)n2)CC1 ZINC000013360016 569389829 /nfs/dbraw/zinc/38/98/29/569389829.db2.gz ZYYVYHRYHYVHFN-UHFFFAOYSA-N 0 0 401.532 3.061 50 0 HGAARN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000055131913 569390291 /nfs/dbraw/zinc/39/02/91/569390291.db2.gz YGIPDTOIXGAOIL-QGZVFWFLSA-N 0 0 408.470 3.242 50 0 HGAARN CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccccn2)n1Cc1ccccc1F ZINC000055166386 569391743 /nfs/dbraw/zinc/39/17/43/569391743.db2.gz JGMBHSGEISTCQA-UHFFFAOYSA-N 0 0 416.522 3.280 50 0 HGAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccccc3OCC)n2N)c1 ZINC000002386771 569392242 /nfs/dbraw/zinc/39/22/42/569392242.db2.gz JTEUEEWRXPONST-UHFFFAOYSA-N 0 0 413.503 3.187 50 0 HGAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccc2c(c1)OCO2 ZINC000002394733 569394241 /nfs/dbraw/zinc/39/42/41/569394241.db2.gz GHXRECHPGWATQJ-UHFFFAOYSA-N 0 0 412.398 3.343 50 0 HGAARN COc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)c(OC)c1 ZINC000002398492 569394701 /nfs/dbraw/zinc/39/47/01/569394701.db2.gz NEGRJQUHJBDPQJ-UHFFFAOYSA-N 0 0 419.894 3.060 50 0 HGAARN Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 ZINC000002412138 569396967 /nfs/dbraw/zinc/39/69/67/569396967.db2.gz BGRMFHLCLVIADV-GFCCVEGCSA-N 0 0 414.512 3.240 50 0 HGAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000257199553 569397676 /nfs/dbraw/zinc/39/76/76/569397676.db2.gz WJRIEECNDNWFBT-QGZVFWFLSA-N 0 0 422.872 3.431 50 0 HGAARN CC1(C)Cc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c23)CO1 ZINC000002434973 569399551 /nfs/dbraw/zinc/39/95/51/569399551.db2.gz SJHFAFSQTOZDML-UHFFFAOYSA-N 0 0 404.517 3.126 50 0 HGAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1OC ZINC000012378585 569400709 /nfs/dbraw/zinc/40/07/09/569400709.db2.gz KWGQYMNAGIRSQM-ATVHPVEESA-N 0 0 404.488 3.143 50 0 HGAARN O=c1/c(=C/c2cccc(Br)c2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002445636 569401298 /nfs/dbraw/zinc/40/12/98/569401298.db2.gz BXDSVKOXONFJKM-ZROIWOOFSA-N 0 0 402.248 3.267 50 0 HGAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCc1cn2ccccc2n1 ZINC000007944440 569402234 /nfs/dbraw/zinc/40/22/34/569402234.db2.gz FUESYWDIHFDNCH-UHFFFAOYSA-N 0 0 418.526 3.260 50 0 HGAARN O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccc(F)cc1)NC(=O)c1ccco1 ZINC000037866190 569402992 /nfs/dbraw/zinc/40/29/92/569402992.db2.gz OYRXKNATPKCMLQ-RGEXLXHISA-N 0 0 418.428 3.425 50 0 HGAARN CCOC(=O)C1=NO[C@@H](CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)C1 ZINC000012859388 569404185 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571131357 /nfs/dbraw/zinc/13/13/57/571131357.db2.gz VSPQRDAZVJXTPP-FQEVSTJZSA-N 0 0 420.469 3.263 50 0 biogenic HGAARN CN1CCCN(C(=O)CSc2ccc3c(c2)OCCO3)c2nc3ccccc3nc21 ZINC000039980493 571135975 /nfs/dbraw/zinc/13/59/75/571135975.db2.gz YYSLNQNAKITCSX-UHFFFAOYSA-N 0 0 422.510 3.366 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3ccc(OC)c(F)c3)n2c1 ZINC000040023478 571139393 /nfs/dbraw/zinc/13/93/93/571139393.db2.gz PPEQYXLWOUBMAV-UHFFFAOYSA-N 0 0 424.523 3.200 50 0 HGAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000008886690 571141359 /nfs/dbraw/zinc/14/13/59/571141359.db2.gz JRHBKHOLHOKXMV-YDHLFZDLSA-N 0 0 402.524 3.028 50 0 HGAARN O=C(c1cccc2ccccc21)N1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000040062589 571147629 /nfs/dbraw/zinc/14/76/29/571147629.db2.gz VINWIEQDORDJLR-QFIPXVFZSA-N 0 0 404.510 3.175 50 0 HGAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3c4ccccc4C[C@H]3C)cc(C(C)C)nc21 ZINC000040063258 571148013 /nfs/dbraw/zinc/14/80/13/571148013.db2.gz NJCWLTAHBATLEC-CQSZACIVSA-N 0 0 406.486 3.210 50 0 HGAARN Cc1c([C@@H](C)NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cnn1-c1ccc(F)cc1 ZINC000040071066 571151748 /nfs/dbraw/zinc/15/17/48/571151748.db2.gz ACMZXPCZYNHFSV-CQSZACIVSA-N 0 0 420.444 3.464 50 0 HGAARN Cc1cc2nc(Sc3nnc(N4CCOCC4)n3C3CC3)c3ccccc3n2n1 ZINC000040071564 571152201 /nfs/dbraw/zinc/15/22/01/571152201.db2.gz TUTPNABQQBCZPO-UHFFFAOYSA-N 0 0 407.503 3.105 50 0 HGAARN CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008917067 571153007 /nfs/dbraw/zinc/15/30/07/571153007.db2.gz RKDUWBXRFDRQCQ-OXJNMPFZSA-N 0 0 423.490 3.088 50 0 HGAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000008918810 571154653 /nfs/dbraw/zinc/15/46/53/571154653.db2.gz DEWUMCJOOGWYPL-SFHVURJKSA-N 0 0 412.881 3.099 50 0 HGAARN CCn1c2ccc(C(=O)N3CCC[C@H]3c3nnc4n3CCCCC4)cc2nc(C)c1=O ZINC000040080294 571155511 /nfs/dbraw/zinc/15/55/11/571155511.db2.gz ALCPZXUKVWHLMV-IBGZPJMESA-N 0 0 420.517 3.020 50 0 HGAARN O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CCN(Cc2cn3ccccc3n2)CC1 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CCSc1nc2c(cnn2CCNC(=O)Cc2cccs2)c(NCC(C)C)n1 ZINC000008948995 571172779 /nfs/dbraw/zinc/17/27/79/571172779.db2.gz MUGHWKNROLOVCD-UHFFFAOYSA-N 0 0 418.592 3.427 50 0 HGAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000040117789 571174783 /nfs/dbraw/zinc/17/47/83/571174783.db2.gz GRYVBZJRCYMBMN-FKIZINRSSA-N 0 0 401.850 3.109 50 0 HGAARN O=C(COc1ccccc1CNC(=O)c1ccc(F)cc1Cl)NC[C@@H]1CCCO1 ZINC000040119473 571175521 /nfs/dbraw/zinc/17/55/21/571175521.db2.gz XSMFPABZTOCNTJ-INIZCTEOSA-N 0 0 420.868 3.083 50 0 HGAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000040122019 571178047 /nfs/dbraw/zinc/17/80/47/571178047.db2.gz VYPRLSCICMWBEU-QGZVFWFLSA-N 0 0 418.415 3.241 50 0 HGAARN Cn1cc(C(=O)NC2CCN(C(=O)CCc3ccc(-c4ccccc4F)o3)CC2)cn1 ZINC000040122201 571178200 /nfs/dbraw/zinc/17/82/00/571178200.db2.gz WPULEPRNKBNIDG-UHFFFAOYSA-N 0 0 424.476 3.173 50 0 HGAARN C[C@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccc(OCc3ccccc3)cc1)CS2 ZINC000040122125 571178261 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CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000012864313 558481599 /nfs/dbraw/zinc/48/15/99/558481599.db2.gz RHTNYDFPDZJFFQ-UHFFFAOYSA-N 0 0 411.477 3.455 50 0 HGAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000022384088 558485065 /nfs/dbraw/zinc/48/50/65/558485065.db2.gz SICZVQNZGGOYGB-UHFFFAOYSA-N 0 0 407.392 3.228 50 0 HGAARN COc1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(F)F ZINC000022425097 558488805 /nfs/dbraw/zinc/48/88/05/558488805.db2.gz UECFZQLXJFKFMD-UHFFFAOYSA-N 0 0 415.437 3.059 50 0 HGAARN C[C@@H](NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000012971273 558488840 /nfs/dbraw/zinc/48/88/40/558488840.db2.gz NVFDLYYOWPPCIA-MRXNPFEDSA-N 0 0 406.452 3.490 50 0 HGAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000012971429 558488866 /nfs/dbraw/zinc/48/88/66/558488866.db2.gz RIBPUAPBKLNVBT-GFCCVEGCSA-N 0 0 416.330 3.493 50 0 HGAARN C[C@@H](OC(=O)CCNC(=O)c1ccc(F)cc1F)C(=O)c1c[nH]c2ccccc12 ZINC000022443964 558490011 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CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000025812228 558650793 /nfs/dbraw/zinc/65/07/93/558650793.db2.gz YTBWRHAJIKJMSG-LJQANCHMSA-N 0 0 421.519 3.456 50 0 HGAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@@H]1COc2ccccc2O1 ZINC000014254735 558651096 /nfs/dbraw/zinc/65/10/96/558651096.db2.gz PDTOROJZEQMHMY-SJKOYZFVSA-N 0 0 404.875 3.099 50 0 HGAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1(C)C ZINC000025917954 558652152 /nfs/dbraw/zinc/65/21/52/558652152.db2.gz OPNLNGKTVGYHEN-UXHICEINSA-N 0 0 404.576 3.456 50 0 HGAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000025981979 558653080 /nfs/dbraw/zinc/65/30/80/558653080.db2.gz FMWCFCUEWVQPHG-HXUWFJFHSA-N 0 0 419.403 3.097 50 0 HGAARN Nn1c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1C1CC1 ZINC000026016334 558653564 /nfs/dbraw/zinc/65/35/64/558653564.db2.gz DEKDDACNCJJRQW-UHFFFAOYSA-N 0 0 408.459 3.002 50 0 HGAARN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(N2CCOCC2)cc1 ZINC000014400180 558654015 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/nfs/dbraw/zinc/69/62/72/568696272.db2.gz BOWCSJOKRDCOTR-ZDUSSCGKSA-N 0 0 401.850 3.299 50 0 HGAARN COC(=O)C[C@H](c1c(Cc2ccc(OC)cc2)[nH][nH]c1=O)c1cccc2nccnc21 ZINC000096117850 568697581 /nfs/dbraw/zinc/69/75/81/568697581.db2.gz HQERUPJQZXKWFE-KRWDZBQOSA-N 0 0 418.453 3.353 50 0 HGAARN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=C2SCC(=O)N21 ZINC000226818232 568697816 /nfs/dbraw/zinc/69/78/16/568697816.db2.gz WMBOGWGCXQBKDB-KRWDZBQOSA-N 0 0 404.488 3.307 50 0 HGAARN COC(=O)c1ccc(NC(=O)CN2c3cccnc3Oc3ccccc3C2=O)cc1 ZINC000096118887 568698606 /nfs/dbraw/zinc/69/86/06/568698606.db2.gz XMHOWRBGDYBEMH-UHFFFAOYSA-N 0 0 403.394 3.259 50 0 HGAARN Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 ZINC000096119563 568698866 /nfs/dbraw/zinc/69/88/66/568698866.db2.gz JWKKTOGZCYXGPB-UHFFFAOYSA-N 0 0 411.321 3.385 50 0 HGAARN O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2cccs2)cc1C1CC1 ZINC000096121610 568699722 /nfs/dbraw/zinc/69/97/22/568699722.db2.gz GNDHLZRJZHSLNK-UHFFFAOYSA-N 0 0 408.483 3.213 50 0 HGAARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122082 568699946 /nfs/dbraw/zinc/69/99/46/568699946.db2.gz PQTCKBLRMYRCDN-UHFFFAOYSA-N 0 0 401.406 3.057 50 0 HGAARN O=C(c1cccc(OCc2ccccc2)c1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122091 568700027 /nfs/dbraw/zinc/70/00/27/568700027.db2.gz FLTLNNLNOCWVJH-UHFFFAOYSA-N 0 0 411.479 3.298 50 0 HGAARN CN1C(=O)CC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000096182566 568702712 /nfs/dbraw/zinc/70/27/12/568702712.db2.gz JVEWLUBLUCCFAF-GGAORHGYSA-N 0 0 409.505 3.080 50 0 HGAARN COc1cc(/C=C\C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)ccc1OC(C)C ZINC000096188118 568703294 /nfs/dbraw/zinc/70/32/94/568703294.db2.gz SHXRTFLCBUXUAS-NBEHIINDSA-N 0 0 404.532 3.020 50 0 HGAARN COc1ccc(-c2nn(CCCC(=O)Nc3cccc(OC)c3)c(=O)cc2OC)cc1 ZINC000096193031 568703518 /nfs/dbraw/zinc/70/35/18/568703518.db2.gz BCCLASQEDOGDMC-UHFFFAOYSA-N 0 0 423.469 3.355 50 0 HGAARN COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCO3)[nH][nH]c1=O)c1ccc(OC)cc1 ZINC000096222108 568705445 /nfs/dbraw/zinc/70/54/45/568705445.db2.gz KZIHOQLJXZNMBG-SFHVURJKSA-N 0 0 408.454 3.345 50 0 biogenic HGAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCO2)c1ccc(OC)c(O)c1 ZINC000096222327 568705847 /nfs/dbraw/zinc/70/58/47/568705847.db2.gz PHZIDNJVYUJKEY-INIZCTEOSA-N 0 0 424.453 3.050 50 0 biogenic HGAARN CC(C)n1nnc(-c2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)n1 ZINC000096223032 568706088 /nfs/dbraw/zinc/70/60/88/568706088.db2.gz WTOZFFZBPIMYNI-RMKNXTFCSA-N 0 0 416.529 3.392 50 0 HGAARN O=C(CCCn1nnc2ccccc2c1=O)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000096223081 568706115 /nfs/dbraw/zinc/70/61/15/568706115.db2.gz VFBGFIPJLOCBRQ-FQEVSTJZSA-N 0 0 401.470 3.247 50 0 HGAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1O ZINC000096232204 568708039 /nfs/dbraw/zinc/70/80/39/568708039.db2.gz CLHUUXOTLYYHHH-YVEFUNNKSA-N 0 0 419.503 3.208 50 0 HGAARN Cc1c(NC(=O)CCCc2nc(-c3ccco3)no2)c(=O)n(-c2ccccc2)n1C ZINC000021524097 568708832 /nfs/dbraw/zinc/70/88/32/568708832.db2.gz BPGHTCZXEAUIRU-UHFFFAOYSA-N 0 0 407.430 3.089 50 0 HGAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)NCc3ccccc3F)CC1)CCO2 ZINC000021526345 568709463 /nfs/dbraw/zinc/70/94/63/568709463.db2.gz WPXGKIITPQVZPZ-UHFFFAOYSA-N 0 0 411.477 3.481 50 0 HGAARN COCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526580 568709467 /nfs/dbraw/zinc/70/94/67/568709467.db2.gz YEGUJCGXISDRBA-JOCHJYFZSA-N 0 0 401.507 3.324 50 0 HGAARN Cn1c(=O)c2c(nc1N1CCN(C(=O)C3CCCCC3)CC1)sc1c2CCCC1 ZINC000012406590 568711440 /nfs/dbraw/zinc/71/14/40/568711440.db2.gz SJBADHFUFWPSIK-UHFFFAOYSA-N 0 0 414.575 3.103 50 0 HGAARN Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NCCc3ccco3)c(=O)c12 ZINC000021534923 568711770 /nfs/dbraw/zinc/71/17/70/568711770.db2.gz YRXRBJWYIAQXCS-UHFFFAOYSA-N 0 0 404.470 3.146 50 0 HGAARN Cc1cccc(NC(=O)CSc2nc(-c3cccc(F)c3)nc3cc(=O)[nH]n32)c1 ZINC000021537253 568712541 /nfs/dbraw/zinc/71/25/41/568712541.db2.gz IRBVOELJTIHMGY-UHFFFAOYSA-N 0 0 409.446 3.263 50 0 HGAARN COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000855083 568712921 /nfs/dbraw/zinc/71/29/21/568712921.db2.gz OCQHWMNQQWGBHO-IBGZPJMESA-N 0 0 409.529 3.457 50 0 HGAARN COCCNC(=O)c1ccc(Cn2nc(-n3cccc3)c3c2nc(C)cc3C)cc1 ZINC000021540065 568713555 /nfs/dbraw/zinc/71/35/55/568713555.db2.gz DRZMZGSNBKEVML-UHFFFAOYSA-N 0 0 403.486 3.263 50 0 HGAARN C[C@H](OC[C@@H](O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(Cl)cc1 ZINC000229646347 568714843 /nfs/dbraw/zinc/71/48/43/568714843.db2.gz WSPMRBQEYDSYBB-VELBRHGASA-N 0 0 414.889 3.172 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)cc2)C[C@H](C)O1 ZINC000229901932 568715811 /nfs/dbraw/zinc/71/58/11/568715811.db2.gz KTGJVSWFPZDTEU-TWFHAPMSSA-N 0 0 420.575 3.279 50 0 HGAARN CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000229986128 568716399 /nfs/dbraw/zinc/71/63/99/568716399.db2.gz VCEHUQRNYQNTRG-GVDBMIGSSA-N 0 0 401.260 3.316 50 0 HGAARN COc1ccc(C(=O)CSc2nccn(-c3cccc(F)c3)c2=O)cc1OC ZINC000012415271 568717454 /nfs/dbraw/zinc/71/74/54/568717454.db2.gz FGDZUAVXHGIKJD-UHFFFAOYSA-N 0 0 400.431 3.364 50 0 HGAARN COCCN(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)c1ccco1 ZINC000096293799 568721930 /nfs/dbraw/zinc/72/19/30/568721930.db2.gz IRPWDWOGXIEAEB-UHFFFAOYSA-N 0 0 420.263 3.423 50 0 HGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](S(=O)(=O)c1ccc(Br)cc1)C(=O)N2 ZINC000012438046 568723108 /nfs/dbraw/zinc/72/31/08/568723108.db2.gz FEAIIMRPTFULDF-LESCRADOSA-N 0 0 422.300 3.004 50 0 HGAARN COc1ccc(OC)c(NC(=O)[C@@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)c1 ZINC000096309509 568723894 /nfs/dbraw/zinc/72/38/94/568723894.db2.gz LHUGDGPZZVVDHT-KRWDZBQOSA-N 0 0 422.547 3.017 50 0 biogenic HGAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c1N ZINC000021651901 568729514 /nfs/dbraw/zinc/72/95/14/568729514.db2.gz JQAUDVFDUYVBQN-UHFFFAOYSA-N 0 0 412.877 3.257 50 0 HGAARN C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000239667404 568729775 /nfs/dbraw/zinc/72/97/75/568729775.db2.gz BPVLJGDYCTUGFX-CABCVRRESA-N 0 0 420.460 3.229 50 0 HGAARN CC(C)OCCCNC(=O)CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12 ZINC000096322428 568730309 /nfs/dbraw/zinc/73/03/09/568730309.db2.gz GNOMTZGAVMLCNB-UHFFFAOYSA-N 0 0 424.480 3.047 50 0 HGAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)NC5CC5)n4ccn3n2)cc1 ZINC000096322415 568730351 /nfs/dbraw/zinc/73/03/51/568730351.db2.gz IEPALFUSDHVDTN-UHFFFAOYSA-N 0 0 418.501 3.434 50 0 HGAARN Cc1cc(C)cc(NC(=O)Cn2nc3c4cc(-c5ccccc5)nn4ccn3c2=O)c1 ZINC000096322465 568730498 /nfs/dbraw/zinc/73/04/98/568730498.db2.gz XYXZQMWHORPHEO-UHFFFAOYSA-N 0 0 412.453 3.066 50 0 HGAARN CCc1ccc(CNS(=O)(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)s1 ZINC000241586419 568731548 /nfs/dbraw/zinc/73/15/48/568731548.db2.gz OVVKFYRMZLCNEC-SFHVURJKSA-N 0 0 408.545 3.141 50 0 HGAARN Cc1ccccc1-c1cc(NC(=O)Nc2cc(Br)cn(C)c2=O)[nH]n1 ZINC000242302145 568732697 /nfs/dbraw/zinc/73/26/97/568732697.db2.gz YPWVMHXBLIUPRK-UHFFFAOYSA-N 0 0 402.252 3.490 50 0 HGAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc1Cl ZINC000021657449 568733042 /nfs/dbraw/zinc/73/30/42/568733042.db2.gz CDHIBPUINQZQJH-ZDUSSCGKSA-N 0 0 401.850 3.299 50 0 HGAARN Cc1cc(NC(=O)CSCC(=O)O[C@H](C)C(=O)c2cc(C)c(C)cc2C)no1 ZINC000005786793 568733201 /nfs/dbraw/zinc/73/32/01/568733201.db2.gz MXWFUEFVOUTXFZ-OAHLLOKOSA-N 0 0 404.488 3.395 50 0 HGAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4ccc(C)c(F)c4)CC3)ccc2=O)cc1C ZINC000096324204 568733386 /nfs/dbraw/zinc/73/33/86/568733386.db2.gz DGZQWYNWLDBPCO-UHFFFAOYSA-N 0 0 420.488 3.259 50 0 HGAARN C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000096324612 568734010 /nfs/dbraw/zinc/73/40/10/568734010.db2.gz FHGYEOPKBVHTRK-MRXNPFEDSA-N 0 0 415.497 3.302 50 0 HGAARN Cn1c2c(cn3c2[C@@H](c2c(F)cccc2Cl)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659194 568735181 /nfs/dbraw/zinc/73/51/81/568735181.db2.gz IHICVRUJJIRXDR-QGZVFWFLSA-N 0 0 410.836 3.335 50 0 HGAARN COc1ccc(CCC(=O)N[C@@H](CC(C)C)C(=O)N=c2[nH]c3ccccc3[nH]2)cc1 ZINC000096332435 568736286 /nfs/dbraw/zinc/73/62/86/568736286.db2.gz LBGODFSWMLOWSE-FQEVSTJZSA-N 0 0 408.502 3.096 50 0 HGAARN CC[C@@H](C)[C@@H](NC(=O)CCc1ccc(OC)cc1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000096332499 568736475 /nfs/dbraw/zinc/73/64/75/568736475.db2.gz LVRVSQOJIGPNOQ-QVKFZJNVSA-N 0 0 408.502 3.096 50 0 HGAARN O=C(NC1CCCCC1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000096343982 568737190 /nfs/dbraw/zinc/73/71/90/568737190.db2.gz OOHSUOBYVGIUQF-NSHDSACASA-N 0 0 405.296 3.127 50 0 HGAARN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000096350167 568738472 /nfs/dbraw/zinc/73/84/72/568738472.db2.gz DTACLVJRNIEJJD-OAHLLOKOSA-N 0 0 413.481 3.289 50 0 HGAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000884585 568738532 /nfs/dbraw/zinc/73/85/32/568738532.db2.gz HNNHFVPIBGBONM-CZUORRHYSA-N 0 0 422.411 3.417 50 0 HGAARN Cc1ccc2oc(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc2c1 ZINC000096358526 568738721 /nfs/dbraw/zinc/73/87/21/568738721.db2.gz LRECBWWZZKADMF-UHFFFAOYSA-N 0 0 423.897 3.435 50 0 HGAARN COc1ccc(CCNC(=O)c2ccc3[nH]c4c(c3c2)CN(C(C)=O)CC4)cc1OC ZINC000096363724 568739476 /nfs/dbraw/zinc/73/94/76/568739476.db2.gz SMUXBSGHKDBNKE-UHFFFAOYSA-N 0 0 421.497 3.062 50 0 HGAARN Cc1ccccc1S(=O)(=O)N1CCC(c2nc(CNC(=O)C3CC3)cs2)CC1 ZINC000096372689 568740029 /nfs/dbraw/zinc/74/00/29/568740029.db2.gz LGMXMZMHKDVANY-UHFFFAOYSA-N 0 0 419.572 3.046 50 0 HGAARN CC(=O)NCCc1csc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 ZINC000096372880 568740313 /nfs/dbraw/zinc/74/03/13/568740313.db2.gz LWMXJPSDMJWAGE-UHFFFAOYSA-N 0 0 405.951 3.424 50 0 HGAARN CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 ZINC000096373068 568740532 /nfs/dbraw/zinc/74/05/32/568740532.db2.gz MDPTXTNBBPONAG-INIZCTEOSA-N 0 0 403.523 3.300 50 0 HGAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)N1CCOCC1 ZINC000000890838 568740727 /nfs/dbraw/zinc/74/07/27/568740727.db2.gz JDIKKTLBVMZZGC-UHFFFAOYSA-N 0 0 401.385 3.252 50 0 HGAARN CCc1nc2ccc(C(=O)N3CC(S(=O)(=O)c4ccc(OC)cc4)C3)cc2s1 ZINC000096377979 568740822 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O=c1c2nnn(Cc3ccc(F)cc3)c2ncn1Cc1ccc(C(F)(F)F)cc1 ZINC000004139811 568946131 /nfs/dbraw/zinc/94/61/31/568946131.db2.gz PBTVQAWYDRORLC-UHFFFAOYSA-N 0 0 403.339 3.243 50 0 HGAARN COc1ccc(-c2noc(COC(=O)c3cc(=O)[nH]c4ccccc43)n2)cc1OC ZINC000012763880 568947101 /nfs/dbraw/zinc/94/71/01/568947101.db2.gz XDSKFRWBXZUZPF-UHFFFAOYSA-N 0 0 407.382 3.365 50 0 HGAARN CC(=O)[C@@H]1[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004162720 568947511 /nfs/dbraw/zinc/94/75/11/568947511.db2.gz CVDMCJKLBADQIE-ZIFCJYIRSA-N 0 0 408.376 3.076 50 0 HGAARN O=C(NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1)c1cnccn1 ZINC000084405284 568948592 /nfs/dbraw/zinc/94/85/92/568948592.db2.gz BFANXDZMOAMESL-UHFFFAOYSA-N 0 0 403.280 3.311 50 0 HGAARN Nc1ccc(Cl)nc1C(=O)OCC(=O)Nc1c(F)cc(F)cc1Br ZINC000084425343 568948798 /nfs/dbraw/zinc/94/87/98/568948798.db2.gz CGGIVLOTTPKHOP-UHFFFAOYSA-N 0 0 420.597 3.153 50 0 HGAARN O=C(CCSc1ccc(Br)cc1)NCCCOC[C@H]1CCOC1 ZINC000084419295 568948897 /nfs/dbraw/zinc/94/88/97/568948897.db2.gz 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CC(C)NC(=O)Nc1ccc(C(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000059368685 568952156 /nfs/dbraw/zinc/95/21/56/568952156.db2.gz XAQVCVMSDVXXON-UHFFFAOYSA-N 0 0 421.501 3.337 50 0 HGAARN O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000012772208 568952373 /nfs/dbraw/zinc/95/23/73/568952373.db2.gz ACEOMJHSEQBUKY-KRWDZBQOSA-N 0 0 415.342 3.345 50 0 HGAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)o1 ZINC000012773008 568952570 /nfs/dbraw/zinc/95/25/70/568952570.db2.gz JHKHMSAZQXXEMH-DOTOQJQBSA-N 0 0 420.506 3.008 50 0 HGAARN CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccccc2F)nnc1N1CCOCC1 ZINC000012774175 568953460 /nfs/dbraw/zinc/95/34/60/568953460.db2.gz NNDOQHYHACZZCK-CQSZACIVSA-N 0 0 407.515 3.029 50 0 HGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)cc1 ZINC000004249108 568953905 /nfs/dbraw/zinc/95/39/05/568953905.db2.gz JOTPMZYYEQQVPN-UHFFFAOYSA-N 0 0 414.512 3.415 50 0 HGAARN Cc1ccc(CCC2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000012775245 568953976 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Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NCc1ccc(OC(C)C)cc1 ZINC000015669351 568960932 /nfs/dbraw/zinc/96/09/32/568960932.db2.gz DYNGPATTYFTVIS-UHFFFAOYSA-N 0 0 413.499 3.011 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1OC ZINC000004315015 568961554 /nfs/dbraw/zinc/96/15/54/568961554.db2.gz WDOWNOPUWDSCLK-UHFFFAOYSA-N 0 0 401.488 3.148 50 0 HGAARN Cc1ccc(CN(c2nc3nc(C)cc(C)n3n2)S(=O)(=O)c2ccccc2)cc1 ZINC000015671404 568962018 /nfs/dbraw/zinc/96/20/18/568962018.db2.gz STCOOOMKSGVAOW-UHFFFAOYSA-N 0 0 407.499 3.445 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1ccccc1F ZINC000007974113 568963028 /nfs/dbraw/zinc/96/30/28/568963028.db2.gz RWLDGZGFIVPZKK-UHFFFAOYSA-N 0 0 405.495 3.359 50 0 HGAARN CC[C@@H](C(=O)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccccc1 ZINC000015674522 568963074 /nfs/dbraw/zinc/96/30/74/568963074.db2.gz VNZNTTPJSQZOJQ-OAHLLOKOSA-N 0 0 408.549 3.235 50 0 HGAARN Cc1nc2ccc(C(=O)OCC(=O)c3cc4c5c(c3)CCCN5C(=O)C4)cc2nc1C ZINC000007976010 568963042 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Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000007988484 568965812 /nfs/dbraw/zinc/96/58/12/568965812.db2.gz VDUFUDNTMWXJKW-UHFFFAOYSA-N 0 0 413.499 3.081 50 0 HGAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc(Cl)cc1Cl ZINC000007988784 568965940 /nfs/dbraw/zinc/96/59/40/568965940.db2.gz PATUMSAZSIBALF-IBGZPJMESA-N 0 0 405.237 3.406 50 0 HGAARN CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC ZINC000007988965 568966081 /nfs/dbraw/zinc/96/60/81/568966081.db2.gz VBASYQKAZWVUAJ-UHFFFAOYSA-N 0 0 406.504 3.295 50 0 HGAARN CCc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1 ZINC000015679302 568966252 /nfs/dbraw/zinc/96/62/52/568966252.db2.gz VFSJERPMNFSKTM-UHFFFAOYSA-N 0 0 418.497 3.326 50 0 HGAARN Cc1cc(-c2csc(NC(=O)Cn3cnnn3)n2)c(C)n1CCc1ccccc1 ZINC000007989284 568966255 /nfs/dbraw/zinc/96/62/55/568966255.db2.gz AOXVFZYSVMLYEH-UHFFFAOYSA-N 0 0 407.503 3.096 50 0 HGAARN COc1ccc(NC(=O)CN2c3ccccc3Oc3ncccc3C2=O)c(OC)c1 ZINC000015679882 568966847 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50 0 HGAARN O=C(c1cc2ccccc2o1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012429563 558404440 /nfs/dbraw/zinc/40/44/40/558404440.db2.gz YULCYMZKQUPIKW-CQSZACIVSA-N 0 0 404.513 3.325 50 0 HGAARN CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccco2)n1Cc1ccccc1F ZINC000012433472 558407197 /nfs/dbraw/zinc/40/71/97/558407197.db2.gz LPDKUAHPAMKSBD-UHFFFAOYSA-N 0 0 405.495 3.478 50 0 HGAARN O=C(C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc(C(F)(F)F)c1 ZINC000020733459 558407303 /nfs/dbraw/zinc/40/73/03/558407303.db2.gz MIKDFHRWZNCDIB-AWEZNQCLSA-N 0 0 401.348 3.486 50 0 HGAARN CNS(=O)(=O)c1cc(-c2ccc(Nc3ccc(NC(C)=O)cc3)nn2)ccc1C ZINC000020734731 558407464 /nfs/dbraw/zinc/40/74/64/558407464.db2.gz FLBGHTRXTBTJDI-UHFFFAOYSA-N 0 0 411.487 3.062 50 0 HGAARN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)CCn2ccnc2C)C1 ZINC000012434006 558407830 /nfs/dbraw/zinc/40/78/30/558407830.db2.gz VPMSJCFIOZATBY-HSZRJFAPSA-N 0 0 413.518 3.005 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000020762306 558411435 /nfs/dbraw/zinc/41/14/35/558411435.db2.gz XMPBEVQAIMYIEF-UHFFFAOYSA-N 0 0 404.470 3.430 50 0 biogenic HGAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3[nH]nc4c3CCCC4)C2)cc1F ZINC000012447252 558414580 /nfs/dbraw/zinc/41/45/80/558414580.db2.gz QEHHUPRIGXFGSG-MRXNPFEDSA-N 0 0 413.493 3.490 50 0 HGAARN CN(CCc1ccccn1)c1ncccc1CNC(=O)c1coc2c1C(=O)CCC2 ZINC000012448106 558415192 /nfs/dbraw/zinc/41/51/92/558415192.db2.gz GWBZYEQCYOBDKU-UHFFFAOYSA-N 0 0 404.470 3.198 50 0 HGAARN CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000020824037 558416713 /nfs/dbraw/zinc/41/67/13/558416713.db2.gz XHMDBIIRUCIRTM-HXUWFJFHSA-N 0 0 404.470 3.393 50 0 HGAARN CC[C@@H](Nc1ncnc2sc(C(=O)N3CCNC(=O)C3)c(C)c21)c1cccs1 ZINC000012455025 558416851 /nfs/dbraw/zinc/41/68/51/558416851.db2.gz VNWPQRNDAMZRLR-GFCCVEGCSA-N 0 0 415.544 3.196 50 0 HGAARN COc1ccc(Br)cc1C(=O)CCC(=O)OCC(=O)N[C@H](C)C(C)C ZINC000020834159 558417025 /nfs/dbraw/zinc/41/70/25/558417025.db2.gz VLBAGDLMASDVNF-GFCCVEGCSA-N 0 0 414.296 3.125 50 0 HGAARN CCn1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc2ccccc21 ZINC000072003502 558417552 /nfs/dbraw/zinc/41/75/52/558417552.db2.gz LGVWWQCUVVAVIS-UHFFFAOYSA-N 0 0 413.499 3.404 50 0 HGAARN Cc1ccccc1C(=O)N[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000012463027 558419678 /nfs/dbraw/zinc/41/96/78/558419678.db2.gz MUJKYIZCVHUAIO-OAHLLOKOSA-N 0 0 406.813 3.245 50 0 HGAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC ZINC000012469083 558421243 /nfs/dbraw/zinc/42/12/43/558421243.db2.gz HYLRPGJCTDOBLT-HXUWFJFHSA-N 0 0 406.442 3.285 50 0 HGAARN COc1ccc(CCc2nnc(CCC(=O)N3CCC([C@@H](O)C(C)C)CC3)o2)cc1 ZINC000012470852 558421783 /nfs/dbraw/zinc/42/17/83/558421783.db2.gz SYRURNYQMBVKMZ-QHCPKHFHSA-N 0 0 415.534 3.052 50 0 HGAARN Cn1cc(CNCc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)cn1 ZINC000020914450 558422352 /nfs/dbraw/zinc/42/23/52/558422352.db2.gz SBAXEKKBMQNKQB-UHFFFAOYSA-N 0 0 414.941 3.417 50 0 HGAARN Cc1cc(C)n(CCN(C)C(=O)c2coc(COc3cccc4cccnc43)n2)n1 ZINC000012474657 558422652 /nfs/dbraw/zinc/42/26/52/558422652.db2.gz LQGJNJKRMMQXGV-UHFFFAOYSA-N 0 0 405.458 3.387 50 0 HGAARN O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219260805 558426571 /nfs/dbraw/zinc/42/65/71/558426571.db2.gz SFKYWUXGPNNIKN-FQEVSTJZSA-N 0 0 419.524 3.219 50 0 HGAARN Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000012573111 558429695 /nfs/dbraw/zinc/42/96/95/558429695.db2.gz AGKVWJACTXAMQF-HNNXBMFYSA-N 0 0 408.430 3.111 50 0 HGAARN COc1ccc(CNc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c(C)n2)cc1 ZINC000021035828 558429762 /nfs/dbraw/zinc/42/97/62/558429762.db2.gz WHVXQAKNAXJVGI-UHFFFAOYSA-N 0 0 406.442 3.429 50 0 HGAARN O=C(NCC1(c2ccccc2)CCOCC1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012573330 558430026 /nfs/dbraw/zinc/43/00/26/558430026.db2.gz CNKDUYBWEGHELB-UHFFFAOYSA-N 0 0 410.905 3.458 50 0 HGAARN COc1ccc(CC2(CO)CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000012579512 558432031 /nfs/dbraw/zinc/43/20/31/558432031.db2.gz GBMLSLGBPOXCAT-UHFFFAOYSA-N 0 0 415.964 3.416 50 0 HGAARN Cc1c(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)oc2c1c(C)ccc2C ZINC000072024711 558432182 /nfs/dbraw/zinc/43/21/82/558432182.db2.gz ORJYHRUCOBQZCA-UHFFFAOYSA-N 0 0 412.511 3.480 50 0 HGAARN CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N[C@@H](C)c2ccncn2)CC1 ZINC000012580622 558432344 /nfs/dbraw/zinc/43/23/44/558432344.db2.gz CBYVONDAOPZWLF-ZDUSSCGKSA-N 0 0 402.882 3.011 50 0 HGAARN Cn1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1[C@H]1COc2ccccc2O1 ZINC000021184340 558433448 /nfs/dbraw/zinc/43/34/48/558433448.db2.gz HCDFHMLLTUTXGJ-GOSISDBHSA-N 0 0 423.450 3.432 50 0 HGAARN CCn1c(CCC(=O)Nc2cccc(C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000010740873 558433664 /nfs/dbraw/zinc/43/36/64/558433664.db2.gz FUOSOVIPBSAOIL-UHFFFAOYSA-N 0 0 414.531 3.186 50 0 HGAARN CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CCN2CCCCO2)CC1 ZINC000012588690 558435102 /nfs/dbraw/zinc/43/51/02/558435102.db2.gz XBFYIYJEFHPOLR-UHFFFAOYSA-N 0 0 401.551 3.081 50 0 HGAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000004351403 558435754 /nfs/dbraw/zinc/43/57/54/558435754.db2.gz WDILKVDRSLONMA-UHFFFAOYSA-N 0 0 400.818 3.097 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1 ZINC000010749342 558436515 /nfs/dbraw/zinc/43/65/15/558436515.db2.gz ZBYPTWDURDUVOZ-UHFFFAOYSA-N 0 0 406.935 3.114 50 0 HGAARN Cc1nc(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1 ZINC000021359899 558437275 /nfs/dbraw/zinc/43/72/75/558437275.db2.gz PFCOAEKQVJKOFX-UHFFFAOYSA-N 0 0 401.513 3.458 50 0 HGAARN O=C(c1cc(-c2cccs2)on1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000021524181 558440060 /nfs/dbraw/zinc/44/00/60/558440060.db2.gz SEKMNTGXLFNYOE-GFCCVEGCSA-N 0 0 408.526 3.294 50 0 HGAARN O=C(COc1ccc(Br)cc1)NCc1cccc(NC(=O)C2CC2)c1 ZINC000010764480 558441136 /nfs/dbraw/zinc/44/11/36/558441136.db2.gz ADHREUWMFHDJCC-UHFFFAOYSA-N 0 0 403.276 3.493 50 0 HGAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)nc1 ZINC000021592002 558442413 /nfs/dbraw/zinc/44/24/13/558442413.db2.gz IHJNNHUOCWECCP-AWEZNQCLSA-N 0 0 403.866 3.064 50 0 HGAARN Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000021600993 558443065 /nfs/dbraw/zinc/44/30/65/558443065.db2.gz PDSOGIPFDOQHOV-LJQANCHMSA-N 0 0 406.877 3.482 50 0 HGAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000021840627 558451691 /nfs/dbraw/zinc/45/16/91/558451691.db2.gz ZXXUKMGQDGOCKZ-HXUWFJFHSA-N 0 0 410.470 3.393 50 0 HGAARN O=C(c1cccc(O)c1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1 ZINC000072075938 558453283 /nfs/dbraw/zinc/45/32/83/558453283.db2.gz GAQUXHNDNHTJRA-UHFFFAOYSA-N 0 0 416.477 3.287 50 0 HGAARN O=C(c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)N1CCCC1 ZINC000021898514 558454841 /nfs/dbraw/zinc/45/48/41/558454841.db2.gz NBVAPUMFNMDLOB-UHFFFAOYSA-N 0 0 404.919 3.323 50 0 HGAARN CSc1cccc(-c2nnc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)o2)c1 ZINC000005240268 558454851 /nfs/dbraw/zinc/45/48/51/558454851.db2.gz STZFBSOMEOCNDX-UHFFFAOYSA-N 0 0 408.439 3.364 50 0 HGAARN O=C(Nc1ccnn1C1CCN(C(=O)c2ccc3ccccc3c2)CC1)[C@@H]1CCOC1 ZINC000012716113 558455352 /nfs/dbraw/zinc/45/53/52/558455352.db2.gz QOGWVLKCNGNUFU-HXUWFJFHSA-N 0 0 418.497 3.489 50 0 HGAARN CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)c1 ZINC000005240527 558456526 /nfs/dbraw/zinc/45/65/26/558456526.db2.gz DZMUBYOJJIRUKS-UHFFFAOYSA-N 0 0 411.361 3.411 50 0 HGAARN C[C@@H]1CO[P@](=O)([C@@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 ZINC000022014898 558457744 /nfs/dbraw/zinc/45/77/44/558457744.db2.gz BNAILMRPGCYYNP-XTLFPSBJSA-N 0 0 408.627 3.290 50 0 HGAARN CC(C)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccccc1 ZINC000022026220 558459070 /nfs/dbraw/zinc/45/90/70/558459070.db2.gz LEQXTZZGHHKNRI-YADARESESA-N 0 0 421.497 3.120 50 0 HGAARN CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CSc2ncccn2)CC1 ZINC000012757340 558460320 /nfs/dbraw/zinc/46/03/20/558460320.db2.gz INWOLHBZWAUPJU-UHFFFAOYSA-N 0 0 412.559 3.246 50 0 HGAARN CC(C)N(C(=O)CN1c2ccc(Br)cc2C(=O)C1=O)c1ccccc1 ZINC000012776736 558462721 /nfs/dbraw/zinc/46/27/21/558462721.db2.gz UFMXSMIWHPUZTO-UHFFFAOYSA-N 0 0 401.260 3.420 50 0 HGAARN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000012787354 558463404 /nfs/dbraw/zinc/46/34/04/558463404.db2.gz OQVWQEOKVDREID-NRFANRHFSA-N 0 0 400.544 3.262 50 0 HGAARN CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000022106400 558463738 /nfs/dbraw/zinc/46/37/38/558463738.db2.gz GUXBGVOSHSALFQ-UHFFFAOYSA-N 0 0 402.424 3.370 50 0 HGAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000012789635 558464735 /nfs/dbraw/zinc/46/47/35/558464735.db2.gz JPMUELNHCFTJTC-UHFFFAOYSA-N 0 0 422.890 3.013 50 0 HGAARN C[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012790151 558464933 /nfs/dbraw/zinc/46/49/33/558464933.db2.gz BNQUTLHGDKSWBS-CYBMUJFWSA-N 0 0 406.939 3.397 50 0 HGAARN COc1cccc(NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)c1 ZINC000012790029 558464953 /nfs/dbraw/zinc/46/49/53/558464953.db2.gz QDMFEVAWQIQQQC-KRWDZBQOSA-N 0 0 412.471 3.067 50 0 HGAARN NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000012794119 558467463 /nfs/dbraw/zinc/46/74/63/558467463.db2.gz FLVXCKMYQSQZIG-UHFFFAOYSA-N 0 0 420.856 3.442 50 0 HGAARN CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012796116 558468894 /nfs/dbraw/zinc/46/88/94/558468894.db2.gz BXQPHVSFDYRLMG-UHFFFAOYSA-N 0 0 418.515 3.278 50 0 HGAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccccc2Cl)c1 ZINC000012796433 558469114 /nfs/dbraw/zinc/46/91/14/558469114.db2.gz PJYCMVITRVJDKG-GOSISDBHSA-N 0 0 402.878 3.451 50 0 HGAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2CC(N)=O)c1 ZINC000012796445 558469143 /nfs/dbraw/zinc/46/91/43/558469143.db2.gz VILXRHSTXPYDHK-UHFFFAOYSA-N 0 0 406.920 3.429 50 0 HGAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1 ZINC000012800615 558471561 /nfs/dbraw/zinc/47/15/61/558471561.db2.gz DOCVHFAOTDLWIB-KSSFIOAISA-N 0 0 422.934 3.288 50 0 HGAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc(Cl)c1 ZINC000012800633 558471669 /nfs/dbraw/zinc/47/16/69/558471669.db2.gz DOCVHFAOTDLWIB-KBXCAEBGSA-N 0 0 422.934 3.288 50 0 HGAARN COc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1S(=O)(=O)NC1CC1 ZINC000012801039 558471800 /nfs/dbraw/zinc/47/18/00/558471800.db2.gz IITHYPPRXUMTKE-UHFFFAOYSA-N 0 0 400.500 3.267 50 0 HGAARN Cc1ccc(C)c(OCCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000012803151 558472576 /nfs/dbraw/zinc/47/25/76/558472576.db2.gz KUCYAKIOPQYGOR-UHFFFAOYSA-N 0 0 423.557 3.472 50 0 HGAARN CNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012806083 558473625 /nfs/dbraw/zinc/47/36/25/558473625.db2.gz NUFFKUTVPGVUDA-XOQVKLMPSA-N 0 0 409.530 3.192 50 0 HGAARN Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000012806667 558473815 /nfs/dbraw/zinc/47/38/15/558473815.db2.gz FBYQYCCDLFLSPA-UHFFFAOYSA-N 0 0 407.514 3.253 50 0 HGAARN COc1ccc(C(=O)NCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1OC ZINC000012806456 558473895 /nfs/dbraw/zinc/47/38/95/558473895.db2.gz RUGZOVUYSFJNQG-CYBMUJFWSA-N 0 0 413.499 3.263 50 0 HGAARN COc1ccccc1NC(=O)N(Cc1ccc(OC)c(OS(C)(=O)=O)c1)C(C)C ZINC000004374350 558474785 /nfs/dbraw/zinc/47/47/85/558474785.db2.gz XZZOHXZLGKQRKR-UHFFFAOYSA-N 0 0 422.503 3.485 50 0 HGAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000012812666 558475001 /nfs/dbraw/zinc/47/50/01/558475001.db2.gz WHGVRNLSEFFPRT-GJZGRUSLSA-N 0 0 422.934 3.319 50 0 HGAARN O=C(CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1)Nc1ncccc1O ZINC000022265267 558475102 /nfs/dbraw/zinc/47/51/02/558475102.db2.gz ULEGGCVNTFWWNJ-UHFFFAOYSA-N 0 0 403.504 3.142 50 0 HGAARN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012817827 558476058 /nfs/dbraw/zinc/47/60/58/558476058.db2.gz OAJGWXCWRYBQEI-GFCCVEGCSA-N 0 0 407.230 3.370 50 0 HGAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1 ZINC000012817738 558476075 /nfs/dbraw/zinc/47/60/75/558476075.db2.gz RTCJLQGIAAFCOU-CYBMUJFWSA-N 0 0 409.442 3.279 50 0 HGAARN CCOC(=O)N1CCC(C(=O)Nc2nc(CN3C[C@H](C)C[C@H](C)C3)cs2)CC1 ZINC000022293458 558476716 /nfs/dbraw/zinc/47/67/16/558476716.db2.gz PIBGNJNPMFXVMC-GASCZTMLSA-N 0 0 408.568 3.428 50 0 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Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1c2ccccc2C[C@H]1C ZINC000013039829 558506304 /nfs/dbraw/zinc/50/63/04/558506304.db2.gz XLNZEHVOAOKYMH-CQSZACIVSA-N 0 0 416.319 3.263 50 0 HGAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4ccc(F)cc4C)CC3)cc(=O)oc2c1 ZINC000022752889 558507880 /nfs/dbraw/zinc/50/78/80/558507880.db2.gz ITTXMQCYMHXRHC-UHFFFAOYSA-N 0 0 423.488 3.305 50 0 biogenic,in-vitro HGAARN Cc1ccc(NS(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013042339 558508134 /nfs/dbraw/zinc/50/81/34/558508134.db2.gz BVNOFCUAWDDURG-UHFFFAOYSA-N 0 0 408.545 3.361 50 0 HGAARN CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4ccc(F)cc4)CC3)n2)cc1 ZINC000022803607 558513533 /nfs/dbraw/zinc/51/35/33/558513533.db2.gz AMTSBMBGEIKIMX-UHFFFAOYSA-N 0 0 423.492 3.194 50 0 HGAARN COc1cc(OC)c(OC)cc1CNC(=O)COc1ccc(C)cc1Br ZINC000013115074 558516075 /nfs/dbraw/zinc/51/60/75/558516075.db2.gz FKDAFEZLRJAPSH-UHFFFAOYSA-N 0 0 424.291 3.479 50 0 HGAARN COc1ccc(-c2nc(CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)co2)cc1 ZINC000022841734 558516256 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558536826 /nfs/dbraw/zinc/53/68/26/558536826.db2.gz VUSVDPQNXALZOR-OAHLLOKOSA-N 0 0 415.946 3.349 50 0 HGAARN Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2s1 ZINC000013548555 558538483 /nfs/dbraw/zinc/53/84/83/558538483.db2.gz YXLQQFZYTYNFFR-UHFFFAOYSA-N 0 0 418.526 3.456 50 0 HGAARN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)cc2)n1 ZINC000023156355 558539679 /nfs/dbraw/zinc/53/96/79/558539679.db2.gz QJLYUYDKLYFOHI-QHCPKHFHSA-N 0 0 422.504 3.432 50 0 HGAARN Cc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]3CCCN23)cc1 ZINC000013556370 558540129 /nfs/dbraw/zinc/54/01/29/558540129.db2.gz MQFONYWUEWYXHW-NMLBUPMWSA-N 0 0 408.885 3.484 50 0 HGAARN CCOC(=O)c1c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)sc2c1CCC2 ZINC000013566689 558541319 /nfs/dbraw/zinc/54/13/19/558541319.db2.gz IQRKOOIWKDKLFY-UHFFFAOYSA-N 0 0 422.528 3.062 50 0 HGAARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2cccc(O)c2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000013583861 558545731 /nfs/dbraw/zinc/54/57/31/558545731.db2.gz 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O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000014067998 558617062 /nfs/dbraw/zinc/61/70/62/558617062.db2.gz WTAZQTYEIVQLKQ-QFIPXVFZSA-N 0 0 419.525 3.021 50 0 HGAARN CN(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000014070095 558617457 /nfs/dbraw/zinc/61/74/57/558617457.db2.gz KDVQEBAPOHESEH-UHFFFAOYSA-N 0 0 406.574 3.458 50 0 HGAARN CCc1ccc(OC[C@H](O)Cn2c3cc(-c4ccccc4)nn3c(=O)cc2C)cc1 ZINC000024843887 558617444 /nfs/dbraw/zinc/61/74/44/558617444.db2.gz LGMBVMOXMYOEML-HXUWFJFHSA-N 0 0 403.482 3.474 50 0 HGAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000014083655 558618432 /nfs/dbraw/zinc/61/84/32/558618432.db2.gz IFGQVGVBDMSFBM-UHFFFAOYSA-N 0 0 419.953 3.232 50 0 HGAARN COc1ccc(OC)c(CN2CCN(C(=O)CCC(=O)c3cccs3)CC2)c1 ZINC000014119267 558622163 /nfs/dbraw/zinc/62/21/63/558622163.db2.gz AJLPBFNQTJZOHN-UHFFFAOYSA-N 0 0 402.516 3.073 50 0 HGAARN C[C@H]1CN(C(C)(C)CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000024970832 558623152 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CCOc1cc(C(=O)NOCc2ccccc2)ccc1OCC(=O)N1CCCCC1 ZINC000025035811 558627549 /nfs/dbraw/zinc/62/75/49/558627549.db2.gz VONZPTYXYCYJHX-UHFFFAOYSA-N 0 0 412.486 3.338 50 0 HGAARN O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000014182854 558628990 /nfs/dbraw/zinc/62/89/90/558628990.db2.gz UCDODYWPYKFHFG-UHFFFAOYSA-N 0 0 417.314 3.052 50 0 HGAARN O=c1c2c3c(sc2ncn1C[C@H](O)COc1cccc(Br)c1)CCC3 ZINC000014184125 558629591 /nfs/dbraw/zinc/62/95/91/558629591.db2.gz NERPXZAWPYRSMB-LBPRGKRZSA-N 0 0 421.316 3.149 50 0 HGAARN CCOC(=O)c1sc2ncnc(NC3CCN(C(=O)c4ccco4)CC3)c2c1C ZINC000025151316 558632871 /nfs/dbraw/zinc/63/28/71/558632871.db2.gz MXZKXHVYPNIZQG-UHFFFAOYSA-N 0 0 414.487 3.486 50 0 HGAARN O=C(Nc1ncc(Cc2c(Cl)cccc2Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000014197246 558634049 /nfs/dbraw/zinc/63/40/49/558634049.db2.gz BXBYJXARNGYIQB-VIFPVBQESA-N 0 0 405.328 3.414 50 0 HGAARN CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000014198722 558634808 /nfs/dbraw/zinc/63/48/08/558634808.db2.gz JOBRDGNFHXMXDC-QGZVFWFLSA-N 0 0 421.501 3.053 50 0 HGAARN COc1cc(NC(=O)Cc2coc(-c3ccccc3)n2)c(C(=O)N(C)C)cc1OC ZINC000025219359 558634831 /nfs/dbraw/zinc/63/48/31/558634831.db2.gz CDIQXYCQXAEKGJ-UHFFFAOYSA-N 0 0 409.442 3.242 50 0 HGAARN COc1cc(NC(=O)c2cnn(-c3ccccc3C)c2C)c(C(=O)N(C)C)cc1OC ZINC000025222969 558635005 /nfs/dbraw/zinc/63/50/05/558635005.db2.gz WOTCJATWFKTZLW-UHFFFAOYSA-N 0 0 422.485 3.460 50 0 HGAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000025225679 558635050 /nfs/dbraw/zinc/63/50/50/558635050.db2.gz MSRZXJQDVOYUCA-SFTDATJTSA-N 0 0 420.912 3.435 50 0 HGAARN CCCOc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000014226495 558638778 /nfs/dbraw/zinc/63/87/78/558638778.db2.gz XKJRIHBTLBUBMK-UHFFFAOYSA-N 0 0 409.530 3.489 50 0 HGAARN COc1ccc([C@H]2CCCN2CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000025415607 558640366 /nfs/dbraw/zinc/64/03/66/558640366.db2.gz KJRDZHYHOLSKGX-QGZVFWFLSA-N 0 0 421.419 3.004 50 0 HGAARN Cc1ccc(S(=O)(=O)CCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000014237959 558642392 /nfs/dbraw/zinc/64/23/92/558642392.db2.gz UYILMWIAGSNWKP-UHFFFAOYSA-N 0 0 406.592 3.464 50 0 HGAARN O=C(CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)NC1CC1 ZINC000014242272 558644696 /nfs/dbraw/zinc/64/46/96/558644696.db2.gz LPUZDLKJLSQCFV-UHFFFAOYSA-N 0 0 408.889 3.260 50 0 HGAARN NS(=O)(=O)Cc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 ZINC000025584036 558645005 /nfs/dbraw/zinc/64/50/05/558645005.db2.gz IFQKLCYFPKUYGL-UHFFFAOYSA-N 0 0 422.466 3.173 50 0 HGAARN COC(=O)Cn1c(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O ZINC000014242706 558645283 /nfs/dbraw/zinc/64/52/83/558645283.db2.gz MAZSIZKDFHRWJD-NSHDSACASA-N 0 0 418.421 3.211 50 0 HGAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000025623924 558646200 /nfs/dbraw/zinc/64/62/00/558646200.db2.gz HWHUWURVMNWYIN-JOCHJYFZSA-N 0 0 413.477 3.452 50 0 HGAARN CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000014246182 558647214 /nfs/dbraw/zinc/64/72/14/558647214.db2.gz QYHOHWVLOSKNMS-UHFFFAOYSA-N 0 0 417.512 3.369 50 0 HGAARN COc1ccc(CN(CC(F)(F)F)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000010998332 558647370 /nfs/dbraw/zinc/64/73/70/558647370.db2.gz XZRXKRPGCCOABY-UHFFFAOYSA-N 0 0 420.387 3.272 50 0 HGAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC000025685731 558647826 /nfs/dbraw/zinc/64/78/26/558647826.db2.gz FSXOGUQMHBZTQL-AVRDEDQJSA-N 0 0 402.560 3.240 50 0 HGAARN Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c2ccccc2n1 ZINC000014247391 558648430 /nfs/dbraw/zinc/64/84/30/558648430.db2.gz GSBJBBZCGRDVLV-UHFFFAOYSA-N 0 0 411.483 3.286 50 0 HGAARN COc1ccc([C@H](CNC(=O)c2cc(F)c(F)c(F)c2F)N2CCOCC2)cc1 ZINC000025764386 558649178 /nfs/dbraw/zinc/64/91/78/558649178.db2.gz BMVPAPJWTAWPRB-INIZCTEOSA-N 0 0 412.383 3.055 50 0 HGAARN COc1ccc([C@H](CNC(=O)Cc2c(F)cccc2Cl)N2CCOCC2)cc1 ZINC000025765111 558649448 /nfs/dbraw/zinc/64/94/48/558649448.db2.gz PDENENSNWKJTAF-FQEVSTJZSA-N 0 0 406.885 3.220 50 0 HGAARN CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O ZINC000014249672 558649558 /nfs/dbraw/zinc/64/95/58/558649558.db2.gz AUHBFBAJNVJAEM-LJQANCHMSA-N 0 0 414.333 3.399 50 0 HGAARN Cc1cccc(Cc2cnc(NC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)s2)c1 ZINC000014250479 558649718 /nfs/dbraw/zinc/64/97/18/558649718.db2.gz SAESAFOKSDRDJE-UHFFFAOYSA-N 0 0 420.494 3.346 50 0 HGAARN CCOc1cc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1OCC(C)C ZINC000014251264 558650179 /nfs/dbraw/zinc/65/01/79/558650179.db2.gz IFYKSEAINAEDHY-OAHLLOKOSA-N 0 0 420.531 3.259 50 0 HGAARN CCOc1cc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1OCC(C)C ZINC000014251262 558650182 /nfs/dbraw/zinc/65/01/82/558650182.db2.gz IFYKSEAINAEDHY-HNNXBMFYSA-N 0 0 420.531 3.259 50 0 HGAARN CN(C)C(=O)CN(C)c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000014251949 558650392 /nfs/dbraw/zinc/65/03/92/558650392.db2.gz DEFJIPNLJZEQKW-UHFFFAOYSA-N 0 0 401.580 3.080 50 0 HGAARN O=C(CCc1ccccc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000025906144 558651901 /nfs/dbraw/zinc/65/19/01/558651901.db2.gz WMHOSXZEJFLSAS-UHFFFAOYSA-N 0 0 412.964 3.304 50 0 HGAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(=O)[nH]c4ccccc43)c2)c1C ZINC000025993529 558653353 /nfs/dbraw/zinc/65/33/53/558653353.db2.gz RGGTUTAJZAYPAO-UHFFFAOYSA-N 0 0 416.437 3.451 50 0 HGAARN O=C(COc1ccc(Cl)c2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O ZINC000025992193 558653473 /nfs/dbraw/zinc/65/34/73/558653473.db2.gz JPNVRVDLNFDXPE-UHFFFAOYSA-N 0 0 401.850 3.158 50 0 HGAARN Cc1cccc(C)c1OCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000014422190 558654397 /nfs/dbraw/zinc/65/43/97/558654397.db2.gz WCAYUVKDZRHJGU-UHFFFAOYSA-N 0 0 412.515 3.138 50 0 HGAARN CC1CCN(Cc2csc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)n2)CC1 ZINC000014526039 558655618 /nfs/dbraw/zinc/65/56/18/558655618.db2.gz AVTYJCRLEZHXMH-UHFFFAOYSA-N 0 0 411.531 3.183 50 0 HGAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000026160619 558656541 /nfs/dbraw/zinc/65/65/41/558656541.db2.gz KXHUCKKOMRTTQZ-FQEVSTJZSA-N 0 0 402.878 3.101 50 0 HGAARN C[C@H](NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000026283823 558658308 /nfs/dbraw/zinc/65/83/08/558658308.db2.gz LRRSJVLBUPLCIW-HNNXBMFYSA-N 0 0 416.472 3.428 50 0 HGAARN C[C@@H](NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000026283816 558658352 /nfs/dbraw/zinc/65/83/52/558658352.db2.gz LRRSJVLBUPLCIW-OAHLLOKOSA-N 0 0 416.472 3.428 50 0 HGAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)C1 ZINC000026303046 558658839 /nfs/dbraw/zinc/65/88/39/558658839.db2.gz OYIBSSOWKLNSIG-IBGZPJMESA-N 0 0 407.518 3.242 50 0 HGAARN CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)c2ccc3cc[nH]c3c2)CC1=O ZINC000014539719 558659393 /nfs/dbraw/zinc/65/93/93/558659393.db2.gz WSBVACCHXBFRPY-NRFANRHFSA-N 0 0 420.513 3.089 50 0 HGAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C2CC2)on1 ZINC000026378832 558659900 /nfs/dbraw/zinc/65/99/00/558659900.db2.gz IMZCXBKMFVWKOQ-UHFFFAOYSA-N 0 0 401.463 3.438 50 0 HGAARN CN1CCOc2ccc(S(=O)(=O)NCc3csc(-c4cccs4)n3)cc21 ZINC000026377449 558659911 /nfs/dbraw/zinc/65/99/11/558659911.db2.gz YNJSDGGWFGCYNX-UHFFFAOYSA-N 0 0 407.542 3.179 50 0 HGAARN Cc1cc(=O)c(C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)nn1-c1ccccc1 ZINC000026415833 558660630 /nfs/dbraw/zinc/66/06/30/558660630.db2.gz MXXGTNNNLLWOPO-KRWDZBQOSA-N 0 0 417.465 3.066 50 0 HGAARN COCc1ccc(CN2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3)C2)o1 ZINC000014543300 558660853 /nfs/dbraw/zinc/66/08/53/558660853.db2.gz QLMSQIQDGZJGTB-JOCHJYFZSA-N 0 0 400.519 3.312 50 0 HGAARN COc1ccccc1/C=c1/sc2nc(-c3ccccc3Br)nn2c1=O ZINC000026533842 558662500 /nfs/dbraw/zinc/66/25/00/558662500.db2.gz JMDRHDNGMINCNM-XNTDXEJSSA-N 0 0 414.284 3.137 50 0 HGAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(F)c(F)c(F)c2F)c1C ZINC000014637671 558662763 /nfs/dbraw/zinc/66/27/63/558662763.db2.gz AWRDGEMZHPIFBT-UHFFFAOYSA-N 0 0 404.385 3.362 50 0 HGAARN COc1ccc(C(NC(=O)COc2ccc(C(N)=O)cc2)c2ccc(OC)cc2)cc1 ZINC000026565752 558663199 /nfs/dbraw/zinc/66/31/99/558663199.db2.gz DODGESITCXUIBJ-UHFFFAOYSA-N 0 0 420.465 3.087 50 0 HGAARN Cc1cc(NC(=O)[C@H](C)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)on1 ZINC000026601180 558663431 /nfs/dbraw/zinc/66/34/31/558663431.db2.gz LNRPYPOJAYMYJM-DLBZAZTESA-N 0 0 424.505 3.047 50 0 HGAARN CSc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cn3cccn3)CC2=O)cc1 ZINC000026647242 558663903 /nfs/dbraw/zinc/66/39/03/558663903.db2.gz YLRUAJMGPRPKCQ-LJQANCHMSA-N 0 0 420.538 3.323 50 0 HGAARN C[C@H]1C[C@@H]1C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014697661 558663976 /nfs/dbraw/zinc/66/39/76/558663976.db2.gz YQDBXARTZOVDJF-LPHOPBHVSA-N 0 0 422.529 3.047 50 0 HGAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000026688928 558664362 /nfs/dbraw/zinc/66/43/62/558664362.db2.gz OLEWXMCVPIQGCS-OAHLLOKOSA-N 0 0 405.454 3.276 50 0 HGAARN CS(=O)(=O)NCCc1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000026810252 558665396 /nfs/dbraw/zinc/66/53/96/558665396.db2.gz SXBWRDOGQXEIBE-UHFFFAOYSA-N 0 0 417.405 3.034 50 0 HGAARN C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)N1CCc2sccc2C1 ZINC000026839768 558665584 /nfs/dbraw/zinc/66/55/84/558665584.db2.gz WEHRIAFTYSIHLV-LBPRGKRZSA-N 0 0 415.378 3.236 50 0 HGAARN O=C(c1ccccn1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 ZINC000014732894 558666004 /nfs/dbraw/zinc/66/60/04/558666004.db2.gz KDZHDYVSLZXGSB-OAQYLSRUSA-N 0 0 407.514 3.284 50 0 HGAARN C[C@@H](OC(=O)c1cnn(C)c1-n1cccc1)C(=O)Nc1ccc(Br)cc1 ZINC000027139193 558670115 /nfs/dbraw/zinc/67/01/15/558670115.db2.gz OUHMXFFCSGUKIU-GFCCVEGCSA-N 0 0 417.263 3.157 50 0 HGAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O ZINC000027155784 558670292 /nfs/dbraw/zinc/67/02/92/558670292.db2.gz ACBWCWMWKKCMRE-MSOLQXFVSA-N 0 0 423.513 3.131 50 0 HGAARN COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(Cc2ccc(C)o2)C3)cc1 ZINC000014751822 558671109 /nfs/dbraw/zinc/67/11/09/558671109.db2.gz WWHWNXNLUUICFW-UHFFFAOYSA-N 0 0 422.529 3.296 50 0 HGAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)CSc3ccccc32)c1 ZINC000014839898 558674614 /nfs/dbraw/zinc/67/46/14/558674614.db2.gz NSLOBGPHKAYELV-UHFFFAOYSA-N 0 0 424.931 3.211 50 0 HGAARN O=C(Cn1ncc2ccccc2c1=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000027590270 558676826 /nfs/dbraw/zinc/67/68/26/558676826.db2.gz UBPCZACDKJSXIR-UHFFFAOYSA-N 0 0 424.504 3.276 50 0 HGAARN O=C(CNC(=O)Cc1ccccc1)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000027587978 558676857 /nfs/dbraw/zinc/67/68/57/558676857.db2.gz PNPTXAOAGQFUDA-UHFFFAOYSA-N 0 0 413.521 3.224 50 0 HGAARN COc1ccccc1OCC(=O)N1CCC2(C[C@@H]2C(=O)Nc2cccc(F)c2)CC1 ZINC000014888899 558677947 /nfs/dbraw/zinc/67/79/47/558677947.db2.gz UTIDEGJMTWOJTG-GOSISDBHSA-N 0 0 412.461 3.481 50 0 HGAARN CCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccc(C)cc2)s1 ZINC000027663685 558678950 /nfs/dbraw/zinc/67/89/50/558678950.db2.gz OBNQVPKDGLIKOQ-UHFFFAOYSA-N 0 0 417.512 3.471 50 0 HGAARN O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000014961492 558684142 /nfs/dbraw/zinc/68/41/42/558684142.db2.gz BMJHSBNFNBXCCX-KRWDZBQOSA-N 0 0 420.538 3.427 50 0 HGAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1CCN(C(=O)c2ccco2)CC1 ZINC000028030494 558689886 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C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)C1 ZINC000012595355 568869008 /nfs/dbraw/zinc/86/90/08/568869008.db2.gz IAQMLIYFVKMBKO-ROUUACIJSA-N 0 0 417.619 3.279 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCCC[C@@H]3C)ccc2Cl)C[C@H](C)O1 ZINC000012600172 568869467 /nfs/dbraw/zinc/86/94/67/568869467.db2.gz RSJVNOKDKJPXAP-SOUVJXGZSA-N 0 0 414.955 3.153 50 0 HGAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC(F)F)n2N)cc1 ZINC000003271776 568870544 /nfs/dbraw/zinc/87/05/44/568870544.db2.gz MHDAVCWQPXTQCT-UHFFFAOYSA-N 0 0 405.430 3.300 50 0 HGAARN COc1ccc(N2C[C@H](C(=O)NCCc3ccc(Cl)cc3)CC2=O)c(OC)c1 ZINC000012607903 568871492 /nfs/dbraw/zinc/87/14/92/568871492.db2.gz IATDTVOWSUHETG-OAHLLOKOSA-N 0 0 402.878 3.069 50 0 HGAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012608771 568871558 /nfs/dbraw/zinc/87/15/58/568871558.db2.gz WFOIAQSZHFBMQV-UHFFFAOYSA-N 0 0 411.767 3.391 50 0 HGAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000003281302 568871598 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COC(=O)C[C@@H](NC(=O)Nc1ccn(-c2ccccc2)n1)c1ccc(OC)c(OC)c1 ZINC000058018616 568876832 /nfs/dbraw/zinc/87/68/32/568876832.db2.gz SZWZNNUNKJOJQS-QGZVFWFLSA-N 0 0 424.457 3.315 50 0 HGAARN CCn1c(SCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)nnc1-c1ccccc1 ZINC000003305032 568877412 /nfs/dbraw/zinc/87/74/12/568877412.db2.gz UOFNJBQDZBGHIY-UHFFFAOYSA-N 0 0 421.482 3.280 50 0 HGAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@@H]2c1ccc(F)cc1 ZINC000019168618 568877734 /nfs/dbraw/zinc/87/77/34/568877734.db2.gz RASNOJDOUWQTMT-KSZLIROESA-N 0 0 419.378 3.380 50 0 HGAARN COC(=O)c1sc2nc(C)nc(SCN3C(=O)c4ccccc4C3=O)c2c1C ZINC000003310959 568878265 /nfs/dbraw/zinc/87/82/65/568878265.db2.gz DDAWCYCKLDEZLH-UHFFFAOYSA-N 0 0 413.480 3.441 50 0 HGAARN Cn1cccc1CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000263584984 568878564 /nfs/dbraw/zinc/87/85/64/568878564.db2.gz CRVBYJQKWQWLTH-IBGZPJMESA-N 0 0 410.518 3.269 50 0 biogenic HGAARN Nn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(Cl)cc1 ZINC000003312834 568878716 /nfs/dbraw/zinc/87/87/16/568878716.db2.gz HOYTZGYHRGCKMZ-UHFFFAOYSA-N 0 0 402.863 3.059 50 0 HGAARN CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Cl)s1)N1C(=O)c2ccccc2C1=O ZINC000003314719 568879055 /nfs/dbraw/zinc/87/90/55/568879055.db2.gz WRKVOSRFNMQSRR-INIZCTEOSA-N 0 0 405.859 3.448 50 0 HGAARN O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCCCCC1 ZINC000003315631 568879124 /nfs/dbraw/zinc/87/91/24/568879124.db2.gz NEUZGCSVQHOYGK-UHFFFAOYSA-N 0 0 416.499 3.047 50 0 HGAARN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003315383 568879208 /nfs/dbraw/zinc/87/92/08/568879208.db2.gz JFDKUEVZZUKHIM-UHFFFAOYSA-N 0 0 418.449 3.088 50 0 HGAARN Cc1c(NC(=O)CN2CC=C(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000003323620 568880797 /nfs/dbraw/zinc/88/07/97/568880797.db2.gz WEKLLAIFIFEAKF-UHFFFAOYSA-N 0 0 402.498 3.212 50 0 HGAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000003327755 568881546 /nfs/dbraw/zinc/88/15/46/568881546.db2.gz CJGHUBHZWPMOMA-INIZCTEOSA-N 0 0 413.524 3.106 50 0 HGAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccccn1)C[C@H](C)CC2 ZINC000003337506 568882932 /nfs/dbraw/zinc/88/29/32/568882932.db2.gz HDPBJTHMVARSOW-GFCCVEGCSA-N 0 0 402.472 3.240 50 0 HGAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(Cl)c(N)cc1OC ZINC000003338107 568883200 /nfs/dbraw/zinc/88/32/00/568883200.db2.gz QSHOMJZHFFIABE-UHFFFAOYSA-N 0 0 408.838 3.092 50 0 HGAARN O=C(CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000504517408 568883485 /nfs/dbraw/zinc/88/34/85/568883485.db2.gz OAPSQBRBZODEOZ-KSNOWIBYSA-N 0 0 422.525 3.400 50 0 biogenic HGAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(I)cc1 ZINC000003341394 568883820 /nfs/dbraw/zinc/88/38/20/568883820.db2.gz OOUKIVONHVLVQW-VXGBXAGGSA-N 0 0 401.244 3.238 50 0 HGAARN C[C@H](c1ccccc1)N1c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCC[C@H]21 ZINC000012639804 568884053 /nfs/dbraw/zinc/88/40/53/568884053.db2.gz MRNDKXKOXLOMPR-VGOFRKELSA-N 0 0 413.543 3.215 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1 ZINC000003343247 568884194 /nfs/dbraw/zinc/88/41/94/568884194.db2.gz VEBXDIBHONDWGZ-UHFFFAOYSA-N 0 0 418.515 3.129 50 0 HGAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000015377530 568884426 /nfs/dbraw/zinc/88/44/26/568884426.db2.gz MTUNGJAWFJUHFC-JOCHJYFZSA-N 0 0 423.513 3.405 50 0 HGAARN COCCn1ccc2c1cccc2OCC(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000263588745 568884442 /nfs/dbraw/zinc/88/44/42/568884442.db2.gz XXGQQKJLYOSTHY-UHFFFAOYSA-N 0 0 411.458 3.272 50 0 HGAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000003345150 568884503 /nfs/dbraw/zinc/88/45/03/568884503.db2.gz JLAIPZJDXUHMMI-JTQLQIEISA-N 0 0 406.464 3.320 50 0 HGAARN COc1ccccc1CNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000015390879 568884685 /nfs/dbraw/zinc/88/46/85/568884685.db2.gz SISXYHLNFRDFCW-IBGZPJMESA-N 0 0 416.543 3.253 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccccc2F)cc1 ZINC000015391129 568885003 /nfs/dbraw/zinc/88/50/03/568885003.db2.gz WGERVVLPSYHYJZ-OAHLLOKOSA-N 0 0 406.479 3.406 50 0 HGAARN O=C(CNS(=O)(=O)c1cccc(Cl)c1)OCc1csc(-c2ccccc2)n1 ZINC000003350813 568885634 /nfs/dbraw/zinc/88/56/34/568885634.db2.gz SURMNANHKVKCJO-UHFFFAOYSA-N 0 0 422.915 3.485 50 0 HGAARN COc1ccc(CN(C)S(=O)(=O)c2cccc3cc(C)cnc32)c(OC)c1OC ZINC000012645687 568885756 /nfs/dbraw/zinc/88/57/56/568885756.db2.gz JJNAPBQBNNLLBM-UHFFFAOYSA-N 0 0 416.499 3.390 50 0 HGAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3OC(F)F)n2N)c1 ZINC000003355813 568886697 /nfs/dbraw/zinc/88/66/97/568886697.db2.gz WKTFILCOXNDJFO-UHFFFAOYSA-N 0 0 405.430 3.300 50 0 HGAARN COc1ccc(OC)c(-c2csc(NC(=O)c3n[nH]c(=O)c4ccccc43)n2)c1 ZINC000003357043 568886931 /nfs/dbraw/zinc/88/69/31/568886931.db2.gz GVGLUMJRIYLJLU-UHFFFAOYSA-N 0 0 408.439 3.316 50 0 HGAARN O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Cl)cc1F ZINC000003369056 568889476 /nfs/dbraw/zinc/88/94/76/568889476.db2.gz RVBWWQGFUCGILO-AWEZNQCLSA-N 0 0 404.825 3.010 50 0 HGAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N1CCOCC1 ZINC000003370271 568889755 /nfs/dbraw/zinc/88/97/55/568889755.db2.gz QIQNUFRNGCPQLJ-UHFFFAOYSA-N 0 0 416.453 3.163 50 0 HGAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O ZINC000003407988 568897405 /nfs/dbraw/zinc/89/74/05/568897405.db2.gz NDBFOMOIJSKSJM-GYCJOSAFSA-N 0 0 419.481 3.357 50 0 HGAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nc3cc(Cl)ccc3c2=O)cc1 ZINC000003410792 568898109 /nfs/dbraw/zinc/89/81/09/568898109.db2.gz QGVCLDKNEDDPGN-NSHDSACASA-N 0 0 416.890 3.023 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000003411576 568898339 /nfs/dbraw/zinc/89/83/39/568898339.db2.gz JLWJKVFMEIKCRP-OAQYLSRUSA-N 0 0 414.461 3.299 50 0 HGAARN Cc1cc(C(=O)COC(=O)CNC(=O)c2cc(C)cc(C)c2)c(C)n1CC(F)(F)F ZINC000003424183 568900400 /nfs/dbraw/zinc/90/04/00/568900400.db2.gz VDGGPBFZTFQEET-UHFFFAOYSA-N 0 0 424.419 3.440 50 0 HGAARN COCCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CCCC3 ZINC000003432895 568902152 /nfs/dbraw/zinc/90/21/52/568902152.db2.gz YANJQQXAZPIVFY-UHFFFAOYSA-N 0 0 403.529 3.286 50 0 HGAARN O=c1cc(CSc2nnc(-c3ccco3)o2)nc2ccc(Br)cn12 ZINC000003440744 568903684 /nfs/dbraw/zinc/90/36/84/568903684.db2.gz KVSVFLUZSXMGKT-UHFFFAOYSA-N 0 0 405.233 3.392 50 0 HGAARN COc1ccc(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1OC ZINC000003450507 568905535 /nfs/dbraw/zinc/90/55/35/568905535.db2.gz YIKHDRYQVZJUKZ-UHFFFAOYSA-N 0 0 410.459 3.134 50 0 HGAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000003450257 568905561 /nfs/dbraw/zinc/90/55/61/568905561.db2.gz FWDKPDOFPXHPBU-UHFFFAOYSA-N 0 0 400.765 3.328 50 0 HGAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)C2=O ZINC000003455988 568906263 /nfs/dbraw/zinc/90/62/63/568906263.db2.gz ITGTUCBQKSSZOH-UHFFFAOYSA-N 0 0 416.478 3.388 50 0 HGAARN CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 ZINC000003457775 568906606 /nfs/dbraw/zinc/90/66/06/568906606.db2.gz IQGCMDFXYXPAQQ-QHCPKHFHSA-N 0 0 405.454 3.001 50 0 HGAARN O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000003459484 568906783 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CC(=O)N1[C@@H](c2ccccc2OC(=O)c2ccc(Cl)nc2)C[C@]2(C)CC(=O)N[C@@H]12 ZINC000004108732 568909631 /nfs/dbraw/zinc/90/96/31/568909631.db2.gz FAJVUSBZVPZYMF-GQWLDOHISA-N 0 0 413.861 3.100 50 0 HGAARN COc1ccccc1Nc1nnc(SCC(=O)NC(=O)NC2CCCC2)s1 ZINC000003494452 568909614 /nfs/dbraw/zinc/90/96/14/568909614.db2.gz BQGHZBVHWNREMR-UHFFFAOYSA-N 0 0 407.521 3.151 50 0 HGAARN COCCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@@H](C)C(N)=O ZINC000003496602 568909635 /nfs/dbraw/zinc/90/96/35/568909635.db2.gz ZCDFATSHJJYPIS-HNNXBMFYSA-N 0 0 412.515 3.136 50 0 HGAARN COc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1 ZINC000003494467 568909665 /nfs/dbraw/zinc/90/96/65/568909665.db2.gz NJEHJQNDXPWMIZ-UHFFFAOYSA-N 0 0 419.488 3.001 50 0 HGAARN COCCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@H](C)C(N)=O ZINC000003496604 568909691 /nfs/dbraw/zinc/90/96/91/568909691.db2.gz ZCDFATSHJJYPIS-OAHLLOKOSA-N 0 0 412.515 3.136 50 0 HGAARN CCOc1ccccc1-n1nnnc1SCC(=O)N[C@H](C)CCc1ccccc1 ZINC000003497074 568909759 /nfs/dbraw/zinc/90/97/59/568909759.db2.gz 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ZINC000003534515 568913505 /nfs/dbraw/zinc/91/35/05/568913505.db2.gz YHEDKASCFSXHBL-UHFFFAOYSA-N 0 0 413.503 3.221 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000003541402 568913834 /nfs/dbraw/zinc/91/38/34/568913834.db2.gz KDSGIEXYHFUSLO-UHFFFAOYSA-N 0 0 401.894 3.346 50 0 HGAARN O=C(CN1CCN(CCOc2ccc3ccccc3c2)CC1)N1CCc2ccccc21 ZINC000052928738 568913909 /nfs/dbraw/zinc/91/39/09/568913909.db2.gz GUCUJDFDYSXAPU-UHFFFAOYSA-N 0 0 415.537 3.426 50 0 HGAARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000003548129 568914415 /nfs/dbraw/zinc/91/44/15/568914415.db2.gz LZAXPHFTEVAJJC-UHFFFAOYSA-N 0 0 415.439 3.200 50 0 HGAARN COc1cccc(CN2C[C@H](OCC3CC3)CN(C(=O)c3cccs3)CC2=O)c1 ZINC000014541922 568915632 /nfs/dbraw/zinc/91/56/32/568915632.db2.gz NEROMCYNKAQWCY-IBGZPJMESA-N 0 0 414.527 3.037 50 0 HGAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 ZINC000031141527 568915646 /nfs/dbraw/zinc/91/56/46/568915646.db2.gz PBQDQIOPPYLKQY-NRFANRHFSA-N 0 0 422.460 3.341 50 0 HGAARN NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1I ZINC000004135105 568915793 /nfs/dbraw/zinc/91/57/93/568915793.db2.gz OPYDHMVGVHSYGE-UHFFFAOYSA-N 0 0 406.179 3.389 50 0 HGAARN O=C(Cn1nnc(-c2cccc(Cl)c2)n1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000012696988 568916657 /nfs/dbraw/zinc/91/66/57/568916657.db2.gz RMZDNWMQPVAXRM-UHFFFAOYSA-N 0 0 424.892 3.305 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3C)C2)cc1 ZINC000001361882 568917158 /nfs/dbraw/zinc/91/71/58/568917158.db2.gz NLUBNFVLJAQIQG-HXUWFJFHSA-N 0 0 400.544 3.063 50 0 HGAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(C1=O)[C@H](C)CCC[C@@H]2C)c1ccc2c(c1)CCCC2 ZINC000248378602 568917389 /nfs/dbraw/zinc/91/73/89/568917389.db2.gz KBAZNBKUNVKWSN-YGFZKVPJSA-N 0 0 411.546 3.489 50 0 HGAARN C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(=O)NC1CCCC1 ZINC000012716436 568918078 /nfs/dbraw/zinc/91/80/78/568918078.db2.gz IKONSJLMRMXHLI-CQSZACIVSA-N 0 0 402.878 3.154 50 0 HGAARN O=C(c1cc2ccccc2oc1=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000031185883 568918196 /nfs/dbraw/zinc/91/81/96/568918196.db2.gz AVQFEJQTKSNVCF-UHFFFAOYSA-N 0 0 416.477 3.230 50 0 HGAARN COc1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000004165505 568918777 /nfs/dbraw/zinc/91/87/77/568918777.db2.gz NLLQKGLILMTBFL-INIZCTEOSA-N 0 0 407.875 3.071 50 0 HGAARN COc1ccccc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1 ZINC000004166679 568919369 /nfs/dbraw/zinc/91/93/69/568919369.db2.gz LOQAETWLIKHMQI-UHFFFAOYSA-N 0 0 410.434 3.089 50 0 HGAARN Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2cccs2)c2ccco2)cc1 ZINC000004519394 568919821 /nfs/dbraw/zinc/91/98/21/568919821.db2.gz KOLQMOFLZZQEEA-INIZCTEOSA-N 0 0 411.526 3.143 50 0 HGAARN Cc1nc(CN2CCN(C(=O)Cc3csc(Cc4ccccc4)n3)CC2)cs1 ZINC000031261209 568921003 /nfs/dbraw/zinc/92/10/03/568921003.db2.gz NIOJKLMETVEPMA-UHFFFAOYSA-N 0 0 412.584 3.386 50 0 HGAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cccn3-c3ccccc3)C2=O)c1 ZINC000003659398 568923467 /nfs/dbraw/zinc/92/34/67/568923467.db2.gz ZDEYQEWJKWXAQJ-ZHZULCJRSA-N 0 0 400.438 3.317 50 0 HGAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000012734863 568923873 /nfs/dbraw/zinc/92/38/73/568923873.db2.gz UQDWJCVSBFEUSZ-UHFFFAOYSA-N 0 0 413.455 3.101 50 0 HGAARN CCn1c(SC)nnc1[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000001391769 568924541 /nfs/dbraw/zinc/92/45/41/568924541.db2.gz ADGVJYZTJBRVHE-QGZVFWFLSA-N 0 0 420.535 3.421 50 0 HGAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)Cc3cn4ccsc4n3)c2)c1C ZINC000031390400 568925359 /nfs/dbraw/zinc/92/53/59/568925359.db2.gz QJUUTOVUOJBQEP-UHFFFAOYSA-N 0 0 409.471 3.248 50 0 HGAARN COc1ccc([C@@H](NC(=O)c2coc(CN3CCOCC3)c2)c2ccncc2)cc1 ZINC000670451948 568926685 /nfs/dbraw/zinc/92/66/85/568926685.db2.gz PNDBWRIRNOTEIM-JOCHJYFZSA-N 0 0 407.470 3.035 50 0 HGAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)NC(=O)c3cccc(C)c3)CC2)cc1 ZINC000012739614 568926861 /nfs/dbraw/zinc/92/68/61/568926861.db2.gz XJXXEBAWTAGHCK-QGZVFWFLSA-N 0 0 408.498 3.243 50 0 HGAARN Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3nnc4ccccn43)o2)cc1 ZINC000031505496 568927298 /nfs/dbraw/zinc/92/72/98/568927298.db2.gz QJRYUWPCYBTCFZ-QGZVFWFLSA-N 0 0 402.458 3.384 50 0 HGAARN COc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)cs2)cc1 ZINC000083952317 568927358 /nfs/dbraw/zinc/92/73/58/568927358.db2.gz MEIULRJYCSXMFM-UHFFFAOYSA-N 0 0 400.481 3.401 50 0 HGAARN CSCC[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000031511577 568927457 /nfs/dbraw/zinc/92/74/57/568927457.db2.gz JAWPUGSHJKHSQS-IBGZPJMESA-N 0 0 421.526 3.274 50 0 HGAARN CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1 ZINC000031565711 568928227 /nfs/dbraw/zinc/92/82/27/568928227.db2.gz YPEUYWKWNUKFLD-UHFFFAOYSA-N 0 0 403.482 3.303 50 0 HGAARN O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCc2sccc2C1 ZINC000012740659 568928779 /nfs/dbraw/zinc/92/87/79/568928779.db2.gz SCHSZQVTJRPQCZ-CYBMUJFWSA-N 0 0 405.317 3.448 50 0 HGAARN COc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000031661952 568929103 /nfs/dbraw/zinc/92/91/03/568929103.db2.gz HKYBFDJAKVWGHU-FQEVSTJZSA-N 0 0 403.910 3.221 50 0 HGAARN Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012741439 568929141 /nfs/dbraw/zinc/92/91/41/568929141.db2.gz PFVBTPFZHPOHMC-QHCPKHFHSA-N 0 0 419.481 3.450 50 0 HGAARN CN(C)c1ccc2c3c(ccc(N(C)C)c13)[C@](O)(C(F)(F)F)O[C@@]2(O)C(F)(F)F ZINC000001410042 568929198 /nfs/dbraw/zinc/92/91/98/568929198.db2.gz SXCCOVAVNCTXKR-HZPDHXFCSA-N 0 0 424.341 3.417 50 0 HGAARN CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](c2nccn2C)c2ccccc2)CC1=O ZINC000012741328 568929331 /nfs/dbraw/zinc/92/93/31/568929331.db2.gz UWFLCJOJDAMUGQ-XMSQKQJNSA-N 0 0 418.497 3.078 50 0 HGAARN CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)C1=O ZINC000031706815 568929416 /nfs/dbraw/zinc/92/94/16/568929416.db2.gz IZSMSDUGRCBHFE-UHFFFAOYSA-N 0 0 415.858 3.280 50 0 HGAARN CCCCc1noc([C@@H](C)Sc2nc3cc(S(N)(=O)=O)ccc3n2CC)n1 ZINC000031738429 568929992 /nfs/dbraw/zinc/92/99/92/568929992.db2.gz OIECQFWHIOIMHV-LLVKDONJSA-N 0 0 409.537 3.283 50 0 HGAARN CCOC(=O)c1cc(C)n(CC(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1C ZINC000031733563 568930011 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COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000012761283 568945835 /nfs/dbraw/zinc/94/58/35/568945835.db2.gz GQZVLTWNTZVRCI-LJQANCHMSA-N 0 0 402.878 3.021 50 0 HGAARN Cc1ccc(C)c(CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000004139167 568945978 /nfs/dbraw/zinc/94/59/78/568945978.db2.gz HMRLENFVLKIRPI-UHFFFAOYSA-N 0 0 408.483 3.196 50 0 HGAARN CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000004149163 568946712 /nfs/dbraw/zinc/94/67/12/568946712.db2.gz CUYSOOYUQBHLRP-UHFFFAOYSA-N 0 0 415.644 3.396 50 0 HGAARN CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000012763411 568947070 /nfs/dbraw/zinc/94/70/70/568947070.db2.gz JFCYDBQMYBDCJS-INIZCTEOSA-N 0 0 401.513 3.182 50 0 HGAARN COc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1S(=O)(=O)N(C)C ZINC000012764399 568947820 /nfs/dbraw/zinc/94/78/20/568947820.db2.gz PPWMYTOGPZVULR-UHFFFAOYSA-N 0 0 406.479 3.145 50 0 HGAARN COc1ccc(-c2nnc3ccc(SCC(=O)NCCc4ccccc4)nn32)cc1 ZINC000004164977 568947874 /nfs/dbraw/zinc/94/78/74/568947874.db2.gz FNWURNLKXWXMTP-UHFFFAOYSA-N 0 0 419.510 3.251 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000012765519 568948094 /nfs/dbraw/zinc/94/80/94/568948094.db2.gz AKHYVLFCMAJLIW-TZMCWYRMSA-N 0 0 412.861 3.441 50 0 HGAARN COc1cc(OC)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1Cl ZINC000012765590 568948354 /nfs/dbraw/zinc/94/83/54/568948354.db2.gz DJXFXKKIRIYQQQ-UHFFFAOYSA-N 0 0 402.834 3.259 50 0 HGAARN O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012766582 568949103 /nfs/dbraw/zinc/94/91/03/568949103.db2.gz TYZRSRHOJCKRMM-CYBMUJFWSA-N 0 0 410.186 3.495 50 0 HGAARN COc1ccc(C(=O)NCc2cc(OC)c(OC)cc2OC)cc1Br ZINC000012767700 568949302 /nfs/dbraw/zinc/94/93/02/568949302.db2.gz PCNKFNVEHFYZQV-UHFFFAOYSA-N 0 0 410.264 3.414 50 0 HGAARN CCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004182946 568949390 /nfs/dbraw/zinc/94/93/90/568949390.db2.gz GIWQMOMCFXRJRX-LJQANCHMSA-N 0 0 417.527 3.314 50 0 HGAARN CCc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004183122 568949495 /nfs/dbraw/zinc/94/94/95/568949495.db2.gz RYPKSDYBSUXDBB-IBGZPJMESA-N 0 0 421.946 3.497 50 0 HGAARN COc1cc(OC)c(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)cc1Cl ZINC000012770261 568951000 /nfs/dbraw/zinc/95/10/00/568951000.db2.gz NFZKOBBEUXASDP-UHFFFAOYSA-N 0 0 421.910 3.315 50 0 HGAARN COC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc21 ZINC000084633095 568953830 /nfs/dbraw/zinc/95/38/30/568953830.db2.gz PMCMRSGOTPRPJN-UHFFFAOYSA-N 0 0 413.459 3.081 50 0 HGAARN COc1ccc(Cn2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000004248784 568953955 /nfs/dbraw/zinc/95/39/55/568953955.db2.gz GSZFMEJJQBQJCH-UHFFFAOYSA-N 0 0 411.483 3.077 50 0 HGAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000015611029 568954744 /nfs/dbraw/zinc/95/47/44/568954744.db2.gz GPFLUNFPXFYULW-QFIPXVFZSA-N 0 0 422.506 3.450 50 0 HGAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)c1cnc(N2CCCCC2)s1 ZINC000084678442 568955527 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O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(-c3ccsc3)o2)cc1 ZINC000575611799 569032485 /nfs/dbraw/zinc/03/24/85/569032485.db2.gz XDKVJBHQKRUWFE-UHFFFAOYSA-N 0 0 416.480 3.140 50 0 HGAARN COc1cc(C(=O)N2CCC[C@@H](Oc3ccncc3Cl)C2)cc(OC)c1OC ZINC000575611969 569032553 /nfs/dbraw/zinc/03/25/53/569032553.db2.gz HPCPWJCCALIGDM-CQSZACIVSA-N 0 0 406.866 3.444 50 0 HGAARN Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccccc3)s2)cc1C ZINC000006215790 569033214 /nfs/dbraw/zinc/03/32/14/569033214.db2.gz XNZDYLWSAVTUSA-UHFFFAOYSA-N 0 0 401.513 3.424 50 0 HGAARN O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)N1CCOCC1 ZINC000006216788 569033291 /nfs/dbraw/zinc/03/32/91/569033291.db2.gz VJJLHYYIRAWCRF-UHFFFAOYSA-N 0 0 413.543 3.238 50 0 HGAARN Cc1cc(OC[C@@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)c(C(C)C)cc1Cl ZINC000063901532 569033614 /nfs/dbraw/zinc/03/36/14/569033614.db2.gz QMECXDIEICFUGZ-XOBRGWDASA-N 0 0 411.951 3.394 50 0 HGAARN COc1cc(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O ZINC000053800957 569034535 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Cc1ccc(-n2cc(C3=CCN(CC(=O)NCc4cccnc4)CC3)cn2)cc1C ZINC000035403561 569035622 /nfs/dbraw/zinc/03/56/22/569035622.db2.gz MJQNWWDWMMWOIN-UHFFFAOYSA-N 0 0 401.514 3.290 50 0 HGAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)s2)cc1 ZINC000035405652 569035882 /nfs/dbraw/zinc/03/58/82/569035882.db2.gz ZUGKRPXSGMZWFK-UHFFFAOYSA-N 0 0 408.545 3.251 50 0 HGAARN CCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006264169 569036198 /nfs/dbraw/zinc/03/61/98/569036198.db2.gz XFEVYGOFGKAHNI-LEOXJPRUSA-N 0 0 402.535 3.390 50 0 biogenic HGAARN COc1cc2[nH]c3c(ncn(CC(=O)Nc4ccc(Cl)cc4)c3=O)c2cc1OC ZINC000035423663 569036410 /nfs/dbraw/zinc/03/64/10/569036410.db2.gz HVEJTOUWORJORO-UHFFFAOYSA-N 0 0 412.833 3.187 50 0 HGAARN Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NC4CCCC4)nc23)cc1 ZINC000035424853 569036492 /nfs/dbraw/zinc/03/64/92/569036492.db2.gz XHNXJDREJIFSJY-UHFFFAOYSA-N 0 0 417.469 3.204 50 0 HGAARN Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccccc4Cl)CC3)NC2=O)cc1C ZINC000035430669 569036711 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HGAARN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC000229425253 569040426 /nfs/dbraw/zinc/04/04/26/569040426.db2.gz YJTMPSIHMPPBFN-IRVDJHDASA-N 0 0 406.592 3.336 50 0 HGAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000229384583 569040434 /nfs/dbraw/zinc/04/04/34/569040434.db2.gz FDMNLQOYEUXJEF-QWFCFKBJSA-N 0 0 417.465 3.217 50 0 HGAARN C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]3COc4ccccc4O3)cc2F)C[C@@H](C)O1 ZINC000229762659 569040751 /nfs/dbraw/zinc/04/07/51/569040751.db2.gz LEPQKQBQYULKRX-INMHGKMJSA-N 0 0 415.465 3.401 50 0 HGAARN COC(=O)c1sccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000035506380 569040905 /nfs/dbraw/zinc/04/09/05/569040905.db2.gz SPBQPGPXHQABPO-CYBMUJFWSA-N 0 0 422.462 3.388 50 0 HGAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1 ZINC000089267822 569041074 /nfs/dbraw/zinc/04/10/74/569041074.db2.gz RGSLMUHLAIKATD-UHFFFAOYSA-N 0 0 418.515 3.277 50 0 HGAARN Cn1nc(N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)ccc1=O ZINC000090592432 569041439 /nfs/dbraw/zinc/04/14/39/569041439.db2.gz RZCVQRGEVVPVGG-LLVKDONJSA-N 0 0 414.815 3.308 50 0 HGAARN Cc1ccc(NC(=O)CN2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)cc1 ZINC000012974077 569041814 /nfs/dbraw/zinc/04/18/14/569041814.db2.gz BOUVIWZKYIIDNS-UHFFFAOYSA-N 0 0 415.921 3.119 50 0 HGAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012975115 569041870 /nfs/dbraw/zinc/04/18/70/569041870.db2.gz CMLDFRQLBHQRPW-KRWDZBQOSA-N 0 0 418.534 3.364 50 0 HGAARN CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1cccc(Br)c1)CS2 ZINC000090609791 569042520 /nfs/dbraw/zinc/04/25/20/569042520.db2.gz DVENVVVGWSXSHQ-NSHDSACASA-N 0 0 408.321 3.237 50 0 HGAARN Cc1nccn1C[C@H](C)C(=O)NCc1nc2cccnc2n1Cc1ccc(C)cc1 ZINC000035510793 569042966 /nfs/dbraw/zinc/04/29/66/569042966.db2.gz YZPYCKQPFHTCPX-KRWDZBQOSA-N 0 0 402.502 3.245 50 0 HGAARN O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000006328948 569043746 /nfs/dbraw/zinc/04/37/46/569043746.db2.gz KJABCUPDAVIIOV-GFCCVEGCSA-N 0 0 404.369 3.051 50 0 HGAARN CS(=O)(=O)Cc1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 ZINC000064091632 569043791 /nfs/dbraw/zinc/04/37/91/569043791.db2.gz HAHQPUKRAYKIJL-MRXNPFEDSA-N 0 0 424.931 3.326 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3C)CC2)cc1 ZINC000035531512 569044399 /nfs/dbraw/zinc/04/43/99/569044399.db2.gz GKHYCUTUBOLNFE-UHFFFAOYSA-N 0 0 400.544 3.411 50 0 HGAARN Cc1nc(-c2cc(NC(=O)CNC(=O)Cc3ccc(Cl)cc3)c(C)s2)no1 ZINC000035554513 569044632 /nfs/dbraw/zinc/04/46/32/569044632.db2.gz KFCXFCBUTBRDON-UHFFFAOYSA-N 0 0 404.879 3.366 50 0 HGAARN COc1cccc(CNC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)c1 ZINC000035559818 569044933 /nfs/dbraw/zinc/04/49/33/569044933.db2.gz URVIBCOAPVURGV-UHFFFAOYSA-N 0 0 420.538 3.456 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCc3ccccc3)n2C)c1 ZINC000035561015 569044957 /nfs/dbraw/zinc/04/49/57/569044957.db2.gz QUQQLXHFOYIXSZ-UHFFFAOYSA-N 0 0 413.543 3.181 50 0 HGAARN CCOc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)CC2)cc1 ZINC000035562187 569045103 /nfs/dbraw/zinc/04/51/03/569045103.db2.gz CIBAYWZRQPPXIK-UHFFFAOYSA-N 0 0 407.470 3.173 50 0 HGAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)[C@H](c3ccco3)C2)cc1 ZINC000006360019 569045251 /nfs/dbraw/zinc/04/52/51/569045251.db2.gz FDMNLQOYEUXJEF-NSHGMRRFSA-N 0 0 417.465 3.217 50 0 HGAARN O=C(c1csc(Nc2cccc(Cl)c2)n1)N1CCN(c2ncccn2)CC1 ZINC000035596748 569045504 /nfs/dbraw/zinc/04/55/04/569045504.db2.gz CUSJQLJTDZIHOX-UHFFFAOYSA-N 0 0 400.895 3.293 50 0 HGAARN Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000035597694 569045809 /nfs/dbraw/zinc/04/58/09/569045809.db2.gz OSGDKKYNIDEWOX-UHFFFAOYSA-N 0 0 406.439 3.049 50 0 HGAARN Cc1nc(-c2ccc(CCNC(=O)Cn3c(C)nc4ccccc4c3=O)cc2)cs1 ZINC000012981130 569046869 /nfs/dbraw/zinc/04/68/69/569046869.db2.gz PFUIBJSTJBTKIS-UHFFFAOYSA-N 0 0 418.522 3.496 50 0 HGAARN O=C(CSc1nnnn1C1CCCCC1)NCc1ccccc1OC(F)(F)F ZINC000012988866 569047565 /nfs/dbraw/zinc/04/75/65/569047565.db2.gz WVCLDNABXJBXJH-UHFFFAOYSA-N 0 0 415.441 3.485 50 0 HGAARN Cc1ccc(-c2nnn(CC(=O)Nc3cc(F)ccc3OCC(F)(F)F)n2)cc1 ZINC000012985416 569047774 /nfs/dbraw/zinc/04/77/74/569047774.db2.gz ODKXDRQDFNDDOT-UHFFFAOYSA-N 0 0 409.343 3.367 50 0 HGAARN CCCc1ccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 ZINC000012985948 569047839 /nfs/dbraw/zinc/04/78/39/569047839.db2.gz SNVBDRBQBUUYNQ-JOCHJYFZSA-N 0 0 421.549 3.202 50 0 HGAARN COC(=O)c1ccc(-c2ccco2)n1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000006871336 569048156 /nfs/dbraw/zinc/04/81/56/569048156.db2.gz QATBDKSREPSZGI-AWEZNQCLSA-N 0 0 410.426 3.183 50 0 HGAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000013003124 569049285 /nfs/dbraw/zinc/04/92/85/569049285.db2.gz FGHMBXNCNQSUFN-QGZVFWFLSA-N 0 0 416.481 3.388 50 0 HGAARN O=C(NCc1ccccc1CN1CCOCC1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000013003923 569049367 /nfs/dbraw/zinc/04/93/67/569049367.db2.gz BQVSVQHEPZDOJB-UHFFFAOYSA-N 0 0 416.525 3.123 50 0 HGAARN COc1ccc(CCN2C[C@H](C(=O)Nc3cc(F)ccc3F)CC2=O)cc1OC ZINC000013004008 569049446 /nfs/dbraw/zinc/04/94/46/569049446.db2.gz WOEBWIYJLBPXCQ-CQSZACIVSA-N 0 0 404.413 3.012 50 0 HGAARN COC(=O)c1ccc(CN2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)cc1 ZINC000013011217 569050155 /nfs/dbraw/zinc/05/01/55/569050155.db2.gz ZLVVCJWOLLDTRC-UHFFFAOYSA-N 0 0 404.413 3.033 50 0 HGAARN Cc1nccn1-c1cc(CNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccn1 ZINC000053397894 569052780 /nfs/dbraw/zinc/05/27/80/569052780.db2.gz AMKSWGYLQAAAKA-ROUUACIJSA-N 0 0 419.529 3.115 50 0 HGAARN COc1ccc(COC(=O)[C@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)cc1F ZINC000006450394 569053036 /nfs/dbraw/zinc/05/30/36/569053036.db2.gz UTVADMXXLGRNCX-DYESRHJHSA-N 0 0 401.459 3.468 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@@H]4CCCC[C@H]4C3)C2)cc1 ZINC000238950795 569053906 /nfs/dbraw/zinc/05/39/06/569053906.db2.gz ZOHPBAKJKWPQEB-UFYCRDLUSA-N 0 0 404.576 3.434 50 0 HGAARN CSC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000239328983 569054227 /nfs/dbraw/zinc/05/42/27/569054227.db2.gz JYWZUYPZYGFAOW-NCXUSEDFSA-N 0 0 400.544 3.087 50 0 HGAARN CCc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(C)cc4)N4CCC[C@@H]34)C2O)cc1 ZINC000245327347 569056047 /nfs/dbraw/zinc/05/60/47/569056047.db2.gz ONUBWOOSJJPPIG-CMOCDZPBSA-N 0 0 402.494 3.393 50 0 HGAARN CCc1ccc2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 ZINC000035741525 569057225 /nfs/dbraw/zinc/05/72/25/569057225.db2.gz DSYCQXGWBCCMHP-UHFFFAOYSA-N 0 0 406.482 3.402 50 0 HGAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000248097252 569057588 /nfs/dbraw/zinc/05/75/88/569057588.db2.gz IPEAJXZTUBESII-PMECCGAFSA-N 0 0 421.884 3.080 50 0 HGAARN CCOCCCNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000006464171 569057821 /nfs/dbraw/zinc/05/78/21/569057821.db2.gz LYRLAMAQUCJRQU-UHFFFAOYSA-N 0 0 418.559 3.426 50 0 HGAARN O=C(Cc1cccs1)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C1CC1 ZINC000035766998 569058090 /nfs/dbraw/zinc/05/80/90/569058090.db2.gz 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ZINC000054173026 569059981 /nfs/dbraw/zinc/05/99/81/569059981.db2.gz QIAWDSADYHUEPR-UHFFFAOYSA-N 0 0 402.424 3.312 50 0 HGAARN COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C)cc2)cc1 ZINC000016597950 569060443 /nfs/dbraw/zinc/06/04/43/569060443.db2.gz OHUDFTBIMJLQNX-GOSISDBHSA-N 0 0 408.545 3.042 50 0 HGAARN COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000016601808 569060549 /nfs/dbraw/zinc/06/05/49/569060549.db2.gz CIYZSIPLLUEVLK-UHFFFAOYSA-N 0 0 424.522 3.412 50 0 HGAARN CCS(=O)(=O)Oc1ccc(-c2nc3cc(C)ccc3o2)cc1CN1CCOCC1 ZINC000035805849 569060626 /nfs/dbraw/zinc/06/06/26/569060626.db2.gz KYIFBZSAUZFMIT-UHFFFAOYSA-N 0 0 416.499 3.364 50 0 HGAARN CCOc1ccc(CN=Nc2nc(NCc3ccccc3)nc(N(C)C)n2)cc1OC ZINC000252620855 569060825 /nfs/dbraw/zinc/06/08/25/569060825.db2.gz MNPUDACPCFIQNL-UHFFFAOYSA-N 0 0 421.505 3.403 50 0 HGAARN Cc1cccc(Oc2ccc(NC(=O)CN3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)c1 ZINC000016629385 569061050 /nfs/dbraw/zinc/06/10/50/569061050.db2.gz SVMRPSNYKQTITA-QFIPXVFZSA-N 0 0 423.513 3.049 50 0 HGAARN Cc1cccc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCC3)c1C ZINC000006504464 569061655 /nfs/dbraw/zinc/06/16/55/569061655.db2.gz MTGZKFORJXYCAT-UHFFFAOYSA-N 0 0 417.556 3.235 50 0 HGAARN Cc1ccc2[nH]c(SCc3cccc(S(=O)(=O)N4CCOCC4)c3)nc2c1 ZINC000006506656 569061718 /nfs/dbraw/zinc/06/17/18/569061718.db2.gz MKRUSPOTEZUBOL-UHFFFAOYSA-N 0 0 403.529 3.185 50 0 HGAARN C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC1=CCCCC1 ZINC000006508990 569061907 /nfs/dbraw/zinc/06/19/07/569061907.db2.gz VUKKWXNQOAKOSF-SGGRRFJASA-N 0 0 416.562 3.257 50 0 HGAARN COc1ccc(C)cc1-n1nnnc1SCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000006536374 569064326 /nfs/dbraw/zinc/06/43/26/569064326.db2.gz DRAKPUPPVCBMJD-UHFFFAOYSA-N 0 0 414.878 3.162 50 0 HGAARN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1 ZINC000006549677 569064888 /nfs/dbraw/zinc/06/48/88/569064888.db2.gz RLERUSJNHLDZAJ-UHFFFAOYSA-N 0 0 416.524 3.425 50 0 HGAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000006552327 569065277 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HGAARN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3cccc(C)c3)s2)cc1 ZINC000006818334 569138304 /nfs/dbraw/zinc/13/83/04/569138304.db2.gz AMXPQZAKDUVTLI-UHFFFAOYSA-N 0 0 402.501 3.232 50 0 HGAARN CC[C@H](C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1)c1ccccc1 ZINC000006818290 569138339 /nfs/dbraw/zinc/13/83/39/569138339.db2.gz XENQPYGPMKCTTC-INIZCTEOSA-N 0 0 416.528 3.496 50 0 HGAARN Cc1cccc(Cc2nnc(CCNS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]2)c1 ZINC000064969848 569138644 /nfs/dbraw/zinc/13/86/44/569138644.db2.gz MSMDECLUNVWXOY-UHFFFAOYSA-N 0 0 408.886 3.017 50 0 HGAARN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000006817979 569138774 /nfs/dbraw/zinc/13/87/74/569138774.db2.gz HBLYTGLFBVUOCL-CYBMUJFWSA-N 0 0 414.512 3.239 50 0 HGAARN O=C(Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccccc1Cl ZINC000006818007 569138904 /nfs/dbraw/zinc/13/89/04/569138904.db2.gz GLCYZPLMCFAEIQ-UHFFFAOYSA-N 0 0 400.913 3.009 50 0 HGAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c(Br)c1 ZINC000006818939 569139077 /nfs/dbraw/zinc/13/90/77/569139077.db2.gz ZMDFDVHVGZCWJX-UHFFFAOYSA-N 0 0 403.323 3.078 50 0 HGAARN Cc1ccc(C2=NN(C(=O)CN3CCC(C(N)=O)CC3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000036343063 569142177 /nfs/dbraw/zinc/14/21/77/569142177.db2.gz WBLXJFIYVROAHO-QHCPKHFHSA-N 0 0 418.541 3.178 50 0 HGAARN COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCCC2)c(OC)c1 ZINC000036344474 569142696 /nfs/dbraw/zinc/14/26/96/569142696.db2.gz XVZXLODUXOEPBJ-NRFANRHFSA-N 0 0 423.513 3.486 50 0 HGAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCC3)Oc3ccc(C)cc32)cc1 ZINC000064985777 569144867 /nfs/dbraw/zinc/14/48/67/569144867.db2.gz LGXJNSZWCFEXSR-NRFANRHFSA-N 0 0 414.527 3.319 50 0 HGAARN CCc1cccc(CC)c1NC(=O)Cn1c2ccccc2nc(N(C)C(C)=O)c1=O ZINC000064987537 569145297 /nfs/dbraw/zinc/14/52/97/569145297.db2.gz SGHNIFQADHBMQY-UHFFFAOYSA-N 0 0 406.486 3.143 50 0 HGAARN CCOCCCNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2 ZINC000064990771 569146550 /nfs/dbraw/zinc/14/65/50/569146550.db2.gz VZTRLNIPHBCOHZ-UHFFFAOYSA-N 0 0 411.502 3.124 50 0 HGAARN COc1cccc(CC(=O)NCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064991052 569146795 /nfs/dbraw/zinc/14/67/95/569146795.db2.gz RIEWVQIVBOYKQH-UHFFFAOYSA-N 0 0 416.890 3.311 50 0 HGAARN COc1cc(NC(=O)NCc2nnc(C(=O)Nc3ccccc3)s2)cc(OC)c1 ZINC000064991451 569146855 /nfs/dbraw/zinc/14/68/55/569146855.db2.gz XPJBCKGOQITMMM-UHFFFAOYSA-N 0 0 413.459 3.129 50 0 HGAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nnc(C)s3)c3ccccc3C(=O)N2C)cc1 ZINC000036352610 569147410 /nfs/dbraw/zinc/14/74/10/569147410.db2.gz OLNYFBWQNDSHJB-ROUUACIJSA-N 0 0 408.483 3.404 50 0 HGAARN COc1cc(OC)c2c(C)c(CC(=O)Nc3nnc(C(C)(C)C)s3)c(=O)oc2c1 ZINC000036357686 569150040 /nfs/dbraw/zinc/15/00/40/569150040.db2.gz RAUBLIPLWFHNEV-UHFFFAOYSA-N 0 0 417.487 3.449 50 0 HGAARN CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)N3CCOCC3)c2C1 ZINC000065000885 569151055 /nfs/dbraw/zinc/15/10/55/569151055.db2.gz ZIAGDZMYUKLYFE-UHFFFAOYSA-N 0 0 414.889 3.118 50 0 HGAARN CCOc1ccccc1OCCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000006840040 569151279 /nfs/dbraw/zinc/15/12/79/569151279.db2.gz DQVNCSWHHSOAMO-UHFFFAOYSA-N 0 0 420.531 3.442 50 0 HGAARN COc1ccc(-c2nnsc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000036365433 569152204 /nfs/dbraw/zinc/15/22/04/569152204.db2.gz NCDQYNWPPBOKFH-UHFFFAOYSA-N 0 0 410.499 3.185 50 0 HGAARN CCn1c(CN(C)C(=O)Nc2cccc(OC)c2)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008221 569152895 /nfs/dbraw/zinc/15/28/95/569152895.db2.gz WLXMNQBUYZLOPJ-UHFFFAOYSA-N 0 0 409.490 3.431 50 0 HGAARN CCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C ZINC000036370081 569153915 /nfs/dbraw/zinc/15/39/15/569153915.db2.gz TVXBGSPKTBUSLN-UHFFFAOYSA-N 0 0 421.457 3.312 50 0 biogenic HGAARN O=C(NCCCc1ccccc1)c1cnn2c1nccc2-c1ccc2c(c1)OCO2 ZINC000065026767 569155719 /nfs/dbraw/zinc/15/57/19/569155719.db2.gz RNFHXOFXUXWSRG-UHFFFAOYSA-N 0 0 400.438 3.488 50 0 HGAARN CCc1cccc(NC(=O)[C@H](CC)n2cnc3nc(N4CCCCC4)ncc3c2=O)c1 ZINC000065026777 569155796 /nfs/dbraw/zinc/15/57/96/569155796.db2.gz NCWWHKUAKRNKMF-IBGZPJMESA-N 0 0 420.517 3.329 50 0 HGAARN Cc1cccc(CNC(=O)c2nc3c4ccccc4oc3c(N3CCOCC3)n2)c1 ZINC000065024974 569156079 /nfs/dbraw/zinc/15/60/79/569156079.db2.gz DJZRXFXAVUNUCD-UHFFFAOYSA-N 0 0 402.454 3.451 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1C ZINC000065034728 569158331 /nfs/dbraw/zinc/15/83/31/569158331.db2.gz GCTNGCIIEVEWJG-UHFFFAOYSA-N 0 0 411.527 3.348 50 0 HGAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000006862446 569158382 /nfs/dbraw/zinc/15/83/82/569158382.db2.gz UGASGRKDEMMREQ-UHFFFAOYSA-N 0 0 420.872 3.337 50 0 HGAARN COc1cccc(N2CCN(C(=O)Cn3cccc3-c3nnc(C4CCC4)o3)CC2)c1 ZINC000065035765 569158515 /nfs/dbraw/zinc/15/85/15/569158515.db2.gz PUTDZUMJQSXXNH-UHFFFAOYSA-N 0 0 421.501 3.163 50 0 HGAARN CC(C)CCn1c2nnc(CCCC(=O)N3CCCC3)n2c2ccsc2c1=O ZINC000006868501 569159413 /nfs/dbraw/zinc/15/94/13/569159413.db2.gz GQNVOYVOKNTJBI-UHFFFAOYSA-N 0 0 401.536 3.097 50 0 HGAARN COc1ccc(C(=O)N2CCC3(CC2)NC(c2ccc(Cl)cc2)=NO3)cc1OC ZINC000169755071 569160350 /nfs/dbraw/zinc/16/03/50/569160350.db2.gz KRCPJERKQQTRAM-UHFFFAOYSA-N 0 0 415.877 3.271 50 0 HGAARN Cc1cc(C)n(CCC(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)n1 ZINC000169753529 569160693 /nfs/dbraw/zinc/16/06/93/569160693.db2.gz VFBINDMMNRQPGP-LJQANCHMSA-N 0 0 410.497 3.204 50 0 HGAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4cccc(OC)c4)C3)n[nH]2)cc1 ZINC000169753928 569160867 /nfs/dbraw/zinc/16/08/67/569160867.db2.gz FKHQILRMZTYSAI-SFHVURJKSA-N 0 0 406.486 3.493 50 0 HGAARN COc1cc(OC)cc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1 ZINC000169754080 569161014 /nfs/dbraw/zinc/16/10/14/569161014.db2.gz LPYKDOVLUKJLAV-KRWDZBQOSA-N 0 0 410.449 3.242 50 0 HGAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4ccc(OC)cc4C)C3)n[nH]2)cc1 ZINC000169754300 569161044 /nfs/dbraw/zinc/16/10/44/569161044.db2.gz YKRPNJDBUWDCIG-QGZVFWFLSA-N 0 0 406.486 3.411 50 0 HGAARN COc1ccc(CC(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OC ZINC000169754073 569161064 /nfs/dbraw/zinc/16/10/64/569161064.db2.gz VFVRHRGSEFDIMD-GOSISDBHSA-N 0 0 424.476 3.171 50 0 HGAARN COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccc(N(C)C)cc4)C3)n[nH]2)cc1 ZINC000169759554 569161338 /nfs/dbraw/zinc/16/13/38/569161338.db2.gz MNYCRWDUGLARQY-SFHVURJKSA-N 0 0 405.502 3.160 50 0 HGAARN O=C(c1cccc2[nH]ccc21)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000169760282 569161726 /nfs/dbraw/zinc/16/17/26/569161726.db2.gz GQPPXNJEGGTKRS-UHFFFAOYSA-N 0 0 400.486 3.052 50 0 HGAARN COc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)cc1OC ZINC000169760336 569161779 /nfs/dbraw/zinc/16/17/79/569161779.db2.gz AMIAZJPBXQNUBK-OAQYLSRUSA-N 0 0 423.425 3.153 50 0 HGAARN COc1ccc([C@H]2NC(=O)N(Cc3nc(C4CCCCC4)no3)C3=C2C(=O)OC3)cc1 ZINC000169760819 569161831 /nfs/dbraw/zinc/16/18/31/569161831.db2.gz BIQNFUTXSJYVND-LJQANCHMSA-N 0 0 424.457 3.203 50 0 HGAARN CCC(CC)c1nc(CN2C3=C(C(=O)OC3)[C@H](c3ccc(OC)cc3)NC2=O)no1 ZINC000169760821 569161835 /nfs/dbraw/zinc/16/18/35/569161835.db2.gz PQQKTDACFBRRSE-SFHVURJKSA-N 0 0 412.446 3.059 50 0 HGAARN CCC(CC)c1nc(CN2C3=C(C(=O)OC3)[C@@H](c3ccc(OC)cc3)NC2=O)no1 ZINC000169760820 569161840 /nfs/dbraw/zinc/16/18/40/569161840.db2.gz PQQKTDACFBRRSE-GOSISDBHSA-N 0 0 412.446 3.059 50 0 HGAARN COc1ccc(CCNC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1OC ZINC000006872978 569162329 /nfs/dbraw/zinc/16/23/29/569162329.db2.gz KPJYLCVPGJHRIA-HXUWFJFHSA-N 0 0 410.514 3.433 50 0 HGAARN Cc1noc2nc(CCC(=O)NCc3cccnc3)nc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000065056622 569162874 /nfs/dbraw/zinc/16/28/74/569162874.db2.gz BYCDGNSLYLLNHB-GASCZTMLSA-N 0 0 408.506 3.053 50 0 HGAARN COc1ccc(NC(=O)Nc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1OC ZINC000065060738 569164766 /nfs/dbraw/zinc/16/47/66/569164766.db2.gz JIAMYUUMXOLJDP-UHFFFAOYSA-N 0 0 402.357 3.172 50 0 HGAARN Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000065061481 569165194 /nfs/dbraw/zinc/16/51/94/569165194.db2.gz BCNGPHHXSOBCNG-HNNXBMFYSA-N 0 0 423.579 3.335 50 0 HGAARN O=C(COC(=O)C1CCN(C(=O)NCc2ccco2)CC1)c1ccc(Cl)cc1 ZINC000036392988 569168049 /nfs/dbraw/zinc/16/80/49/569168049.db2.gz NWJPYTYSPFNRIQ-UHFFFAOYSA-N 0 0 404.850 3.281 50 0 HGAARN C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc(Br)c1 ZINC000036393427 569168101 /nfs/dbraw/zinc/16/81/01/569168101.db2.gz PPSUDSWFMNRRQY-CYBMUJFWSA-N 0 0 403.276 3.442 50 0 HGAARN C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000036396421 569169066 /nfs/dbraw/zinc/16/90/66/569169066.db2.gz WJKNAGQIBLYPRJ-ZDUSSCGKSA-N 0 0 409.891 3.078 50 0 HGAARN Cc1ccccc1-c1nc(-c2ccc3c(c2)nnn3CCC(=O)N2CCCC2)no1 ZINC000065075951 569169160 /nfs/dbraw/zinc/16/91/60/569169160.db2.gz FUWPWEZQQHVTNQ-UHFFFAOYSA-N 0 0 402.458 3.469 50 0 HGAARN C[C@H](CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077319 569170269 /nfs/dbraw/zinc/17/02/69/569170269.db2.gz RTZBBAXQZZKXOG-GFCCVEGCSA-N 0 0 422.503 3.451 50 0 HGAARN C[C@H](CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077540 569170412 /nfs/dbraw/zinc/17/04/12/569170412.db2.gz NSSKQDLHPHEMGI-CYBMUJFWSA-N 0 0 404.513 3.312 50 0 HGAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cccc(C[NH+]2CCCC2)c1 ZINC000006887843 569171421 /nfs/dbraw/zinc/17/14/21/569171421.db2.gz VFEVSVKKSWAYIH-UHFFFAOYSA-N 0 0 405.520 3.205 50 0 HGAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000169772779 569172044 /nfs/dbraw/zinc/17/20/44/569172044.db2.gz VASMFYGVXAJNDQ-AWEZNQCLSA-N 0 0 421.888 3.409 50 0 HGAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(F)ccc4F)ccn3n2)c(C)c1 ZINC000169775712 569172084 /nfs/dbraw/zinc/17/20/84/569172084.db2.gz XLIWVNLGCLBQFM-UHFFFAOYSA-N 0 0 422.435 3.488 50 0 HGAARN COc1ccccc1C(=O)NCCn1ccn2nc(-c3ccc(C)cc3C)cc2c1=O ZINC000169775763 569172233 /nfs/dbraw/zinc/17/22/33/569172233.db2.gz XREJITVGRKRQLG-UHFFFAOYSA-N 0 0 416.481 3.218 50 0 HGAARN O=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1c(F)cccc1Cl ZINC000169776117 569172543 /nfs/dbraw/zinc/17/25/43/569172543.db2.gz PADDHHUSGMEESD-UHFFFAOYSA-N 0 0 412.812 3.379 50 0 HGAARN CCCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2ccc(F)cc2Cl)n1 ZINC000169776198 569172665 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COc1cccc(C(=O)NCc2nnc3ccc(-c4ccc(C)c(C)c4)nn32)c1OC ZINC000169778574 569173609 /nfs/dbraw/zinc/17/36/09/569173609.db2.gz JWSKFEUANYZHFX-UHFFFAOYSA-N 0 0 417.469 3.355 50 0 HGAARN Cc1ccc(-c2ccc3nnc(CNC(=O)c4cccc(N(C)C)c4)n3n2)cc1C ZINC000169778602 569173723 /nfs/dbraw/zinc/17/37/23/569173723.db2.gz PYBNVMHYLYKJGG-UHFFFAOYSA-N 0 0 400.486 3.404 50 0 HGAARN CCc1noc(-c2cn(C3CCN(C(=O)c4cc(Cl)ccc4F)CC3)nn2)n1 ZINC000169777338 569173794 /nfs/dbraw/zinc/17/37/94/569173794.db2.gz FSACOWWCQDFFDD-UHFFFAOYSA-N 0 0 404.833 3.160 50 0 HGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)N[C@H](C)CCc1ccccc1)CCCCC3 ZINC000169780436 569174094 /nfs/dbraw/zinc/17/40/94/569174094.db2.gz AXACPWHPDKTGLT-QGZVFWFLSA-N 0 0 406.530 3.370 50 0 HGAARN O=C(Cc1ccsc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169780600 569174181 /nfs/dbraw/zinc/17/41/81/569174181.db2.gz LEJDNHCEUMJUHT-UHFFFAOYSA-N 0 0 420.498 3.463 50 0 HGAARN CCCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2cc(Cl)ccc2F)n1 ZINC000169779353 569174466 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408.437 3.271 50 0 HGAARN COc1ccc(OC)c(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)c1 ZINC000002126782 569286200 /nfs/dbraw/zinc/28/62/00/569286200.db2.gz XROOFHCCIHUINC-UHFFFAOYSA-N 0 0 409.442 3.244 50 0 biogenic HGAARN Cc1ccn(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c(=NC2CCCCC2)c1 ZINC000252457321 569286578 /nfs/dbraw/zinc/28/65/78/569286578.db2.gz YUAAFVZJWVKBHI-UHFFFAOYSA-N 0 0 419.547 3.388 50 0 HGAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2NC(=O)CN1CCOCC1 ZINC000252460320 569286709 /nfs/dbraw/zinc/28/67/09/569286709.db2.gz DMLFUNWWXDIAEI-CJJJHGRNSA-N 0 0 418.622 3.207 50 0 biogenic HGAARN COc1cc(OC)c(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1Cl ZINC000007598011 569288132 /nfs/dbraw/zinc/28/81/32/569288132.db2.gz QETLZNUFOFREFN-NSHDSACASA-N 0 0 418.833 3.078 50 0 HGAARN COC(=O)c1ccc(C2=C(C(=O)Nc3ccc(C)cc3C)[C@H](C)NC(=S)N2)cc1 ZINC000252478491 569288868 /nfs/dbraw/zinc/28/88/68/569288868.db2.gz ANRNWINARMYSES-AWEZNQCLSA-N 0 0 409.511 3.306 50 0 HGAARN COc1ccc(CNC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1OC ZINC000002147145 569289747 /nfs/dbraw/zinc/28/97/47/569289747.db2.gz JBJFQZAQCWAFJQ-UHFFFAOYSA-N 0 0 423.465 3.303 50 0 biogenic HGAARN COc1cc(CNc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc(OC)c1 ZINC000002152918 569290117 /nfs/dbraw/zinc/29/01/17/569290117.db2.gz YHIVAQJLOVDHQU-UHFFFAOYSA-N 0 0 423.469 3.113 50 0 biogenic HGAARN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CC[C@H](C)O1 ZINC000252492223 569290542 /nfs/dbraw/zinc/29/05/42/569290542.db2.gz MFYJBTUCNKYKTM-VDZJLULYSA-N 0 0 404.507 3.383 50 0 HGAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H](O)c3ccc4c(ccn4C)c3)cc2)co1 ZINC000252492449 569290584 /nfs/dbraw/zinc/29/05/84/569290584.db2.gz MMQSLSVGPYABDI-OAQYLSRUSA-N 0 0 411.483 3.154 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)C[C@H](C)O1 ZINC000012675448 569291649 /nfs/dbraw/zinc/29/16/49/569291649.db2.gz QACPFSCCCRSVAP-BETUJISGSA-N 0 0 410.442 3.015 50 0 HGAARN Cc1cccc(S(=O)(=O)NCCC(=O)NCc2ccnc(-c3cccs3)c2)c1 ZINC000252533004 569292639 /nfs/dbraw/zinc/29/26/39/569292639.db2.gz FRLVHGZGTBJICE-UHFFFAOYSA-N 0 0 415.540 3.103 50 0 HGAARN Cc1noc([C@@H]2CCCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)C2)n1 ZINC000054661343 569293476 /nfs/dbraw/zinc/29/34/76/569293476.db2.gz BOPOCRZARUYTFY-WBVHZDCISA-N 0 0 404.898 3.192 50 0 HGAARN COc1cc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc(OC)c1Br ZINC000054662054 569293520 /nfs/dbraw/zinc/29/35/20/569293520.db2.gz OSSSUWVTJMAOEK-NSHDSACASA-N 0 0 410.268 3.178 50 0 HGAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000252549267 569294012 /nfs/dbraw/zinc/29/40/12/569294012.db2.gz QZRHDYOPQQXQSV-UXHICEINSA-N 0 0 406.486 3.240 50 0 HGAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](O)C[C@H]3C)c2c1C ZINC000252584706 569294560 /nfs/dbraw/zinc/29/45/60/569294560.db2.gz CGZWOCMUWYBJQO-UKRRQHHQSA-N 0 0 418.563 3.122 50 0 HGAARN CCNC(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3sc(C)cn23)CC1 ZINC000037399469 569297507 /nfs/dbraw/zinc/29/75/07/569297507.db2.gz IXJYSQSJWBXXOL-UHFFFAOYSA-N 0 0 401.511 3.357 50 0 HGAARN Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2cnn(Cc3ccccc3)c2)n1 ZINC000037406130 569297829 /nfs/dbraw/zinc/29/78/29/569297829.db2.gz SYLACEJYGOJRKY-UHFFFAOYSA-N 0 0 414.517 3.383 50 0 HGAARN COc1cccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000007653595 569299042 /nfs/dbraw/zinc/29/90/42/569299042.db2.gz BIMFURZFEIPDSB-UHFFFAOYSA-N 0 0 400.434 3.374 50 0 HGAARN Cc1cc(OCC(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000007699137 569300979 /nfs/dbraw/zinc/30/09/79/569300979.db2.gz HQESDTAFXIZXQX-AWEZNQCLSA-N 0 0 419.861 3.219 50 0 HGAARN Cc1cc(OCC(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000007699138 569301001 /nfs/dbraw/zinc/30/10/01/569301001.db2.gz HQESDTAFXIZXQX-CQSZACIVSA-N 0 0 419.861 3.219 50 0 HGAARN COc1ccc(Br)cc1CN(C)CCN1C(=O)c2ccccc2C1=O ZINC000007696645 569301052 /nfs/dbraw/zinc/30/10/52/569301052.db2.gz GWLOTBXQPCKCNY-UHFFFAOYSA-N 0 0 403.276 3.186 50 0 HGAARN C[C@H](OC(=O)CCC1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000007701787 569301366 /nfs/dbraw/zinc/30/13/66/569301366.db2.gz QJLWVUQVWVYZRZ-HNNXBMFYSA-N 0 0 410.536 3.168 50 0 HGAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)Nc2ccccc2F)c1 ZINC000007718666 569302223 /nfs/dbraw/zinc/30/22/23/569302223.db2.gz MUVLVNRTHNXWGO-SFHVURJKSA-N 0 0 401.438 3.328 50 0 HGAARN CCN(C)C(=O)CCCN1C(=O)COc2ccc(C(=O)COc3cccc(C)c3)cc21 ZINC000037512110 569302467 /nfs/dbraw/zinc/30/24/67/569302467.db2.gz HDIAPKNBOCKOIU-UHFFFAOYSA-N 0 0 424.497 3.241 50 0 HGAARN COc1cccc(Cn2c(C(=O)N3CCN(C(C)=O)CC3)cc3sc(C)cc32)c1 ZINC000037525910 569304101 /nfs/dbraw/zinc/30/41/01/569304101.db2.gz MMWWTMHJYRCFIH-UHFFFAOYSA-N 0 0 411.527 3.372 50 0 HGAARN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nnc(C5CC5)n43)CC2)cc1 ZINC000037554818 569306292 /nfs/dbraw/zinc/30/62/92/569306292.db2.gz DNAWZONCYUZJMD-UHFFFAOYSA-N 0 0 412.497 3.426 50 0 HGAARN COc1cccc(-n2c3ncn(Cc4cccc(C)c4)c3c(=O)n(CC3CC3)c2=O)c1 ZINC000037560189 569306929 /nfs/dbraw/zinc/30/69/29/569306929.db2.gz HMMSAJMCRQAJRQ-UHFFFAOYSA-N 0 0 416.481 3.124 50 0 HGAARN COc1cc(C(C)=O)ccc1OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000007753220 569307108 /nfs/dbraw/zinc/30/71/08/569307108.db2.gz CQOIKACKQFHLKZ-UHFFFAOYSA-N 0 0 411.863 3.021 50 0 HGAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NC[C@H]2CCCO2)cc1C ZINC000007755557 569307186 /nfs/dbraw/zinc/30/71/86/569307186.db2.gz YKTMLFLPEHCEIO-GOSISDBHSA-N 0 0 423.538 3.390 50 0 HGAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O ZINC000007777908 569308816 /nfs/dbraw/zinc/30/88/16/569308816.db2.gz RKIRSMKQLLJPKI-FQEVSTJZSA-N 0 0 411.439 3.142 50 0 HGAARN CCCCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)cc2C1=O ZINC000007799205 569311199 /nfs/dbraw/zinc/31/11/99/569311199.db2.gz ZKZDBIPFDQVLBD-UHFFFAOYSA-N 0 0 407.470 3.102 50 0 HGAARN COc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccncc3)C2=O)cc1OC ZINC000002218472 569311968 /nfs/dbraw/zinc/31/19/68/569311968.db2.gz MJOBMLDVIHWSGN-XMMPIXPASA-N 0 0 418.449 3.106 50 0 HGAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002227962 569317272 /nfs/dbraw/zinc/31/72/72/569317272.db2.gz FUNRIEUWQOZGOI-IBGZPJMESA-N 0 0 407.422 3.161 50 0 HGAARN Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000002245252 569324096 /nfs/dbraw/zinc/32/40/96/569324096.db2.gz JMJFIILCJHRFRR-ZDUSSCGKSA-N 0 0 407.499 3.337 50 0 HGAARN CCOC(=O)C1=C(CSc2nccn2-c2ccccc2)NC(=O)N[C@H]1c1ccco1 ZINC000027488890 569325115 /nfs/dbraw/zinc/32/51/15/569325115.db2.gz MGVHDKGCYGKKQQ-SFHVURJKSA-N 0 0 424.482 3.429 50 0 HGAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)Cc1ccsc1 ZINC000007927122 569327428 /nfs/dbraw/zinc/32/74/28/569327428.db2.gz QUUXCXWJBUFDED-UHFFFAOYSA-N 0 0 410.337 3.006 50 0 HGAARN COC(=O)[C@@](O)(c1ccc(NC(=O)c2cccc(F)c2)c(OC)c1)C(F)(F)F ZINC000002275919 569327887 /nfs/dbraw/zinc/32/78/87/569327887.db2.gz XGHOUHREUBHFCJ-KRWDZBQOSA-N 0 0 401.312 3.010 50 0 HGAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1Cl ZINC000253400149 569365573 /nfs/dbraw/zinc/36/55/73/569365573.db2.gz KURUYPBCTGFTTH-HNNXBMFYSA-N 0 0 416.952 3.010 50 0 HGAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000253410646 569366540 /nfs/dbraw/zinc/36/65/40/569366540.db2.gz NNXPXIMLIIVFBP-NTLWEQJWSA-N 0 0 412.559 3.387 50 0 biogenic HGAARN COC(=O)Nc1cccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC000253419226 569367696 /nfs/dbraw/zinc/36/76/96/569367696.db2.gz KWXLJGRHIUTBJW-JKSUJKDBSA-N 0 0 403.479 3.194 50 0 HGAARN CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CCN1CCCS1(=O)=O ZINC000253429656 569368588 /nfs/dbraw/zinc/36/85/88/569368588.db2.gz UGXSHYSFQYRKQB-MRXNPFEDSA-N 0 0 420.497 3.204 50 0 HGAARN Cc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2C)c(C(=O)c2ccccc2)c1 ZINC000253428791 569368605 /nfs/dbraw/zinc/36/86/05/569368605.db2.gz RHHPYFUBTMWROB-UHFFFAOYSA-N 0 0 422.506 3.451 50 0 HGAARN CC1(C)CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1 ZINC000253429860 569368644 /nfs/dbraw/zinc/36/86/44/569368644.db2.gz VJOBJRHAZMVMFO-UHFFFAOYSA-N 0 0 422.355 3.344 50 0 HGAARN Cc1ccc(-n2c(N)c(C(=O)NC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000002291135 569369136 /nfs/dbraw/zinc/36/91/36/569369136.db2.gz UFLPIWUWLDEWPQ-INIZCTEOSA-N 0 0 401.470 3.373 50 0 HGAARN COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCCC(C)(C)C1 ZINC000002293352 569369277 /nfs/dbraw/zinc/36/92/77/569369277.db2.gz BRHJWQOQOHEDBZ-UHFFFAOYSA-N 0 0 403.479 3.032 50 0 HGAARN COC[C@H](C)OC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 ZINC000002297307 569369586 /nfs/dbraw/zinc/36/95/86/569369586.db2.gz BIGUQOQFURNUBW-AWEZNQCLSA-N 0 0 420.469 3.415 50 0 HGAARN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027543632 569371958 /nfs/dbraw/zinc/37/19/58/569371958.db2.gz NJFUFISCOLQYIF-HNNXBMFYSA-N 0 0 424.442 3.457 50 0 HGAARN CCOCCCNC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002314670 569373117 /nfs/dbraw/zinc/37/31/17/569373117.db2.gz XLTIZXGAYVEYEB-UHFFFAOYSA-N 0 0 419.485 3.321 50 0 HGAARN CC(C)c1nc2oc3c(ncnc3NCCOCCO)c2c2c1COC(C)(C)C2 ZINC000002351224 569381260 /nfs/dbraw/zinc/38/12/60/569381260.db2.gz ZZKQAAVEUBICQP-UHFFFAOYSA-N 0 0 400.479 3.167 50 0 HGAARN CO[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2o1 ZINC000253473707 569381514 /nfs/dbraw/zinc/38/15/14/569381514.db2.gz XKWRSCPQUBUHCE-HXUWFJFHSA-N 0 0 401.484 3.273 50 0 HGAARN COc1ccc2ncc(C(=O)N[C@H](CCSC)c3nnc4ccccn43)c(O)c2c1 ZINC000253496393 569381803 /nfs/dbraw/zinc/38/18/03/569381803.db2.gz JSKMNKLRZAZDFW-QGZVFWFLSA-N 0 0 423.498 3.216 50 0 HGAARN COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccccc1C(F)(F)F)CC2 ZINC000002356922 569385467 /nfs/dbraw/zinc/38/54/67/569385467.db2.gz BHNUVSGFRWXWFG-UHFFFAOYSA-N 0 0 401.406 3.470 50 0 HGAARN COc1ccccc1-c1nc2s/c(=C\c3cccc(Br)c3)c(=O)n2n1 ZINC000002361787 569387260 /nfs/dbraw/zinc/38/72/60/569387260.db2.gz RBGCHFPCFUZISO-GDNBJRDFSA-N 0 0 414.284 3.137 50 0 HGAARN Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1F ZINC000002366328 569388123 /nfs/dbraw/zinc/38/81/23/569388123.db2.gz IDGLCVGNTUXWRU-UHFFFAOYSA-N 0 0 422.283 3.291 50 0 HGAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)c1 ZINC000002369757 569388672 /nfs/dbraw/zinc/38/86/72/569388672.db2.gz COWGPELUEMUFDF-UHFFFAOYSA-N 0 0 403.895 3.442 50 0 HGAARN O=C(N[C@H](CO)c1ccccc1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000253403292 569388955 /nfs/dbraw/zinc/38/89/55/569388955.db2.gz HBHFNMHEBDQLJC-SFGWALBWSA-N 0 0 405.498 3.053 50 0 HGAARN COCCNC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002376937 569389445 /nfs/dbraw/zinc/38/94/45/569389445.db2.gz ZPWWMKVWTBROJI-UHFFFAOYSA-N 0 0 413.840 3.325 50 0 HGAARN Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1CNS(=O)(=O)c1ccccc1 ZINC000002391723 569394052 /nfs/dbraw/zinc/39/40/52/569394052.db2.gz PLPHCFRJZQJLRS-UHFFFAOYSA-N 0 0 419.506 3.387 50 0 HGAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2F)N1CCO ZINC000002419535 569397782 /nfs/dbraw/zinc/39/77/82/569397782.db2.gz GNTFJZRWBHIRIY-INIZCTEOSA-N 0 0 418.218 3.232 50 0 HGAARN COc1cc(-c2noc(CCC(=O)Nc3ccc(F)cc3)n2)cc(OC)c1OC ZINC000002426882 569398602 /nfs/dbraw/zinc/39/86/02/569398602.db2.gz WTYXVYCZINKKNI-UHFFFAOYSA-N 0 0 401.394 3.473 50 0 HGAARN 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558407223 /nfs/dbraw/zinc/40/72/23/558407223.db2.gz ISXICCACJCIDDY-JOCHJYFZSA-N 0 0 407.470 3.327 50 0 HGAARN CSCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000020734173 558407277 /nfs/dbraw/zinc/40/72/77/558407277.db2.gz GUDUBGGNMWQXMM-MRXNPFEDSA-N 0 0 408.483 3.221 50 0 HGAARN COc1ccccc1-c1cc(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)[nH]n1 ZINC000012433762 558407666 /nfs/dbraw/zinc/40/76/66/558407666.db2.gz WKMKRKWHNSZJKS-CQSZACIVSA-N 0 0 402.458 3.465 50 0 HGAARN COc1ccccc1CNC(=O)c1cn(CCF)c2c(F)c(OC)c(F)cc2c1=O ZINC000020736268 558407885 /nfs/dbraw/zinc/40/78/85/558407885.db2.gz PBUWZFNXISFLAC-UHFFFAOYSA-N 0 0 420.387 3.196 50 0 HGAARN Cc1nnc2ccc(N3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)nn12 ZINC000020739807 558409068 /nfs/dbraw/zinc/40/90/68/558409068.db2.gz JRURPLVJVUCQDC-UHFFFAOYSA-N 0 0 404.396 3.307 50 0 HGAARN COc1cc2ncn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c2cc1OC ZINC000020744744 558409478 /nfs/dbraw/zinc/40/94/78/558409478.db2.gz FPKFPROAOVOQFW-UHFFFAOYSA-N 0 0 408.241 3.359 50 0 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COc1ccccc1CCc1nnc(CCC(=O)N[C@H](C)CCCC(C)(C)O)o1 ZINC000012459405 558418777 /nfs/dbraw/zinc/41/87/77/558418777.db2.gz LTGLBPGOLVZLSV-MRXNPFEDSA-N 0 0 403.523 3.242 50 0 HGAARN COc1ccc(CCc2nnc(CCC(=O)N3CCC([C@H](O)C(C)C)CC3)o2)cc1 ZINC000012470856 558421695 /nfs/dbraw/zinc/42/16/95/558421695.db2.gz SYRURNYQMBVKMZ-HSZRJFAPSA-N 0 0 415.534 3.052 50 0 HGAARN CCn1ccnc1CN1CCC(n2nccc2NC(=O)c2ccccc2OC)CC1 ZINC000020918204 558423131 /nfs/dbraw/zinc/42/31/31/558423131.db2.gz LSDBHIAHPHLPKA-UHFFFAOYSA-N 0 0 408.506 3.198 50 0 HGAARN C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000012507974 558424065 /nfs/dbraw/zinc/42/40/65/558424065.db2.gz ICAYNXBZQNYZLF-OKILXGFUSA-N 0 0 408.907 3.390 50 0 HGAARN COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N(C)C)cc1 ZINC000020932298 558424083 /nfs/dbraw/zinc/42/40/83/558424083.db2.gz OUMQDKXLDHQNOV-QGZVFWFLSA-N 0 0 400.862 3.488 50 0 HGAARN COc1cc(/C=C/C(=O)OCN2C(=O)c3ccccc3C2=O)ccc1OC(F)F ZINC000004340941 558424727 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Cc1ccc2c(c1)CN(CC(=O)NCc1cnn(Cc3ccccc3)c1)C[C@@H](C)O2 ZINC000014952069 568470761 /nfs/dbraw/zinc/47/07/61/568470761.db2.gz ICIADFNHUOSASX-LJQANCHMSA-N 0 0 404.514 3.139 50 0 HGAARN COc1ccccc1CCN1C[C@H](C(=O)Nc2nc(-c3ccccn3)cs2)CC1=O ZINC000218396937 568479763 /nfs/dbraw/zinc/47/97/63/568479763.db2.gz RFESATROBQWWIP-MRXNPFEDSA-N 0 0 422.510 3.243 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000000797098 568482115 /nfs/dbraw/zinc/48/21/15/568482115.db2.gz NCCSALYQONWOCP-UHFFFAOYSA-N 0 0 406.935 3.366 50 0 HGAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000022475632 568486491 /nfs/dbraw/zinc/48/64/91/568486491.db2.gz APQRLBBISVAFQX-UHFFFAOYSA-N 0 0 422.510 3.168 50 0 HGAARN O=C(NC1CCCCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000000804375 568486641 /nfs/dbraw/zinc/48/66/41/568486641.db2.gz OWRYMDCMSFUHCW-OAQYLSRUSA-N 0 0 416.518 3.390 50 0 HGAARN COc1ccc([C@H]2c3cn(C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)c(OC)c1 ZINC000604406296 568490800 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/nfs/dbraw/zinc/53/20/26/568532026.db2.gz REOMNGBXTNQJRI-VAWYXSNFSA-N 0 0 413.470 3.318 50 0 HGAARN CC(C)Cn1c(CCNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)nc2ccccc21 ZINC000223240128 568542273 /nfs/dbraw/zinc/54/22/73/568542273.db2.gz CENIIUZEXIBPOD-QGZVFWFLSA-N 0 0 404.514 3.396 50 0 HGAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)NC[C@@H]1CCCO1 ZINC000012377048 568545687 /nfs/dbraw/zinc/54/56/87/568545687.db2.gz LZZTYVCLHXDCFM-INIZCTEOSA-N 0 0 419.510 3.332 50 0 HGAARN Nc1cc(OC(=O)c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020103761 568587942 /nfs/dbraw/zinc/58/79/42/568587942.db2.gz CLNFCVPFOVEQTD-UHFFFAOYSA-N 0 0 412.254 3.228 50 0 HGAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000390829619 568591919 /nfs/dbraw/zinc/59/19/19/568591919.db2.gz FKQPOAPGDSQCCH-SFHVURJKSA-N 0 0 401.513 3.140 50 0 HGAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390831393 568592258 /nfs/dbraw/zinc/59/22/58/568592258.db2.gz ROHWDYNJWHPFBT-UHFFFAOYSA-N 0 0 412.433 3.320 50 0 HGAARN CCOC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 ZINC000020177461 568592650 /nfs/dbraw/zinc/59/26/50/568592650.db2.gz BDOJLQQDHLPITF-MBWAJUJLSA-N 0 0 409.490 3.092 50 0 HGAARN COc1cc(CN2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020271165 568596422 /nfs/dbraw/zinc/59/64/22/568596422.db2.gz YAFLTSYZQRLUQS-SFHVURJKSA-N 0 0 420.937 3.132 50 0 HGAARN NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000095350237 568600762 /nfs/dbraw/zinc/60/07/62/568600762.db2.gz ZSYJYDADDZHANL-HXUWFJFHSA-N 0 0 407.905 3.146 50 0 HGAARN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000095377662 568603290 /nfs/dbraw/zinc/60/32/90/568603290.db2.gz HTFXSKYDGSLXEM-VXGBXAGGSA-N 0 0 400.269 3.133 50 0 HGAARN COC(=O)c1cc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc(C)c1C ZINC000095393509 568604185 /nfs/dbraw/zinc/60/41/85/568604185.db2.gz SHOXIJCAYAJVPT-UHFFFAOYSA-N 0 0 424.544 3.191 50 0 HGAARN Cc1ccc(-c2cc(C(=O)NCCC(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000020397450 568604202 /nfs/dbraw/zinc/60/42/02/568604202.db2.gz NKIWDVYJZAXCRZ-GOSISDBHSA-N 0 0 403.548 3.302 50 0 HGAARN COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(CO)CC3)cc2)cc(OC)c1C ZINC000095393499 568604235 /nfs/dbraw/zinc/60/42/35/568604235.db2.gz NJUJFGITHDTEEF-UHFFFAOYSA-N 0 0 412.486 3.109 50 0 HGAARN CC(C)COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccn(C)c1=O ZINC000095410001 568606704 /nfs/dbraw/zinc/60/67/04/568606704.db2.gz WNXDGFMVIBZEEC-LJQANCHMSA-N 0 0 413.518 3.262 50 0 HGAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](n2nnc3ccccc32)C1 ZINC000020463449 568609893 /nfs/dbraw/zinc/60/98/93/568609893.db2.gz XJLPXKKDYCJBIF-CQSZACIVSA-N 0 0 410.421 3.476 50 0 HGAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)N[C@H]4CCCC[C@@H]4C)nc(C)n3n2)cc1 ZINC000020466463 568610350 /nfs/dbraw/zinc/61/03/50/568610350.db2.gz WYVWGEHTEMMYPP-KXBFYZLASA-N 0 0 407.518 3.124 50 0 HGAARN CCCCN(C)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCC(CO)CC2)cc1 ZINC000095444542 568611379 /nfs/dbraw/zinc/61/13/79/568611379.db2.gz JDCHMVKBWBIKNZ-QFIPXVFZSA-N 0 0 417.594 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568621764 /nfs/dbraw/zinc/62/17/64/568621764.db2.gz UPVFSHBLUJFRQY-AWEZNQCLSA-N 0 0 412.298 3.143 50 0 HGAARN CCOC(CNC(=O)COc1ccc(Br)cc1)(OCC)c1ccccn1 ZINC000095464917 568622847 /nfs/dbraw/zinc/62/28/47/568622847.db2.gz IYENEDNMTWOFKH-UHFFFAOYSA-N 0 0 423.307 3.265 50 0 HGAARN O=C1NC(=O)C2(CCN(Cc3sc(Sc4ccccc4)nc3Cl)CC2)N1 ZINC000095468607 568625392 /nfs/dbraw/zinc/62/53/92/568625392.db2.gz PFEZEFQBHUCNFF-UHFFFAOYSA-N 0 0 408.936 3.122 50 0 HGAARN CCn1nc(C)c(-c2cc(C(=O)NCCn3ccc4cc(OC)ccc43)[nH]n2)c1C ZINC000095472841 568628101 /nfs/dbraw/zinc/62/81/01/568628101.db2.gz OQNNRBOZKRGALF-UHFFFAOYSA-N 0 0 406.490 3.303 50 0 HGAARN C[C@@H](C(=O)NCCCc1nnc2ccccn21)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000095478584 568631688 /nfs/dbraw/zinc/63/16/88/568631688.db2.gz XUGXHTRJONRJDG-XLIONFOSSA-N 0 0 404.514 3.494 50 0 HGAARN COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C)cc1 ZINC000095478709 568631971 /nfs/dbraw/zinc/63/19/71/568631971.db2.gz VUJCPKWMZXXBQQ-FCHUYYIVSA-N 0 0 401.466 3.317 50 0 HGAARN COc1ccc2[nH]c(=O)c([C@@H]3SCC(=O)Nc4c3c(=O)[nH]n4C(C)C)cc2c1 ZINC000095479557 568632521 /nfs/dbraw/zinc/63/25/21/568632521.db2.gz IPGXZSYRNMHVSH-INIZCTEOSA-N 0 0 400.460 3.032 50 0 HGAARN COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3nnc4ccccn43)c(=O)oc2c1C ZINC000095479879 568632897 /nfs/dbraw/zinc/63/28/97/568632897.db2.gz ASIHMSKBCUDQOU-OAHLLOKOSA-N 0 0 420.469 3.271 50 0 HGAARN C[C@H]1CCC[C@H](C)N1C(=O)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000225385372 568633335 /nfs/dbraw/zinc/63/33/35/568633335.db2.gz FWPXALKDSQKIJC-ROUUACIJSA-N 0 0 417.513 3.340 50 0 HGAARN COC(=O)C[C@@H](c1ccnn1C)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095480866 568633481 /nfs/dbraw/zinc/63/34/81/568633481.db2.gz VKDKKDHXWNRQOO-HNNXBMFYSA-N 0 0 400.456 3.066 50 0 HGAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 ZINC000007960865 568635071 /nfs/dbraw/zinc/63/50/71/568635071.db2.gz XNTVPQWDCVUCED-UHFFFAOYSA-N 0 0 413.481 3.499 50 0 HGAARN CC(C)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 ZINC000020614613 568637858 /nfs/dbraw/zinc/63/78/58/568637858.db2.gz KHVLJDCPYHLLKW-HXUWFJFHSA-N 0 0 413.493 3.190 50 0 HGAARN C[C@H]1CCN(c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC[S@]1=O ZINC000225439712 568638003 /nfs/dbraw/zinc/63/80/03/568638003.db2.gz FWCMPZKLJXVZCY-CFJPQMKISA-N 0 0 413.572 3.374 50 0 HGAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2[n-]c1=S ZINC000020645351 568638982 /nfs/dbraw/zinc/63/89/82/568638982.db2.gz QTEVQTLGDJPJJS-YJBOKZPZSA-N 0 0 416.591 3.336 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000028835012 568639629 /nfs/dbraw/zinc/63/96/29/568639629.db2.gz SGJIOBNZQOLPHR-UHFFFAOYSA-N 0 0 413.499 3.466 50 0 HGAARN O=C(NC1CCCCCCC1)[C@@H]1c2ccccc2C(=O)N1CCCN1CCOCC1 ZINC000020685068 568640303 /nfs/dbraw/zinc/64/03/03/568640303.db2.gz PFJDBYHLCVOZBC-QFIPXVFZSA-N 0 0 413.562 3.135 50 0 HGAARN CCSc1nccnc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000225477316 568641354 /nfs/dbraw/zinc/64/13/54/568641354.db2.gz YKJVYSNDLJSKFD-UHFFFAOYSA-N 0 0 401.517 3.287 50 0 HGAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1 ZINC000020761084 568642070 /nfs/dbraw/zinc/64/20/70/568642070.db2.gz VSQDMFDPOYFLNZ-FQEVSTJZSA-N 0 0 406.442 3.385 50 0 biogenic HGAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1 ZINC000020761692 568642512 /nfs/dbraw/zinc/64/25/12/568642512.db2.gz MHPBQVUKTLZWFT-HXUWFJFHSA-N 0 0 406.442 3.385 50 0 biogenic HGAARN CCc1nn(CCCC(=O)NCc2ccc(OC)cc2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862363 568646311 /nfs/dbraw/zinc/64/63/11/568646311.db2.gz MKWOPDQHMGKMSQ-UHFFFAOYSA-N 0 0 422.485 3.218 50 0 HGAARN CCCCNC(=O)Cn1ncc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2c1=O ZINC000020866905 568646645 /nfs/dbraw/zinc/64/66/45/568646645.db2.gz RCEBFYPQDXJCHR-UHFFFAOYSA-N 0 0 400.910 3.433 50 0 HGAARN CCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000020889294 568647431 /nfs/dbraw/zinc/64/74/31/568647431.db2.gz WNPAYZAQKIIJIS-UHFFFAOYSA-N 0 0 423.332 3.340 50 0 HGAARN CCN1C(C(=O)OC)=C(OC(=O)c2ccccc2Cl)c2ccccc2S1(=O)=O ZINC000020894126 568648524 /nfs/dbraw/zinc/64/85/24/568648524.db2.gz IUHBSNAVAFTISN-UHFFFAOYSA-N 0 0 421.858 3.063 50 0 HGAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc(OCCOc3cccc(C)c3)c2)S1 ZINC000020896476 568649120 /nfs/dbraw/zinc/64/91/20/568649120.db2.gz PCWKLSXXRSADEA-FQEVSTJZSA-N 0 0 413.499 3.454 50 0 HGAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4)C3)n2)cc1 ZINC000020923969 568651083 /nfs/dbraw/zinc/65/10/83/568651083.db2.gz HJOTZHNKEUPGNQ-QGZVFWFLSA-N 0 0 410.449 3.417 50 0 HGAARN COC(=O)c1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2nc(C)ccc2c1=O ZINC000020986572 568655387 /nfs/dbraw/zinc/65/53/87/568655387.db2.gz PCJZIBIMPYNYJO-UHFFFAOYSA-N 0 0 419.359 3.149 50 0 HGAARN O=C(CC[C@@H]1CCCN(C(=O)C2=CCCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020996532 568656876 /nfs/dbraw/zinc/65/68/76/568656876.db2.gz BFRVXVIRBJUUNF-QFIPXVFZSA-N 0 0 409.574 3.460 50 0 HGAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4ccco4)c3)cc(=O)n12 ZINC000021016935 568657594 /nfs/dbraw/zinc/65/75/94/568657594.db2.gz OGJOXNZQZAFDAU-UHFFFAOYSA-N 0 0 409.423 3.267 50 0 HGAARN Cc1nn(CCC(=O)Nc2ccccc2C)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000021029509 568659095 /nfs/dbraw/zinc/65/90/95/568659095.db2.gz XLHZZCFAFYCNEE-UHFFFAOYSA-N 0 0 418.563 3.258 50 0 HGAARN Cc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)o1 ZINC000021032143 568659620 /nfs/dbraw/zinc/65/96/20/568659620.db2.gz JYJXMNXJVXSRBF-UHFFFAOYSA-N 0 0 401.463 3.300 50 0 HGAARN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(C2N=NC(=S)O2)cc1 ZINC000095939801 568661476 /nfs/dbraw/zinc/66/14/76/568661476.db2.gz MTAOKDUMOAFAPT-UHFFFAOYSA-N 0 0 409.446 3.323 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)c1 ZINC000095941627 568662276 /nfs/dbraw/zinc/66/22/76/568662276.db2.gz IGXIPPIQQUQYOG-UHFFFAOYSA-N 0 0 408.483 3.435 50 0 HGAARN CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3cc(F)ccc32)CC1 ZINC000095948809 568665659 /nfs/dbraw/zinc/66/56/59/568665659.db2.gz JJJOOTJBRMZZDK-UHFFFAOYSA-N 0 0 420.432 3.086 50 0 HGAARN CCOCCCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000021109079 568668104 /nfs/dbraw/zinc/66/81/04/568668104.db2.gz JRPPMDKRRRGNBR-UHFFFAOYSA-N 0 0 420.531 3.151 50 0 HGAARN COc1cc(OC)c(NC(=O)c2cc3c(CO)cnc(C)c3oc2=N)cc1Cl ZINC000021117239 568669015 /nfs/dbraw/zinc/66/90/15/568669015.db2.gz CHBAQHXBAXIGNX-UHFFFAOYSA-N 0 0 403.822 3.031 50 0 HGAARN COC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1 ZINC000225737691 568669656 /nfs/dbraw/zinc/66/96/56/568669656.db2.gz FRCLUDMCYHGQGL-QGZVFWFLSA-N 0 0 410.470 3.287 50 0 HGAARN CCCNC(=O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1 ZINC000225741452 568670065 /nfs/dbraw/zinc/67/00/65/568670065.db2.gz KMKOESQLZHRIBH-GOSISDBHSA-N 0 0 421.513 3.253 50 0 HGAARN CC(C)n1cnnc1SCC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000225763926 568672378 /nfs/dbraw/zinc/67/23/78/568672378.db2.gz UOFBNQRMDPUNCW-UHFFFAOYSA-N 0 0 413.906 3.219 50 0 HGAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1ccccc1OC)C[C@@H]1CSCN12 ZINC000021152395 568672593 /nfs/dbraw/zinc/67/25/93/568672593.db2.gz SMCMBDNZRKJGRQ-YAEBDLLGSA-N 0 0 423.538 3.291 50 0 biogenic HGAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)N3CCCCCC3)CC2)c1C ZINC000021153818 568672851 /nfs/dbraw/zinc/67/28/51/568672851.db2.gz CHADHTQQCBYQHZ-UHFFFAOYSA-N 0 0 417.550 3.453 50 0 HGAARN CCc1ccc(NC(=O)CCCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000021155295 568673239 /nfs/dbraw/zinc/67/32/39/568673239.db2.gz PKPYLZAOMKKYPU-UHFFFAOYSA-N 0 0 414.531 3.268 50 0 HGAARN O=C1C[C@H](c2nc3ccccc3n2CCN2CCOCC2)CN1c1ccccc1F ZINC000021171756 568676305 /nfs/dbraw/zinc/67/63/05/568676305.db2.gz GZUQWOYBMXUPGY-KRWDZBQOSA-N 0 0 408.477 3.028 50 0 HGAARN C[C@H]1[C@H](C)N(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC000095988846 568677215 /nfs/dbraw/zinc/67/72/15/568677215.db2.gz MFMGFFGFQJSVJL-QWRGUYRKSA-N 0 0 424.350 3.407 50 0 HGAARN CCn1ccnc1CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 ZINC000096000181 568680910 /nfs/dbraw/zinc/68/09/10/568680910.db2.gz JJDNGSOROCDULA-KRWDZBQOSA-N 0 0 408.506 3.267 50 0 HGAARN CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000042 568680914 /nfs/dbraw/zinc/68/09/14/568680914.db2.gz JULYCIWSKTZXHV-CYBMUJFWSA-N 0 0 401.902 3.232 50 0 HGAARN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000225854718 568681071 /nfs/dbraw/zinc/68/10/71/568681071.db2.gz VQMRUOUETARANF-GOSISDBHSA-N 0 0 418.419 3.262 50 0 HGAARN O=C(NCc1nccn1CCCc1ccccc1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000225854268 568681085 /nfs/dbraw/zinc/68/10/85/568681085.db2.gz YQDNLDUHGUJEMB-UHFFFAOYSA-N 0 0 408.477 3.068 50 0 HGAARN COc1cc(C(=O)O[C@@H]2CCN(c3cncc(Cl)n3)C2)sc1Br ZINC000225858652 568681195 /nfs/dbraw/zinc/68/11/95/568681195.db2.gz CGIHJPWXFVJFSR-MRVPVSSYSA-N 0 0 418.700 3.398 50 0 HGAARN COc1ccccc1CC(=O)NCc1ncccc1NC(=O)Cc1ccccc1OC ZINC000096010832 568683797 /nfs/dbraw/zinc/68/37/97/568683797.db2.gz MQNGRCIYONLBSJ-UHFFFAOYSA-N 0 0 419.481 3.139 50 0 HGAARN COc1cc(C2=N/C(=C/c3cnn(-c4ccccc4)c3)C(=O)O2)cc(OC)c1OC ZINC000096018745 568685714 /nfs/dbraw/zinc/68/57/14/568685714.db2.gz PGKHEHBTFURJKG-RQZCQDPDSA-N 0 0 405.410 3.243 50 0 HGAARN O=S(=O)(Cc1ccccc1)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000096102147 568691404 /nfs/dbraw/zinc/69/14/04/568691404.db2.gz VYVCPYPOYAMXJA-GOSISDBHSA-N 0 0 408.483 3.468 50 0 HGAARN CSc1ccc([C@H](O)CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000096103236 568691790 /nfs/dbraw/zinc/69/17/90/568691790.db2.gz HWGXDYOAXQYNLJ-CYBMUJFWSA-N 0 0 407.435 3.319 50 0 HGAARN CN1CCOc2ccc(NC(=O)CCc3ccccc3Br)cc2C1=O ZINC000096103564 568692005 /nfs/dbraw/zinc/69/20/05/568692005.db2.gz XMQABQVJZARKJI-UHFFFAOYSA-N 0 0 403.276 3.485 50 0 HGAARN Cc1cc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(O)cc2)no1 ZINC000096113806 568693287 /nfs/dbraw/zinc/69/32/87/568693287.db2.gz MULPZSDJRFODPF-PXNSSMCTSA-N 0 0 404.378 3.327 50 0 biogenic HGAARN O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NCc1ccco1 ZINC000096115233 568694791 /nfs/dbraw/zinc/69/47/91/568694791.db2.gz ZRHRIXHXRVDADO-UHFFFAOYSA-N 0 0 424.460 3.484 50 0 biogenic HGAARN Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@H](CC(C)C)c3nnc4ccccn43)C2)n1 ZINC000096116920 568696286 /nfs/dbraw/zinc/69/62/86/568696286.db2.gz QUKLEIFHGKWLTA-RBUKOAKNSA-N 0 0 421.549 3.256 50 0 HGAARN CC(C)Cn1nc(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000096118751 568698338 /nfs/dbraw/zinc/69/83/38/568698338.db2.gz MVFRINQQXFBOOM-HNNXBMFYSA-N 0 0 403.486 3.349 50 0 HGAARN COC(=O)c1ccc(C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1 ZINC000096121454 568699614 /nfs/dbraw/zinc/69/96/14/568699614.db2.gz DENIYDOCXBKNKN-UHFFFAOYSA-N 0 0 404.470 3.041 50 0 HGAARN O=C(CCn1cnc2ccccc2c1=O)NCc1cccc(Oc2ccccn2)c1 ZINC000096122537 568700193 /nfs/dbraw/zinc/70/01/93/568700193.db2.gz YGIGCCWCTPHIOM-UHFFFAOYSA-N 0 0 400.438 3.290 50 0 HGAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124095 568700463 /nfs/dbraw/zinc/70/04/63/568700463.db2.gz IBHHXUMFUOZZIJ-LBPRGKRZSA-N 0 0 418.288 3.219 50 0 HGAARN O=C(NCC(F)(F)F)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 ZINC000096124046 568700560 /nfs/dbraw/zinc/70/05/60/568700560.db2.gz URHHHLMULJETHV-UHFFFAOYSA-N 0 0 403.408 3.315 50 0 HGAARN O=C(NCc1ccc(OC(F)(F)F)cc1)c1coc(NC(=O)c2ccncc2)n1 ZINC000096124305 568700701 /nfs/dbraw/zinc/70/07/01/568700701.db2.gz MBWZOTIPCOJLPL-UHFFFAOYSA-N 0 0 406.320 3.151 50 0 HGAARN CC(=O)N[C@H](C)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)c1 ZINC000096191728 568703509 /nfs/dbraw/zinc/70/35/09/568703509.db2.gz BWMVMYWLQOHLJC-OAHLLOKOSA-N 0 0 415.515 3.120 50 0 HGAARN O=C(NCCc1ccccn1)c1cnc(-c2ccccc2)nc1N1CCSCC1 ZINC000096210347 568704521 /nfs/dbraw/zinc/70/45/21/568704521.db2.gz ZQQZTNIEMUEDIY-UHFFFAOYSA-N 0 0 405.527 3.064 50 0 HGAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1 ZINC000096221540 568705189 /nfs/dbraw/zinc/70/51/89/568705189.db2.gz RMTZIYKVMKIIKH-IBGZPJMESA-N 0 0 420.469 3.058 50 0 biogenic HGAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1O ZINC000096232201 568708177 /nfs/dbraw/zinc/70/81/77/568708177.db2.gz CLHUUXOTLYYHHH-PXAZEXFGSA-N 0 0 419.503 3.208 50 0 HGAARN COc1ccc(NC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(OC)c1 ZINC000021525569 568709156 /nfs/dbraw/zinc/70/91/56/568709156.db2.gz IMUQKQIUVREBBS-UHFFFAOYSA-N 0 0 407.473 3.361 50 0 HGAARN O=C(NCc1ccccn1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527825 568709648 /nfs/dbraw/zinc/70/96/48/568709648.db2.gz NETVLZJPXPSGCW-UHFFFAOYSA-N 0 0 409.449 3.023 50 0 HGAARN CS(=O)(=O)Nc1ccccc1NC(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000096248648 568709832 /nfs/dbraw/zinc/70/98/32/568709832.db2.gz VVOFFSPYAAMNGE-SREVYHEPSA-N 0 0 408.863 3.135 50 0 HGAARN Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c(C)c1 ZINC000021531428 568710998 /nfs/dbraw/zinc/71/09/98/568710998.db2.gz WMNRKMKAAZDRID-UHFFFAOYSA-N 0 0 421.950 3.348 50 0 HGAARN Cc1ccc(-n2ccn3c(CCC(=O)Nc4cccc(F)c4)nnc3c2=O)cc1C ZINC000021540419 568713792 /nfs/dbraw/zinc/71/37/92/568713792.db2.gz HSGBLOOETJNGBO-UHFFFAOYSA-N 0 0 405.433 3.207 50 0 HGAARN CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21 ZINC000143116580 568713988 /nfs/dbraw/zinc/71/39/88/568713988.db2.gz ACCFLVVUVBJNGT-AWEZNQCLSA-N 0 0 406.486 3.213 50 0 investigational HGAARN O=C(N[C@H]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000097151827 568714221 /nfs/dbraw/zinc/71/42/21/568714221.db2.gz JSBPROFQTMCRKY-ZOBUZTSGSA-N 0 0 424.444 3.287 50 0 HGAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccc(NC(N)=O)cc1 ZINC000018537246 568716391 /nfs/dbraw/zinc/71/63/91/568716391.db2.gz ZZRZYTPTCMKVOJ-UHFFFAOYSA-N 0 0 410.257 3.299 50 0 HGAARN COc1cc(-c2noc(CCN(C(=O)c3ccco3)C(C)C)n2)cc(OC)c1OC ZINC000096278761 568716950 /nfs/dbraw/zinc/71/69/50/568716950.db2.gz KJYRUZCDRZWCFR-UHFFFAOYSA-N 0 0 415.446 3.449 50 0 HGAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccc(C)cc4)n3n2)cc1 ZINC000012415923 568717866 /nfs/dbraw/zinc/71/78/66/568717866.db2.gz MYSAKAOZLGWWMX-UHFFFAOYSA-N 0 0 421.482 3.132 50 0 HGAARN CC(C)N(C(=O)[C@@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(C)C ZINC000021603251 568723130 /nfs/dbraw/zinc/72/31/30/568723130.db2.gz WFZWJZGVZCMYIR-RHSMWYFYSA-N 0 0 404.536 3.454 50 0 HGAARN NC(=O)c1ccccc1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O 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COc1ccc(CCN2CC(=O)N3CCc4c5cc(F)ccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000004073200 568882454 /nfs/dbraw/zinc/88/24/54/568882454.db2.gz SEJMPTHUIWOFHO-DEOSSOPVSA-N 0 0 421.472 3.000 50 0 biogenic HGAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000012637584 568883897 /nfs/dbraw/zinc/88/38/97/568883897.db2.gz CMIMUZHNHLPFLP-CALCHBBNSA-N 0 0 422.572 3.462 50 0 HGAARN O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000058085793 568884007 /nfs/dbraw/zinc/88/40/07/568884007.db2.gz QVGHQOZTHWBEMR-FGZHOGPDSA-N 0 0 417.550 3.237 50 0 HGAARN O=S(=O)(N[C@H]1CCCC[C@H]1N1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000058085814 568884026 /nfs/dbraw/zinc/88/40/26/568884026.db2.gz DOPYBUKPRYMXNB-RBBKRZOGSA-N 0 0 417.550 3.237 50 0 HGAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)n2N)cc1 ZINC000003344415 568884332 /nfs/dbraw/zinc/88/43/32/568884332.db2.gz NKFBWXKVJBVICY-UHFFFAOYSA-N 0 0 409.559 3.407 50 0 HGAARN CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)C(=O)N(C)C ZINC000078413845 568884400 /nfs/dbraw/zinc/88/44/00/568884400.db2.gz QQRVUKUXQDXDAS-HZMBPMFUSA-N 0 0 405.720 3.099 50 0 HGAARN COc1ccccc1C(=O)NCC(=O)NCCSc1ccc(Br)cc1 ZINC000015381667 568884552 /nfs/dbraw/zinc/88/45/52/568884552.db2.gz QNOZYKNCSGWLMZ-UHFFFAOYSA-N 0 0 423.332 3.096 50 0 HGAARN Cc1cc(C)cc(-n2ccn3c(CCC(=O)N[C@@H](C)c4ccccc4)nnc3c2=O)c1 ZINC000015736379 568889446 /nfs/dbraw/zinc/88/94/46/568889446.db2.gz SFPAWHWNPQKZJK-SFHVURJKSA-N 0 0 415.497 3.307 50 0 HGAARN O=C(CNC(=O)c1ccc(Cl)cc1)OCCOc1cccc(Br)c1 ZINC000003375126 568891078 /nfs/dbraw/zinc/89/10/78/568891078.db2.gz VNLZNXTVJPOFIK-UHFFFAOYSA-N 0 0 412.667 3.455 50 0 HGAARN CCOC(=O)c1cc2cc(NC(=O)N3CCN(c4ncccn4)CC3)ccc2s1 ZINC000058149375 568892550 /nfs/dbraw/zinc/89/25/50/568892550.db2.gz RGBSPCNMFIEASW-UHFFFAOYSA-N 0 0 411.487 3.222 50 0 HGAARN COc1ccc(CNC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC ZINC000003382267 568892647 /nfs/dbraw/zinc/89/26/47/568892647.db2.gz QSNKEKWVOXYWMN-CYBMUJFWSA-N 0 0 403.500 3.363 50 0 HGAARN COc1ccc(OC)c(N2C[C@H](C(=O)Nc3cnc(-c4ccccc4)nc3)CC2=O)c1 ZINC000058154081 568892838 /nfs/dbraw/zinc/89/28/38/568892838.db2.gz DYXIYMZRLIOTEX-MRXNPFEDSA-N 0 0 418.453 3.152 50 0 HGAARN Cc1ccccc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccncc1 ZINC000003386131 568893291 /nfs/dbraw/zinc/89/32/91/568893291.db2.gz NOOBVQXECWIDGO-KRWDZBQOSA-N 0 0 409.515 3.025 50 0 HGAARN CCOC(=O)CCCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003390151 568893903 /nfs/dbraw/zinc/89/39/03/568893903.db2.gz ZVPKHESNGQKSPR-UHFFFAOYSA-N 0 0 410.426 3.111 50 0 HGAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(=O)NCC(F)(F)F)cc12 ZINC000003404186 568896882 /nfs/dbraw/zinc/89/68/82/568896882.db2.gz IENPJNCAAFZHRL-UHFFFAOYSA-N 0 0 411.405 3.290 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000003415459 568898902 /nfs/dbraw/zinc/89/89/02/568898902.db2.gz IDOQEDVSYQGKAF-UHFFFAOYSA-N 0 0 418.515 3.129 50 0 HGAARN CCOC(=O)Cc1csc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000003421072 568899827 /nfs/dbraw/zinc/89/98/27/568899827.db2.gz BPEOPEHLYFWEOT-UHFFFAOYSA-N 0 0 416.427 3.301 50 0 HGAARN COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1OC ZINC000003421885 568900023 /nfs/dbraw/zinc/90/00/23/568900023.db2.gz MFLMGLQDKSFBLX-CQSZACIVSA-N 0 0 400.475 3.374 50 0 HGAARN CCCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC)cc1)N1CCCCCC1=N2 ZINC000003426066 568900598 /nfs/dbraw/zinc/90/05/98/568900598.db2.gz RYDLVLYZMASOMD-HXUWFJFHSA-N 0 0 410.518 3.365 50 0 HGAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1nc2c(s1)CCCC2 ZINC000003431222 568901863 /nfs/dbraw/zinc/90/18/63/568901863.db2.gz VGUPKMONIYFBLG-UHFFFAOYSA-N 0 0 411.574 3.049 50 0 HGAARN NC(=O)Nc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000003435020 568902524 /nfs/dbraw/zinc/90/25/24/568902524.db2.gz PVNLCVXFKMSRQD-UHFFFAOYSA-N 0 0 403.438 3.240 50 0 HGAARN O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc2ccccc2c1 ZINC000003442787 568904105 /nfs/dbraw/zinc/90/41/05/568904105.db2.gz QFOGTSLIUSFZSV-UHFFFAOYSA-N 0 0 402.406 3.008 50 0 HGAARN C[C@H]1CCc2c(sc3ncnc(NCCc4ccc(S(N)(=O)=O)cc4)c23)C1 ZINC000003453476 568906203 /nfs/dbraw/zinc/90/62/03/568906203.db2.gz XRAZRTDVSLDPPK-LBPRGKRZSA-N 0 0 402.545 3.118 50 0 HGAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000003454976 568906273 /nfs/dbraw/zinc/90/62/73/568906273.db2.gz ATWXTNJCXDKFCM-AWEZNQCLSA-N 0 0 415.540 3.049 50 0 HGAARN COc1cc2c(c3oc(=O)c(CC(=O)NCc4cccnc4)c(C)c13)CCC(C)(C)O2 ZINC000012664633 568907220 /nfs/dbraw/zinc/90/72/20/568907220.db2.gz ZGVJFCDVBAWPML-UHFFFAOYSA-N 0 0 422.481 3.468 50 0 biogenic HGAARN Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1 ZINC000003465435 568907352 /nfs/dbraw/zinc/90/73/52/568907352.db2.gz FFMKIQOVUJJMQC-UHFFFAOYSA-N 0 0 403.489 3.301 50 0 HGAARN Cc1nc2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)ccc2n1-c1ccccc1 ZINC000003475267 568907998 /nfs/dbraw/zinc/90/79/98/568907998.db2.gz AAYQSLAFZPFUSM-HOTGVXAUSA-N 0 0 407.470 3.127 50 0 HGAARN COC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 ZINC000001251108 568908875 /nfs/dbraw/zinc/90/88/75/568908875.db2.gz HZUQWRXKXSQGHH-UHFFFAOYSA-N 0 0 413.455 3.474 50 0 HGAARN CCOCCCn1c(SCc2ccc(C(=O)OC)o2)nc2ccccc2c1=O ZINC000003500280 568909961 /nfs/dbraw/zinc/90/99/61/568909961.db2.gz ZRXMSJFOCARRCR-UHFFFAOYSA-N 0 0 402.472 3.495 50 0 HGAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(OC(C)C)cc4)c3CO2)cc1 ZINC000263615239 568910367 /nfs/dbraw/zinc/91/03/67/568910367.db2.gz BIMGSAWKFJVSGG-OAQYLSRUSA-N 0 0 422.485 3.275 50 0 HGAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1nc(C2CCCCC2)no1 ZINC000263615737 568910505 /nfs/dbraw/zinc/91/05/05/568910505.db2.gz DZACDTCJBFPAPB-UHFFFAOYSA-N 0 0 423.448 3.273 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1 ZINC000263617376 568911382 /nfs/dbraw/zinc/91/13/82/568911382.db2.gz NLALOBNNAFCKIN-MRXNPFEDSA-N 0 0 405.502 3.472 50 0 HGAARN O=C(NCc1ccccc1F)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000263617666 568911575 /nfs/dbraw/zinc/91/15/75/568911575.db2.gz OYFNLXLNJIUJCI-UHFFFAOYSA-N 0 0 407.493 3.280 50 0 HGAARN Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1I ZINC000003519063 568911942 /nfs/dbraw/zinc/91/19/42/568911942.db2.gz SULHOOQIIBWIRQ-UHFFFAOYSA-N 0 0 401.225 3.457 50 0 HGAARN O=C(NCc1ccccc1)c1nnn2c1CO[C@H](c1ccc(Br)cc1)C2 ZINC000263618959 568912175 /nfs/dbraw/zinc/91/21/75/568912175.db2.gz WGWGNJJLKOQCII-KRWDZBQOSA-N 0 0 413.275 3.242 50 0 HGAARN CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)c1ccc(OC)cc1OC ZINC000003522380 568912330 /nfs/dbraw/zinc/91/23/30/568912330.db2.gz JHUBBVHAYYXZOQ-ZDUSSCGKSA-N 0 0 414.487 3.442 50 0 HGAARN CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)c1ccc(OC)cc1OC ZINC000003522381 568912352 /nfs/dbraw/zinc/91/23/52/568912352.db2.gz JHUBBVHAYYXZOQ-CYBMUJFWSA-N 0 0 414.487 3.442 50 0 HGAARN COc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)c(OC)c1 ZINC000001320990 568914338 /nfs/dbraw/zinc/91/43/38/568914338.db2.gz WFWJNSLKSOIXLU-UHFFFAOYSA-N 0 0 422.466 3.176 50 0 HGAARN O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000003556694 568915345 /nfs/dbraw/zinc/91/53/45/568915345.db2.gz YFNVUALGQSZPEW-UHFFFAOYSA-N 0 0 404.875 3.233 50 0 HGAARN COc1ccc([C@@H]2CCCN2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000012692154 568915576 /nfs/dbraw/zinc/91/55/76/568915576.db2.gz IDKWMHUXCDHLCE-JTHBVZDNSA-N 0 0 410.514 3.441 50 0 HGAARN COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000003559224 568915585 /nfs/dbraw/zinc/91/55/85/568915585.db2.gz VFDAKSXRGCGOCX-UHFFFAOYSA-N 0 0 416.499 3.290 50 0 HGAARN CNC(=O)NC(=O)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 ZINC000003558328 568915650 /nfs/dbraw/zinc/91/56/50/568915650.db2.gz DFKOWMABQNEZMH-KRWDZBQOSA-N 0 0 407.499 3.434 50 0 HGAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCC3CCCC3)c2)C[C@H](C)O1 ZINC000031145823 568915750 /nfs/dbraw/zinc/91/57/50/568915750.db2.gz JSXRUIYWNQGMCI-IRXDYDNUSA-N 0 0 408.564 3.185 50 0 HGAARN Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)s1 ZINC000003560816 568915898 /nfs/dbraw/zinc/91/58/98/568915898.db2.gz MWTQLMMXMKSUHV-UHFFFAOYSA-N 0 0 413.524 3.451 50 0 HGAARN CC(C)N(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(C)C ZINC000003568351 568916416 /nfs/dbraw/zinc/91/64/16/568916416.db2.gz URYCSEMIJWRCPX-UHFFFAOYSA-N 0 0 414.502 3.418 50 0 HGAARN CC(C)(C)c1cc(NC(=O)CN2CCN(c3ccccn3)CC2)n(-c2ccccc2)n1 ZINC000012695802 568916436 /nfs/dbraw/zinc/91/64/36/568916436.db2.gz SFXZVNVMMXMLHI-UHFFFAOYSA-N 0 0 418.545 3.326 50 0 HGAARN COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000001361926 568917177 /nfs/dbraw/zinc/91/71/77/568917177.db2.gz KWPGNHGSTFXJJT-MRXNPFEDSA-N 0 0 422.934 3.066 50 0 HGAARN C[C@@H](NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)c1cccc2ccccc21 ZINC000248377172 568917223 /nfs/dbraw/zinc/91/72/23/568917223.db2.gz FVAZMAHGFHRCBI-HZPDHXFCSA-N 0 0 423.538 3.116 50 0 HGAARN CC[C@H](c1nnc(S[C@@H](C)C(=O)N2CCCC2)n1Cc1ccccc1)N(C)C ZINC000004494506 568917876 /nfs/dbraw/zinc/91/78/76/568917876.db2.gz OXQFZWUCANOXEM-FUHWJXTLSA-N 0 0 401.580 3.442 50 0 HGAARN C[C@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC(=O)NC1CC1 ZINC000012719890 568918193 /nfs/dbraw/zinc/91/81/93/568918193.db2.gz OKJPOVCDOBYRHO-ZDUSSCGKSA-N 0 0 416.861 3.453 50 0 HGAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cn1 ZINC000003590396 568918206 /nfs/dbraw/zinc/91/82/06/568918206.db2.gz SULATZSWARWHOO-GFCCVEGCSA-N 0 0 418.906 3.383 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O ZINC000003593759 568918333 /nfs/dbraw/zinc/91/83/33/568918333.db2.gz VKYNAEVNVWWEHS-LJQANCHMSA-N 0 0 422.268 3.408 50 0 HGAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C2=O ZINC000003595903 568918423 /nfs/dbraw/zinc/91/84/23/568918423.db2.gz WINBRVFGAIVQSL-BXKMTCNYSA-N 0 0 405.498 3.393 50 0 HGAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1c(Cl)cccc1Cl ZINC000003594949 568918470 /nfs/dbraw/zinc/91/84/70/568918470.db2.gz GTGKYTGMHKYTJH-LJQANCHMSA-N 0 0 404.253 3.325 50 0 HGAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003597838 568918674 /nfs/dbraw/zinc/91/86/74/568918674.db2.gz LRDSRAOZUFAIGD-UHFFFAOYSA-N 0 0 410.451 3.493 50 0 HGAARN CCOc1ccc(C(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1OCC ZINC000004165388 568918714 /nfs/dbraw/zinc/91/87/14/568918714.db2.gz GBFPXWLCGOKKCA-GOSISDBHSA-N 0 0 401.484 3.442 50 0 HGAARN Cc1ccc(Cn2nnc3c2ncnc3SCC(=O)NCCc2ccccc2)cc1 ZINC000004166382 568919084 /nfs/dbraw/zinc/91/90/84/568919084.db2.gz ZMRGMQQGQPIUAU-UHFFFAOYSA-N 0 0 418.526 3.029 50 0 HGAARN Cn1nc(CN(Cc2ccco2)S(=O)(=O)Cc2cc(F)ccc2F)c2c1CCC2 ZINC000217907792 568919106 /nfs/dbraw/zinc/91/91/06/568919106.db2.gz VPOVNYGZDGTNBE-UHFFFAOYSA-N 0 0 421.469 3.312 50 0 HGAARN COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000003608359 568919602 /nfs/dbraw/zinc/91/96/02/568919602.db2.gz VMMWPGHRRCBQKO-UHFFFAOYSA-N 0 0 416.543 3.232 50 0 HGAARN C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001391965 568924595 /nfs/dbraw/zinc/92/45/95/568924595.db2.gz RGKMNDJXEGGASY-INIZCTEOSA-N 0 0 405.369 3.008 50 0 HGAARN O=c1ccn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1CCOc1ccccc1 ZINC000001393287 568925037 /nfs/dbraw/zinc/92/50/37/568925037.db2.gz CVRNWEKIIKFYTE-UHFFFAOYSA-N 0 0 411.767 3.145 50 0 HGAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000012738045 568925296 /nfs/dbraw/zinc/92/52/96/568925296.db2.gz SMPVZUDXSNRQOW-OAQYLSRUSA-N 0 0 400.906 3.331 50 0 HGAARN Cc1ccc(-c2nc(CS[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC000031411899 568925670 /nfs/dbraw/zinc/92/56/70/568925670.db2.gz OYBUWOGTBDYDKZ-UKRRQHHQSA-N 0 0 410.586 3.044 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CC[C@H](C)C4)CC2)cc1 ZINC000012738784 568926435 /nfs/dbraw/zinc/92/64/35/568926435.db2.gz IJPBIPUPZJKCFI-INIZCTEOSA-N 0 0 418.584 3.328 50 0 HGAARN O=C(c1cccc(I)c1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000031499662 568927118 /nfs/dbraw/zinc/92/71/18/568927118.db2.gz GYRKSUZRMIOMPB-CQSZACIVSA-N 0 0 418.238 3.311 50 0 HGAARN Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H]3c3nnc4ccccn43)o2)cc1 ZINC000031505501 568927242 /nfs/dbraw/zinc/92/72/42/568927242.db2.gz QJRYUWPCYBTCFZ-KRWDZBQOSA-N 0 0 402.458 3.384 50 0 HGAARN Cc1nn(C[C@@H](O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000031561152 568928150 /nfs/dbraw/zinc/92/81/50/568928150.db2.gz KTCWCVSLCATFOE-HXUWFJFHSA-N 0 0 415.490 3.124 50 0 HGAARN COc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000031661950 568929046 /nfs/dbraw/zinc/92/90/46/568929046.db2.gz HKYBFDJAKVWGHU-HXUWFJFHSA-N 0 0 403.910 3.221 50 0 HGAARN CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccncc2)c1 ZINC000012744756 568930906 /nfs/dbraw/zinc/93/09/06/568930906.db2.gz BMGWVSTXTKTGCV-UHFFFAOYSA-N 0 0 412.309 3.031 50 0 HGAARN COc1ccc(CCN2C(=O)N(C(C)C)[C@@H](N(O)C(=O)NC(C)C)C2(C)C)cc1 ZINC000003985301 568931161 /nfs/dbraw/zinc/93/11/61/568931161.db2.gz CXYKMWFEXVHREA-SFHVURJKSA-N 0 0 406.527 3.298 50 0 biogenic HGAARN CCCn1c2ccccc2n(CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1=O ZINC000012746134 568931391 /nfs/dbraw/zinc/93/13/91/568931391.db2.gz CNKLOKOJNOGZGX-UHFFFAOYSA-N 0 0 422.529 3.235 50 0 HGAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccccc1Cl)SCC(=O)N2 ZINC000031808022 568931682 /nfs/dbraw/zinc/93/16/82/568931682.db2.gz NLLIQCLLPMUIRA-HNNXBMFYSA-N 0 0 411.878 3.275 50 0 HGAARN CC(C)n1ncc2cc(C(=O)NCC(=O)Nc3ccccc3Br)cnc21 ZINC000012746980 568932949 /nfs/dbraw/zinc/93/29/49/568932949.db2.gz ZJCJYPWRUQTKDN-UHFFFAOYSA-N 0 0 416.279 3.143 50 0 HGAARN COc1ccc2cc(C(=O)N3Cc4c(OC)ccc(OC)c4[C@H](O)C3)c(C)nc2c1 ZINC000084028612 568933253 /nfs/dbraw/zinc/93/32/53/568933253.db2.gz QFMZECXBXQTKHX-LJQANCHMSA-N 0 0 408.454 3.258 50 0 HGAARN O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000012747926 568933882 /nfs/dbraw/zinc/93/38/82/568933882.db2.gz VADUIFSZTRQRBS-UHFFFAOYSA-N 0 0 419.341 3.156 50 0 HGAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000012748172 568934263 /nfs/dbraw/zinc/93/42/63/568934263.db2.gz RBROZTLPUPZCOP-UHFFFAOYSA-N 0 0 422.466 3.492 50 0 HGAARN COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000016648946 568935351 /nfs/dbraw/zinc/93/53/51/568935351.db2.gz GQYHGXLVKIZSNK-UHFFFAOYSA-N 0 0 402.394 3.217 50 0 HGAARN CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)c1 ZINC000004036298 568935364 /nfs/dbraw/zinc/93/53/64/568935364.db2.gz YLCRAWXHVTVUBL-HXUWFJFHSA-N 0 0 401.488 3.154 50 0 HGAARN Cc1cc(OC[C@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)c(C(C)C)cc1Cl ZINC000084077154 568936017 /nfs/dbraw/zinc/93/60/17/568936017.db2.gz QMECXDIEICFUGZ-VLIAUNLRSA-N 0 0 411.951 3.394 50 0 HGAARN Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)c1 ZINC000004061389 568937241 /nfs/dbraw/zinc/93/72/41/568937241.db2.gz IPJOYMOJHLOZPV-UHFFFAOYSA-N 0 0 419.510 3.144 50 0 HGAARN O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)CC2=O)c1 ZINC000001421305 568938107 /nfs/dbraw/zinc/93/81/07/568938107.db2.gz YIMQMSPVGQINKW-SFHVURJKSA-N 0 0 421.478 3.039 50 0 HGAARN COc1ccc(CNC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cc1OC ZINC000004081887 568939135 /nfs/dbraw/zinc/93/91/35/568939135.db2.gz PHDHAJHGGVGUEH-NQIIRXRSSA-N 0 0 412.511 3.369 50 0 biogenic HGAARN COc1cc(CCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc(OC)c1OC ZINC000004806457 568940082 /nfs/dbraw/zinc/94/00/82/568940082.db2.gz PWSFFFOPVWYZFN-BFYDXBDKSA-N 0 0 407.507 3.129 50 0 HGAARN CCOC(=O)N(C)c1ccc(NC(=O)c2cc(Br)c(C=O)n2C)cc1 ZINC000078822244 568940546 /nfs/dbraw/zinc/94/05/46/568940546.db2.gz OGSVPTBAGNDCQK-UHFFFAOYSA-N 0 0 408.252 3.445 50 0 HGAARN CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000012752450 568941710 /nfs/dbraw/zinc/94/17/10/568941710.db2.gz TYAYVLNAIUXQCD-UHFFFAOYSA-N 0 0 401.513 3.290 50 0 HGAARN NC(=O)c1cc(SCc2nc(=O)c3c4c(sc3[nH]2)CCC4)nc2ccccc21 ZINC000012752692 568941955 /nfs/dbraw/zinc/94/19/55/568941955.db2.gz OIONYYQLEXFPHW-UHFFFAOYSA-N 0 0 408.508 3.413 50 0 HGAARN COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1ccccc1C)C[S@@](=O)C2 ZINC000004106228 568943245 /nfs/dbraw/zinc/94/32/45/568943245.db2.gz BITWRRDHSMKJQM-GDLZYMKVSA-N 0 0 411.483 3.213 50 0 HGAARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012759557 568943757 /nfs/dbraw/zinc/94/37/57/568943757.db2.gz VOYHUOHEWFZHIQ-IBGZPJMESA-N 0 0 401.488 3.171 50 0 HGAARN CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012757207 568944265 /nfs/dbraw/zinc/94/42/65/568944265.db2.gz ZSGWSPHELJKOIQ-IYBDPMFKSA-N 0 0 418.515 3.136 50 0 HGAARN Cc1cccc(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000015534650 568946369 /nfs/dbraw/zinc/94/63/69/568946369.db2.gz OTVSEEAAVJTXIC-UHFFFAOYSA-N 0 0 411.477 3.050 50 0 HGAARN CCc1ccc(-c2nnn(CC(=O)Nc3ccccc3OCC(F)(F)F)n2)cc1 ZINC000012764142 568947284 /nfs/dbraw/zinc/94/72/84/568947284.db2.gz LSOZPLDHHSJCAJ-UHFFFAOYSA-N 0 0 405.380 3.482 50 0 HGAARN Cc1ccc(NC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000004159579 568947390 /nfs/dbraw/zinc/94/73/90/568947390.db2.gz JBEQYWUUZSPINP-ROUUACIJSA-N 0 0 414.527 3.322 50 0 HGAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4nc(C)cs4)nn32)cc1 ZINC000004164985 568947881 /nfs/dbraw/zinc/94/78/81/568947881.db2.gz YDSPTHAHBHQMQO-UHFFFAOYSA-N 0 0 412.500 3.296 50 0 HGAARN Cc1cccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 ZINC000012765491 568948176 /nfs/dbraw/zinc/94/81/76/568948176.db2.gz FSZVJKORMXTIRN-IEBWSBKVSA-N 0 0 421.497 3.207 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cccc(C)c3)CC2)cc1 ZINC000004217996 568952264 /nfs/dbraw/zinc/95/22/64/568952264.db2.gz DNKGGLKVPQSKEL-UHFFFAOYSA-N 0 0 400.544 3.063 50 0 HGAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000084605966 568952365 /nfs/dbraw/zinc/95/23/65/568952365.db2.gz TTXSDOBOFNNTRU-UHFFFAOYSA-N 0 0 409.873 3.447 50 0 HGAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)c1ccccc1 ZINC000012773806 568953015 /nfs/dbraw/zinc/95/30/15/568953015.db2.gz RDFRNQPQZRXPQU-UHFFFAOYSA-N 0 0 410.392 3.489 50 0 HGAARN O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)cccc1I ZINC000084610187 568953021 /nfs/dbraw/zinc/95/30/21/568953021.db2.gz PIABXTIJNBRFMV-UHFFFAOYSA-N 0 0 422.201 3.322 50 0 HGAARN CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O ZINC000004249235 568954171 /nfs/dbraw/zinc/95/41/71/568954171.db2.gz HWLBEIYGCIWPTN-UHFFFAOYSA-N 0 0 401.898 3.138 50 0 HGAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-n3cncn3)cc2)cc1Cn1cccn1 ZINC000084647851 568954618 /nfs/dbraw/zinc/95/46/18/568954618.db2.gz BHAHBUXAIGEMJO-MRXNPFEDSA-N 0 0 402.458 3.012 50 0 HGAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1cc(C)cc(C)c1N(Cc1ccccc1)C2=O ZINC000012776323 568954737 /nfs/dbraw/zinc/95/47/37/568954737.db2.gz YEJUITQGBFGCCR-JOCHJYFZSA-N 0 0 422.510 3.005 50 0 HGAARN Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1C ZINC000004251528 568955331 /nfs/dbraw/zinc/95/53/31/568955331.db2.gz WUKGGWRFRLCVNK-UHFFFAOYSA-N 0 0 405.863 3.192 50 0 HGAARN Cc1ccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 ZINC000012778275 568955974 /nfs/dbraw/zinc/95/59/74/568955974.db2.gz BFZKUAXDMAZPDA-HKUYNNGSSA-N 0 0 421.497 3.207 50 0 HGAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000004264622 568956052 /nfs/dbraw/zinc/95/60/52/568956052.db2.gz CYTYQVPACRJHSZ-ZDUSSCGKSA-N 0 0 416.459 3.145 50 0 HGAARN C[C@@H]1CN(C(=O)c2ccc(CNC(=O)c3ccc4ccccc4n3)cc2)C[C@@H](C)O1 ZINC000084705979 568956500 /nfs/dbraw/zinc/95/65/00/568956500.db2.gz AHTHVNMVOZZMLY-IAGOWNOFSA-N 0 0 403.482 3.414 50 0 HGAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1cccs1 ZINC000012778977 568956542 /nfs/dbraw/zinc/95/65/42/568956542.db2.gz BOFLYHJLVPNOQB-UHFFFAOYSA-N 0 0 406.573 3.214 50 0 HGAARN O=C(Cn1nnc(-c2cccs2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012779918 568956931 /nfs/dbraw/zinc/95/69/31/568956931.db2.gz PERMYIYRXVXYEO-CYBMUJFWSA-N 0 0 410.528 3.418 50 0 HGAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000084718699 568957065 /nfs/dbraw/zinc/95/70/65/568957065.db2.gz KQATYAFWISMUBN-SFHVURJKSA-N 0 0 408.907 3.451 50 0 HGAARN COc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000004272209 568957147 /nfs/dbraw/zinc/95/71/47/568957147.db2.gz FVWNFGDEQLTRKG-UHFFFAOYSA-N 0 0 419.481 3.402 50 0 HGAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(CN2CCCC2=O)c1 ZINC000012781272 568957912 /nfs/dbraw/zinc/95/79/12/568957912.db2.gz TYSIEISZDVKRDG-UHFFFAOYSA-N 0 0 419.525 3.365 50 0 HGAARN CCOC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCN(C(C)=O)C2 ZINC000004275166 568958074 /nfs/dbraw/zinc/95/80/74/568958074.db2.gz LRQVTNVYPQPAEL-UHFFFAOYSA-N 0 0 416.499 3.237 50 0 HGAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1ccc(Br)cc1Cl ZINC000015656866 568958679 /nfs/dbraw/zinc/95/86/79/568958679.db2.gz OALYRCXUENGDAR-GHMZBOCLSA-N 0 0 400.656 3.183 50 0 HGAARN CCOC(=O)c1sc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1C ZINC000084795623 568959843 /nfs/dbraw/zinc/95/98/43/568959843.db2.gz LFRHQIWDVDCOFK-GFCCVEGCSA-N 0 0 413.492 3.421 50 0 HGAARN COc1cccc(-c2nc(COC(=O)c3n[nH]c(=O)c4ccccc43)cs2)c1OC ZINC000012786021 568960013 /nfs/dbraw/zinc/96/00/13/568960013.db2.gz AHANNMVFYQNNKD-UHFFFAOYSA-N 0 0 423.450 3.421 50 0 HGAARN CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)O[C@@H](C)C2 ZINC000012786078 568960014 /nfs/dbraw/zinc/96/00/14/568960014.db2.gz VYXPIYNAUBUJRU-LBPRGKRZSA-N 0 0 423.918 3.396 50 0 HGAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)C1=O ZINC000004306651 568960569 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COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCC(C)CC3)c2=O)cc1 ZINC000065212364 569197333 /nfs/dbraw/zinc/19/73/33/569197333.db2.gz UMFFVFHCUIKJPC-UHFFFAOYSA-N 0 0 412.490 3.068 50 0 HGAARN CCOc1ccc(N2C(=O)N(Cc3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000007005721 569198354 /nfs/dbraw/zinc/19/83/54/569198354.db2.gz VDCLWNQGMNKVGW-VQTJNVASSA-N 0 0 400.500 3.002 50 0 HGAARN COc1ccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)c(OC)c1OC ZINC000007001282 569198797 /nfs/dbraw/zinc/19/87/97/569198797.db2.gz AQASKERNBVCZIT-UHFFFAOYSA-N 0 0 408.458 3.142 50 0 HGAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CC1 ZINC000007003213 569199041 /nfs/dbraw/zinc/19/90/41/569199041.db2.gz YCWSKJNQPVPJSS-UHFFFAOYSA-N 0 0 404.532 3.401 50 0 HGAARN CCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 ZINC000036550280 569199121 /nfs/dbraw/zinc/19/91/21/569199121.db2.gz SFAJBHFFAZTTBJ-NHCUHLMSSA-N 0 0 411.571 3.140 50 0 HGAARN O=C(NCc1cccnc1)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227855 569199160 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COc1ccccc1CC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1 ZINC000065232201 569201768 /nfs/dbraw/zinc/20/17/68/569201768.db2.gz ZJNBUJTYBAPWRN-UHFFFAOYSA-N 0 0 411.502 3.176 50 0 HGAARN COc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)c(C)c1 ZINC000065232313 569201963 /nfs/dbraw/zinc/20/19/63/569201963.db2.gz XIGNEVHGJXYHDE-UHFFFAOYSA-N 0 0 400.479 3.413 50 0 HGAARN COc1ccc(C(=O)N2CCC3(CC2)Nc2cc(Cl)ccc2C(=O)N3)cc1OC ZINC000065235292 569202334 /nfs/dbraw/zinc/20/23/34/569202334.db2.gz JRGCHMGGMYILMZ-UHFFFAOYSA-N 0 0 415.877 3.145 50 0 HGAARN O=C(Nc1ccc(Br)cc1)c1nc(-c2cn(-c3ccccc3)nn2)no1 ZINC000065236629 569202606 /nfs/dbraw/zinc/20/26/06/569202606.db2.gz IJGSWWMXKXEGJO-UHFFFAOYSA-N 0 0 411.219 3.332 50 0 HGAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000036584636 569202994 /nfs/dbraw/zinc/20/29/94/569202994.db2.gz LZQXNDIRDZVDCF-IWEFOYFVSA-N 0 0 404.898 3.308 50 0 HGAARN C=C1C(N2CCC(NC(=O)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239202 569203225 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ZINC000065242201 569205811 /nfs/dbraw/zinc/20/58/11/569205811.db2.gz UONKBLDVZUKGTK-UHFFFAOYSA-N 0 0 414.531 3.137 50 0 HGAARN Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(=O)NCc1ccc(C)c(C)c1 ZINC000065250346 569206115 /nfs/dbraw/zinc/20/61/15/569206115.db2.gz SLGPDEDCJPZSTJ-UHFFFAOYSA-N 0 0 402.458 3.237 50 0 HGAARN COc1cccc(NC(=O)c2cn(-c3cc(-c4nc(C5CC5)no4)ccn3)cn2)c1 ZINC000065250945 569206430 /nfs/dbraw/zinc/20/64/30/569206430.db2.gz OQYDLPLVRBNDBI-UHFFFAOYSA-N 0 0 402.414 3.456 50 0 HGAARN Cc1ccc(N2C(=O)N(CC(=O)OC(C)(C)C)S(=O)(=O)c3cccnc32)cc1F ZINC000065255482 569207712 /nfs/dbraw/zinc/20/77/12/569207712.db2.gz AFHXAGOVRBSPBO-UHFFFAOYSA-N 0 0 421.450 3.133 50 0 HGAARN O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065255627 569207904 /nfs/dbraw/zinc/20/79/04/569207904.db2.gz HGSTUNFBJAPQBC-UHFFFAOYSA-N 0 0 415.852 3.250 50 0 HGAARN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccn(C)n3)c3c(C)nn(C)c3n2)cc1 ZINC000036613377 569209174 /nfs/dbraw/zinc/20/91/74/569209174.db2.gz 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569425936 /nfs/dbraw/zinc/42/59/36/569425936.db2.gz CNOUGGDJZZLZLQ-UHFFFAOYSA-N 0 0 412.408 3.331 50 0 HGAARN CC(C)C[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cn1)N1CCCCC1=O ZINC000079069417 569426745 /nfs/dbraw/zinc/42/67/45/569426745.db2.gz DAITXMWSPGQFFO-OAHLLOKOSA-N 0 0 400.445 3.056 50 0 HGAARN CC(C)c1c(C(=O)N2CCN([C@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000079103387 569427582 /nfs/dbraw/zinc/42/75/82/569427582.db2.gz CMZLKLWBPYKJAZ-SFHVURJKSA-N 0 0 402.926 3.196 50 0 HGAARN O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)Nc1ccccc1O[C@H]1CCOC1 ZINC000079107036 569427682 /nfs/dbraw/zinc/42/76/82/569427682.db2.gz GKIYZYCTTTYHKI-ZDUSSCGKSA-N 0 0 412.414 3.495 50 0 HGAARN O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)Nc1ccccc1O[C@@H]1CCOC1 ZINC000079107030 569427686 /nfs/dbraw/zinc/42/76/86/569427686.db2.gz GKIYZYCTTTYHKI-CYBMUJFWSA-N 0 0 412.414 3.495 50 0 HGAARN COc1ccc2[nH]cc(CCNC(=O)Cc3nn(C(C)C)c(=O)c4ccccc34)c2c1 ZINC000079189123 569429181 /nfs/dbraw/zinc/42/91/81/569429181.db2.gz CJIKSXCQHYHOKF-UHFFFAOYSA-N 0 0 418.497 3.369 50 0 biogenic HGAARN O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)[C@H](c1ccccc1)n1cnnn1 ZINC000079476449 569431530 /nfs/dbraw/zinc/43/15/30/569431530.db2.gz UGDXYHLCMWTWSW-IBGZPJMESA-N 0 0 424.917 3.398 50 0 HGAARN COc1ccc(CCc2nnc(NC(=O)Cc3cn(C)c4ccccc34)[nH]2)cc1OC ZINC000079481739 569431820 /nfs/dbraw/zinc/43/18/20/569431820.db2.gz NCFRJKPOWQLWON-UHFFFAOYSA-N 0 0 419.485 3.280 50 0 HGAARN COC(=O)CC1CCN(C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)CC1 ZINC000079490862 569432438 /nfs/dbraw/zinc/43/24/38/569432438.db2.gz KHZPMMRSKMNYJV-UHFFFAOYSA-N 0 0 408.502 3.234 50 0 HGAARN Cc1[nH]nc(-c2nn3c(nnc3-c3cc(C(C)C)nn3C)s2)c1Br ZINC000079495344 569432750 /nfs/dbraw/zinc/43/27/50/569432750.db2.gz NLFYIMNWAVGEFL-UHFFFAOYSA-N 0 0 407.301 3.171 50 0 HGAARN CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)ccc21 ZINC000012647337 571043958 /nfs/dbraw/zinc/04/39/58/571043958.db2.gz ZEUBRAPLEYKWAR-UHFFFAOYSA-N 0 0 424.507 3.383 50 0 HGAARN CCCn1c2ccccc2nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1=O ZINC000065113120 571047084 /nfs/dbraw/zinc/04/70/84/571047084.db2.gz ITFMWQXCUNAHHF-UHFFFAOYSA-N 0 0 410.905 3.422 50 0 HGAARN CCCn1c2ccccc2nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1=O ZINC000065113118 571047170 /nfs/dbraw/zinc/04/71/70/571047170.db2.gz YFKVFPADFHJCSB-UHFFFAOYSA-N 0 0 410.905 3.422 50 0 HGAARN CCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000038655121 571052837 /nfs/dbraw/zinc/05/28/37/571052837.db2.gz WUZWMMSKFSTKCE-UHFFFAOYSA-N 0 0 421.588 3.016 50 0 HGAARN Nc1nc(N)nc(COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)n1 ZINC000008486949 571055374 /nfs/dbraw/zinc/05/53/74/571055374.db2.gz XIIWKPYRFBVPID-UHFFFAOYSA-N 0 0 404.352 3.155 50 0 HGAARN CCOc1ccc(-n2ccn(CC(=O)N(CC)c3ccc(CC)cc3)c(=O)c2=O)cc1 ZINC000067256114 571055774 /nfs/dbraw/zinc/05/57/74/571055774.db2.gz TUDZXZUAHFUCKR-UHFFFAOYSA-N 0 0 421.497 3.013 50 0 HGAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000008489373 571056186 /nfs/dbraw/zinc/05/61/86/571056186.db2.gz MMNGDRADRMAUFO-CQSZACIVSA-N 0 0 417.494 3.179 50 0 HGAARN C[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000008490093 571056437 /nfs/dbraw/zinc/05/64/37/571056437.db2.gz SJJFKTGCZXCJHM-HNNXBMFYSA-N 0 0 413.971 3.328 50 0 HGAARN CCCCc1ccc(NC(=O)Cn2ccn(-c3ccccc3OCC)c(=O)c2=O)cc1 ZINC000067256745 571056579 /nfs/dbraw/zinc/05/65/79/571056579.db2.gz JEWZDHJPUDRVFG-UHFFFAOYSA-N 0 0 421.497 3.379 50 0 HGAARN O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCCCc1ccccc1 ZINC000067261138 571059881 /nfs/dbraw/zinc/05/98/81/571059881.db2.gz MYMPECGYCVWZTD-UHFFFAOYSA-N 0 0 418.472 3.441 50 0 HGAARN Cc1ccc(Nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)nn1 ZINC000038670548 571059901 /nfs/dbraw/zinc/05/99/01/571059901.db2.gz TZUBTKIUWNCDEW-UHFFFAOYSA-N 0 0 411.487 3.031 50 0 HGAARN COc1ccc(CCNC(=O)Cc2c(C)c3c(O)cc(C)cc3oc2=O)cc1OC ZINC000008491013 571061015 /nfs/dbraw/zinc/06/10/15/571061015.db2.gz KGABEXLNBIUMFA-UHFFFAOYSA-N 0 0 411.454 3.034 50 0 biogenic HGAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCCCCC4)ccn3n2)cc1 ZINC000067262478 571061713 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Cc1cc(C)c(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)c(C)c1 ZINC000067300230 571073661 /nfs/dbraw/zinc/07/36/61/571073661.db2.gz XTCFTUOSBGNOFV-UHFFFAOYSA-N 0 0 405.498 3.317 50 0 HGAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccccc2Cl)c(=O)c1CCO ZINC000067300845 571073931 /nfs/dbraw/zinc/07/39/31/571073931.db2.gz CQXXQPLWHPALIF-UHFFFAOYSA-N 0 0 415.852 3.185 50 0 HGAARN Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)cc1 ZINC000067301138 571074243 /nfs/dbraw/zinc/07/42/43/571074243.db2.gz AWNDDMGWHIOJQL-MRXNPFEDSA-N 0 0 423.488 3.078 50 0 HGAARN Cc1ccccc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1cccc(Cl)c1 ZINC000067301593 571074282 /nfs/dbraw/zinc/07/42/82/571074282.db2.gz UPZZTTOVEBAFQW-UHFFFAOYSA-N 0 0 411.889 3.354 50 0 HGAARN CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000008526857 571074326 /nfs/dbraw/zinc/07/43/26/571074326.db2.gz GPDSAANCYHTBBF-SFHVURJKSA-N 0 0 410.257 3.012 50 0 HGAARN Cc1cccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c1 ZINC000067335797 571079710 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/nfs/dbraw/zinc/10/32/13/571103213.db2.gz YUJKFHUWQDKOBA-UHFFFAOYSA-N 0 0 400.485 3.168 50 0 HGAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O ZINC000008709529 571104398 /nfs/dbraw/zinc/10/43/98/571104398.db2.gz CIASXGPDBVAAEM-CVDCTZTESA-N 0 0 416.525 3.500 50 0 HGAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc3c(c2)OCO3)c2cccnc2)cc1 ZINC000008717999 571105825 /nfs/dbraw/zinc/10/58/25/571105825.db2.gz USNOTLCGWNMDHJ-OAQYLSRUSA-N 0 0 424.478 3.064 50 0 HGAARN Cc1nnc(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)n1-c1ccccc1 ZINC000008725846 571108305 /nfs/dbraw/zinc/10/83/05/571108305.db2.gz VLCYCCJQELZZDO-UHFFFAOYSA-N 0 0 407.499 3.199 50 0 HGAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)o1 ZINC000008750061 571111775 /nfs/dbraw/zinc/11/17/75/571111775.db2.gz RSZGKKCQWAGIHC-KXBFYZLASA-N 0 0 402.516 3.460 50 0 HGAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3c[nH]c4ccccc34)cc2O1 ZINC000008764388 571114676 /nfs/dbraw/zinc/11/46/76/571114676.db2.gz LADXIXJYFOPUPM-UHFFFAOYSA-N 0 0 408.454 3.355 50 0 biogenic HGAARN Cc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000008768079 571115988 /nfs/dbraw/zinc/11/59/88/571115988.db2.gz OKHWAVVJEYVCQF-IAGOWNOFSA-N 0 0 421.316 3.370 50 0 HGAARN Cc1cc(C)n2c(nnc2SCC(=O)N2c3ccccc3NC(=O)C23CCCC3)n1 ZINC000008767949 571116064 /nfs/dbraw/zinc/11/60/64/571116064.db2.gz HPUGTZHJQWUINR-UHFFFAOYSA-N 0 0 422.514 3.131 50 0 HGAARN O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008777415 571118193 /nfs/dbraw/zinc/11/81/93/571118193.db2.gz JQGJHPXCCFKHJI-OAHLLOKOSA-N 0 0 404.495 3.412 50 0 HGAARN CN1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000008844646 571125177 /nfs/dbraw/zinc/12/51/77/571125177.db2.gz JCRAUSRVUTXYDK-UHFFFAOYSA-N 0 0 401.463 3.065 50 0 HGAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1 ZINC000008845977 571125687 /nfs/dbraw/zinc/12/56/87/571125687.db2.gz XJVNBQROPREUQW-UHFFFAOYSA-N 0 0 416.890 3.166 50 0 HGAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008851766 571127239 /nfs/dbraw/zinc/12/72/39/571127239.db2.gz OCTHEWWYEXFIEK-CQSZACIVSA-N 0 0 402.472 3.231 50 0 HGAARN CN(CC(=O)OCc1coc(-c2ccccc2)n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039542750 571132842 /nfs/dbraw/zinc/13/28/42/571132842.db2.gz DQGSLCKGSVSHAC-UHFFFAOYSA-N 0 0 420.874 3.359 50 0 HGAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CCc1nnc(-c2ccc(C)cc2)o1 ZINC000039520231 571132887 /nfs/dbraw/zinc/13/28/87/571132887.db2.gz BYCLNILKHDPDFR-UHFFFAOYSA-N 0 0 422.485 3.473 50 0 HGAARN O=C(CNC(=O)c1ccccc1Oc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000039558730 571133202 /nfs/dbraw/zinc/13/32/02/571133202.db2.gz QNTIVPQRRFLALP-UHFFFAOYSA-N 0 0 402.410 3.017 50 0 HGAARN Cc1csc2nc(COC(=O)/C=C/c3c(Cl)nc4sccn34)cc(=O)n12 ZINC000039608239 571133759 /nfs/dbraw/zinc/13/37/59/571133759.db2.gz LCGBURWYFVQSLI-NSCUHMNNSA-N 0 0 406.876 3.184 50 0 HGAARN CCOC(=O)c1cc(CC)sc1NC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000040024649 571139966 /nfs/dbraw/zinc/13/99/66/571139966.db2.gz YQLBAIHDRHVEFV-LBPRGKRZSA-N 0 0 402.472 3.240 50 0 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Cc1nonc1C(=O)N1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000014970529 558687303 /nfs/dbraw/zinc/68/73/03/558687303.db2.gz YHJPTCLLRRFUQC-UHFFFAOYSA-N 0 0 424.423 3.346 50 0 HGAARN CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCCC[C@@H]2CCCO)CC1 ZINC000014976941 558689646 /nfs/dbraw/zinc/68/96/46/558689646.db2.gz UMPCPHHDONJLRF-GOSISDBHSA-N 0 0 422.953 3.497 50 0 HGAARN CC(=O)NC1(c2noc(CCC(=O)Nc3ccc4n[nH]cc4c3)n2)CCCCCC1 ZINC000072273058 558693104 /nfs/dbraw/zinc/69/31/04/558693104.db2.gz SMPJROXFJMATJH-UHFFFAOYSA-N 0 0 410.478 3.203 50 0 HGAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CCC(OC)CC4)C3)nc(C)c2c1 ZINC000014989099 558693560 /nfs/dbraw/zinc/69/35/60/558693560.db2.gz MCEJNWMDCBEAGV-QGZVFWFLSA-N 0 0 412.534 3.191 50 0 HGAARN COC[C@H](C)NC(=O)c1c(=O)cc(C)n(Cc2ccccn2)c1CCc1ccccc1 ZINC000014995500 558696039 /nfs/dbraw/zinc/69/60/39/558696039.db2.gz KJQKJMIQATYEQL-SFHVURJKSA-N 0 0 419.525 3.150 50 0 HGAARN Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc(=O)c2cc1C ZINC000028289773 558696234 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413.493 3.185 50 0 HGAARN COc1cc(-c2cc(-c3ccncc3)nc(N3CCOCC3)n2)cc(OC)c1OC ZINC000028342279 558699467 /nfs/dbraw/zinc/69/94/67/558699467.db2.gz RKVPZRHMYDDGTA-UHFFFAOYSA-N 0 0 408.458 3.068 50 0 HGAARN COC(=O)c1ccc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000015010535 558700116 /nfs/dbraw/zinc/70/01/16/558700116.db2.gz WVTOETAYGSFYAP-GDNBJRDFSA-N 0 0 417.284 3.498 50 0 HGAARN COc1ccc(Nn2c(N)nn(CC(=O)c3cc(Cl)ccc3OC)c2=S)cc1 ZINC000028535183 558702152 /nfs/dbraw/zinc/70/21/52/558702152.db2.gz OTMBWUOVKWIDHW-UHFFFAOYSA-N 0 0 419.894 3.425 50 0 HGAARN Cc1c(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)[nH]c2c1C(=O)CCC2 ZINC000028636664 558702777 /nfs/dbraw/zinc/70/27/77/558702777.db2.gz VNVJTSNAHJYZLO-UHFFFAOYSA-N 0 0 415.921 3.332 50 0 HGAARN O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCc2ccccc2C1 ZINC000028651910 558703232 /nfs/dbraw/zinc/70/32/32/558703232.db2.gz OZVQROHGBOTEFJ-UHFFFAOYSA-N 0 0 412.536 3.425 50 0 HGAARN CSc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)CC2=O)c1 ZINC000028668723 558703513 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COc1cc(OC)cc([C@@H](NC(=O)NCCc2cccs2)c2nccn2C)c1 ZINC000029324549 558713701 /nfs/dbraw/zinc/71/37/01/558713701.db2.gz TXNSYPSUIFDMQE-GOSISDBHSA-N 0 0 400.504 3.130 50 0 HGAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000029411270 558714961 /nfs/dbraw/zinc/71/49/61/558714961.db2.gz IWDYUHWLYBAJDJ-UHFFFAOYSA-N 0 0 417.512 3.333 50 0 HGAARN COc1c2c(c(Br)c([C@H]3ON=C(CO)[C@H]3C)c1Br)OCO2 ZINC000015085869 558720402 /nfs/dbraw/zinc/72/04/02/558720402.db2.gz XNTSHSRZVGLOGX-FWOIEVBISA-N 0 0 423.057 3.005 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)CCCc2nc3ccccc3s2)s1 ZINC000029775072 558720653 /nfs/dbraw/zinc/72/06/53/558720653.db2.gz PXGRFDAGVRFFOU-UHFFFAOYSA-N 0 0 423.585 3.247 50 0 HGAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000029783290 558720787 /nfs/dbraw/zinc/72/07/87/558720787.db2.gz XTUBRTFGOADXAC-OAQYLSRUSA-N 0 0 423.513 3.315 50 0 HGAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCO[C@@H](C)C2)c1 ZINC000029789645 558721082 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/nfs/dbraw/zinc/66/85/32/568668532.db2.gz BCZPVGMJWXSSDJ-UHFFFAOYSA-N 0 0 414.527 3.253 50 0 HGAARN CC(C)(C)[S@@](=O)CCNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000095958697 568669816 /nfs/dbraw/zinc/66/98/16/568669816.db2.gz UTQUQZXICJUKJI-CHAGWJKLSA-N 0 0 422.494 3.100 50 0 HGAARN O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1CCn2cncc2C1 ZINC000095972721 568671753 /nfs/dbraw/zinc/67/17/53/568671753.db2.gz IPOCUIBIMCCWMQ-SNVBAGLBSA-N 0 0 400.223 3.126 50 0 HGAARN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@H]3CCn4cncc4C3)cc2)cc1 ZINC000095972833 568671898 /nfs/dbraw/zinc/67/18/98/568671898.db2.gz VVFDRAWTJLKTJN-HNNXBMFYSA-N 0 0 411.483 3.280 50 0 HGAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cccc(OC)c1)C[C@@H]1CSCN12 ZINC000021152310 568672601 /nfs/dbraw/zinc/67/26/01/568672601.db2.gz VLZJZJYSZOZYCH-HFXUHXBXSA-N 0 0 423.538 3.291 50 0 biogenic HGAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)c1 ZINC000021153655 568672933 /nfs/dbraw/zinc/67/29/33/568672933.db2.gz ZCHRRAKVFFLDQG-UHFFFAOYSA-N 0 0 408.527 3.271 50 0 HGAARN Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccccc1F)N1CCc2ccccc2C1 ZINC000021155633 568673683 /nfs/dbraw/zinc/67/36/83/568673683.db2.gz VUDOBVUTERFMAT-JOCHJYFZSA-N 0 0 420.488 3.019 50 0 HGAARN O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000095993301 568678088 /nfs/dbraw/zinc/67/80/88/568678088.db2.gz RDPYZIDDZFHFDS-IBGZPJMESA-N 0 0 413.485 3.131 50 0 HGAARN CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000095993606 568678488 /nfs/dbraw/zinc/67/84/88/568678488.db2.gz DXIBTKRKCYYBRD-OAHLLOKOSA-N 0 0 422.890 3.113 50 0 HGAARN O=C1O[C@@]2(CCc3ccccc32)C(=O)N1C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000225835780 568679212 /nfs/dbraw/zinc/67/92/12/568679212.db2.gz PIQIVOCVWCNXOT-FOIQADDNSA-N 0 0 421.371 3.266 50 0 HGAARN CC(C)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 ZINC000095998969 568680299 /nfs/dbraw/zinc/68/02/99/568680299.db2.gz APNBOFMPWAPTON-OAHLLOKOSA-N 0 0 405.524 3.316 50 0 HGAARN CCn1ccnc1CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 ZINC000096000182 568680907 /nfs/dbraw/zinc/68/09/07/568680907.db2.gz JJDNGSOROCDULA-QGZVFWFLSA-N 0 0 408.506 3.267 50 0 HGAARN CC(=O)Nc1cccc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)c1 ZINC000096001854 568681412 /nfs/dbraw/zinc/68/14/12/568681412.db2.gz XOTWWOXANSSFBZ-SFHVURJKSA-N 0 0 408.462 3.186 50 0 HGAARN O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000096006766 568682969 /nfs/dbraw/zinc/68/29/69/568682969.db2.gz CWZRPWMBHVNMEY-AAEUAGOBSA-N 0 0 411.829 3.118 50 0 HGAARN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000096012596 568684712 /nfs/dbraw/zinc/68/47/12/568684712.db2.gz OSUWUTQEXDBAFW-PXNSSMCTSA-N 0 0 404.532 3.409 50 0 HGAARN Cn1c(=O)oc2ccc(S(=O)(=O)N(CCc3cccs3)Cc3ccoc3)cc21 ZINC000096026079 568686785 /nfs/dbraw/zinc/68/67/85/568686785.db2.gz NEAPMRWWOPLCND-UHFFFAOYSA-N 0 0 418.496 3.220 50 0 HGAARN CSc1ccc(CNC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)cc1 ZINC000021360786 568690022 /nfs/dbraw/zinc/69/00/22/568690022.db2.gz QBVVNLWZFISLQB-OAHLLOKOSA-N 0 0 400.548 3.438 50 0 HGAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000096105220 568692527 /nfs/dbraw/zinc/69/25/27/568692527.db2.gz UGVBTQDBBBITQG-UHFFFAOYSA-N 0 0 418.288 3.219 50 0 HGAARN O=C(c1ccccc1F)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105298 568692582 /nfs/dbraw/zinc/69/25/82/568692582.db2.gz HKQAGTQVOXPJJZ-UHFFFAOYSA-N 0 0 415.852 3.206 50 0 HGAARN CCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1 ZINC000096105335 568692642 /nfs/dbraw/zinc/69/26/42/568692642.db2.gz OJFYJQITYQZHFP-UHFFFAOYSA-N 0 0 421.497 3.121 50 0 HGAARN Cc1cc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(O)cc2)no1 ZINC000096113805 568693433 /nfs/dbraw/zinc/69/34/33/568693433.db2.gz MULPZSDJRFODPF-YLJYHZDGSA-N 0 0 404.378 3.327 50 0 biogenic HGAARN Cn1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cn1 ZINC000096114283 568693802 /nfs/dbraw/zinc/69/38/02/568693802.db2.gz HMDYRLOEIXYLKP-AWEZNQCLSA-N 0 0 404.378 3.046 50 0 biogenic HGAARN Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012391541 568695986 /nfs/dbraw/zinc/69/59/86/568695986.db2.gz BCCRHXGQMLZQOX-SECBINFHSA-N 0 0 405.328 3.342 50 0 HGAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)N1CCN(c2ccccc2)CC1 ZINC000096118882 568698568 /nfs/dbraw/zinc/69/85/68/568698568.db2.gz HEBJEVPSMVRJTH-UHFFFAOYSA-N 0 0 414.465 3.183 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN1c1nc3ccccc3o1)CC2 ZINC000096122618 568700278 /nfs/dbraw/zinc/70/02/78/568700278.db2.gz WUMDUHMEWVPRIH-GOSISDBHSA-N 0 0 407.470 3.399 50 0 HGAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124094 568700503 /nfs/dbraw/zinc/70/05/03/568700503.db2.gz IBHHXUMFUOZZIJ-GFCCVEGCSA-N 0 0 418.288 3.219 50 0 HGAARN COCCn1c(C[C@@H]2CCN(C(=O)Cc3ccc(Cl)cc3)C2)nc2cccnc21 ZINC000096125033 568701466 /nfs/dbraw/zinc/70/14/66/568701466.db2.gz JWWJVTYYSFVZDO-KRWDZBQOSA-N 0 0 412.921 3.365 50 0 HGAARN COc1cc(OC)c(OC)cc1/C=C\C(=O)NC1(c2noc(C)n2)CCCCC1 ZINC000096129747 568701606 /nfs/dbraw/zinc/70/16/06/568701606.db2.gz WHXHOSXTXBVJRV-HJWRWDBZSA-N 0 0 401.463 3.393 50 0 HGAARN O=C(/C=C\c1ccccc1)N1CCC(C(=O)NCc2ccc(-n3ccnc3)cc2)CC1 ZINC000096134064 568702160 /nfs/dbraw/zinc/70/21/60/568702160.db2.gz MLGNRTNQQVGKAE-FLIBITNWSA-N 0 0 414.509 3.441 50 0 HGAARN COc1cc(/C=C\C(=O)N2CSC[C@H]2C(=O)N2CCCC2)ccc1OC(C)C ZINC000096188119 568703284 /nfs/dbraw/zinc/70/32/84/568703284.db2.gz SHXRTFLCBUXUAS-KMDWOBIYSA-N 0 0 404.532 3.020 50 0 HGAARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)n(C)c2c1 ZINC000096221223 568704925 /nfs/dbraw/zinc/70/49/25/568704925.db2.gz SYLUXPKILPUUAH-INIZCTEOSA-N 0 0 417.417 3.403 50 0 biogenic HGAARN COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCO3)[nH][nH]c1=O)c1ccc(OC)cc1 ZINC000096222106 568705457 /nfs/dbraw/zinc/70/54/57/568705457.db2.gz KZIHOQLJXZNMBG-GOSISDBHSA-N 0 0 408.454 3.345 50 0 biogenic HGAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1nc2ccccc2n1C ZINC000096221910 568705586 /nfs/dbraw/zinc/70/55/86/568705586.db2.gz IMOVHNBSLRIFEO-UHFFFAOYSA-N 0 0 405.454 3.246 50 0 biogenic HGAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCc1nc2ccccc2n1C ZINC000096222476 568705874 /nfs/dbraw/zinc/70/58/74/568705874.db2.gz WCJHBYDHRWJJDN-UHFFFAOYSA-N 0 0 419.481 3.288 50 0 biogenic HGAARN COc1ccccc1OCCN1C[C@@H](C(=O)Nc2cccc3ncccc32)CC1=O ZINC000096230696 568706757 /nfs/dbraw/zinc/70/67/57/568706757.db2.gz CTYWVZCVUIDNGQ-INIZCTEOSA-N 0 0 405.454 3.109 50 0 HGAARN COc1ccccc1OCCN1C[C@H](C(=O)Nc2cccc3ncccc32)CC1=O ZINC000096230695 568706838 /nfs/dbraw/zinc/70/68/38/568706838.db2.gz CTYWVZCVUIDNGQ-MRXNPFEDSA-N 0 0 405.454 3.109 50 0 HGAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC3CCCCCCC3)C2=O)cc1 ZINC000096231515 568707222 /nfs/dbraw/zinc/70/72/22/568707222.db2.gz KYVKTZKWBDHIQY-FQEVSTJZSA-N 0 0 415.534 3.167 50 0 HGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn3c2nccc3-c2ccc(C)c(C)c2)C1 ZINC000096237179 568708678 /nfs/dbraw/zinc/70/86/78/568708678.db2.gz FFFMQFGQLISILQ-GOSISDBHSA-N 0 0 406.486 3.428 50 0 HGAARN Cc1c(C(=O)CN2CCN(C(=O)NCCc3ccccc3)CC2)c2ccccc2n1C ZINC000021536019 568712037 /nfs/dbraw/zinc/71/20/37/568712037.db2.gz QDKUUXYUGRYFPZ-UHFFFAOYSA-N 0 0 418.541 3.239 50 0 HGAARN Cc1ccccc1NC(=O)CSc1nc(-c2cccc(F)c2)nc2cc(=O)[nH]n21 ZINC000021537251 568712284 /nfs/dbraw/zinc/71/22/84/568712284.db2.gz XJFIFRAJHIVMLP-UHFFFAOYSA-N 0 0 409.446 3.263 50 0 HGAARN C[C@@H]1CCCN(c2nn3c(ncc(C(=O)NCCC4=CCCCC4)c3=O)s2)C1 ZINC000021537652 568712665 /nfs/dbraw/zinc/71/26/65/568712665.db2.gz XXGBTQJUVHVJGW-CQSZACIVSA-N 0 0 401.536 3.008 50 0 HGAARN Cc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000853195 568712717 /nfs/dbraw/zinc/71/27/17/568712717.db2.gz QKZTZBWWOAOBME-UHFFFAOYSA-N 0 0 413.474 3.041 50 0 HGAARN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000229765971 568715232 /nfs/dbraw/zinc/71/52/32/568715232.db2.gz YSLBWRPUMNMGPC-ONERCXAPSA-N 0 0 403.832 3.416 50 0 HGAARN CC(C)(C)OC(=O)N1CCC(Nc2cc(I)ccn2)CC1 ZINC000230539393 568717368 /nfs/dbraw/zinc/71/73/68/568717368.db2.gz PNIUAKUQXHQFMS-UHFFFAOYSA-N 0 0 403.264 3.498 50 0 HGAARN O=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000012415381 568717829 /nfs/dbraw/zinc/71/78/29/568717829.db2.gz SCGWJAOTJRPORI-UHFFFAOYSA-N 0 0 419.484 3.095 50 0 HGAARN Cc1cc([C@H]2C[C@H](C(=O)NCCc3ccccn3)CN(C(=O)C3CC3)C2)ccc1F ZINC000096281570 568719098 /nfs/dbraw/zinc/71/90/98/568719098.db2.gz WZAWDAYNKGJQFM-PMACEKPBSA-N 0 0 409.505 3.230 50 0 HGAARN Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000012421729 568720925 /nfs/dbraw/zinc/72/09/25/568720925.db2.gz RUUFSSJYRGWTEL-VMPITWQZSA-N 0 0 402.424 3.287 50 0 HGAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2N1C[C@H]1CCCO1 ZINC000096292404 568721177 /nfs/dbraw/zinc/72/11/77/568721177.db2.gz USSXDBLRIFQFCH-CQSZACIVSA-N 0 0 403.460 3.028 50 0 HGAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cn(C)nc1OC ZINC000012422621 568721479 /nfs/dbraw/zinc/72/14/79/568721479.db2.gz MPAUAKCQSFYTPG-UHFFFAOYSA-N 0 0 400.508 3.055 50 0 HGAARN COCc1nnc(SCc2ccc(C(=O)NCC(C)C)cc2)n1[C@H](C)COC ZINC000096294321 568722199 /nfs/dbraw/zinc/72/21/99/568722199.db2.gz PPHWPIXHNXZUFD-OAHLLOKOSA-N 0 0 406.552 3.310 50 0 HGAARN O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1nc2ccccc2s1 ZINC000012440210 568723315 /nfs/dbraw/zinc/72/33/15/568723315.db2.gz YVYIZVUOURXVHT-UHFFFAOYSA-N 0 0 416.466 3.221 50 0 HGAARN COC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(C)cc3)ccc2=O)cc1 ZINC000012441103 568723836 /nfs/dbraw/zinc/72/38/36/568723836.db2.gz MGIGQUVIADMCPT-UHFFFAOYSA-N 0 0 405.454 3.424 50 0 HGAARN Cc1cccc(C)c1NC(=O)CN1CCCN(Cc2ccccc2Cl)S1(=O)=O ZINC000021633934 568725141 /nfs/dbraw/zinc/72/51/41/568725141.db2.gz KIKLCWGCBCIGKJ-UHFFFAOYSA-N 0 0 421.950 3.348 50 0 HGAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2F)cc1 ZINC000000869451 568725452 /nfs/dbraw/zinc/72/54/52/568725452.db2.gz DRHBCQCTSDFKAQ-UHFFFAOYSA-N 0 0 402.447 3.239 50 0 HGAARN CC[C@@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)COC)CC2)n1 ZINC000096317306 568726506 /nfs/dbraw/zinc/72/65/06/568726506.db2.gz CAPIAGYPMOGMRI-GOSISDBHSA-N 0 0 410.562 3.493 50 0 HGAARN 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COc1ccc(OC)c(CNC(=O)C2CCN(c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000065229431 569200402 /nfs/dbraw/zinc/20/04/02/569200402.db2.gz XJFQETNMJSTMBA-UHFFFAOYSA-N 0 0 422.485 3.287 50 0 HGAARN CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)NCc3cccc(F)c3)C2)no1 ZINC000065227666 569200434 /nfs/dbraw/zinc/20/04/34/569200434.db2.gz VGBRTJXBFSOOHS-INIZCTEOSA-N 0 0 409.465 3.366 50 0 HGAARN COc1ccc(C(=O)Nc2nccnc2C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000065228655 569200763 /nfs/dbraw/zinc/20/07/63/569200763.db2.gz KDEPOMWAGOZVGE-AWEZNQCLSA-N 0 0 406.442 3.237 50 0 HGAARN O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)N1CCC[C@@H]1CO ZINC000036569628 569200911 /nfs/dbraw/zinc/20/09/11/569200911.db2.gz YMVNMBDHDOJINJ-QGZVFWFLSA-N 0 0 413.857 3.476 50 0 HGAARN O=C(COc1ccc(Cl)c(Cl)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000007016378 569201179 /nfs/dbraw/zinc/20/11/79/569201179.db2.gz SWZIKHOVTKPQGD-CYBMUJFWSA-N 0 0 406.331 3.331 50 0 HGAARN COc1ccc(CNC(=O)c2nc3nc(C)cc(C)c3c(N3CCCC3)n2)cc1OC ZINC000065232009 569201266 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CC(C)n1nc(CC(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000079476991 569431517 /nfs/dbraw/zinc/43/15/17/569431517.db2.gz CRAGIYJNCAHJAR-UHFFFAOYSA-N 0 0 403.486 3.145 50 0 HGAARN Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1ccc2[nH]c(CC(C)C)nc2c1 ZINC000079484845 569431950 /nfs/dbraw/zinc/43/19/50/569431950.db2.gz FOPIPSVNNMMEJX-UHFFFAOYSA-N 0 0 405.458 3.124 50 0 HGAARN Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000079485253 569432075 /nfs/dbraw/zinc/43/20/75/569432075.db2.gz ZKNSRWNACFZPIX-UHFFFAOYSA-N 0 0 406.461 3.464 50 0 HGAARN CC(C)(C)c1csc(CCNC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)n1 ZINC000079486887 569432286 /nfs/dbraw/zinc/43/22/86/569432286.db2.gz XYGKYWPJAHAKTQ-CYBMUJFWSA-N 0 0 407.971 3.459 50 0 HGAARN COc1ccc(-c2noc(CC3CCN(C(=O)c4ccc(OC)nc4)CC3)n2)cc1 ZINC000169754675 571038827 /nfs/dbraw/zinc/03/88/27/571038827.db2.gz SJQJSLANNMSFTF-UHFFFAOYSA-N 0 0 408.458 3.244 50 0 HGAARN CCCn1c2ccccc2nc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1=O ZINC000065113133 571047215 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COc1ccc(Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)cc1F ZINC000067260826 571059974 /nfs/dbraw/zinc/05/99/74/571059974.db2.gz HMFCFDFSOCDQMM-UHFFFAOYSA-N 0 0 409.417 3.376 50 0 HGAARN Cc1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3cc(C)ccc3C)NC2=O)c1 ZINC000067288688 571066080 /nfs/dbraw/zinc/06/60/80/571066080.db2.gz WHRKJCPIATVYKI-NRFANRHFSA-N 0 0 405.454 3.128 50 0 HGAARN Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(F)c3)C3=C2C(=O)OC3)c1 ZINC000067288771 571066151 /nfs/dbraw/zinc/06/61/51/571066151.db2.gz ZWPZFGOBSOVFMT-OAQYLSRUSA-N 0 0 423.444 3.267 50 0 HGAARN CC(C)(C)NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CCc2ccccc2)c1=O ZINC000067292050 571068378 /nfs/dbraw/zinc/06/83/78/571068378.db2.gz SNVKFOAQCKLQIX-UHFFFAOYSA-N 0 0 419.481 3.067 50 0 HGAARN O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067298535 571072459 /nfs/dbraw/zinc/07/24/59/571072459.db2.gz NMOJXMLYQZATBI-DYYXWGBJSA-N 0 0 408.410 3.008 50 0 HGAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccccc1F ZINC000067299507 571073408 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Cc1cccc(CNC(=O)CCCN2c3cc(-c4cccn4C)nn3CCC2=O)c1 ZINC000008609565 571093683 /nfs/dbraw/zinc/09/36/83/571093683.db2.gz QMZWHQQFIRIMAV-UHFFFAOYSA-N 0 0 405.502 3.030 50 0 HGAARN COc1ccccc1[C@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000008704534 571102961 /nfs/dbraw/zinc/10/29/61/571102961.db2.gz PUAZYZUXZBBDKL-ZDUSSCGKSA-N 0 0 405.292 3.455 50 0 HGAARN COCCn1c(=O)c2c3c(sc2nc1SCc1nccn1C(F)F)CCC3 ZINC000008706411 571103793 /nfs/dbraw/zinc/10/37/93/571103793.db2.gz OLOCYHDPPBHAMS-UHFFFAOYSA-N 0 0 412.487 3.477 50 0 HGAARN C[C@@H]1Sc2ccc(C(=O)OCC(=O)NCc3ccc(Cl)cc3)cc2NC1=O ZINC000008716524 571105428 /nfs/dbraw/zinc/10/54/28/571105428.db2.gz TYYNYVNKSFYHRK-NSHDSACASA-N 0 0 404.875 3.246 50 0 HGAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](NC(C)=O)C3CCCC3)n2)c1 ZINC000008727942 571108816 /nfs/dbraw/zinc/10/88/16/571108816.db2.gz GUICWIYAEBTXNL-SFHVURJKSA-N 0 0 403.504 3.461 50 0 HGAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000008750987 571112180 /nfs/dbraw/zinc/11/21/80/571112180.db2.gz 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O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NC[C@H]1CCCO1 ZINC000009597120 571272463 /nfs/dbraw/zinc/27/24/63/571272463.db2.gz MVEPIBJLYUDXQF-OAHLLOKOSA-N 0 0 423.391 3.296 50 0 HGAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccc(F)cc2)c1=O)Nc1ccc(F)cc1 ZINC000009598621 571272576 /nfs/dbraw/zinc/27/25/76/571272576.db2.gz ZNFMNPQKEYAJGZ-UHFFFAOYSA-N 0 0 413.405 3.131 50 0 HGAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(NC(=O)C(C)(C)C)s1 ZINC000009600159 571272804 /nfs/dbraw/zinc/27/28/04/571272804.db2.gz HQPAYYKJBIOLHI-UHFFFAOYSA-N 0 0 422.532 3.430 50 0 HGAARN COc1ccc(C(=O)N[C@H](C)c2cccs2)cc1S(=O)(=O)NC1CCCC1 ZINC000009613776 571273833 /nfs/dbraw/zinc/27/38/33/571273833.db2.gz QHLSRBOZRXHKOL-CYBMUJFWSA-N 0 0 408.545 3.469 50 0 HGAARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 ZINC000009621448 571274166 /nfs/dbraw/zinc/27/41/66/571274166.db2.gz AQZYKTZKSZDYSF-UHFFFAOYSA-N 0 0 406.529 3.160 50 0 HGAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000009622917 571274309 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O=C(Nc1nccs1)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663708 571277863 /nfs/dbraw/zinc/27/78/63/571277863.db2.gz VOPRHPWTDYUBSP-OAHLLOKOSA-N 0 0 421.482 3.027 50 0 HGAARN O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000009666772 571278209 /nfs/dbraw/zinc/27/82/09/571278209.db2.gz BNWMEQJRFHLRKP-UHFFFAOYSA-N 0 0 416.480 3.208 50 0 HGAARN COc1ccc([C@H]2N(C(=O)N(C)C)[C@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009668759 571278389 /nfs/dbraw/zinc/27/83/89/571278389.db2.gz UXBFTYQTKXXWIO-OXQOHEQNSA-N 0 0 417.531 3.079 50 0 HGAARN Cc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2N2CCOCC2)cc1 ZINC000009683431 571279370 /nfs/dbraw/zinc/27/93/70/571279370.db2.gz ZOJOWZSTCMFKKY-UHFFFAOYSA-N 0 0 406.515 3.352 50 0 HGAARN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(C)n1C ZINC000009684665 571279579 /nfs/dbraw/zinc/27/95/79/571279579.db2.gz ZYJIEATVGAFARE-UHFFFAOYSA-N 0 0 409.939 3.010 50 0 HGAARN CS(=O)(=O)c1cccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)c1 ZINC000009707647 571280658 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Cc1ccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)c(C)c1 ZINC000009761357 571284395 /nfs/dbraw/zinc/28/43/95/571284395.db2.gz SKCMZZHVPOTCFB-UHFFFAOYSA-N 0 0 423.494 3.351 50 0 HGAARN COc1ccc(NC(=O)NC(=O)COC(=O)Cc2coc3c2ccc(C)c3C)cc1 ZINC000009812938 571286113 /nfs/dbraw/zinc/28/61/13/571286113.db2.gz JGMRTIHDXRBNER-UHFFFAOYSA-N 0 0 410.426 3.492 50 0 HGAARN Cc1cc(=O)n2nc(CSc3nnc(Cc4cccs4)n3C3CC3)sc2n1 ZINC000009821607 571286370 /nfs/dbraw/zinc/28/63/70/571286370.db2.gz MAODYDZUTLGOBY-UHFFFAOYSA-N 0 0 416.557 3.330 50 0 HGAARN Cc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c(C)c1 ZINC000009852849 571288289 /nfs/dbraw/zinc/28/82/89/571288289.db2.gz AZFBIWQQLKWARK-UHFFFAOYSA-N 0 0 401.463 3.257 50 0 HGAARN O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)cc1 ZINC000009852888 571288360 /nfs/dbraw/zinc/28/83/60/571288360.db2.gz DKODKCGYIWXKLZ-UHFFFAOYSA-N 0 0 407.854 3.293 50 0 HGAARN Cc1cccc(C)c1-n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000009866902 571289004 /nfs/dbraw/zinc/28/90/04/571289004.db2.gz 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COc1cc(OC)cc(C(=O)N2CC(=O)N(c3ccccc3SC)[C@@H](C)C2)c1 ZINC000011841472 132351342 /nfs/dbraw/zinc/35/13/42/132351342.db2.gz VEKBRLKAALBBGQ-AWEZNQCLSA-N 0 0 400.500 3.303 50 0 HGAARN COc1cc(OC)cc(C(=O)N2CC(=O)N(c3ccccc3SC)[C@H](C)C2)c1 ZINC000011841470 132351299 /nfs/dbraw/zinc/35/12/99/132351299.db2.gz VEKBRLKAALBBGQ-CQSZACIVSA-N 0 0 400.500 3.303 50 0 HGAARN O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Br)o1 ZINC000011900309 132351734 /nfs/dbraw/zinc/35/17/34/132351734.db2.gz MSANRMCXHQTEJQ-UHFFFAOYSA-N 0 0 412.715 3.248 50 0 HGAARN COc1ccc(Nc2nc(NCCc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000012235105 132357459 /nfs/dbraw/zinc/35/74/59/132357459.db2.gz SFLMTPHHNMSVRP-UHFFFAOYSA-N 0 0 406.490 3.115 50 0 HGAARN CC(=O)c1ccc(N2CCN(C(=O)COCc3nc4ccccc4s3)CC2)cc1 ZINC000012517123 132361434 /nfs/dbraw/zinc/36/14/34/132361434.db2.gz HREUGUOMRRHBNL-UHFFFAOYSA-N 0 0 409.511 3.364 50 0 HGAARN O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000012596943 132364836 /nfs/dbraw/zinc/36/48/36/132364836.db2.gz NNTCEZZTERGUPF-UHFFFAOYSA-N 0 0 405.495 3.123 50 0 HGAARN C[C@@H](OC(=O)c1ccccc1F)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000012769570 132366906 /nfs/dbraw/zinc/36/69/06/132366906.db2.gz CFWXYUCQQLVLNC-SNVBAGLBSA-N 0 0 410.323 3.375 50 0 HGAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012850141 132367658 /nfs/dbraw/zinc/36/76/58/132367658.db2.gz IHJNVCNHTACZNO-FQEVSTJZSA-N 0 0 410.426 3.184 50 0 HGAARN O=C(CN1C(=O)COc2ccccc21)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000012946905 132450395 /nfs/dbraw/zinc/45/03/95/132450395.db2.gz WDJVHWUMHCPKKZ-UHFFFAOYSA-N 0 0 415.421 3.376 50 0 HGAARN Cc1sc2nc(N3CCN(C(=O)Oc4ccccc4)CC3)n3ncnc3c2c1C ZINC000013623865 132458376 /nfs/dbraw/zinc/45/83/76/132458376.db2.gz VRHZZFMTGSQZPW-UHFFFAOYSA-N 0 0 408.487 3.277 50 0 HGAARN COc1ccc([C@@H](CC(=O)N2CCN(c3cnccn3)CC2)c2ccccc2)cc1 ZINC000014979951 132460777 /nfs/dbraw/zinc/46/07/77/132460777.db2.gz RXJGFEGGNUTCAS-QFIPXVFZSA-N 0 0 402.498 3.356 50 0 HGAARN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000016194115 132463645 /nfs/dbraw/zinc/46/36/45/132463645.db2.gz VNBRJSSFCJBIGB-UHFFFAOYSA-N 0 0 419.275 3.325 50 0 HGAARN COc1cc(NC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)cc(OC)c1 ZINC000021360763 132472442 /nfs/dbraw/zinc/47/24/42/132472442.db2.gz PWJHAUWXLPFXKQ-CQSZACIVSA-N 0 0 400.479 3.056 50 0 HGAARN O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(N2CCCCC2=O)cc1 ZINC000025806698 132487171 /nfs/dbraw/zinc/48/71/71/132487171.db2.gz WYKJWCIMGUVWLC-UHFFFAOYSA-N 0 0 411.845 3.222 50 0 HGAARN O=C(NCc1ccncc1)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 ZINC000033266615 132782703 /nfs/dbraw/zinc/78/27/03/132782703.db2.gz DAOJJLUGFQNGNY-UHFFFAOYSA-N 0 0 412.497 3.324 50 0 HGAARN O=C(NCc1ccc(F)cc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000034668481 132793735 /nfs/dbraw/zinc/79/37/35/132793735.db2.gz DSZCSKXZNUSEAT-UHFFFAOYSA-N 0 0 412.440 3.205 50 0 HGAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nc(C)nc3onc(CC)c32)C1 ZINC000021881474 517737253 /nfs/dbraw/zinc/73/72/53/517737253.db2.gz ZMJALLWGVBVAOU-KRWDZBQOSA-N 0 0 423.517 3.420 50 0 HGAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000032830569 518798966 /nfs/dbraw/zinc/79/89/66/518798966.db2.gz REVYSUHFNXMDFF-QGZVFWFLSA-N 0 0 413.522 3.082 50 0 HGAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1 ZINC000032907433 518833533 /nfs/dbraw/zinc/83/35/33/518833533.db2.gz BAWIYSMTYYPBFK-UHFFFAOYSA-N 0 0 413.522 3.002 50 0 HGAARN CC(=O)NCc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)s1 ZINC000045396774 519675275 /nfs/dbraw/zinc/67/52/75/519675275.db2.gz LYWXUZDNIHFTMG-UHFFFAOYSA-N 0 0 410.282 3.284 50 0 HGAARN CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000032833626 519703810 /nfs/dbraw/zinc/70/38/10/519703810.db2.gz QMXIBTVFIVDVKY-UHFFFAOYSA-N 0 0 410.499 3.429 50 0 HGAARN CC(=O)Nc1cc(NC(=O)c2cc(Br)cnc2N(C)C)c(F)cc1F ZINC000079092592 519706225 /nfs/dbraw/zinc/70/62/25/519706225.db2.gz AQTHRONCFGGTGL-UHFFFAOYSA-N 0 0 413.222 3.399 50 0 HGAARN CC(C)CN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000032925917 519713623 /nfs/dbraw/zinc/71/36/23/519713623.db2.gz PLWIHDSWHKDEBU-UHFFFAOYSA-N 0 0 406.470 3.134 50 0 HGAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000032932928 519731438 /nfs/dbraw/zinc/73/14/38/519731438.db2.gz NVSHICWXNXZWQX-OAQYLSRUSA-N 0 0 423.494 3.303 50 0 HGAARN CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CSc1cccs1 ZINC000031605431 519742114 /nfs/dbraw/zinc/74/21/14/519742114.db2.gz JQNBFNPSXQAPSE-UHFFFAOYSA-N 0 0 406.529 3.408 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3nc(C(F)(F)F)c2=O)c1 ZINC000032876037 519742376 /nfs/dbraw/zinc/74/23/76/519742376.db2.gz WNRMNFPYOMZTOO-UHFFFAOYSA-N 0 0 404.348 3.012 50 0 HGAARN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000032737930 519797795 /nfs/dbraw/zinc/79/77/95/519797795.db2.gz SYTAGYYOSTUFSN-OXQOHEQNSA-N 0 0 406.490 3.291 50 0 HGAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000032885727 519799423 /nfs/dbraw/zinc/79/94/23/519799423.db2.gz KXQTWOAHCTYGNS-QGZVFWFLSA-N 0 0 407.561 3.354 50 0 HGAARN CC(C)[C@H](C)NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025355244 519812307 /nfs/dbraw/zinc/81/23/07/519812307.db2.gz XYVWAZFYGFGGOF-ZDUSSCGKSA-N 0 0 406.880 3.427 50 0 HGAARN CCN(CC(=O)NC(C)C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032856058 520324770 /nfs/dbraw/zinc/32/47/70/520324770.db2.gz YLQCASTVYWDNPL-FQEVSTJZSA-N 0 0 405.589 3.130 50 0 HGAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)cc1 ZINC000019832318 520383166 /nfs/dbraw/zinc/38/31/66/520383166.db2.gz KGNJGHKBHZKDEO-OAQYLSRUSA-N 0 0 411.477 3.069 50 0 HGAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)CS2 ZINC000045960918 520555299 /nfs/dbraw/zinc/55/52/99/520555299.db2.gz QMNQVRDAGSBRDR-UHFFFAOYSA-N 0 0 403.548 3.056 50 0 HGAARN CCOC(=O)C1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)CC1 ZINC000025347681 520571737 /nfs/dbraw/zinc/57/17/37/520571737.db2.gz HFSQXJIMUWNQGA-UHFFFAOYSA-N 0 0 420.307 3.359 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000032760008 520804406 /nfs/dbraw/zinc/80/44/06/520804406.db2.gz KFOUMZSIGSYPNJ-UHFFFAOYSA-N 0 0 405.451 3.295 50 0 HGAARN CCOC(=O)C[C@@H](NC(=O)CSc1nc(SC)ns1)c1ccc(C)cc1 ZINC000407947194 520840348 /nfs/dbraw/zinc/84/03/48/520840348.db2.gz FMMCPHMDAVOIRT-CYBMUJFWSA-N 0 0 411.574 3.471 50 0 HGAARN CCOC(=O)C[C@H](NC(=O)NCc1ccc2c(c1)CCN2C(=O)CC)c1ccccc1 ZINC000040454361 520886682 /nfs/dbraw/zinc/88/66/82/520886682.db2.gz WKKQKVZIGPNIJQ-FQEVSTJZSA-N 0 0 423.513 3.479 50 0 HGAARN CCOc1ccc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)cc1 ZINC000072436839 520897599 /nfs/dbraw/zinc/89/75/99/520897599.db2.gz GFHAPIQQMDQTSD-UHFFFAOYSA-N 0 0 418.501 3.285 50 0 HGAARN CCOc1ccc(C(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 ZINC000041089838 520910687 /nfs/dbraw/zinc/91/06/87/520910687.db2.gz XGUFYLWAGKYCCW-UHFFFAOYSA-N 0 0 406.467 3.147 50 0 HGAARN CCOC(=O)N1CCC(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000032759249 520924248 /nfs/dbraw/zinc/92/42/48/520924248.db2.gz CGWSODHYHMGXGK-UHFFFAOYSA-N 0 0 402.322 3.162 50 0 HGAARN CCOc1ccc(N2C[C@@H](C(=O)N[C@H](CC(=O)OC)c3ccc(C)cc3)CC2=O)cc1 ZINC000032821068 521042686 /nfs/dbraw/zinc/04/26/86/521042686.db2.gz LICTZCIQWDIRQX-GHTZIAJQSA-N 0 0 424.497 3.167 50 0 HGAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccco1)CC(F)(F)F ZINC000032718996 521123141 /nfs/dbraw/zinc/12/31/41/521123141.db2.gz DQXWPGOXHMQYLN-UHFFFAOYSA-N 0 0 420.409 3.390 50 0 HGAARN CCN(CCn1cccn1)C(=O)c1cc(-c2cnc(C)nc2)nc2cc(F)ccc21 ZINC000020535427 521183559 /nfs/dbraw/zinc/18/35/59/521183559.db2.gz YBGRVRBUCFSEIJ-UHFFFAOYSA-N 0 0 404.449 3.498 50 0 HGAARN CCN(Cc1nc(COc2ccc(OC)cc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000032868770 521452467 /nfs/dbraw/zinc/45/24/67/521452467.db2.gz UQXUYLSCIHIGHQ-GOSISDBHSA-N 0 0 411.458 3.319 50 0 HGAARN CCC(CC)CN(CC(=O)OC)S(=O)(=O)c1cc(Br)ccc1OC ZINC000032916522 521514243 /nfs/dbraw/zinc/51/42/43/521514243.db2.gz FXRHDENTRYAUTG-UHFFFAOYSA-N 0 0 422.341 3.058 50 0 HGAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C(C)C)c1 ZINC000020169050 521538632 /nfs/dbraw/zinc/53/86/32/521538632.db2.gz CCHNKNWJAPGDTQ-IBGZPJMESA-N 0 0 423.469 3.438 50 0 HGAARN CCOC(=O)c1cccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000020169066 521539020 /nfs/dbraw/zinc/53/90/20/521539020.db2.gz OQFKHZKEAGBYAL-UHFFFAOYSA-N 0 0 424.409 3.402 50 0 HGAARN CCCn1c2ccccc2c2nnc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc21 ZINC000032778398 521638495 /nfs/dbraw/zinc/63/84/95/521638495.db2.gz BRDKMPVGSYBREC-NSHDSACASA-N 0 0 409.523 3.076 50 0 HGAARN CCN1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000040355463 521671356 /nfs/dbraw/zinc/67/13/56/521671356.db2.gz JFDNCXMHSBTIAN-UHFFFAOYSA-N 0 0 413.330 3.480 50 0 HGAARN CO[C@]1(C)NC(=S)N[C@H](c2ccc(OC(F)F)cc2)[C@H]1C(=O)Nc1ccccc1 ZINC000245311662 521768221 /nfs/dbraw/zinc/76/82/21/521768221.db2.gz PQZNVBQHTQSSSF-YRNRMSPPSA-N 0 0 421.469 3.424 50 0 HGAARN COc1c(C)cnc(CN2CC[NH+]([C@@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)c1C ZINC000031811167 521812172 /nfs/dbraw/zinc/81/21/72/521812172.db2.gz FXJBPRPUTHLKMP-JOCHJYFZSA-N 0 0 422.529 3.440 50 0 HGAARN COc1cc(/C=C/C(=O)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000000917569 521928986 /nfs/dbraw/zinc/92/89/86/521928986.db2.gz WTHPYDSYORMBQR-CMDGGOBGSA-N 0 0 400.450 3.214 50 0 HGAARN COC(=O)c1ccc(-c2noc(CN(C)Cc3cnn(-c4ccc(F)cc4)c3)n2)cc1 ZINC000020351875 521932177 /nfs/dbraw/zinc/93/21/77/521932177.db2.gz IJNFBWLRYGRWAQ-UHFFFAOYSA-N 0 0 421.432 3.480 50 0 HGAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccccc2OC)cc1 ZINC000032124194 522105816 /nfs/dbraw/zinc/10/58/16/522105816.db2.gz KCEZOGOAOKATOM-HXUWFJFHSA-N 0 0 406.442 3.385 50 0 biogenic HGAARN CN(CC(=O)N1CCNC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032513442 522443307 /nfs/dbraw/zinc/44/33/07/522443307.db2.gz RCVXDDNZPYREOE-UHFFFAOYSA-N 0 0 423.904 3.176 50 0 HGAARN COC(=O)c1sccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000032906895 522447319 /nfs/dbraw/zinc/44/73/19/522447319.db2.gz NYQMVZIFFYGQDW-JTQLQIEISA-N 0 0 423.288 3.289 50 0 HGAARN COc1cc(COCC2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc(OC)c1 ZINC000077191449 522500317 /nfs/dbraw/zinc/50/03/17/522500317.db2.gz HXYCWFBBKLDSTA-UHFFFAOYSA-N 0 0 419.547 3.336 50 0 HGAARN COc1cc(OC)c(C2=CCN(CC(=O)Nc3nc(C)cs3)CC2)c(OC)c1 ZINC000032804023 522790074 /nfs/dbraw/zinc/79/00/74/522790074.db2.gz NCHNPZBMCSOEQP-UHFFFAOYSA-N 0 0 403.504 3.205 50 0 HGAARN COC(=O)CCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC ZINC000225744610 522956044 /nfs/dbraw/zinc/95/60/44/522956044.db2.gz CKCBQCCFNPEHFJ-QGZVFWFLSA-N 0 0 420.506 3.159 50 0 HGAARN CC[C@H]1C(=O)NCCN1C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC000019836462 522984451 /nfs/dbraw/zinc/98/44/51/522984451.db2.gz OFUFIQOHXKJBSV-IBGZPJMESA-N 0 0 404.470 3.073 50 0 HGAARN COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000032091145 523197884 /nfs/dbraw/zinc/19/78/84/523197884.db2.gz NEXZGTPVUWIIDX-NRFANRHFSA-N 0 0 406.482 3.028 50 0 HGAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(C)c(F)c3)co2)cc1 ZINC000032796975 523210691 /nfs/dbraw/zinc/21/06/91/523210691.db2.gz MDCHENPAPONMHY-UHFFFAOYSA-N 0 0 418.446 3.351 50 0 HGAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@@H]2C[C@@H](C)OC2=O)cc1 ZINC000032736674 523246510 /nfs/dbraw/zinc/24/65/10/523246510.db2.gz MSFOSTWYTYVNKI-FOIQADDNSA-N 0 0 406.438 3.468 50 0 HGAARN CCn1c2ccc(NS(=O)(=O)c3ccc(Br)cc3C)cc2oc1=O ZINC000032958437 523268003 /nfs/dbraw/zinc/26/80/03/523268003.db2.gz SBYBHNGCYLEMBV-UHFFFAOYSA-N 0 0 411.277 3.486 50 0 HGAARN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000032722705 523279814 /nfs/dbraw/zinc/27/98/14/523279814.db2.gz FIOKDHLEGUMRJG-GOSISDBHSA-N 0 0 422.506 3.477 50 0 HGAARN COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)n2)cc1OC ZINC000032768742 523280882 /nfs/dbraw/zinc/28/08/82/523280882.db2.gz XAKDCPSEQVLMPD-ZDUSSCGKSA-N 0 0 421.457 3.440 50 0 HGAARN COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccs1 ZINC000032453820 523336175 /nfs/dbraw/zinc/33/61/75/523336175.db2.gz LIABQPCUCDXXBV-WFASDCNBSA-N 0 0 406.891 3.175 50 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/nfs/dbraw/zinc/65/07/83/558650783.db2.gz LQVNPKQGOACOTB-HSZRJFAPSA-N 0 0 410.470 3.256 50 0 HGAARN CCOC(=O)C1=C(C)N=C2N=C(C(F)(F)F)NN2[C@@H]1c1ccc(OC(F)F)cc1 ZINC000014361391 558653260 /nfs/dbraw/zinc/65/32/60/558653260.db2.gz UCRJWTXNUUBBTJ-GFCCVEGCSA-N 0 0 418.322 3.317 50 0 HGAARN C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)N1CCc2ccccc21 ZINC000026030362 558653816 /nfs/dbraw/zinc/65/38/16/558653816.db2.gz ZSMJGJSRDSVLQJ-VQIMIIECSA-N 0 0 424.472 3.199 50 0 HGAARN COc1cccc(-n2ccnc2SCC(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000026045042 558654002 /nfs/dbraw/zinc/65/40/02/558654002.db2.gz MNNWJEYIGZWNIR-UHFFFAOYSA-N 0 0 402.497 3.259 50 0 HGAARN Cn1nnnc1-c1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000014518267 558655295 /nfs/dbraw/zinc/65/52/95/558655295.db2.gz FKJWFSUWLVEYHD-UHFFFAOYSA-N 0 0 404.455 3.443 50 0 HGAARN C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ncnc2[nH]cnc21 ZINC000026245120 558657718 /nfs/dbraw/zinc/65/77/18/558657718.db2.gz GHKMURYEACMUNN-MRVPVSSYSA-N 0 0 401.835 3.405 50 0 HGAARN COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000026283396 558658348 /nfs/dbraw/zinc/65/83/48/558658348.db2.gz PGIVGGPRGXAJND-GOSISDBHSA-N 0 0 424.545 3.467 50 0 HGAARN COc1ccc(CCNC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)cc1 ZINC000004540679 558662502 /nfs/dbraw/zinc/66/25/02/558662502.db2.gz GUPYQCRSWYMLSA-UHFFFAOYSA-N 0 0 411.454 3.029 50 0 biogenic HGAARN COc1ccccc1-c1nc2s/c(=C/c3ccccc3Br)c(=O)n2n1 ZINC000026534078 558662519 /nfs/dbraw/zinc/66/25/19/558662519.db2.gz DORSVZOXHSMNDU-XNTDXEJSSA-N 0 0 414.284 3.137 50 0 HGAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000014642296 558662708 /nfs/dbraw/zinc/66/27/08/558662708.db2.gz RNCXIXHKBFTHLR-VIFPVBQESA-N 0 0 423.359 3.101 50 0 HGAARN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000026540507 558662724 /nfs/dbraw/zinc/66/27/24/558662724.db2.gz KFOZNBYMAMDDSH-UHFFFAOYSA-N 0 0 416.455 3.202 50 0 HGAARN CCCCn1nnnc1CN1C(=O)N[C@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O ZINC000026676926 558664143 /nfs/dbraw/zinc/66/41/43/558664143.db2.gz ATGRYLBIZSVBFW-HSZRJFAPSA-N 0 0 418.501 3.086 50 0 HGAARN CCCCn1nnnc1CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O ZINC000026676924 558664158 /nfs/dbraw/zinc/66/41/58/558664158.db2.gz ATGRYLBIZSVBFW-QHCPKHFHSA-N 0 0 418.501 3.086 50 0 HGAARN CCCCN(C(=O)c1cc(CC)c(C)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014720252 558664874 /nfs/dbraw/zinc/66/48/74/558664874.db2.gz XMFXQDKWRVGYOM-UHFFFAOYSA-N 0 0 406.552 3.154 50 0 HGAARN COc1ccc([C@H](C)NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1F ZINC000026801971 558665453 /nfs/dbraw/zinc/66/54/53/558665453.db2.gz XWXRSHRDCMXZGF-NSHDSACASA-N 0 0 417.510 3.421 50 0 HGAARN Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1C ZINC000026937175 558667446 /nfs/dbraw/zinc/66/74/46/558667446.db2.gz UCAYJJWEKKJPTG-NRFANRHFSA-N 0 0 421.570 3.492 50 0 HGAARN CN(Cc1c(F)cccc1Cl)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 ZINC000027089990 558669489 /nfs/dbraw/zinc/66/94/89/558669489.db2.gz DLOAWXUNYQCDAS-UHFFFAOYSA-N 0 0 423.897 3.032 50 0 HGAARN CC(C)CNc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)cc(S(=O)(=O)N(C)C)c1 ZINC000014747049 558669551 /nfs/dbraw/zinc/66/95/51/558669551.db2.gz VUSBGADPKIAQTI-INIZCTEOSA-N 0 0 418.563 3.233 50 0 HGAARN CCOc1ccc([C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1 ZINC000027155250 558670308 /nfs/dbraw/zinc/67/03/08/558670308.db2.gz MFYVRBHJFXDGJK-IWFBPKFRSA-N 0 0 417.575 3.475 50 0 HGAARN O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027381364 558672740 /nfs/dbraw/zinc/67/27/40/558672740.db2.gz UAYQDIHWCXWNBS-PKOBYXMFSA-N 0 0 402.458 3.004 50 0 HGAARN Cc1cccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 ZINC000032860137 558673306 /nfs/dbraw/zinc/67/33/06/558673306.db2.gz VPBOISLQEAWGJQ-SJORKVTESA-N 0 0 408.502 3.018 50 0 HGAARN Cc1cc(C)n(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)n1 ZINC000027510112 558673610 /nfs/dbraw/zinc/67/36/10/558673610.db2.gz UBWTUUMSJUCDOO-JOCHJYFZSA-N 0 0 404.514 3.048 50 0 HGAARN Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000027545308 558674537 /nfs/dbraw/zinc/67/45/37/558674537.db2.gz YPNBQTRLKZWLEC-UHFFFAOYSA-N 0 0 416.591 3.121 50 0 HGAARN CCN1C[C@@H](CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc21 ZINC000027543686 558674587 /nfs/dbraw/zinc/67/45/87/558674587.db2.gz ZJFKFUGLXNRHOD-QGZVFWFLSA-N 0 0 408.951 3.333 50 0 HGAARN COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)/C=C/c1cccc2cccnc12 ZINC000014855301 558674982 /nfs/dbraw/zinc/67/49/82/558674982.db2.gz LVNLTAFYGBHAGW-DHZHZOJOSA-N 0 0 419.437 3.397 50 0 HGAARN Cc1ccc(C(=O)NCCc2nnc3n2CCN(C/C=C/c2ccco2)CC3)c(C)c1 ZINC000014878581 558675197 /nfs/dbraw/zinc/67/51/97/558675197.db2.gz XZDYKTUSXIYFQJ-HWKANZROSA-N 0 0 419.529 3.032 50 0 HGAARN COc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc(OC)c1OC ZINC000014881808 558676252 /nfs/dbraw/zinc/67/62/52/558676252.db2.gz MHELTVGDTQUWGJ-UHFFFAOYSA-N 0 0 422.529 3.147 50 0 HGAARN C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(CN3CCc4ccccc43)cc1)CS2 ZINC000027589825 558676900 /nfs/dbraw/zinc/67/69/00/558676900.db2.gz IVXDQXGTNBDNLT-XUZZJYLKSA-N 0 0 421.566 3.320 50 0 HGAARN CC1CCN(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000027588685 558676927 /nfs/dbraw/zinc/67/69/27/558676927.db2.gz OPEPTVXHPDACPT-UHFFFAOYSA-N 0 0 413.587 3.370 50 0 HGAARN C[NH+](C)[C@H](CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1cccc(F)c1 ZINC000027593398 558677115 /nfs/dbraw/zinc/67/71/15/558677115.db2.gz SQPXZUQFEFOTEZ-GOSISDBHSA-N 0 0 414.506 3.007 50 0 HGAARN CC(C)c1c(C(=O)NCCc2ccncc2)cnn1-c1nccc(-c2ccco2)n1 ZINC000014884907 558677200 /nfs/dbraw/zinc/67/72/00/558677200.db2.gz ZDATWACMDGUBQL-UHFFFAOYSA-N 0 0 402.458 3.413 50 0 HGAARN CCc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000027662119 558677916 /nfs/dbraw/zinc/67/79/16/558677916.db2.gz IFGJJQPVJRQXKE-OAQYLSRUSA-N 0 0 402.922 3.471 50 0 HGAARN Cc1nn(C)c(C)c1CN(c1nc2nonc2nc1NCc1cccs1)C1CC1 ZINC000014958277 558683149 /nfs/dbraw/zinc/68/31/49/558683149.db2.gz FIWUPDYWXNLDMH-UHFFFAOYSA-N 0 0 410.507 3.206 50 0 HGAARN CCCCN(C)C(=O)c1sc2ncnc(NCCCN3CCOCC3)c2c1C ZINC000014959088 558683354 /nfs/dbraw/zinc/68/33/54/558683354.db2.gz FVDAVTSMEGZNNG-UHFFFAOYSA-N 0 0 405.568 3.006 50 0 HGAARN O=C(Nc1ccnn1C1CCN(C(=O)c2cc3ccccc3o2)CC1)[C@@H]1CCOC1 ZINC000014959436 558683435 /nfs/dbraw/zinc/68/34/35/558683435.db2.gz UDBDICMUPICOFK-MRXNPFEDSA-N 0 0 408.458 3.082 50 0 HGAARN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000014961262 558684080 /nfs/dbraw/zinc/68/40/80/558684080.db2.gz ZGNYHZWSWYYACC-KRWDZBQOSA-N 0 0 400.498 3.458 50 0 HGAARN COc1ccc(Cn2cc(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)nn2)cc1 ZINC000014965024 558685401 /nfs/dbraw/zinc/68/54/01/558685401.db2.gz KYSNHJRWZZCTBT-UHFFFAOYSA-N 0 0 408.355 3.423 50 0 HGAARN O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC[C@H](OCc2ccccc2)C1 ZINC000014976791 558689492 /nfs/dbraw/zinc/68/94/92/558689492.db2.gz ATAJWOAMHOISIX-NZQKXSOJSA-N 0 0 422.481 3.311 50 0 HGAARN CSCCC(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 ZINC000014978094 558689958 /nfs/dbraw/zinc/68/99/58/558689958.db2.gz JPKLGKMNMIMUTO-UHFFFAOYSA-N 0 0 400.548 3.371 50 0 HGAARN O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CC12CCN(C(=O)c1cccnc1)CC2 ZINC000014987339 558693120 /nfs/dbraw/zinc/69/31/20/558693120.db2.gz ZCAGWFJDUOKHHB-FQEVSTJZSA-N 0 0 401.470 3.148 50 0 HGAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028289062 558696023 /nfs/dbraw/zinc/69/60/23/558696023.db2.gz QFSWYGDJHNTKAP-OAHLLOKOSA-N 0 0 418.902 3.311 50 0 HGAARN CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(C(=O)c1cscn1)CC2 ZINC000014997517 558696554 /nfs/dbraw/zinc/69/65/54/558696554.db2.gz ZOGWYNZQMYQJHQ-UXHICEINSA-N 0 0 413.543 3.303 50 0 HGAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCC[C@H](O)C4)c3C3CC3)n2)c(C)s1 ZINC000014997766 558696562 /nfs/dbraw/zinc/69/65/62/558696562.db2.gz MJZBLUNZLVSBSV-INIZCTEOSA-N 0 0 423.542 3.482 50 0 HGAARN OCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc3c(c2)OCO3)n1 ZINC000028406107 558700171 /nfs/dbraw/zinc/70/01/71/558700171.db2.gz ORSVVVJJUPNKCD-UHFFFAOYSA-N 0 0 404.430 3.082 50 0 HGAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000028431809 558700872 /nfs/dbraw/zinc/70/08/72/558700872.db2.gz QYLCUPIRVQREIM-NTKDMRAZSA-N 0 0 403.482 3.179 50 0 HGAARN COCCOc1ccc(NC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cn1 ZINC000072277781 558703691 /nfs/dbraw/zinc/70/36/91/558703691.db2.gz OCWYEHBHJNQIGR-KRWDZBQOSA-N 0 0 418.881 3.029 50 0 HGAARN O=S(=O)(c1ccc(F)cc1F)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000028741947 558704234 /nfs/dbraw/zinc/70/42/34/558704234.db2.gz IDLGPGSTFUQZGS-UHFFFAOYSA-N 0 0 416.877 3.004 50 0 HGAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)C1CCC1)CC2 ZINC000072280524 558705664 /nfs/dbraw/zinc/70/56/64/558705664.db2.gz LDLIDHIVLZJMDG-OAQYLSRUSA-N 0 0 414.527 3.156 50 0 HGAARN CSc1nnnn1-c1cccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000072281255 558706937 /nfs/dbraw/zinc/70/69/37/558706937.db2.gz KDLOMEFXNTXNAF-KRWDZBQOSA-N 0 0 414.466 3.129 50 0 HGAARN CC(=O)Nc1cccc(-n2c(C)nn(C[C@H](O)COc3ccc(F)cc3)c2=S)c1 ZINC000028919538 558707163 /nfs/dbraw/zinc/70/71/63/558707163.db2.gz YMAHHKWBQPXRLP-SFHVURJKSA-N 0 0 416.478 3.249 50 0 HGAARN 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COc1ccc(CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC ZINC000020111744 568588730 /nfs/dbraw/zinc/58/87/30/568588730.db2.gz RHSXACKJDFTASK-KRWDZBQOSA-N 0 0 413.470 3.172 50 0 biogenic HGAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2NC(=O)CN1CCOCC1 ZINC000020113521 568589285 /nfs/dbraw/zinc/58/92/85/568589285.db2.gz DMLFUNWWXDIAEI-RADHVNICSA-N 0 0 418.622 3.207 50 0 biogenic HGAARN Cc1cc(OC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc(C)n1 ZINC000390827359 568591417 /nfs/dbraw/zinc/59/14/17/568591417.db2.gz GNBONACPTPNHEX-UHFFFAOYSA-N 0 0 415.437 3.344 50 0 HGAARN Cn1cc(CC(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)c2ccccc21 ZINC000390830467 568592165 /nfs/dbraw/zinc/59/21/65/568592165.db2.gz LGUGOWMWIVCGQW-NRFANRHFSA-N 0 0 414.502 3.248 50 0 HGAARN O=C(c1ccccc1Br)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831975 568592405 /nfs/dbraw/zinc/59/24/05/568592405.db2.gz WJZUXZQTNBWIFL-KRWDZBQOSA-N 0 0 408.317 3.451 50 0 HGAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CC2)cc1 ZINC000020324191 568599062 /nfs/dbraw/zinc/59/90/62/568599062.db2.gz CQITWTOESOAYFV-LJQANCHMSA-N 0 0 421.453 3.110 50 0 HGAARN CC(C)(C)c1cc(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)on1 ZINC000095347390 568599884 /nfs/dbraw/zinc/59/98/84/568599884.db2.gz QDMYYFLGHJYRAU-UHFFFAOYSA-N 0 0 413.547 3.338 50 0 HGAARN COC(=O)c1ccc2ccccc2c1OS(=O)(=O)c1cccc2nsnc21 ZINC000095348876 568600230 /nfs/dbraw/zinc/60/02/30/568600230.db2.gz GNFZCSIHJUVKDQ-UHFFFAOYSA-N 0 0 400.437 3.399 50 0 HGAARN CC1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2cccs2)CC1 ZINC000095350888 568601105 /nfs/dbraw/zinc/60/11/05/568601105.db2.gz NHBKHUUIFKZTBS-QGZVFWFLSA-N 0 0 422.572 3.271 50 0 HGAARN O=C(CN1CCN(Cn2cnc3ccccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000095356687 568601587 /nfs/dbraw/zinc/60/15/87/568601587.db2.gz GFKYKZUWBDJUJO-UHFFFAOYSA-N 0 0 417.435 3.269 50 0 HGAARN COc1cccc(OC)c1C(=O)N1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000020375677 568601800 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3.130 50 0 HGAARN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000225400259 568634144 /nfs/dbraw/zinc/63/41/44/568634144.db2.gz RSMIRGCQBXIENU-CABCVRRESA-N 0 0 409.552 3.114 50 0 HGAARN COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)c1C ZINC000095553149 568637585 /nfs/dbraw/zinc/63/75/85/568637585.db2.gz JLSVDPQAIKFBTO-CFEYTUSBSA-N 0 0 402.487 3.318 50 0 biogenic,in-vitro HGAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)NC3CCCCCC3)cc2[n-]c1=S ZINC000020645347 568639105 /nfs/dbraw/zinc/63/91/05/568639105.db2.gz UJWRJRACOHNGAE-UHFFFAOYSA-N 0 0 416.591 3.480 50 0 HGAARN COc1cc2c(cc1OC)C(=O)[C@@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C)C2 ZINC000020759388 568642000 /nfs/dbraw/zinc/64/20/00/568642000.db2.gz RJQXXRSHMDJYGT-FOIQADDNSA-N 0 0 411.454 3.025 50 0 biogenic HGAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cc(=O)oc2c1 ZINC000020810517 568644335 /nfs/dbraw/zinc/64/43/35/568644335.db2.gz OCVUELWJSZAIRJ-UHFFFAOYSA-N 0 0 419.525 3.475 50 0 HGAARN CCOC(=O)C1C(C)=Nc2nc(SCC)nn2[C@@H]1c1cccc(OC)c1OC ZINC000020849856 568645066 /nfs/dbraw/zinc/64/50/66/568645066.db2.gz XMXAXGIFADKCSX-OAHLLOKOSA-N 0 0 404.492 3.259 50 0 HGAARN Cc1ccc([S@@](=O)Cc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)cc1 ZINC000020856198 568645422 /nfs/dbraw/zinc/64/54/22/568645422.db2.gz SDSOPRHBERBXKL-GDLZYMKVSA-N 0 0 409.511 3.253 50 0 HGAARN COc1ccc2oc(=O)cc(CN3CCN(C(=O)c4c(F)cccc4F)CC3)c2c1 ZINC000020869486 568647554 /nfs/dbraw/zinc/64/75/54/568647554.db2.gz JRWLIMXPBXCFOV-UHFFFAOYSA-N 0 0 414.408 3.038 50 0 HGAARN Cc1nc2sc3c(c2c(NC[C@@H]2CN(c4nncs4)CCO2)n1)CCCC3 ZINC000225532006 568647937 /nfs/dbraw/zinc/64/79/37/568647937.db2.gz FOUSNPFTNZQYDM-GFCCVEGCSA-N 0 0 402.549 3.047 50 0 HGAARN Cc1noc(C)c1CCNC(=O)c1ccccc1NC(=O)C1=C(C)OCCS1 ZINC000020919642 568650783 /nfs/dbraw/zinc/65/07/83/568650783.db2.gz FQXICTQYAJTAFA-UHFFFAOYSA-N 0 0 401.488 3.197 50 0 HGAARN COc1ccc(NC(=O)c2c(C)oc3ncnc(N4CCOCC4)c32)cc1Cl ZINC000020942199 568652925 /nfs/dbraw/zinc/65/29/25/568652925.db2.gz 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Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000096105384 568692837 /nfs/dbraw/zinc/69/28/37/568692837.db2.gz NQFUVAJGLFVKHJ-UHFFFAOYSA-N 0 0 405.498 3.339 50 0 HGAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4ncn(C(C)C)c(=O)c4c3)ccc12 ZINC000096114090 568693536 /nfs/dbraw/zinc/69/35/36/568693536.db2.gz RCOBOAZQZJQMEU-UHFFFAOYSA-N 0 0 419.437 3.410 50 0 biogenic HGAARN O=C(c1nc(-c2ccc(F)cc2)no1)N1CCN(c2nsc3ccccc32)CC1 ZINC000012391761 568695866 /nfs/dbraw/zinc/69/58/66/568695866.db2.gz GQYSRZMQJRBCQT-UHFFFAOYSA-N 0 0 409.446 3.448 50 0 HGAARN O=C(CCCNC(=O)c1cnccn1)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000096117026 568696398 /nfs/dbraw/zinc/69/63/98/568696398.db2.gz FURGRWCQADVIBH-INIZCTEOSA-N 0 0 411.893 3.315 50 0 HGAARN Cc1ccc(C(=O)NCCCCCc2nc3ccccc3[nH]2)c(-n2cnnn2)c1C ZINC000096116924 568696424 /nfs/dbraw/zinc/69/64/24/568696424.db2.gz NPWHZRDWNQBDCR-UHFFFAOYSA-N 0 0 403.490 3.298 50 0 HGAARN O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119017 568698509 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O=C(NCc1cccnc1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527826 568709616 /nfs/dbraw/zinc/70/96/16/568709616.db2.gz SDNUGZJKOFBIAY-UHFFFAOYSA-N 0 0 409.449 3.023 50 0 HGAARN CC(C)c1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCC[C@H]4C3=O)cc2)cc1 ZINC000021527127 568709680 /nfs/dbraw/zinc/70/96/80/568709680.db2.gz DSFVNCIMXVMWOC-NRFANRHFSA-N 0 0 405.498 3.396 50 0 HGAARN CCN(C(=O)CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O)c1ccccc1 ZINC000021531418 568711038 /nfs/dbraw/zinc/71/10/38/568711038.db2.gz WUJBMGNQWBUQLO-UHFFFAOYSA-N 0 0 421.950 3.146 50 0 HGAARN C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000012406199 568711285 /nfs/dbraw/zinc/71/12/85/568711285.db2.gz IUYAZMROXCYJOB-SAHWJRBASA-N 0 0 417.509 3.407 50 0 HGAARN CN(C(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21)C1CCCCC1 ZINC000021537221 568712513 /nfs/dbraw/zinc/71/25/13/568712513.db2.gz FNJBXFJIIJQGJE-UHFFFAOYSA-N 0 0 415.494 3.107 50 0 HGAARN Cc1ccc(-n2ccn3c(CCC(=O)N[C@@H](C)c4ccccc4)nnc3c2=O)cc1C ZINC000021540479 568713785 /nfs/dbraw/zinc/71/37/85/568713785.db2.gz ZRYLUQIEBDTJQI-SFHVURJKSA-N 0 0 415.497 3.307 50 0 HGAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000021547778 568713961 /nfs/dbraw/zinc/71/39/61/568713961.db2.gz MTIKGPHHIQFGEH-CYBMUJFWSA-N 0 0 409.895 3.284 50 0 HGAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000005782577 568718621 /nfs/dbraw/zinc/71/86/21/568718621.db2.gz XJJHPQPXNLRJRS-CQSZACIVSA-N 0 0 413.861 3.322 50 0 HGAARN O=C(Oc1c(I)cc(Cl)c2cccnc21)N1CCOCC1 ZINC000000863600 568719580 /nfs/dbraw/zinc/71/95/80/568719580.db2.gz RQDHGLKPELJBCW-UHFFFAOYSA-N 0 0 418.618 3.324 50 0 HGAARN COc1ccc([C@H]2CCCN2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000021581081 568720036 /nfs/dbraw/zinc/72/00/36/568720036.db2.gz XUNFPXXHAOYLGK-JOCHJYFZSA-N 0 0 416.543 3.053 50 0 HGAARN COc1cc(-c2noc([C@H](NC(=O)c3ccco3)C(C)C)n2)cc(OC)c1OC ZINC000096294060 568722003 /nfs/dbraw/zinc/72/20/03/568722003.db2.gz OJNGUIKNYQFCSF-MRXNPFEDSA-N 0 0 401.419 3.483 50 0 HGAARN Cc1sc(NC(=O)CCN2C(=O)CCC2=O)nc1-c1ccc(Br)cc1 ZINC000021598353 568722772 /nfs/dbraw/zinc/72/27/72/568722772.db2.gz WSMXHARQPUEVEE-UHFFFAOYSA-N 0 0 422.304 3.359 50 0 HGAARN CCOC(=O)C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OCC)cc2)cs1 ZINC000012442209 568724290 /nfs/dbraw/zinc/72/42/90/568724290.db2.gz NDOUABHWXGPLQX-UHFFFAOYSA-N 0 0 400.460 3.205 50 0 HGAARN CCS(=O)(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000096317272 568726539 /nfs/dbraw/zinc/72/65/39/568726539.db2.gz WHNNROMWWFXFEY-UHFFFAOYSA-N 0 0 414.575 3.033 50 0 HGAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(Cl)c1)c(=O)n2CC(=O)NCc1ccco1 ZINC000096318010 568727164 /nfs/dbraw/zinc/72/71/64/568727164.db2.gz CPOHMXWKJUWKBN-UHFFFAOYSA-N 0 0 423.856 3.024 50 0 HGAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C)C(=O)N32)cc1OC ZINC000021643595 568727932 /nfs/dbraw/zinc/72/79/32/568727932.db2.gz KNVIKFNDVKLRJM-GFCCVEGCSA-N 0 0 424.482 3.054 50 0 HGAARN CCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(Br)cc4)no3)ccc2c1=O ZINC000096320189 568728567 /nfs/dbraw/zinc/72/85/67/568728567.db2.gz CETKWKRBSJNDJV-UHFFFAOYSA-N 0 0 413.231 3.189 50 0 HGAARN COc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000021651542 568729260 /nfs/dbraw/zinc/72/92/60/568729260.db2.gz KYJGLSXNZOTFHO-KRWDZBQOSA-N 0 0 416.524 3.285 50 0 HGAARN Cc1ccc(C(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)c(C)c1 ZINC000096321827 568729351 /nfs/dbraw/zinc/72/93/51/568729351.db2.gz IMODJVCRUXHIGZ-UHFFFAOYSA-N 0 0 424.526 3.418 50 0 HGAARN Cc1nc2cc(C(=O)N3CCC(n4ccc(C(F)(F)F)n4)CC3)ccc2n1CCO ZINC000241231093 568730789 /nfs/dbraw/zinc/73/07/89/568730789.db2.gz KRXSQOZFZRRATF-UHFFFAOYSA-N 0 0 421.423 3.030 50 0 HGAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C)c3nnc([C@H](C)CC)[nH]3)cc2)c1C ZINC000241439989 568731332 /nfs/dbraw/zinc/73/13/32/568731332.db2.gz NOCRCJHYLJOHJT-KGLIPLIRSA-N 0 0 424.505 3.480 50 0 HGAARN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)CN1CCOCC1)CC(C)(C)O2 ZINC000241644428 568731453 /nfs/dbraw/zinc/73/14/53/568731453.db2.gz PQRCOZZAPJHCHE-QGZVFWFLSA-N 0 0 419.522 3.084 50 0 HGAARN C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCCCC1 ZINC000005797131 568734271 /nfs/dbraw/zinc/73/42/71/568734271.db2.gz FLDALBRILSJIGY-LLVKDONJSA-N 0 0 415.441 3.490 50 0 HGAARN COc1ccccc1CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O ZINC000005798132 568734471 /nfs/dbraw/zinc/73/44/71/568734471.db2.gz WLQSVLDWDXNZCF-XMMPIXPASA-N 0 0 423.513 3.244 50 0 HGAARN O=C(Cn1cnc2c(c1=O)CCN(Cc1ccccc1)C2)Nc1cccc(Cl)c1 ZINC000021658492 568734888 /nfs/dbraw/zinc/73/48/88/568734888.db2.gz VQYNWFLURLNKQU-UHFFFAOYSA-N 0 0 408.889 3.094 50 0 HGAARN COc1ccc(C2=NN(C(N)=S)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000021658588 568735213 /nfs/dbraw/zinc/73/52/13/568735213.db2.gz VCQQPARUDKSAHZ-MRXNPFEDSA-N 0 0 401.488 3.116 50 0 HGAARN O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCC(Cc2ccccc2)CC1 ZINC000096343889 568737121 /nfs/dbraw/zinc/73/71/21/568737121.db2.gz HIGBIEQIDCOCLV-LJQANCHMSA-N 0 0 402.498 3.397 50 0 HGAARN CSCC[C@H](NC(=O)c1cc(-c2cccs2)n(C)n1)c1nnc2ccccn21 ZINC000096344992 568737456 /nfs/dbraw/zinc/73/74/56/568737456.db2.gz HSRUHOYREYYFLQ-ZDUSSCGKSA-N 0 0 412.544 3.416 50 0 HGAARN Cc1cc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)ccc1Br ZINC000096344650 568737491 /nfs/dbraw/zinc/73/74/91/568737491.db2.gz CTJOQYACRDFVNX-MRXNPFEDSA-N 0 0 416.275 3.227 50 0 HGAARN COc1ccc(C(=O)N2CCC(c3nc(CCNC(C)=O)cs3)CC2)c(C)c1 ZINC000096372902 568740386 /nfs/dbraw/zinc/74/03/86/568740386.db2.gz FDGXPJAQGMFRQA-UHFFFAOYSA-N 0 0 401.532 3.159 50 0 HGAARN COc1ccccc1[C@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)OC ZINC000096385078 568741795 /nfs/dbraw/zinc/74/17/95/568741795.db2.gz WALBCZGUFATDDJ-HNNXBMFYSA-N 0 0 405.394 3.260 50 0 HGAARN O=S(=O)(c1ccccc1Br)N1CC[C@@H](n2cnc3ccccc32)C1 ZINC000585149352 568742939 /nfs/dbraw/zinc/74/29/39/568742939.db2.gz WJPJTVUWSMDDPL-CYBMUJFWSA-N 0 0 406.305 3.435 50 0 HGAARN CCc1ccc(NC(=O)N2CCN(c3nnnn3-c3cccc(CC)c3)CC2)cc1 ZINC000021704997 568743427 /nfs/dbraw/zinc/74/34/27/568743427.db2.gz YPOGZJXIAKGNTI-UHFFFAOYSA-N 0 0 405.506 3.141 50 0 HGAARN COc1cccc([C@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)OC)c1 ZINC000096390359 568744550 /nfs/dbraw/zinc/74/45/50/568744550.db2.gz GGFZSIXFWNDLHK-INIZCTEOSA-N 0 0 405.394 3.260 50 0 HGAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1C ZINC000018997146 568745124 /nfs/dbraw/zinc/74/51/24/568745124.db2.gz NYVFACPAYAIWOK-HNNXBMFYSA-N 0 0 401.484 3.172 50 0 HGAARN Cc1oc(C2CCN(C(=O)c3cccc(Br)c3)CC2)nc1C(=O)N(C)C ZINC000096396851 568745481 /nfs/dbraw/zinc/74/54/81/568745481.db2.gz JVQSFOYJCUKKSD-UHFFFAOYSA-N 0 0 420.307 3.467 50 0 HGAARN CCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1 ZINC000096397007 568745567 /nfs/dbraw/zinc/74/55/67/568745567.db2.gz FQHCOSLEOFHJTO-UHFFFAOYSA-N 0 0 400.479 3.495 50 0 HGAARN Cc1oc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1C(=O)N1CCOCC1 ZINC000096397093 568745753 /nfs/dbraw/zinc/74/57/53/568745753.db2.gz HGOQRIFZMKORBU-UHFFFAOYSA-N 0 0 416.453 3.006 50 0 HGAARN Cc1oc(C2CCN(C(=O)Nc3ccc(C)cc3)CC2)nc1C(=O)N1CCOCC1 ZINC000096397089 568745807 /nfs/dbraw/zinc/74/58/07/568745807.db2.gz UKZIWZBOKOPZAK-UHFFFAOYSA-N 0 0 412.490 3.175 50 0 HGAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3ccco3)sc2c1 ZINC000096399563 568748024 /nfs/dbraw/zinc/74/80/24/568748024.db2.gz ALVNNCIIDCEXJE-UHFFFAOYSA-N 0 0 411.530 3.059 50 0 HGAARN COc1cc(OC)c(N2C(=O)CC[C@]2(C)C(=O)NCCCOC(C)C)cc1Cl ZINC000021716781 568749983 /nfs/dbraw/zinc/74/99/83/568749983.db2.gz SBDHAIHZPUAPIV-HXUWFJFHSA-N 0 0 412.914 3.174 50 0 HGAARN COc1ccc(-n2c(=O)n(Cc3ccc(F)cc3Cl)c(=O)c3cccnc32)cc1 ZINC000021723029 568750824 /nfs/dbraw/zinc/75/08/24/568750824.db2.gz HFAZTGPSYRCUCV-UHFFFAOYSA-N 0 0 411.820 3.397 50 0 HGAARN COC(=O)c1ccoc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025143430 568752422 /nfs/dbraw/zinc/75/24/22/568752422.db2.gz GBPNTRBTLMQHHS-UHFFFAOYSA-N 0 0 403.788 3.456 50 0 HGAARN O=S(=O)(c1cccc(F)c1)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000021780146 568752683 /nfs/dbraw/zinc/75/26/83/568752683.db2.gz DCKOEODMCUADQY-UHFFFAOYSA-N 0 0 410.474 3.138 50 0 HGAARN C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000000941641 568753295 /nfs/dbraw/zinc/75/32/95/568753295.db2.gz VXOFSHIXGPNHOO-CQSZACIVSA-N 0 0 402.406 3.006 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)Cn1c2nc(-c3ccccc3)nn2c(=O)cc1C ZINC000021802459 568754154 /nfs/dbraw/zinc/75/41/54/568754154.db2.gz SUFSDDOLGFMHFS-UHFFFAOYSA-N 0 0 423.860 3.167 50 0 HGAARN CCOc1ccc(NC(=O)Cn2c3nc(C4CCCCC4)nn3c(=O)cc2C)cc1 ZINC000021803127 568754351 /nfs/dbraw/zinc/75/43/51/568754351.db2.gz RFZYZOLOALQVIS-UHFFFAOYSA-N 0 0 409.490 3.285 50 0 HGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000000949330 568755372 /nfs/dbraw/zinc/75/53/72/568755372.db2.gz CLLSRFAZWIMDTJ-UHFFFAOYSA-N 0 0 410.517 3.044 50 0 HGAARN COCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021863450 568755412 /nfs/dbraw/zinc/75/54/12/568755412.db2.gz JJAUQHCHBUHQHG-OCJFHSIUSA-N 0 0 413.518 3.304 50 0 HGAARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)C(C)=Nc3ncnn32)cc1OC ZINC000000949740 568755617 /nfs/dbraw/zinc/75/56/17/568755617.db2.gz JAEMYOOHALNREH-FQEVSTJZSA-N 0 0 406.442 3.328 50 0 HGAARN Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000021879632 568757088 /nfs/dbraw/zinc/75/70/88/568757088.db2.gz XXMRSJRJRRRWMV-UHFFFAOYSA-N 0 0 418.453 3.152 50 0 HGAARN COc1ccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N32)cc1 ZINC000021935623 568762149 /nfs/dbraw/zinc/76/21/49/568762149.db2.gz YHRXRMFQMKJJNP-QWHCGFSZSA-N 0 0 408.483 3.434 50 0 HGAARN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CC(C)C)C2=O)cc1OC ZINC000096593051 568763323 /nfs/dbraw/zinc/76/33/23/568763323.db2.gz LYPZLSNVWSHKNH-SFQUDFHCSA-N 0 0 406.504 3.293 50 0 HGAARN Cc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1C ZINC000334162859 568763853 /nfs/dbraw/zinc/76/38/53/568763853.db2.gz SOZWQLYKSSACBB-UHFFFAOYSA-N 0 0 402.394 3.119 50 0 HGAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000004110924 568765736 /nfs/dbraw/zinc/76/57/36/568765736.db2.gz NGGBEAYCOAYQGW-AWEZNQCLSA-N 0 0 411.911 3.293 50 0 HGAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)c3ccccc3)C(=O)[C@@H]12 ZINC000001064214 568766451 /nfs/dbraw/zinc/76/64/51/568766451.db2.gz GLSORGRTUNRMGT-LMGFAJPXSA-N 0 0 408.457 3.398 50 0 HGAARN CC1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)CC1 ZINC000002459475 568771513 /nfs/dbraw/zinc/77/15/13/568771513.db2.gz RWBGHKSTNMHPIK-UHFFFAOYSA-N 0 0 419.547 3.370 50 0 HGAARN Cc1nc2nc(SCC(=O)NC3CC3)nn2c(C)c1Cc1ccccc1Cl ZINC000002461265 568772531 /nfs/dbraw/zinc/77/25/31/568772531.db2.gz HUDMVCLEWYMBSV-UHFFFAOYSA-N 0 0 401.923 3.356 50 0 HGAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCCC3)c3ccccc3C(=O)N1CC2 ZINC000002468387 568772985 /nfs/dbraw/zinc/77/29/85/568772985.db2.gz CPPFEYKOLVJFFD-FGZHOGPDSA-N 0 0 406.482 3.163 50 0 HGAARN CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OCC ZINC000002503541 568777556 /nfs/dbraw/zinc/77/75/56/568777556.db2.gz SCFDTKCXLPJMJR-SJKOYZFVSA-N 0 0 404.488 3.306 50 0 HGAARN O=C1CCCN1c1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000028047424 568778545 /nfs/dbraw/zinc/77/85/45/568778545.db2.gz MYCYSHRCAZPHMD-UHFFFAOYSA-N 0 0 410.495 3.324 50 0 HGAARN COc1cccc2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)oc21 ZINC000225727579 568779998 /nfs/dbraw/zinc/77/99/98/568779998.db2.gz SWXKNAJMGADCQK-UHFFFAOYSA-N 0 0 406.364 3.213 50 0 HGAARN Cc1nc(N2CCC(NC(=O)c3ccc4nsnc4c3)CC2)cc(C(F)(F)F)n1 ZINC000225725539 568780032 /nfs/dbraw/zinc/78/00/32/568780032.db2.gz ZHYNJMNYWZTCRJ-UHFFFAOYSA-N 0 0 422.436 3.207 50 0 HGAARN O=C(c1cc(-c2cccnc2)on1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225733368 568780164 /nfs/dbraw/zinc/78/01/64/568780164.db2.gz ZGNDYGWLOZIWOY-AWEZNQCLSA-N 0 0 404.348 3.444 50 0 HGAARN O=S(=O)(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1F ZINC000055638950 568781127 /nfs/dbraw/zinc/78/11/27/568781127.db2.gz PLQCKOHUVRIOPR-UHFFFAOYSA-N 0 0 402.413 3.186 50 0 HGAARN COc1ccc(-c2n[nH]cc2C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1Cl ZINC000299754361 568782203 /nfs/dbraw/zinc/78/22/03/568782203.db2.gz CVYPPVNFCHKILI-HIFRSBDPSA-N 0 0 424.888 3.160 50 0 biogenic HGAARN Cc1ccccc1N(CC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C)S(C)(=O)=O ZINC000055736484 568782655 /nfs/dbraw/zinc/78/26/55/568782655.db2.gz ZRLAZQQORSDNMA-MRXNPFEDSA-N 0 0 411.527 3.388 50 0 HGAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(C(=O)N3CCCCCC3)cc1)CS2 ZINC000055741604 568782695 /nfs/dbraw/zinc/78/26/95/568782695.db2.gz UDRWPQGBANLPGL-LAUBAEHRSA-N 0 0 401.532 3.095 50 0 HGAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000055762344 568783318 /nfs/dbraw/zinc/78/33/18/568783318.db2.gz IRXLYAOTMYEKFK-CYBMUJFWSA-N 0 0 411.329 3.169 50 0 HGAARN CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1c[nH]c2ccccc21 ZINC000028250610 568783564 /nfs/dbraw/zinc/78/35/64/568783564.db2.gz CSIXSWHIQPGAGB-HXUWFJFHSA-N 0 0 415.457 3.481 50 0 HGAARN O=C(NC1CC1)C1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000055914616 568784454 /nfs/dbraw/zinc/78/44/54/568784454.db2.gz YYHWMWDPPJMOHP-UHFFFAOYSA-N 0 0 401.732 3.472 50 0 HGAARN O=C(Nc1ccccc1Cn1cncn1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000055968905 568784742 /nfs/dbraw/zinc/78/47/42/568784742.db2.gz VNOUGFZQARKUMD-LJQANCHMSA-N 0 0 411.465 3.471 50 0 HGAARN O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000056039130 568785192 /nfs/dbraw/zinc/78/51/92/568785192.db2.gz ZCKNMBZBSPSXPE-HSZRJFAPSA-N 0 0 410.514 3.371 50 0 HGAARN COCCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2ccccc2c1=O ZINC000002619706 568786799 /nfs/dbraw/zinc/78/67/99/568786799.db2.gz QFZJSIVKYIBEEK-CQSZACIVSA-N 0 0 413.499 3.171 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000002626095 568789216 /nfs/dbraw/zinc/78/92/16/568789216.db2.gz TZRRIPFYTRCKKM-UHFFFAOYSA-N 0 0 415.515 3.462 50 0 HGAARN COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2cccs2)cc1 ZINC000002626996 568789416 /nfs/dbraw/zinc/78/94/16/568789416.db2.gz HQQLLQAFDSLVOB-UHFFFAOYSA-N 0 0 408.545 3.401 50 0 HGAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NCCc1ccc(F)cc1 ZINC000002627868 568789808 /nfs/dbraw/zinc/78/98/08/568789808.db2.gz IVRDQJKFJLACGG-UHFFFAOYSA-N 0 0 401.419 3.055 50 0 HGAARN Cc1cc(C)c(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)c(C)c1 ZINC000002633357 568791323 /nfs/dbraw/zinc/79/13/23/568791323.db2.gz MZGMAMOUFCODEJ-UHFFFAOYSA-N 0 0 401.513 3.476 50 0 HGAARN O=C1C[C@H](N2CCC(O)CC2)C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000215704968 568792857 /nfs/dbraw/zinc/79/28/57/568792857.db2.gz VVDWVOVSBPNMCV-IBGZPJMESA-N 0 0 400.862 3.221 50 0 HGAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000002652046 568796673 /nfs/dbraw/zinc/79/66/73/568796673.db2.gz ACTAEOPGKKNVBZ-KRWDZBQOSA-N 0 0 410.442 3.003 50 0 HGAARN CCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O ZINC000002655514 568797669 /nfs/dbraw/zinc/79/76/69/568797669.db2.gz REAQRCAPDBJSCT-UHFFFAOYSA-N 0 0 410.499 3.026 50 0 HGAARN O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000056251392 568798401 /nfs/dbraw/zinc/79/84/01/568798401.db2.gz JCIAHLMXDMRCAO-FQEVSTJZSA-N 0 0 400.425 3.322 50 0 HGAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc4c(c3)CCC4)ccc12 ZINC000002660196 568798659 /nfs/dbraw/zinc/79/86/59/568798659.db2.gz NBXGQHIVAIQUBD-UHFFFAOYSA-N 0 0 407.422 3.151 50 0 HGAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000028635304 568798884 /nfs/dbraw/zinc/79/88/84/568798884.db2.gz YIKHGIADLSLRLQ-UHFFFAOYSA-N 0 0 421.501 3.007 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000002660840 568799093 /nfs/dbraw/zinc/79/90/93/568799093.db2.gz RGRHINXTZJLYOI-UHFFFAOYSA-N 0 0 412.309 3.127 50 0 HGAARN COc1ccc(COC(=O)c2cccc(NC(N)=O)c2)c(Br)c1OC ZINC000056279288 568799816 /nfs/dbraw/zinc/79/98/16/568799816.db2.gz VDGALRJTCGKEMS-UHFFFAOYSA-N 0 0 409.236 3.314 50 0 HGAARN COc1cccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)c1 ZINC000002695536 568801516 /nfs/dbraw/zinc/80/15/16/568801516.db2.gz WDUYWNKJFGYGFK-GDNBJRDFSA-N 0 0 414.284 3.137 50 0 HGAARN CC[C@H](c1nnc(SCC(=O)NCC(F)(F)F)n1-c1ccccc1)N(C)C ZINC000002726062 568803916 /nfs/dbraw/zinc/80/39/16/568803916.db2.gz UXNVGCPERNSBJZ-CYBMUJFWSA-N 0 0 401.458 3.051 50 0 HGAARN CC(C)(C)c1ccc(CCNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000056399162 568805583 /nfs/dbraw/zinc/80/55/83/568805583.db2.gz DCRLIJYZIFMXIY-UHFFFAOYSA-N 0 0 415.563 3.438 50 0 HGAARN Cc1cc(C(F)F)nn1CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002779061 568808230 /nfs/dbraw/zinc/80/82/30/568808230.db2.gz NBJPLPVABHFIAZ-VIFPVBQESA-N 0 0 421.473 3.104 50 0 HGAARN CC[C@H](c1nc2c3cnn(-c4ccccc4)c3ncn2n1)n1cc(Br)cn1 ZINC000002809766 568812032 /nfs/dbraw/zinc/81/20/32/568812032.db2.gz LGUQDIKVHSPYRL-OAHLLOKOSA-N 0 0 423.278 3.422 50 0 HGAARN COc1cc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nnnn32)cc(OC)c1OC ZINC000002914150 568816143 /nfs/dbraw/zinc/81/61/43/568816143.db2.gz AJSCHNADTCAENB-CABCVRRESA-N 0 0 401.854 3.499 50 0 HGAARN CCc1ccc(C(=O)N2CCN(C(=O)CSCc3c(C)noc3C)CC2)cc1 ZINC000029164057 568821361 /nfs/dbraw/zinc/82/13/61/568821361.db2.gz RUQKBRCNMXKIAS-UHFFFAOYSA-N 0 0 401.532 3.072 50 0 HGAARN O=C(NC[C@@H]1COCCO1)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000057078677 568824041 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COc1cc(C(=O)Nc2nccn(-c3cc(C)cc(C)c3)c2=O)cc(OC)c1OC ZINC000015828654 569011735 /nfs/dbraw/zinc/01/17/35/569011735.db2.gz QHWJQKUUMGQQCU-UHFFFAOYSA-N 0 0 409.442 3.127 50 0 HGAARN O=C(CSc1nnc(N2CCOCC2)c2ccccc21)NCc1ccc(F)cc1 ZINC000015829852 569012007 /nfs/dbraw/zinc/01/20/07/569012007.db2.gz MAVHZICSCZMCRM-UHFFFAOYSA-N 0 0 412.490 3.014 50 0 HGAARN Cc1ccc([C@@H](OC[C@H](O)Cn2cnc3ncccc3c2=O)c2ccccc2)cc1 ZINC000012865916 569012057 /nfs/dbraw/zinc/01/20/57/569012057.db2.gz VVODODGUUWSEMZ-IRLDBZIGSA-N 0 0 401.466 3.267 50 0 HGAARN Fc1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2Cc2ccccc2)cc1 ZINC000012871011 569013286 /nfs/dbraw/zinc/01/32/86/569013286.db2.gz FTEKOVWARXWYEH-UHFFFAOYSA-N 0 0 404.434 3.116 50 0 HGAARN C[C@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)C(=O)N1CCCCCC1 ZINC000012876757 569013657 /nfs/dbraw/zinc/01/36/57/569013657.db2.gz IMDQIFNDRAKTTQ-KRWDZBQOSA-N 0 0 419.481 3.334 50 0 HGAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(Br)c3)cc2)C1=O ZINC000015843041 569013904 /nfs/dbraw/zinc/01/39/04/569013904.db2.gz FNQSRSZPYOLIRR-NSHDSACASA-N 0 0 423.288 3.014 50 0 HGAARN COc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)n3C)sc2c1 ZINC000006139635 569014246 /nfs/dbraw/zinc/01/42/46/569014246.db2.gz OAMHHKGSCWPKDN-UHFFFAOYSA-N 0 0 412.500 3.226 50 0 HGAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCNC1=O ZINC000006140627 569014284 /nfs/dbraw/zinc/01/42/84/569014284.db2.gz NDCUEYCFUWMDCW-UHFFFAOYSA-N 0 0 405.549 3.080 50 0 HGAARN CC(C)Oc1ccccc1NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 ZINC000015858666 569014933 /nfs/dbraw/zinc/01/49/33/569014933.db2.gz YORPNAIKQGIXFX-UHFFFAOYSA-N 0 0 416.499 3.429 50 0 HGAARN COc1ccccc1N1CCN(C(=O)C2=CCN(Cc3ccccc3F)CC2)CC1 ZINC000015861010 569015476 /nfs/dbraw/zinc/01/54/76/569015476.db2.gz LYKAUUUSCCVGJI-UHFFFAOYSA-N 0 0 409.505 3.315 50 0 HGAARN CCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc(C(C)=O)cc4)CC3)ccc21 ZINC000015863230 569016073 /nfs/dbraw/zinc/01/60/73/569016073.db2.gz BNVJYNLGZKTJLY-UHFFFAOYSA-N 0 0 419.485 3.145 50 0 HGAARN Cc1ccc2oc(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nc2c1 ZINC000015864030 569016325 /nfs/dbraw/zinc/01/63/25/569016325.db2.gz RPFWTKIPCXRVDV-UHFFFAOYSA-N 0 0 405.907 3.296 50 0 HGAARN COc1ccc(C(=O)N2CCN(Cc3cc(=O)c4cccc(Cl)c4[nH]3)CC2)cc1 ZINC000015865393 569016661 /nfs/dbraw/zinc/01/66/61/569016661.db2.gz NZSINSNAIUVCRS-UHFFFAOYSA-N 0 0 411.889 3.148 50 0 HGAARN COc1ccc(OCCN(C)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1 ZINC000012880933 569018207 /nfs/dbraw/zinc/01/82/07/569018207.db2.gz APZKTRSUWJNBLM-UHFFFAOYSA-N 0 0 417.550 3.490 50 0 HGAARN COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1cccc(Br)c1 ZINC000015881266 569018466 /nfs/dbraw/zinc/01/84/66/569018466.db2.gz RIFRPWZVMXAFFL-UHFFFAOYSA-N 0 0 400.232 3.256 50 0 HGAARN Cc1nnc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)s1 ZINC000015882729 569019186 /nfs/dbraw/zinc/01/91/86/569019186.db2.gz VLHCZRCMTHNBCB-UHFFFAOYSA-N 0 0 407.506 3.073 50 0 HGAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C ZINC000012888531 569019747 /nfs/dbraw/zinc/01/97/47/569019747.db2.gz KZXFFGQAMSKSFI-INIZCTEOSA-N 0 0 401.484 3.272 50 0 HGAARN CC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012889158 569019828 /nfs/dbraw/zinc/01/98/28/569019828.db2.gz KAJCEAUZKGHADL-LJQANCHMSA-N 0 0 402.516 3.148 50 0 HGAARN CC(=O)c1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 ZINC000012902671 569020642 /nfs/dbraw/zinc/02/06/42/569020642.db2.gz QUSBEYNONNLTGQ-UHFFFAOYSA-N 0 0 405.454 3.343 50 0 biogenic HGAARN CSCC[C@@H](CO)NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000012901096 569020794 /nfs/dbraw/zinc/02/07/94/569020794.db2.gz JDKOOQMEBDQUSJ-AWEZNQCLSA-N 0 0 403.500 3.319 50 0 biogenic HGAARN CSc1ccc(C)c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000012902184 569020883 /nfs/dbraw/zinc/02/08/83/569020883.db2.gz WQTZWXMAVIAYJU-UHFFFAOYSA-N 0 0 410.586 3.362 50 0 HGAARN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1nc2c(s1)CCCCC2 ZINC000012907138 569021347 /nfs/dbraw/zinc/02/13/47/569021347.db2.gz FUCVVGQGVDTVGO-UHFFFAOYSA-N 0 0 419.572 3.424 50 0 HGAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000012912692 569021896 /nfs/dbraw/zinc/02/18/96/569021896.db2.gz XSQIBPQFGBYJPX-UHFFFAOYSA-N 0 0 405.426 3.110 50 0 HGAARN COc1cc(OC)c(NC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)cc1Cl ZINC000012913804 569022061 /nfs/dbraw/zinc/02/20/61/569022061.db2.gz JJIFQEWEEIYRHO-LBPRGKRZSA-N 0 0 404.850 3.500 50 0 HGAARN CCN(CC)C(=O)COC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2 ZINC000012914005 569022079 /nfs/dbraw/zinc/02/20/79/569022079.db2.gz QTXZODDUDOLOFW-UHFFFAOYSA-N 0 0 402.472 3.029 50 0 HGAARN CCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000012916704 569022393 /nfs/dbraw/zinc/02/23/93/569022393.db2.gz ZXZVOJXSSXIDQX-CYBMUJFWSA-N 0 0 400.866 3.430 50 0 HGAARN CCC(=O)N(c1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)s1)C1CC1 ZINC000012915572 569022489 /nfs/dbraw/zinc/02/24/89/569022489.db2.gz LIKPOSOMESZLNY-UHFFFAOYSA-N 0 0 409.537 3.460 50 0 HGAARN C[C@@H](Sc1nnc(N)n1C1CC1)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000012919093 569022838 /nfs/dbraw/zinc/02/28/38/569022838.db2.gz RPMZBICCKADFCX-RKDXNWHRSA-N 0 0 402.549 3.471 50 0 HGAARN COc1ccc(CCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000015940515 569024341 /nfs/dbraw/zinc/02/43/41/569024341.db2.gz SBSHGMSNJGRQMO-UHFFFAOYSA-N 0 0 411.527 3.164 50 0 HGAARN Cc1cccc(C(=O)NCC(=O)NCCSc2ccc(Br)cc2)c1 ZINC000012931788 569024834 /nfs/dbraw/zinc/02/48/34/569024834.db2.gz YAJAEIDDSNENOD-UHFFFAOYSA-N 0 0 407.333 3.396 50 0 HGAARN O=C(NCCCc1cc2ccccc2o1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575414211 569025117 /nfs/dbraw/zinc/02/51/17/569025117.db2.gz SQCWRCWUCRGUJX-UHFFFAOYSA-N 0 0 405.454 3.247 50 0 HGAARN CN(C)c1cccc(C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)c1 ZINC000575415092 569025499 /nfs/dbraw/zinc/02/54/99/569025499.db2.gz ZQLYSXMQBWZBPD-LJQANCHMSA-N 0 0 406.935 3.408 50 0 HGAARN CCc1cccc2c(C3=CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)c[nH]c21 ZINC000012933650 569025734 /nfs/dbraw/zinc/02/57/34/569025734.db2.gz HOXFHMDZUQRRQX-HOTGVXAUSA-N 0 0 403.548 3.173 50 0 HGAARN COC(=O)[C@H](NC(=O)Nc1cc(-c2n[nH]c(=O)c3ccccc32)ccc1C)C(C)C ZINC000016021371 569026150 /nfs/dbraw/zinc/02/61/50/569026150.db2.gz OEGPOUFNKAKSCJ-GOSISDBHSA-N 0 0 408.458 3.218 50 0 HGAARN COc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1F ZINC000012935639 569026601 /nfs/dbraw/zinc/02/66/01/569026601.db2.gz RQKRMDNHAZZXPL-UKRRQHHQSA-N 0 0 416.449 3.082 50 0 HGAARN COc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1F ZINC000012935624 569026605 /nfs/dbraw/zinc/02/66/05/569026605.db2.gz RQKRMDNHAZZXPL-HIFRSBDPSA-N 0 0 416.449 3.082 50 0 HGAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012936031 569027081 /nfs/dbraw/zinc/02/70/81/569027081.db2.gz OCHGMGQNAHAUOU-UHFFFAOYSA-N 0 0 423.325 3.021 50 0 HGAARN CN1CCN(C(=O)COc2ccc(Br)cc2)c2nc3ccccc3nc21 ZINC000012937072 569027379 /nfs/dbraw/zinc/02/73/79/569027379.db2.gz FCTXWAQRXVSPLS-UHFFFAOYSA-N 0 0 413.275 3.254 50 0 HGAARN C[C@@H]1C(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000016046987 569028284 /nfs/dbraw/zinc/02/82/84/569028284.db2.gz DXERIAVKNNNPHX-OAHLLOKOSA-N 0 0 416.884 3.416 50 0 HGAARN Cc1cccc(-n2ncc3c2ncn(CC(=O)NCc2ccccc2Cl)c3=O)c1C ZINC000016047551 569028359 /nfs/dbraw/zinc/02/83/59/569028359.db2.gz FOVUEVHCXAONJI-UHFFFAOYSA-N 0 0 421.888 3.169 50 0 HGAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3)co2)s1 ZINC000016047754 569028438 /nfs/dbraw/zinc/02/84/38/569028438.db2.gz XOUUAZHJRYGSOH-UHFFFAOYSA-N 0 0 417.468 3.351 50 0 HGAARN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000012942576 569028783 /nfs/dbraw/zinc/02/87/83/569028783.db2.gz OKQSYNSYCBZJIB-UHFFFAOYSA-N 0 0 407.305 3.221 50 0 HGAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000012944420 569028900 /nfs/dbraw/zinc/02/89/00/569028900.db2.gz VIQWRGVNQBPCEU-UHFFFAOYSA-N 0 0 417.575 3.311 50 0 HGAARN Cc1c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cnn1-c1ccccc1F ZINC000012946299 569029134 /nfs/dbraw/zinc/02/91/34/569029134.db2.gz FGGMBCBAWYPBAJ-UHFFFAOYSA-N 0 0 420.488 3.488 50 0 HGAARN CC(C)n1ncc2cc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn43)cnc21 ZINC000012948706 569029310 /nfs/dbraw/zinc/02/93/10/569029310.db2.gz BFDMKRJSDMVHCC-UHFFFAOYSA-N 0 0 403.368 3.004 50 0 HGAARN C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000012950180 569029397 /nfs/dbraw/zinc/02/93/97/569029397.db2.gz SLPPQRHHGRZSRZ-LRDDRELGSA-N 0 0 403.866 3.088 50 0 HGAARN COC(=O)c1c(C)c(C)sc1NC(=O)CCn1nc(-c2cccs2)oc1=O ZINC000012949620 569029402 /nfs/dbraw/zinc/02/94/02/569029402.db2.gz DZMPLEODBYXYQT-UHFFFAOYSA-N 0 0 407.473 3.059 50 0 HGAARN CCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1 ZINC000016280209 569030395 /nfs/dbraw/zinc/03/03/95/569030395.db2.gz HYVGRQFAXORCON-IBGZPJMESA-N 0 0 407.514 3.095 50 0 HGAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1cccc(Cl)c1Cl ZINC000016311838 569031271 /nfs/dbraw/zinc/03/12/71/569031271.db2.gz ZWBLIVGIRVIZNM-SNVBAGLBSA-N 0 0 414.314 3.031 50 0 HGAARN O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1ccc(Br)s1 ZINC000575605500 569032057 /nfs/dbraw/zinc/03/20/57/569032057.db2.gz ASCGQQNCAHEHDB-JTQLQIEISA-N 0 0 410.380 3.407 50 0 HGAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CC[C@@H](Oc2ccncc2Cl)C1 ZINC000575611477 569032489 /nfs/dbraw/zinc/03/24/89/569032489.db2.gz YWEKKFRYCYVMGW-CYBMUJFWSA-N 0 0 412.833 3.147 50 0 HGAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575612686 569032586 /nfs/dbraw/zinc/03/25/86/569032586.db2.gz LQMJOTOAXUQUHH-HNNXBMFYSA-N 0 0 419.400 3.008 50 0 HGAARN C[C@@H](CNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 ZINC000009253400 569032596 /nfs/dbraw/zinc/03/25/96/569032596.db2.gz BOVZYFPILWEIIO-HNNXBMFYSA-N 0 0 419.510 3.121 50 0 HGAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(F)cc1)C[C@H]1CSCN12 ZINC000035340154 569033335 /nfs/dbraw/zinc/03/33/35/569033335.db2.gz JGSSDCYBPKSSAP-ZJBJCVSYSA-N 0 0 411.502 3.421 50 0 biogenic HGAARN NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000035361626 569033694 /nfs/dbraw/zinc/03/36/94/569033694.db2.gz 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/nfs/dbraw/zinc/15/65/50/569156550.db2.gz HDUGATXJSFIKES-UHFFFAOYSA-N 0 0 411.575 3.263 50 0 HGAARN COc1ccc(CNC(=O)c2ccc3c(c2)nnn3Cc2cccc(OC)c2)cc1 ZINC000065030349 569157100 /nfs/dbraw/zinc/15/71/00/569157100.db2.gz VFVRUQFHWUBKGJ-UHFFFAOYSA-N 0 0 402.454 3.427 50 0 biogenic HGAARN COc1cccc(CNC(=O)c2ccc3c(c2)nnn3Cc2cccc(OC)c2)c1 ZINC000065030380 569157126 /nfs/dbraw/zinc/15/71/26/569157126.db2.gz GSAUHHNIYUYFJD-UHFFFAOYSA-N 0 0 402.454 3.427 50 0 biogenic HGAARN CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccccc2OC)c1=O ZINC000006858717 569157164 /nfs/dbraw/zinc/15/71/64/569157164.db2.gz CSYBYGMRZQCLCU-UHFFFAOYSA-N 0 0 421.453 3.357 50 0 HGAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3nc(C)sc3c2)cc1 ZINC000006859625 569157219 /nfs/dbraw/zinc/15/72/19/569157219.db2.gz JVLPAOWGHAXGGI-UHFFFAOYSA-N 0 0 404.513 3.094 50 0 HGAARN CN(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCCC3)s2)cc1 ZINC000065032060 569157594 /nfs/dbraw/zinc/15/75/94/569157594.db2.gz UAACMBRPJUBYQD-UHFFFAOYSA-N 0 0 421.588 3.309 50 0 HGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)NCCc1ccc(Cl)cc1)CCCCC3 ZINC000169749862 569158008 /nfs/dbraw/zinc/15/80/08/569158008.db2.gz VSCRCZFHDJLMIN-UHFFFAOYSA-N 0 0 412.921 3.245 50 0 HGAARN COc1ccc([C@H](C)NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc1 ZINC000169749860 569158046 /nfs/dbraw/zinc/15/80/46/569158046.db2.gz FTDICODDPAJGBI-INIZCTEOSA-N 0 0 408.502 3.119 50 0 HGAARN O=c1c2cccc(Cl)c2ncn1C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000065034675 569158355 /nfs/dbraw/zinc/15/83/55/569158355.db2.gz GKATYQVNBYLEKK-UHFFFAOYSA-N 0 0 417.918 3.217 50 0 HGAARN O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)NCc1ccc2c(c1)OCO2 ZINC000065035613 569158460 /nfs/dbraw/zinc/15/84/60/569158460.db2.gz VRQXZWDIHQMCOL-UHFFFAOYSA-N 0 0 402.410 3.250 50 0 HGAARN CCn1c2nnc(CCCC(=O)NCc3ccc(C)cc3)n2c2ccsc2c1=O ZINC000006868414 569159345 /nfs/dbraw/zinc/15/93/45/569159345.db2.gz IAYGWSPFUUQEGH-UHFFFAOYSA-N 0 0 409.515 3.073 50 0 HGAARN O=S(=O)(c1ccc(Br)s1)N1CCN(CCc2ccccc2)CC1 ZINC000036385136 569159910 /nfs/dbraw/zinc/15/99/10/569159910.db2.gz QXIHOAXAIPDQCO-UHFFFAOYSA-N 0 0 415.378 3.060 50 0 HGAARN CC(C)NC(=O)CN1CCN(C(=O)CSc2cccc3cccc(Cl)c32)CC1 ZINC000036385388 569160064 /nfs/dbraw/zinc/16/00/64/569160064.db2.gz JFDDMBCDCGGTBL-UHFFFAOYSA-N 0 0 419.978 3.254 50 0 HGAARN CCOc1ccccc1C(=O)N[C@H]1CCN(c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000169753992 569160862 /nfs/dbraw/zinc/16/08/62/569160862.db2.gz YMDONYAWSCKSCH-KRWDZBQOSA-N 0 0 406.486 3.493 50 0 HGAARN CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000169754123 569161053 /nfs/dbraw/zinc/16/10/53/569161053.db2.gz ARVJWBVKOGAVCU-LJQANCHMSA-N 0 0 407.449 3.183 50 0 HGAARN Cc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169758014 569161454 /nfs/dbraw/zinc/16/14/54/569161454.db2.gz HGSLHBMGGUBJSZ-IBGZPJMESA-N 0 0 411.845 3.164 50 0 HGAARN COc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(OC)c(F)c5)no4)c3CO2)cc1 ZINC000169758374 569161580 /nfs/dbraw/zinc/16/15/80/569161580.db2.gz QNWITRNWFBIURU-GOSISDBHSA-N 0 0 423.404 3.423 50 0 HGAARN Cc1ccc(-c2ncc3c(=O)n(Cc4c(C)cc(C)cc4C)c(=O)n(C)c3n2)cc1 ZINC000065057619 569163293 /nfs/dbraw/zinc/16/32/93/569163293.db2.gz YRVSTYHPUHLVBF-UHFFFAOYSA-N 0 0 400.482 3.439 50 0 HGAARN C[C@@H]1Cn2cc(C(=O)Nc3ccc4c(c3)OCCO4)c(=O)c3c(Cl)ccc(c32)O1 ZINC000006877129 569163665 /nfs/dbraw/zinc/16/36/65/569163665.db2.gz ZOFARVZRSTUUEM-LLVKDONJSA-N 0 0 412.829 3.459 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3C)C2)cc1 ZINC000065059301 569164509 /nfs/dbraw/zinc/16/45/09/569164509.db2.gz SYPQPBOWTCVTJQ-QFIPXVFZSA-N 0 0 400.544 3.411 50 0 HGAARN Cc1ccc(C)c(CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)c1 ZINC000169765759 569165834 /nfs/dbraw/zinc/16/58/34/569165834.db2.gz XSOWFOOKTGFUMD-UHFFFAOYSA-N 0 0 406.471 3.329 50 0 HGAARN O=C1c2c(-c3nc(-c4ccsc4)no3)nnn2CCN1Cc1cccc(Cl)c1 ZINC000169765696 569166229 /nfs/dbraw/zinc/16/62/29/569166229.db2.gz BQQXSWLTKQQNTL-UHFFFAOYSA-N 0 0 412.862 3.366 50 0 HGAARN Cn1c(CNC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)nc2ccccc21 ZINC000169766367 569166668 /nfs/dbraw/zinc/16/66/68/569166668.db2.gz UHMMRHIXHTVTPF-QFIPXVFZSA-N 0 0 417.513 3.295 50 0 HGAARN COc1ccc([C@@H]2Cn3nnc(-c4noc(COc5ccccc5)n4)c3CO2)cc1 ZINC000169769068 569167301 /nfs/dbraw/zinc/16/73/01/569167301.db2.gz QYGDDLSXIDWMQI-SFHVURJKSA-N 0 0 405.414 3.187 50 0 HGAARN O=C(N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1)C1(c2ccccc2)CC1 ZINC000169770361 569167388 /nfs/dbraw/zinc/16/73/88/569167388.db2.gz JHDRAYQVQFUSMB-UHFFFAOYSA-N 0 0 420.488 3.197 50 0 HGAARN CCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1-c1cccc(O)c1 ZINC000036394239 569168067 /nfs/dbraw/zinc/16/80/67/569168067.db2.gz RVXFUKSYWJMGKV-UHFFFAOYSA-N 0 0 415.515 3.230 50 0 HGAARN O=C(CCn1nnc2cc(-c3noc(-c4ccccc4F)n3)ccc21)N1CCCC1 ZINC000065075996 569169216 /nfs/dbraw/zinc/16/92/16/569169216.db2.gz JXPCATQSXQHKFQ-UHFFFAOYSA-N 0 0 406.421 3.300 50 0 HGAARN CC(C)NC(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccccc1Cl ZINC000065075607 569169735 /nfs/dbraw/zinc/16/97/35/569169735.db2.gz KGZJEFUZJOOMNY-UHFFFAOYSA-N 0 0 400.870 3.045 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)c(C)c1 ZINC000065076550 569170290 /nfs/dbraw/zinc/17/02/90/569170290.db2.gz RWCDPVIPQXBNNM-KRWDZBQOSA-N 0 0 416.481 3.090 50 0 HGAARN Cc1cccc(C)c1NC(=O)Cn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O ZINC000065076520 569170293 /nfs/dbraw/zinc/17/02/93/569170293.db2.gz VEKRZUOKOZEFQQ-KRWDZBQOSA-N 0 0 416.481 3.090 50 0 HGAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc2S1 ZINC000065077817 569170817 /nfs/dbraw/zinc/17/08/17/569170817.db2.gz QBFOXFHZGWDIEJ-GFCCVEGCSA-N 0 0 422.503 3.451 50 0 HGAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3)ccc2S1 ZINC000065078094 569170895 /nfs/dbraw/zinc/17/08/95/569170895.db2.gz MTUJTKSQEIORKO-CYBMUJFWSA-N 0 0 404.513 3.312 50 0 HGAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)C1 ZINC000006887232 569170901 /nfs/dbraw/zinc/17/09/01/569170901.db2.gz KRHRPXYAPCYRPV-IRXDYDNUSA-N 0 0 415.511 3.393 50 0 HGAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000169772307 569171839 /nfs/dbraw/zinc/17/18/39/569171839.db2.gz WYZXKWLUYJOHOX-UHFFFAOYSA-N 0 0 414.815 3.428 50 0 HGAARN O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000169772901 569171978 /nfs/dbraw/zinc/17/19/78/569171978.db2.gz BWBDAGUDSSJRJJ-JTQLQIEISA-N 0 0 417.238 3.456 50 0 HGAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(F)ccc4F)ccn3n2)cc1C ZINC000169775949 569172342 /nfs/dbraw/zinc/17/23/42/569172342.db2.gz BNSZPHZDTGNGQM-UHFFFAOYSA-N 0 0 422.435 3.488 50 0 HGAARN CCCc1noc(-c2cccn3c(CNC(=O)c4ccc5cc[nH]c5c4)nnc23)n1 ZINC000169776228 569172677 /nfs/dbraw/zinc/17/26/77/569172677.db2.gz DOEHZLHHNLDGCG-UHFFFAOYSA-N 0 0 401.430 3.143 50 0 HGAARN CCCc1noc(-c2ccn3c(c2)nnc3CNC(=O)Cc2ccc(Cl)cc2)n1 ZINC000169776194 569172678 /nfs/dbraw/zinc/17/26/78/569172678.db2.gz UCPPEOKZIOHKTJ-UHFFFAOYSA-N 0 0 410.865 3.244 50 0 HGAARN Cc1ccsc1C(=O)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778003 569173280 /nfs/dbraw/zinc/17/32/80/569173280.db2.gz ZTYUPFCTYUFTFZ-HNNXBMFYSA-N 0 0 406.471 3.452 50 0 HGAARN O=C(c1cccc(F)c1)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778050 569173408 /nfs/dbraw/zinc/17/34/08/569173408.db2.gz RXEBTAHXSIPNHM-QGZVFWFLSA-N 0 0 404.405 3.221 50 0 HGAARN CC(C)Cc1nc2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)ccc2[nH]1 ZINC000169779910 569174686 /nfs/dbraw/zinc/17/46/86/569174686.db2.gz DVEFZBCEJKEDMX-GOSISDBHSA-N 0 0 419.485 3.231 50 0 HGAARN C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)cc2NC1=O ZINC000006893462 569174877 /nfs/dbraw/zinc/17/48/77/569174877.db2.gz ORBJTRHRUVKMDL-AWEZNQCLSA-N 0 0 422.572 3.290 50 0 HGAARN Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000006893501 569174916 /nfs/dbraw/zinc/17/49/16/569174916.db2.gz FVSMFUNCCFXOMG-ZDUSSCGKSA-N 0 0 404.513 3.230 50 0 HGAARN C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3)cc2NC1=O ZINC000006893546 569174941 /nfs/dbraw/zinc/17/49/41/569174941.db2.gz YSJHFIBVCDEDCW-NSHDSACASA-N 0 0 408.476 3.061 50 0 HGAARN COc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1 ZINC000169781408 569175069 /nfs/dbraw/zinc/17/50/69/569175069.db2.gz JLASQKTWWJBKPZ-KRWDZBQOSA-N 0 0 416.441 3.091 50 0 HGAARN COc1ccc(CNC(=O)Cc2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1 ZINC000006895084 569175246 /nfs/dbraw/zinc/17/52/46/569175246.db2.gz OETPUFFGQRURCG-UHFFFAOYSA-N 0 0 412.511 3.488 50 0 HGAARN COc1ccc(CCNC(=O)c2ccc(-n3cnc4cccnc43)cc2)cc1OC ZINC000006900614 569176272 /nfs/dbraw/zinc/17/62/72/569176272.db2.gz FBEFMHMUUGBLAE-UHFFFAOYSA-N 0 0 402.454 3.410 50 0 biogenic HGAARN CCN1C(=O)COc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc21 ZINC000065098286 569177035 /nfs/dbraw/zinc/17/70/35/569177035.db2.gz LSOYBJWBRUATFV-MRXNPFEDSA-N 0 0 418.453 3.311 50 0 HGAARN O=S(=O)(NC[C@@H]1CCCO1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098088 569177048 /nfs/dbraw/zinc/17/70/48/569177048.db2.gz PESGUXIEOJVAJU-AWEZNQCLSA-N 0 0 409.464 3.062 50 0 HGAARN C[C@@H]1CCC[C@@H](NC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)[C@@H]1C ZINC000006901399 569177555 /nfs/dbraw/zinc/17/75/55/569177555.db2.gz QYZKFPLLQMXMKZ-MBOZVWFJSA-N 0 0 417.575 3.367 50 0 HGAARN Cc1ccccc1CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000006901413 569177562 /nfs/dbraw/zinc/17/75/62/569177562.db2.gz VTVOXSMWEJRZQR-UHFFFAOYSA-N 0 0 411.527 3.051 50 0 HGAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CC(=O)NC3CCCC3)c2)CC1 ZINC000006901471 569177632 /nfs/dbraw/zinc/17/76/32/569177632.db2.gz VGIIEUVSRRXVNQ-UHFFFAOYSA-N 0 0 403.548 3.121 50 0 HGAARN Cc1cc(OCC(=O)N(C)c2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000065101767 569178392 /nfs/dbraw/zinc/17/83/92/569178392.db2.gz KOLVBQGFCFPSJQ-UHFFFAOYSA-N 0 0 417.513 3.153 50 0 HGAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccccn4)CC3)n2)c1 ZINC000065111418 569178942 /nfs/dbraw/zinc/17/89/42/569178942.db2.gz UBURKXLKACTZOQ-UHFFFAOYSA-N 0 0 405.458 3.500 50 0 HGAARN Cc1ccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1F ZINC000065115193 569179305 /nfs/dbraw/zinc/17/93/05/569179305.db2.gz PFPRHFCMDDLFOT-UHFFFAOYSA-N 0 0 403.435 3.312 50 0 HGAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)NCc1cccs1 ZINC000065116033 569179677 /nfs/dbraw/zinc/17/96/77/569179677.db2.gz QZOZCSDJNBBLQG-UHFFFAOYSA-N 0 0 421.500 3.157 50 0 HGAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)N(C)Cc2ccco2)c1 ZINC000065115890 569179689 /nfs/dbraw/zinc/17/96/89/569179689.db2.gz RMCRTTAIWVAJCM-UHFFFAOYSA-N 0 0 403.460 3.331 50 0 HGAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)NCc2ccco2)c1 ZINC000065116289 569179796 /nfs/dbraw/zinc/17/97/96/569179796.db2.gz KYSZSNLXOOHRDT-UHFFFAOYSA-N 0 0 403.460 3.242 50 0 HGAARN C[C@H](CNC(=O)c1nc(Cn2c(=O)oc3ccc(Cl)cc32)no1)c1ccccc1 ZINC000065111826 569180379 /nfs/dbraw/zinc/18/03/79/569180379.db2.gz PLYXPMPMTPSDGF-GFCCVEGCSA-N 0 0 412.833 3.213 50 0 HGAARN COc1ccc(CNC(=O)CSc2cc(N3C[C@H](C)C[C@@H](C)C3)ncn2)cc1 ZINC000065133594 569182984 /nfs/dbraw/zinc/18/29/84/569182984.db2.gz ASMWPSXMBGUVJN-HZPDHXFCSA-N 0 0 400.548 3.376 50 0 HGAARN COc1ccc(CNC(=O)CSc2cc(N3C[C@@H](C)C[C@H](C)C3)ncn2)cc1 ZINC000065133592 569183029 /nfs/dbraw/zinc/18/30/29/569183029.db2.gz ASMWPSXMBGUVJN-HOTGVXAUSA-N 0 0 400.548 3.376 50 0 HGAARN CCc1cccc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)c1 ZINC000065134368 569183224 /nfs/dbraw/zinc/18/32/24/569183224.db2.gz BCUBBIHUUOPFJU-UHFFFAOYSA-N 0 0 408.527 3.151 50 0 HGAARN CCn1nccc1-c1cccc(-c2noc(CNS(=O)(=O)c3ccccc3)n2)c1 ZINC000065137318 569183616 /nfs/dbraw/zinc/18/36/16/569183616.db2.gz CGLPXOWDEYWVRC-UHFFFAOYSA-N 0 0 409.471 3.099 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)cc1F ZINC000065150919 569186246 /nfs/dbraw/zinc/18/62/46/569186246.db2.gz RCINGLBFFHKSBV-UHFFFAOYSA-N 0 0 409.446 3.128 50 0 HGAARN COC(=O)c1ccc(NC(=O)CSc2nccc(N3CCCCCC3)n2)cc1 ZINC000065151233 569186251 /nfs/dbraw/zinc/18/62/51/569186251.db2.gz DSDFFTHEYYJWQB-UHFFFAOYSA-N 0 0 400.504 3.374 50 0 HGAARN CC[C@H](C)NC(=O)CSc1nccc(N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000065151387 569186318 /nfs/dbraw/zinc/18/63/18/569186318.db2.gz BVSGPYHETABRMW-SFHVURJKSA-N 0 0 413.591 3.427 50 0 HGAARN CCCCc1ccc(NC(=O)Cn2nc3c(N4CCCCCC4)nccn3c2=O)cc1 ZINC000065151509 569186431 /nfs/dbraw/zinc/18/64/31/569186431.db2.gz JSVMNXGLGAYQAK-UHFFFAOYSA-N 0 0 422.533 3.253 50 0 HGAARN CCOc1cc(C(=O)Nc2cc(F)ccc2C)ccc1OCC(=O)N1CCOCC1 ZINC000006946502 569187421 /nfs/dbraw/zinc/18/74/21/569187421.db2.gz QRQDTHRLDXMERY-UHFFFAOYSA-N 0 0 416.449 3.023 50 0 HGAARN CCN(Cc1ccccc1)C(=O)CN1c2ccccc2[C@@](O)(c2cccc(F)c2)C1=O ZINC000065155377 569188147 /nfs/dbraw/zinc/18/81/47/569188147.db2.gz QAROJBIZLTWKPF-VWLOTQADSA-N 0 0 418.468 3.457 50 0 HGAARN Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000006949508 569188470 /nfs/dbraw/zinc/18/84/70/569188470.db2.gz NKOJWZCBBJQLAF-ZDUSSCGKSA-N 0 0 404.513 3.230 50 0 HGAARN CCOc1ccccc1NC(=O)Cn1c(C)nc2c(-c3ccncc3)nsc2c1=O ZINC000065171043 569189247 /nfs/dbraw/zinc/18/92/47/569189247.db2.gz CWOLOGJCDJLBEE-UHFFFAOYSA-N 0 0 421.482 3.261 50 0 HGAARN O=C(NCc1csc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1)C1CCC1 ZINC000065173384 569190189 /nfs/dbraw/zinc/19/01/89/569190189.db2.gz LWHDXEFXFMTORB-MRXNPFEDSA-N 0 0 419.572 3.128 50 0 HGAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000036476273 569190256 /nfs/dbraw/zinc/19/02/56/569190256.db2.gz GNLOOIMMGCCSEJ-HNNXBMFYSA-N 0 0 419.884 3.029 50 0 HGAARN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)cc1 ZINC000065179210 569190358 /nfs/dbraw/zinc/19/03/58/569190358.db2.gz FHEXSFUZACRFDF-FQEVSTJZSA-N 0 0 422.525 3.399 50 0 HGAARN CCc1nnc(-c2c(C)c(S(=O)(=O)NCc3cccc(F)c3)c(C)n2CC)o1 ZINC000065186584 569192185 /nfs/dbraw/zinc/19/21/85/569192185.db2.gz PKFWFFXLCNEBLD-UHFFFAOYSA-N 0 0 406.483 3.355 50 0 HGAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000006977130 569192443 /nfs/dbraw/zinc/19/24/43/569192443.db2.gz ORKCBYNAQAEOST-NSHDSACASA-N 0 0 407.492 3.206 50 0 HGAARN Cc1ccc(C)c(NC(=O)Cn2nc(-c3nc(-c4ccc(F)cc4)no3)ccc2=O)c1 ZINC000065197522 569193020 /nfs/dbraw/zinc/19/30/20/569193020.db2.gz YDUYALIZZJYNDX-UHFFFAOYSA-N 0 0 419.416 3.355 50 0 HGAARN Cc1ccccc1NC(=O)Cn1nc(-c2nc(-c3ccc(F)cc3)no2)ccc1=O ZINC000065197506 569193023 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COC(=O)CCCNC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 ZINC000007727877 569303599 /nfs/dbraw/zinc/30/35/99/569303599.db2.gz KWBRNRYZRYPKSJ-UHFFFAOYSA-N 0 0 416.547 3.477 50 0 HGAARN C[C@@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)Nc1ccc2ccccc2c1 ZINC000007739512 569305413 /nfs/dbraw/zinc/30/54/13/569305413.db2.gz UCSSETMMZYMEOK-CYBMUJFWSA-N 0 0 411.845 3.188 50 0 HGAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1csc2c1CCCC2 ZINC000007737947 569305615 /nfs/dbraw/zinc/30/56/15/569305615.db2.gz HIVYWZTYCGIHSV-UHFFFAOYSA-N 0 0 400.500 3.499 50 0 HGAARN CC(C)c1ccc([C@@H]2[C@H](S(=O)(=O)N3CCc4ccccc4C3)CON2C)cc1 ZINC000037547622 569305916 /nfs/dbraw/zinc/30/59/16/569305916.db2.gz XHEPJYUEAJTFEE-FGZHOGPDSA-N 0 0 400.544 3.485 50 0 HGAARN COc1ccccc1-n1c2ncn(Cc3ccc(C)cc3)c2c(=O)n(CC(C)C)c1=O ZINC000037558389 569306625 /nfs/dbraw/zinc/30/66/25/569306625.db2.gz LYYULCLXPRAURQ-UHFFFAOYSA-N 0 0 418.497 3.370 50 0 HGAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nc3ccccc3s1)C2=O ZINC000007767227 569308085 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50 0 HGAARN CCOC(=O)c1sc(NC(=O)[C@H](NC(=O)c2ccc(OC)cc2)C(C)C)nc1C ZINC000007813963 569312425 /nfs/dbraw/zinc/31/24/25/569312425.db2.gz USTYQOBJZCCARQ-OAHLLOKOSA-N 0 0 419.503 3.030 50 0 HGAARN Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)c1 ZINC000007820811 569313021 /nfs/dbraw/zinc/31/30/21/569313021.db2.gz ZKRADNUFIUDZCC-XMMPIXPASA-N 0 0 405.498 3.045 50 0 HGAARN COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc2c1OCO2 ZINC000066089684 569314412 /nfs/dbraw/zinc/31/44/12/569314412.db2.gz REVZSRBEGFVOMJ-CQSZACIVSA-N 0 0 410.451 3.384 50 0 HGAARN Cc1ccc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000002233964 569320387 /nfs/dbraw/zinc/32/03/87/569320387.db2.gz UHCCNVAJOSCQAE-DLBZAZTESA-N 0 0 407.557 3.348 50 0 HGAARN O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000003008870 569322721 /nfs/dbraw/zinc/32/27/21/569322721.db2.gz YBBOXKKKRPGZQF-UHFFFAOYSA-N 0 0 419.865 3.274 50 0 HGAARN Cc1nc2sc3c(c2c2nc(C(=O)NCCCOC(C)C)nn21)CC(C)(C)OC3 ZINC000002242019 569323662 /nfs/dbraw/zinc/32/36/62/569323662.db2.gz GVAHRZVLNUJGIF-UHFFFAOYSA-N 0 0 417.535 3.044 50 0 HGAARN CCCCn1c(CCC(=O)N[C@H](C)CCC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000027460895 569324800 /nfs/dbraw/zinc/32/48/00/569324800.db2.gz HYWQUYGWQGPCIP-MRXNPFEDSA-N 0 0 422.595 3.324 50 0 HGAARN CCCOc1ccc(-c2nc3s/c(=C\c4cc(OC)ccc4OC)c(=O)n3n2)cc1 ZINC000002258412 569324952 /nfs/dbraw/zinc/32/49/52/569324952.db2.gz HHFJKSYODFIQJS-UYRXBGFRSA-N 0 0 423.494 3.172 50 0 HGAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2N)c1 ZINC000002264762 569325578 /nfs/dbraw/zinc/32/55/78/569325578.db2.gz HEXVJMOGYBKWBG-UHFFFAOYSA-N 0 0 403.895 3.442 50 0 HGAARN CCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002264208 569325595 /nfs/dbraw/zinc/32/55/95/569325595.db2.gz IAGNHLPERJDCKO-UHFFFAOYSA-N 0 0 405.458 3.313 50 0 HGAARN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000021986168 569357637 /nfs/dbraw/zinc/35/76/37/569357637.db2.gz JKQQZJHNUVDHKP-KIYFCUGLSA-N 0 0 406.494 3.472 50 0 HGAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(Cl)cc2)N2CCCN32)cc1 ZINC000136437064 569359288 /nfs/dbraw/zinc/35/92/88/569359288.db2.gz FKESPDMCVYWJEE-SLFFLAALSA-N 0 0 411.889 3.274 50 0 HGAARN O=C(NCc1ccc(F)cc1)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1 ZINC000253370715 569364744 /nfs/dbraw/zinc/36/47/44/569364744.db2.gz VDIMPAGJFQOJLP-UIFIKXQLSA-N 0 0 416.518 3.464 50 0 HGAARN CC(C)Cn1ccc2c1cccc2OCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000253397985 569365244 /nfs/dbraw/zinc/36/52/44/569365244.db2.gz BUPONMRJQVQLKY-MOPGFXCFSA-N 0 0 419.525 3.484 50 0 biogenic HGAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000253400624 569365616 /nfs/dbraw/zinc/36/56/16/569365616.db2.gz FAVZCPAXYZFXKF-UXHICEINSA-N 0 0 416.481 3.172 50 0 biogenic HGAARN CC(C)n1ccc2c1cccc2OCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000253402295 569365637 /nfs/dbraw/zinc/36/56/37/569365637.db2.gz GFVSDEOEKQOCLY-MSOLQXFVSA-N 0 0 405.498 3.409 50 0 biogenic HGAARN Cn1c2ccccc2nc1[C@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccccc1 ZINC000253405285 569365997 /nfs/dbraw/zinc/36/59/97/569365997.db2.gz KBCNPHBKPBSXRC-GOSISDBHSA-N 0 0 419.872 3.240 50 0 HGAARN COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1oc2ccccc2c(=O)c1O ZINC000253412569 569366665 /nfs/dbraw/zinc/36/66/65/569366665.db2.gz RKFODRAMMMKJLW-CQSZACIVSA-N 0 0 414.410 3.219 50 0 biogenic HGAARN CCCOc1c(Br)cc(Br)cc1/C=C1\NC(=S)NC1=O ZINC000027532017 569367156 /nfs/dbraw/zinc/36/71/56/569367156.db2.gz NPYKRSTYXXNUGN-YHYXMXQVSA-N 0 0 420.126 3.346 50 0 HGAARN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCCC[Si](C)(C)C ZINC000253426333 569368269 /nfs/dbraw/zinc/36/82/69/569368269.db2.gz ZIGDNUQLSNRZRL-UHFFFAOYSA-N 0 0 401.605 3.185 50 0 HGAARN COC(=O)[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc2c(c1)CCO2 ZINC000253430422 569368744 /nfs/dbraw/zinc/36/87/44/569368744.db2.gz QRFJKYFGLIEPPC-JOCHJYFZSA-N 0 0 420.465 3.148 50 0 HGAARN COC(=O)[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc2c(c1)CCO2 ZINC000253430427 569368756 /nfs/dbraw/zinc/36/87/56/569368756.db2.gz QRFJKYFGLIEPPC-QFIPXVFZSA-N 0 0 420.465 3.148 50 0 HGAARN Cc1cccc(-n2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)c1 ZINC000002290971 569368979 /nfs/dbraw/zinc/36/89/79/569368979.db2.gz AZSXGOBVKCQYLT-MRXNPFEDSA-N 0 0 401.470 3.373 50 0 HGAARN CCn1nc(CC(=O)c2ccc(Br)cc2)c(=O)n2c3ccccc3nc21 ZINC000002306291 569372556 /nfs/dbraw/zinc/37/25/56/569372556.db2.gz YZPSJBIPLZXIFF-UHFFFAOYSA-N 0 0 411.259 3.252 50 0 HGAARN COc1cc(C(=O)Nc2nnc(COc3ccccc3)s2)cc(OC)c1OC ZINC000002309169 569372806 /nfs/dbraw/zinc/37/28/06/569372806.db2.gz BNFYGXDLNTXCJM-UHFFFAOYSA-N 0 0 401.444 3.395 50 0 HGAARN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)C=Cc3ccco3)nn12 ZINC000002326492 569375425 /nfs/dbraw/zinc/37/54/25/569375425.db2.gz PQASDFJGQSCMOE-CMDGGOBGSA-N 0 0 410.484 3.281 50 0 HGAARN COCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002331081 569375768 /nfs/dbraw/zinc/37/57/68/569375768.db2.gz VPBWREXTZADAPG-UHFFFAOYSA-N 0 0 406.442 3.027 50 0 HGAARN COC[C@H](C)OC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002336446 569376052 /nfs/dbraw/zinc/37/60/52/569376052.db2.gz XUZCMQNIFMIKML-LBPRGKRZSA-N 0 0 420.425 3.076 50 0 HGAARN CC1(C)Cc2cccc(OCC(=O)NC[C@](O)(c3ccoc3)c3cccs3)c2O1 ZINC000253471622 569381203 /nfs/dbraw/zinc/38/12/03/569381203.db2.gz DKEHXDOYNYOATF-QFIPXVFZSA-N 0 0 413.495 3.486 50 0 HGAARN NS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000553822875 569381929 /nfs/dbraw/zinc/38/19/29/569381929.db2.gz UELAMPZCRAIDQI-LBPRGKRZSA-N 0 0 421.569 3.166 50 0 HGAARN CCCCn1c(N)c(N(C)CCCCCn2c(C)nc3ccccc32)c(=O)[nH]c1=O ZINC000253630223 569383344 /nfs/dbraw/zinc/38/33/44/569383344.db2.gz NOQLTDJKUQTYLV-UHFFFAOYSA-N 0 0 412.538 3.296 50 0 HGAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000253623964 569389212 /nfs/dbraw/zinc/38/92/12/569389212.db2.gz WJRIEECNDNWFBT-KRWDZBQOSA-N 0 0 422.872 3.431 50 0 HGAARN COc1ccc(-n2ccc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)n2)cc1 ZINC000055166548 569391857 /nfs/dbraw/zinc/39/18/57/569391857.db2.gz NAOVMWOPUSVBJG-UHFFFAOYSA-N 0 0 405.454 3.322 50 0 HGAARN COCCn1cc(CCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21 ZINC000225417113 569395184 /nfs/dbraw/zinc/39/51/84/569395184.db2.gz VGTZQJUDTWJXAB-QUCCMNQESA-N 0 0 419.525 3.028 50 0 biogenic HGAARN Cc1cccc(S(=O)(=O)c2c(N)n(C[C@@H]3CCCO3)c3nc4ccccc4nc32)c1 ZINC000002404362 569395883 /nfs/dbraw/zinc/39/58/83/569395883.db2.gz NUIGMGMPPDPRGD-HNNXBMFYSA-N 0 0 422.510 3.487 50 0 HGAARN COc1cc(-c2nc3c4cnn(-c5ccc(C)cc5)c4ncn3n2)cc(OC)c1OC ZINC000002424017 569398289 /nfs/dbraw/zinc/39/82/89/569398289.db2.gz LLQAFWHXFJYWIJ-UHFFFAOYSA-N 0 0 416.441 3.464 50 0 HGAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000002425501 569398486 /nfs/dbraw/zinc/39/84/86/569398486.db2.gz FBYLKHGXVAEKFX-ZWKOTPCHSA-N 0 0 403.442 3.086 50 0 HGAARN CN1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000012419201 569401119 /nfs/dbraw/zinc/40/11/19/569401119.db2.gz BJOADSGFQIWCOH-UHFFFAOYSA-N 0 0 401.463 3.065 50 0 HGAARN O=c1/c(=C\c2cccc(Br)c2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002445635 569401355 /nfs/dbraw/zinc/40/13/55/569401355.db2.gz BXDSVKOXONFJKM-NTEUORMPSA-N 0 0 402.248 3.267 50 0 HGAARN Cc1ccc(SCCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000007942958 569402252 /nfs/dbraw/zinc/40/22/52/569402252.db2.gz VCWDDJQJZHENOB-UHFFFAOYSA-N 0 0 409.529 3.055 50 0 HGAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000012661801 569402727 /nfs/dbraw/zinc/40/27/27/569402727.db2.gz HYVKOTHXSVXPKJ-YJBOKZPZSA-N 0 0 420.343 3.384 50 0 biogenic HGAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000007947647 569402866 /nfs/dbraw/zinc/40/28/66/569402866.db2.gz BLPXLCCRKQRGOZ-UHFFFAOYSA-N 0 0 400.442 3.160 50 0 HGAARN COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000012754080 569403052 /nfs/dbraw/zinc/40/30/52/569403052.db2.gz GYAVHCGMIIXUHH-UHFFFAOYSA-N 0 0 408.907 3.062 50 0 HGAARN CCOC(=O)C1=NO[C@H](CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)C1 ZINC000012859384 569404220 /nfs/dbraw/zinc/40/42/20/569404220.db2.gz XDCSTGSSHSWVIM-INIZCTEOSA-N 0 0 422.890 3.243 50 0 HGAARN Cc1nn(-c2ccc(N3CCN(C(=O)c4cc(C)ccc4C)CC3)nn2)c(C)c1C ZINC000013009026 569407058 /nfs/dbraw/zinc/40/70/58/569407058.db2.gz COKLTFHHJWXXNK-UHFFFAOYSA-N 0 0 404.518 3.167 50 0 HGAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccccc1OCC ZINC000013010231 569407256 /nfs/dbraw/zinc/40/72/56/569407256.db2.gz QOUGMFRQERQNML-UHFFFAOYSA-N 0 0 421.453 3.369 50 0 HGAARN O=C(CCSc1ccccc1)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000013059190 569408225 /nfs/dbraw/zinc/40/82/25/569408225.db2.gz AHSGTTQXIXZYEV-UHFFFAOYSA-N 0 0 418.824 3.346 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000002456888 569411534 /nfs/dbraw/zinc/41/15/34/569411534.db2.gz FUBNAKLXSVUHDO-UHFFFAOYSA-N 0 0 406.489 3.081 50 0 HGAARN Cc1nn2c(nc(COc3ccccc3NC(=O)c3cccc(F)c3)cc2=O)s1 ZINC000013367798 569412304 /nfs/dbraw/zinc/41/23/04/569412304.db2.gz SXRLCUCCPCFELG-UHFFFAOYSA-N 0 0 410.430 3.430 50 0 HGAARN CCOc1ccc(-n2c(SCCOC(=O)[C@H](C)O)nnc2-c2ccccc2)cc1 ZINC000328589721 569414784 /nfs/dbraw/zinc/41/47/84/569414784.db2.gz GJFOSDPIFFLGJX-HNNXBMFYSA-N 0 0 413.499 3.349 50 0 HGAARN CC(C)Cn1c(N)c(-c2csc(-c3c(F)cccc3Cl)n2)c(=O)n(C)c1=O ZINC000328591254 569415066 /nfs/dbraw/zinc/41/50/66/569415066.db2.gz LHJCFAINZAFULX-UHFFFAOYSA-N 0 0 408.886 3.368 50 0 HGAARN COc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000078714544 569419899 /nfs/dbraw/zinc/41/98/99/569419899.db2.gz JFWGMQWUPASPMQ-OAHLLOKOSA-N 0 0 408.495 3.232 50 0 HGAARN Cc1nsc(N2CCCN(C(=O)c3csc(CCc4ccccc4)n3)CC2)n1 ZINC000078934387 569421736 /nfs/dbraw/zinc/42/17/36/569421736.db2.gz BJEZYQBLIIHJGM-UHFFFAOYSA-N 0 0 413.572 3.441 50 0 HGAARN CN(C[C@H]1CCCN1C(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)OC(C)(C)C ZINC000078935044 569421809 /nfs/dbraw/zinc/42/18/09/569421809.db2.gz QNUMKCKNARZSMU-RHSMWYFYSA-N 0 0 419.547 3.347 50 0 HGAARN CC(=O)N[C@](C)(C(=O)OCc1cnn(Cc2ccc(Br)cc2)c1)C1CC1 ZINC000078988965 569422985 /nfs/dbraw/zinc/42/29/85/569422985.db2.gz IGFXKKQVODNROE-IBGZPJMESA-N 0 0 420.307 3.042 50 0 HGAARN O=C(NCCc1nnc2n1CCC2)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000079019634 569424199 /nfs/dbraw/zinc/42/41/99/569424199.db2.gz INXFHMRDARQXFR-UHFFFAOYSA-N 0 0 412.881 3.216 50 0 HGAARN COc1ccc(CN(C)C(=O)c2nc(NC(C)=O)ccc2Br)cc1F ZINC000079045861 569425209 /nfs/dbraw/zinc/42/52/09/569425209.db2.gz HDSVSDMSTQGPLR-UHFFFAOYSA-N 0 0 410.243 3.222 50 0 HGAARN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C(=O)NCC[S@@](=O)c1ccccc1 ZINC000079055130 569425797 /nfs/dbraw/zinc/42/57/97/569425797.db2.gz LDFIKSFHJFUMHG-AYEUKFJJSA-N 0 0 408.564 3.384 50 0 HGAARN CCc1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000019671285 569427623 /nfs/dbraw/zinc/42/76/23/569427623.db2.gz WNLOIMFPGYHNDM-SFHVURJKSA-N 0 0 411.546 3.411 50 0 HGAARN C[C@@]1(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CCS(=O)(=O)C1 ZINC000079110555 569427997 /nfs/dbraw/zinc/42/79/97/569427997.db2.gz TUZJEZMIFZBXOE-MRXNPFEDSA-N 0 0 405.442 3.004 50 0 HGAARN CCc1cccc2c(=O)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)[nH]c12 ZINC000019793694 569430127 /nfs/dbraw/zinc/43/01/27/569430127.db2.gz SIEHQASIAVRPQS-UHFFFAOYSA-N 0 0 419.525 3.445 50 0 HGAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC(=O)OC)C12CCCCC2 ZINC000079476427 569431516 /nfs/dbraw/zinc/43/15/16/569431516.db2.gz HQQUDAOUDDWITI-FQEVSTJZSA-N 0 0 400.519 3.408 50 0 HGAARN COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 ZINC000079488852 569432393 /nfs/dbraw/zinc/43/23/93/569432393.db2.gz CELWDEFWRZHHTD-HXUWFJFHSA-N 0 0 400.519 3.264 50 0 HGAARN CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C(C)C)c1 ZINC000079502168 569432917 /nfs/dbraw/zinc/43/29/17/569432917.db2.gz YIZKHYYMJXNUOE-QFIPXVFZSA-N 0 0 422.529 3.384 50 0 HGAARN COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1cccc(OC)c1)CO3 ZINC000019882396 569433165 /nfs/dbraw/zinc/43/31/65/569433165.db2.gz UEONMPZHGUTVCE-UHFFFAOYSA-N 0 0 409.438 3.178 50 0 biogenic HGAARN Cn1c(=N)n(CC(=O)c2ccc3c(c2)OCO3)cc1-c1cccc(Br)c1 ZINC000334157603 571044015 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CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cccc(C)c3)C3=C2C(=O)OC3)cc1 ZINC000067288935 571066485 /nfs/dbraw/zinc/06/64/85/571066485.db2.gz OTRNSSDJIFODQM-FQEVSTJZSA-N 0 0 423.494 3.233 50 0 HGAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(N)=O)cc2)nc1 ZINC000067294293 571069663 /nfs/dbraw/zinc/06/96/63/571069663.db2.gz HGCWEKIMGQCNQY-RWEWTDSWSA-N 0 0 414.421 3.425 50 0 HGAARN Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1CCO ZINC000067300257 571073645 /nfs/dbraw/zinc/07/36/45/571073645.db2.gz VSLYUKYODSUCKW-UHFFFAOYSA-N 0 0 415.852 3.185 50 0 HGAARN CSc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)c1 ZINC000067300263 571073698 /nfs/dbraw/zinc/07/36/98/571073698.db2.gz VFISQNNMIVNDAH-UHFFFAOYSA-N 0 0 409.511 3.114 50 0 HGAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038729718 571074688 /nfs/dbraw/zinc/07/46/88/571074688.db2.gz FADNLASWJPWJBA-SJORKVTESA-N 0 0 424.501 3.365 50 0 HGAARN O=C(Cc1csc(NC(=O)C2CCCC2)n1)Nc1ccc(N2CCOCC2)cc1 ZINC000038739448 571075438 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CC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)cc1 ZINC000008600329 571089933 /nfs/dbraw/zinc/08/99/33/571089933.db2.gz ZDZMUPCWMJRPEK-UHFFFAOYSA-N 0 0 417.473 3.009 50 0 HGAARN CCOC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000008601830 571090496 /nfs/dbraw/zinc/09/04/96/571090496.db2.gz BLBIGJGUQJBPPG-UHFFFAOYSA-N 0 0 416.286 3.293 50 0 HGAARN CCCCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC)c2=O)CC1 ZINC000008605697 571092123 /nfs/dbraw/zinc/09/21/23/571092123.db2.gz DJXZDPQRNCBBBC-UHFFFAOYSA-N 0 0 405.564 3.357 50 0 HGAARN C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(Cl)cc3)N2C1=O ZINC000008609134 571093703 /nfs/dbraw/zinc/09/37/03/571093703.db2.gz JKPKNXVSMHDFTH-LBPRGKRZSA-N 0 0 412.902 3.368 50 0 HGAARN COc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OC ZINC000008609294 571093761 /nfs/dbraw/zinc/09/37/61/571093761.db2.gz ZULVBXOXMJZNPI-UHFFFAOYSA-N 0 0 422.503 3.487 50 0 HGAARN Cc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2cc(C)ccc2C)cc1 ZINC000008656883 571099202 /nfs/dbraw/zinc/09/92/02/571099202.db2.gz UKKVWIVXCOBUAJ-UHFFFAOYSA-N 0 0 413.481 3.268 50 0 HGAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nc[nH]n2)nc1C ZINC000008687117 571101660 /nfs/dbraw/zinc/10/16/60/571101660.db2.gz SZVPRRWISANERO-UHFFFAOYSA-N 0 0 417.516 3.072 50 0 HGAARN Nc1c([C@](O)(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccccn1 ZINC000008726386 571108583 /nfs/dbraw/zinc/10/85/83/571108583.db2.gz OPVLVOSIROTGKA-KRWDZBQOSA-N 0 0 405.405 3.317 50 0 HGAARN Fc1cccc(-n2c(SCc3ccc4c(c3)OCO4)nnc2N2CCOCC2)c1 ZINC000008727243 571108740 /nfs/dbraw/zinc/10/87/40/571108740.db2.gz JKWPALVLGBSGEK-UHFFFAOYSA-N 0 0 414.462 3.264 50 0 HGAARN CC(C)[C@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCCO2 ZINC000008734375 571109779 /nfs/dbraw/zinc/10/97/79/571109779.db2.gz QFBQDMPGFCETOE-IBGZPJMESA-N 0 0 413.503 3.076 50 0 HGAARN C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1Cl ZINC000008760386 571114062 /nfs/dbraw/zinc/11/40/62/571114062.db2.gz HCHQPDLVYBXROM-DZGCQCFKSA-N 0 0 418.852 3.398 50 0 HGAARN CCCCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000008765065 571115393 /nfs/dbraw/zinc/11/53/93/571115393.db2.gz UBOSVDIGJWJMDB-UZLBHIALSA-N 0 0 412.534 3.496 50 0 biogenic HGAARN O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008777414 571118118 /nfs/dbraw/zinc/11/81/18/571118118.db2.gz JQGJHPXCCFKHJI-HNNXBMFYSA-N 0 0 404.495 3.412 50 0 HGAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nccn1C ZINC000008778703 571118532 /nfs/dbraw/zinc/11/85/32/571118532.db2.gz ZKTUJYIMTQQFFG-UHFFFAOYSA-N 0 0 422.576 3.104 50 0 HGAARN COc1ccc(C(=O)N(c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000008788999 571119728 /nfs/dbraw/zinc/11/97/28/571119728.db2.gz IUZJULZZQUZIKQ-INIZCTEOSA-N 0 0 422.300 3.415 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)cc1 ZINC000008823273 571121742 /nfs/dbraw/zinc/12/17/42/571121742.db2.gz NDLNVLGPELMFSR-UHFFFAOYSA-N 0 0 417.472 3.073 50 0 HGAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(C)c1 ZINC000008852966 571127392 /nfs/dbraw/zinc/12/73/92/571127392.db2.gz GBXLLDBUIIUJSE-IRXDYDNUSA-N 0 0 402.516 3.354 50 0 HGAARN COc1ccc(-n2nnnc2SCc2cc3c(cc2Br)OCO3)cc1 ZINC000008860718 571128369 /nfs/dbraw/zinc/12/83/69/571128369.db2.gz VXWJLIFMSTZVGB-UHFFFAOYSA-N 0 0 421.276 3.454 50 0 HGAARN Cc1cc(C)cc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 ZINC000008861861 571128747 /nfs/dbraw/zinc/12/87/47/571128747.db2.gz MEQRXFFRGYFXRT-OAHLLOKOSA-N 0 0 422.514 3.135 50 0 HGAARN COc1ccc(CCNC(=O)c2c(N)oc3ccc(Br)cc3c2=O)cc1 ZINC000008871252 571130650 /nfs/dbraw/zinc/13/06/50/571130650.db2.gz TUFIZOHJLLDTBQ-UHFFFAOYSA-N 0 0 417.259 3.119 50 0 HGAARN Cc1cc(CN2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)no1 ZINC000039519623 571132429 /nfs/dbraw/zinc/13/24/29/571132429.db2.gz OEXQZGQSCQPNOQ-UHFFFAOYSA-N 0 0 416.831 3.412 50 0 HGAARN Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)Nc2cccnc2Cl)c1Cl ZINC000039561004 571133181 /nfs/dbraw/zinc/13/31/81/571133181.db2.gz MJYQIEOAAOEVGF-UHFFFAOYSA-N 0 0 410.044 3.468 50 0 HGAARN CN1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)[C@@H](c2ccccc2)C1 ZINC000039983367 571136189 /nfs/dbraw/zinc/13/61/89/571136189.db2.gz WGCJKTBILXGTKH-MRXNPFEDSA-N 0 0 413.827 3.036 50 0 HGAARN C[C@@H](OC(=O)c1ccc(F)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000039995739 571137292 /nfs/dbraw/zinc/13/72/92/571137292.db2.gz KGWYDJBSEXPHNY-MRVPVSSYSA-N 0 0 410.854 3.312 50 0 HGAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)OCc1noc(-c3cccs3)n1)C2=O ZINC000040012677 571138075 /nfs/dbraw/zinc/13/80/75/571138075.db2.gz NIMSNODUSCCNDV-UHFFFAOYSA-N 0 0 411.439 3.226 50 0 HGAARN CCc1ccccc1N1C[C@H](C(=O)NCc2ccccc2Cn2ccnc2)CC1=O ZINC000040023572 571139487 /nfs/dbraw/zinc/13/94/87/571139487.db2.gz QSYNQPIPKOXPKZ-OAQYLSRUSA-N 0 0 402.498 3.163 50 0 HGAARN O=C(CCn1nnc(-c2ccc(Br)cc2)n1)NCc1ccccc1Cl ZINC000040025055 571140256 /nfs/dbraw/zinc/14/02/56/571140256.db2.gz BVIMISFZDCHCDM-UHFFFAOYSA-N 0 0 420.698 3.463 50 0 HGAARN O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000040040137 571142181 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CC(=O)N[C@H](C)c1ccc(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1 ZINC000032789470 519694575 /nfs/dbraw/zinc/69/45/75/519694575.db2.gz ZJCPXEPRDCSGAO-OAHLLOKOSA-N 0 0 411.527 3.490 50 0 HGAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000032872058 519706602 /nfs/dbraw/zinc/70/66/02/519706602.db2.gz XCKDDSOIFCWNMY-INIZCTEOSA-N 0 0 419.485 3.500 50 0 HGAARN CC(C)NC(=O)N1CCC[C@@H](C(=O)Oc2ccc(I)cc2)C1 ZINC000042227680 519710506 /nfs/dbraw/zinc/71/05/06/519710506.db2.gz OEGJBPDCLUNCMX-GFCCVEGCSA-N 0 0 416.259 3.027 50 0 HGAARN CC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000032901155 519717076 /nfs/dbraw/zinc/71/70/76/519717076.db2.gz NTCFCRLNSLDGFV-OAHLLOKOSA-N 0 0 419.403 3.333 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)CSCc2nc3sc(C)cc3c(=O)[nH]2)c1 ZINC000044920153 519742032 /nfs/dbraw/zinc/74/20/32/519742032.db2.gz LCHAAOWHNUKFEG-UHFFFAOYSA-N 0 0 402.501 3.123 50 0 HGAARN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000045059914 519787287 /nfs/dbraw/zinc/78/72/87/519787287.db2.gz QELIEPACLOOBPA-UHFFFAOYSA-N 0 0 415.511 3.309 50 0 HGAARN CC(C)c1ccc([C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C(C)C)cc1 ZINC000032759195 519839339 /nfs/dbraw/zinc/83/93/39/519839339.db2.gz HZRRPQBNAWKUIO-IBGZPJMESA-N 0 0 415.515 3.015 50 0 HGAARN CCCNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc32)CC1 ZINC000020564279 519867450 /nfs/dbraw/zinc/86/74/50/519867450.db2.gz RULBOWJISSWGPE-UHFFFAOYSA-N 0 0 406.534 3.483 50 0 HGAARN CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)nn21 ZINC000032104069 519893386 /nfs/dbraw/zinc/89/33/86/519893386.db2.gz VEAFXQBWMINROJ-MRXNPFEDSA-N 0 0 412.925 3.434 50 0 HGAARN CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc(OCC)cc2)c1 ZINC000032820994 520056657 /nfs/dbraw/zinc/05/66/57/520056657.db2.gz WURJBCBDVQYCJM-FQEVSTJZSA-N 0 0 402.516 3.361 50 0 HGAARN CCN(CC(=O)N(C)C)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000032921846 520301280 /nfs/dbraw/zinc/30/12/80/520301280.db2.gz KLONIUMEUPVGGN-UHFFFAOYSA-N 0 0 421.497 3.469 50 0 HGAARN CCOC(=O)/C=C/c1ccc(NC(=O)C2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000032464903 520401398 /nfs/dbraw/zinc/40/13/98/520401398.db2.gz WWKVWJLFHFUBLO-VMPITWQZSA-N 0 0 407.470 3.149 50 0 HGAARN CCOC(=O)C1=C(NC(=O)c2cn3c(cccc3C)n2)Nc2ccccc2N=C1C ZINC000044187922 520506338 /nfs/dbraw/zinc/50/63/38/520506338.db2.gz BFFVMPPUJBZGGZ-UHFFFAOYSA-N 0 0 403.442 3.365 50 0 HGAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000032784613 520525457 /nfs/dbraw/zinc/52/54/57/520525457.db2.gz FAKQEBNSBMJVJU-INIZCTEOSA-N 0 0 423.560 3.270 50 0 HGAARN CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1OCC ZINC000040148985 520896619 /nfs/dbraw/zinc/89/66/19/520896619.db2.gz MZAULLSDZLYBAW-OAHLLOKOSA-N 0 0 403.504 3.431 50 0 HGAARN CCOc1ccc(C(=O)NCCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000032809974 520908205 /nfs/dbraw/zinc/90/82/05/520908205.db2.gz DVWUFENRPMGDFV-UHFFFAOYSA-N 0 0 422.451 3.051 50 0 HGAARN CCN(CC)c1nc2ncn(CC(=O)Nc3ccc(C)cc3Cl)c(=O)c2s1 ZINC000045970338 520930937 /nfs/dbraw/zinc/93/09/37/520930937.db2.gz CHQXBXOICNFWGP-UHFFFAOYSA-N 0 0 405.911 3.300 50 0 HGAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccn3)nc3cc(F)ccc32)CC1 ZINC000032105762 520949609 /nfs/dbraw/zinc/94/96/09/520949609.db2.gz BJPWTLDMVBTXBT-UHFFFAOYSA-N 0 0 408.433 3.350 50 0 HGAARN CCOc1ccc(CN(CC)S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1OC ZINC000032770689 520964806 /nfs/dbraw/zinc/96/48/06/520964806.db2.gz QUWZWSSPZUMLMI-UHFFFAOYSA-N 0 0 421.515 3.400 50 0 HGAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ncccc1C)C(F)(F)F ZINC000019938724 521173795 /nfs/dbraw/zinc/17/37/95/521173795.db2.gz NGSKFKOAXUDVKO-SFHVURJKSA-N 0 0 411.380 3.062 50 0 biogenic HGAARN CCCC[C@H](CC)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000032825710 521178728 /nfs/dbraw/zinc/17/87/28/521178728.db2.gz QTIRWUBCXKQFKU-NSHDSACASA-N 0 0 419.341 3.275 50 0 HGAARN CCC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O ZINC000020572724 521193461 /nfs/dbraw/zinc/19/34/61/521193461.db2.gz DKDQLCVKRZTGJU-FQEVSTJZSA-N 0 0 403.404 3.303 50 0 HGAARN CCOc1ccc([C@@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 ZINC000030282564 521246788 /nfs/dbraw/zinc/24/67/88/521246788.db2.gz BCGQXYCXDBWVFJ-SFHVURJKSA-N 0 0 413.499 3.232 50 0 HGAARN CCOC(=O)c1ccoc1COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000032910453 521563044 /nfs/dbraw/zinc/56/30/44/521563044.db2.gz BBCCTCKYISUYKW-UHFFFAOYSA-N 0 0 410.426 3.250 50 0 HGAARN CCC(CC)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000032916478 521619397 /nfs/dbraw/zinc/61/93/97/521619397.db2.gz CJLXADXBSVUVIK-FQEVSTJZSA-N 0 0 424.588 3.393 50 0 HGAARN CCOCCC(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c21 ZINC000072409195 521678293 /nfs/dbraw/zinc/67/82/93/521678293.db2.gz RBPYVPXRJRZINI-UHFFFAOYSA-N 0 0 412.421 3.486 50 0 HGAARN CCCN1C(=O)[C@](NC(=O)c2ccccc2OC)(C(F)(F)F)N=C1c1ccccc1 ZINC000020589645 521701865 /nfs/dbraw/zinc/70/18/65/521701865.db2.gz MIPAXJPHLCDLLA-FQEVSTJZSA-N 0 0 419.403 3.383 50 0 HGAARN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1cccc(C(C)=O)c1 ZINC000040308985 521703481 /nfs/dbraw/zinc/70/34/81/521703481.db2.gz CATAVFBCRUDXMB-HSZRJFAPSA-N 0 0 405.454 3.217 50 0 biogenic HGAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1 ZINC000032760580 521811162 /nfs/dbraw/zinc/81/11/62/521811162.db2.gz UNFLDAMATOWGDM-UHFFFAOYSA-N 0 0 402.447 3.169 50 0 HGAARN COC(=O)c1cc(NC(=O)c2cn(-c3ccccc3Br)nn2)ccc1F ZINC000031907248 521890316 /nfs/dbraw/zinc/89/03/16/521890316.db2.gz UJXQMOQEWFURIA-UHFFFAOYSA-N 0 0 419.210 3.208 50 0 HGAARN COC(=O)c1ccc(C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000044005577 521957185 /nfs/dbraw/zinc/95/71/85/521957185.db2.gz JIGIXCZOBSSETA-UHFFFAOYSA-N 0 0 413.449 3.286 50 0 HGAARN COCCn1cc(C(=O)NCCn2ccc3cc(OC)ccc32)c2ccccc2c1=O ZINC000072401220 522082440 /nfs/dbraw/zinc/08/24/40/522082440.db2.gz LZQPYAYMPQJUIJ-UHFFFAOYSA-N 0 0 419.481 3.041 50 0 HGAARN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000032808807 522251634 /nfs/dbraw/zinc/25/16/34/522251634.db2.gz ATDNMTPRRPSJGC-CYBMUJFWSA-N 0 0 417.462 3.146 50 0 HGAARN COC(=O)c1oc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1C ZINC000030682458 522405682 /nfs/dbraw/zinc/40/56/82/522405682.db2.gz VOWFOXDGDKVYKN-FQEVSTJZSA-N 0 0 421.449 3.459 50 0 HGAARN COc1cc(CS(=O)(=O)[C@H](C)C(=O)N(C)C2CCCCC2)ccc1OC(F)F ZINC000032929814 522500691 /nfs/dbraw/zinc/50/06/91/522500691.db2.gz JQISUYRFFNXVHQ-CYBMUJFWSA-N 0 0 419.490 3.391 50 0 HGAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCc2ccc(Cl)cc2)n1 ZINC000044902333 522597935 /nfs/dbraw/zinc/59/79/35/522597935.db2.gz HTKYVZHSTRYSNX-UHFFFAOYSA-N 0 0 401.825 3.028 50 0 HGAARN COc1cc(NC(=O)CCC(=O)N2CCCCCC2)cc2sc(NC(C)=O)nc21 ZINC000032961294 522653069 /nfs/dbraw/zinc/65/30/69/522653069.db2.gz UAXGGRCZSYZJSK-UHFFFAOYSA-N 0 0 418.519 3.385 50 0 HGAARN CC[C@H](Oc1ccccc1F)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020568004 522899666 /nfs/dbraw/zinc/89/96/66/522899666.db2.gz JOYDRKICNAAJMF-SFHVURJKSA-N 0 0 400.450 3.056 50 0 HGAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000032845352 523085144 /nfs/dbraw/zinc/08/51/44/523085144.db2.gz FGSVGLZKBVAHOD-GOSISDBHSA-N 0 0 424.884 3.462 50 0 HGAARN COC(=O)CCNC(=O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000041097958 523101323 /nfs/dbraw/zinc/10/13/23/523101323.db2.gz GFGAXJMGYIEWHZ-UHFFFAOYSA-N 0 0 400.287 3.369 50 0 HGAARN COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)c2ccccc2)cc1 ZINC000032096312 523169618 /nfs/dbraw/zinc/16/96/18/523169618.db2.gz GWKSRYKYCLURIN-UHFFFAOYSA-N 0 0 406.463 3.320 50 0 HGAARN CCn1c(CN2CCCCCC2=O)nnc1SCc1nc(N)c2ccccc2n1 ZINC000032765452 523188064 /nfs/dbraw/zinc/18/80/64/523188064.db2.gz VBBWLRAYUDVCJT-UHFFFAOYSA-N 0 0 411.535 3.018 50 0 HGAARN COC(=O)C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(C)cc1 ZINC000032821111 523271593 /nfs/dbraw/zinc/27/15/93/523271593.db2.gz FVLLUONCBOFFGK-GOSISDBHSA-N 0 0 414.527 3.329 50 0 HGAARN CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000032755526 523304419 /nfs/dbraw/zinc/30/44/19/523304419.db2.gz YDFOUUJZTQCBOF-UHFFFAOYSA-N 0 0 408.328 3.218 50 0 HGAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2nc(C)no2)cc1OC ZINC000032895115 523311553 /nfs/dbraw/zinc/31/15/53/523311553.db2.gz XKUUGAOOWORMLO-UHFFFAOYSA-N 0 0 410.455 3.387 50 0 HGAARN CCc1c(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000032786763 523683021 /nfs/dbraw/zinc/68/30/21/523683021.db2.gz SSYINTQFYKIRQI-UHFFFAOYSA-N 0 0 416.485 3.431 50 0 HGAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H](O)c2ccccc2)C12CCCC2 ZINC000032087827 523810987 /nfs/dbraw/zinc/81/09/87/523810987.db2.gz LQJIFALMZVEHTA-FCHUYYIVSA-N 0 0 422.525 3.035 50 0 HGAARN CN1CCN(C(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000020597969 523876544 /nfs/dbraw/zinc/87/65/44/523876544.db2.gz UJELAIOBYZKJNH-UHFFFAOYSA-N 0 0 406.530 3.378 50 0 HGAARN COc1ccc(CCNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1OC ZINC000032824552 523969180 /nfs/dbraw/zinc/96/91/80/523969180.db2.gz IZEKTTQUGGOHAA-QZTJIDSGSA-N 0 0 412.530 3.286 50 0 HGAARN COc1ccc(CCn2ccc3c(nnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1 ZINC000040391404 523985773 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O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000004603440 558846618 /nfs/dbraw/zinc/84/66/18/558846618.db2.gz JBZAZEXGPGQCLM-UHFFFAOYSA-N 0 0 400.544 3.323 50 0 HGAARN O=C(Cn1cnc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc(Br)cc1 ZINC000033026349 558847713 /nfs/dbraw/zinc/84/77/13/558847713.db2.gz FVVYCMXDWRVYIX-UHFFFAOYSA-N 0 0 418.226 3.071 50 0 HGAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000049550920 558850156 /nfs/dbraw/zinc/85/01/56/558850156.db2.gz ZUUHFDADUHOCEF-UHFFFAOYSA-N 0 0 405.788 3.489 50 0 HGAARN COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC000033028563 558852398 /nfs/dbraw/zinc/85/23/98/558852398.db2.gz YNPAQOOEXPVZTB-LLVKDONJSA-N 0 0 400.859 3.045 50 0 HGAARN COc1ccc(-c2n[nH]cc2CN(C)Cc2nc(-c3ccncc3)no2)c(OC)c1 ZINC000019228522 558852990 /nfs/dbraw/zinc/85/29/90/558852990.db2.gz RWQRXEOWBCJSSR-UHFFFAOYSA-N 0 0 406.446 3.171 50 0 HGAARN CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)CC1 ZINC000013704891 558857402 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HGAARN CCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c32)CC1 ZINC000095949008 568665637 /nfs/dbraw/zinc/66/56/37/568665637.db2.gz DKKSBLFOBZNTFM-UHFFFAOYSA-N 0 0 422.498 3.235 50 0 HGAARN CCn1cnnc1-c1cccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000095948870 568665709 /nfs/dbraw/zinc/66/57/09/568665709.db2.gz BRTLJOKNILZDCL-YWZLYKJASA-N 0 0 402.520 3.102 50 0 HGAARN COC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2)c1N ZINC000021115634 568668777 /nfs/dbraw/zinc/66/87/77/568668777.db2.gz FKGVKYLSROJAAK-UHFFFAOYSA-N 0 0 400.822 3.155 50 0 HGAARN COC(=O)CCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC ZINC000225744639 568670532 /nfs/dbraw/zinc/67/05/32/568670532.db2.gz CKCBQCCFNPEHFJ-KRWDZBQOSA-N 0 0 420.506 3.159 50 0 HGAARN C[C@H](NC(=O)CN1CCOC[C@@H]1CC(=O)c1ccccc1)c1ccccc1Cl ZINC000095975609 568672816 /nfs/dbraw/zinc/67/28/16/568672816.db2.gz ZYCRYBODJBAFDM-WMZOPIPTSA-N 0 0 400.906 3.491 50 0 HGAARN Clc1cc(N2CCC(c3cc[nH]n3)CC2)nnc1N1CCC(c2cc[nH]n2)CC1 ZINC000095976206 568672929 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CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Cc2ccccc2Br)C1 ZINC000095998634 568679854 /nfs/dbraw/zinc/67/98/54/568679854.db2.gz OSXIGSRYHTWEGT-AWEZNQCLSA-N 0 0 405.296 3.079 50 0 HGAARN COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC000095998737 568679858 /nfs/dbraw/zinc/67/98/58/568679858.db2.gz TWRHKKJTEDEAFB-INIZCTEOSA-N 0 0 401.511 3.014 50 0 HGAARN COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ncc(-c3ccccc3C)o2)C1 ZINC000096000129 568680941 /nfs/dbraw/zinc/68/09/41/568680941.db2.gz IVYGFYSDJZVCNP-MRXNPFEDSA-N 0 0 409.490 3.338 50 0 HGAARN CC(=O)NCCN(C(=O)[C@@H](C)SCc1ccccc1)[C@H](C)C(=O)OC(C)(C)C ZINC000096004662 568682214 /nfs/dbraw/zinc/68/22/14/568682214.db2.gz CUQHOPUMWHUCOH-HZPDHXFCSA-N 0 0 408.564 3.003 50 0 HGAARN CCn1c(SCC(=O)N[C@@H]2CCCC3(C2)OCCO3)nnc1-c1ccccc1C ZINC000096008232 568683439 /nfs/dbraw/zinc/68/34/39/568683439.db2.gz ZHSGUKLDVHGXPR-MRXNPFEDSA-N 0 0 416.547 3.167 50 0 HGAARN Cn1cnc(-c2ccc(NC(=O)c3cc(=O)[nH]c4ccc(Br)cc43)cc2)n1 ZINC000096011113 568683913 /nfs/dbraw/zinc/68/39/13/568683913.db2.gz DQEIBUZLBWAKJN-UHFFFAOYSA-N 0 0 424.258 3.338 50 0 HGAARN O=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000096024279 568686029 /nfs/dbraw/zinc/68/60/29/568686029.db2.gz WZXWTRUPQMIEDA-UHFFFAOYSA-N 0 0 408.336 3.266 50 0 HGAARN O=C(Nc1ccccc1Cl)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1cccs1)C2 ZINC000096095761 568688556 /nfs/dbraw/zinc/68/85/56/568688556.db2.gz PDIPONVMQIBTKM-BYCMXARLSA-N 0 0 411.936 3.375 50 0 HGAARN O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096943 568689396 /nfs/dbraw/zinc/68/93/96/568689396.db2.gz OPAYCECSNXXEKS-UHFFFAOYSA-N 0 0 405.248 3.256 50 0 HGAARN CSc1ccc(CNC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1 ZINC000021360743 568690145 /nfs/dbraw/zinc/69/01/45/568690145.db2.gz NHVCPYVVCQIXPE-UHFFFAOYSA-N 0 0 400.548 3.438 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1 ZINC000096104091 568692092 /nfs/dbraw/zinc/69/20/92/568692092.db2.gz LFDNRJUDFYTVAT-UHFFFAOYSA-N 0 0 416.547 3.056 50 0 HGAARN O=C(c1cccs1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O ZINC000096105318 568692565 /nfs/dbraw/zinc/69/25/65/568692565.db2.gz XGFAGVIKLDUSSK-UHFFFAOYSA-N 0 0 403.891 3.128 50 0 HGAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4ccccc4F)CC3)C2=O)c1 ZINC000096105382 568692765 /nfs/dbraw/zinc/69/27/65/568692765.db2.gz XOXTWSFMLIISKP-UHFFFAOYSA-N 0 0 409.461 3.169 50 0 HGAARN O=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000096105608 568693024 /nfs/dbraw/zinc/69/30/24/568693024.db2.gz VHVIUQUHJNAIME-UHFFFAOYSA-N 0 0 420.444 3.034 50 0 HGAARN Cc1ccsc1C(=O)N1CCC2(CC1)NC(=O)N(Cc1cc(C)ccc1C)C2=O ZINC000096105583 568693110 /nfs/dbraw/zinc/69/31/10/568693110.db2.gz FESJZJBYPHDZJF-UHFFFAOYSA-N 0 0 411.527 3.400 50 0 HGAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)Cc4ccc(F)cc4)CC3)C2=O)c1 ZINC000096105590 568693145 /nfs/dbraw/zinc/69/31/45/568693145.db2.gz LDYBASPROCCZNT-UHFFFAOYSA-N 0 0 423.488 3.098 50 0 HGAARN Cc1cc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(O)cc2)no1 ZINC000096113804 568693451 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3.354 50 0 HGAARN CSCC[C@H](NC(=O)c1ccc(Nc2ncccn2)cc1)c1nnc2ccccn21 ZINC000096117738 568697227 /nfs/dbraw/zinc/69/72/27/568697227.db2.gz SBFUGVIRSWATLU-KRWDZBQOSA-N 0 0 419.514 3.487 50 0 HGAARN COc1cc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc(OC)c1 ZINC000096121410 568699439 /nfs/dbraw/zinc/69/94/39/568699439.db2.gz KFBUKFUCMNQZEL-UHFFFAOYSA-N 0 0 400.483 3.194 50 0 HGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cc1 ZINC000096121827 568700087 /nfs/dbraw/zinc/70/00/87/568700087.db2.gz JGOREZLJEXIYQA-UHFFFAOYSA-N 0 0 416.455 3.022 50 0 HGAARN COC(=O)C[C@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1cc2ccccc2[nH]c1=O ZINC000096230735 568706785 /nfs/dbraw/zinc/70/67/85/568706785.db2.gz VEBVBTKLHYKGGQ-INIZCTEOSA-N 0 0 403.438 3.243 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cn1nc2c(cc1=O)CCCCC2 ZINC000096231455 568707309 /nfs/dbraw/zinc/70/73/09/568707309.db2.gz HZABAWMWYDMPQY-NRFANRHFSA-N 0 0 420.513 3.196 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000096232736 568708298 /nfs/dbraw/zinc/70/82/98/568708298.db2.gz ONSRFDASEIFLEG-LJQANCHMSA-N 0 0 402.454 3.231 50 0 HGAARN C[C@@H](C(=O)NCCCCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O ZINC000096232824 568708395 /nfs/dbraw/zinc/70/83/95/568708395.db2.gz ZAUHWCMSARVNKA-KRWDZBQOSA-N 0 0 404.514 3.447 50 0 HGAARN Cc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(F)cc2)C3=O)cc1 ZINC000021522833 568708650 /nfs/dbraw/zinc/70/86/50/568708650.db2.gz CCQSXJMOKMALLO-UHFFFAOYSA-N 0 0 406.461 3.307 50 0 HGAARN CCOc1ccc(-c2nnc(SCc3cc(=O)n4nc(C)sc4n3)o2)cc1 ZINC000021524846 568709164 /nfs/dbraw/zinc/70/91/64/568709164.db2.gz YJWLKGHXCNCPPI-UHFFFAOYSA-N 0 0 401.473 3.200 50 0 HGAARN O=C(NCCC1=CCCCC1)c1ccc(CN2CC(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000021528276 568709880 /nfs/dbraw/zinc/70/98/80/568709880.db2.gz ZWSYBCLWAHXKEE-NRFANRHFSA-N 0 0 409.530 3.030 50 0 HGAARN Cc1ccc([C@@H](CC(=O)NCCCN2CCCC2=O)N2Cc3ccccc3C2=O)cc1 ZINC000021530707 568710911 /nfs/dbraw/zinc/71/09/11/568710911.db2.gz PEXATIWINDVHDG-JOCHJYFZSA-N 0 0 419.525 3.211 50 0 HGAARN Cc1ccc([C@H](CC(=O)NCCCN2CCCC2=O)N2Cc3ccccc3C2=O)cc1 ZINC000021530709 568710925 /nfs/dbraw/zinc/71/09/25/568710925.db2.gz PEXATIWINDVHDG-QFIPXVFZSA-N 0 0 419.525 3.211 50 0 HGAARN CCc1ccccc1NC(=O)CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000021531369 568711172 /nfs/dbraw/zinc/71/11/72/568711172.db2.gz HDUJKSMBMSWAKA-UHFFFAOYSA-N 0 0 421.950 3.294 50 0 HGAARN O=C(N/C(=C/c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000000850961 568712130 /nfs/dbraw/zinc/71/21/30/568712130.db2.gz XNMMJHNSNBBPLT-NBVRZTHBSA-N 0 0 415.287 3.079 50 0 HGAARN CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)cc1 ZINC000021537364 568712428 /nfs/dbraw/zinc/71/24/28/568712428.db2.gz PVGJQHGWPJRWDJ-UHFFFAOYSA-N 0 0 405.483 3.378 50 0 HGAARN Cc1ccc(CNC(=O)CCc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 ZINC000021540473 568713761 /nfs/dbraw/zinc/71/37/61/568713761.db2.gz RUAPLTIDWQTRBB-UHFFFAOYSA-N 0 0 415.497 3.054 50 0 HGAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000000862023 568714469 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Cc1cc2ccccn2c1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003204280 568845974 /nfs/dbraw/zinc/84/59/74/568845974.db2.gz ANUDPCQDUUNDSR-UHFFFAOYSA-N 0 0 418.902 3.153 50 0 HGAARN CCCCn1c2nc(CN3C[C@H]4CCCC[C@]43c3ccccc3)n(C)c2c(=O)[nH]c1=O ZINC000230111439 568846854 /nfs/dbraw/zinc/84/68/54/568846854.db2.gz KSGBSVWXXJAPHS-KOSHJBKYSA-N 0 0 421.545 3.125 50 0 HGAARN COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)nc1Nc1ccc(F)c(C)c1 ZINC000057507644 568847186 /nfs/dbraw/zinc/84/71/86/568847186.db2.gz VGPCFSYUKDJCPX-UHFFFAOYSA-N 0 0 424.432 3.168 50 0 HGAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000029905449 568848860 /nfs/dbraw/zinc/84/88/60/568848860.db2.gz ARJNQAXVCIWLAU-UHFFFAOYSA-N 0 0 422.420 3.201 50 0 HGAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)NCc1ccccc1Br ZINC000057520029 568849234 /nfs/dbraw/zinc/84/92/34/568849234.db2.gz IYOLBDAWLWMHAR-UHFFFAOYSA-N 0 0 406.667 3.129 50 0 HGAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000003048433 568849601 /nfs/dbraw/zinc/84/96/01/568849601.db2.gz MNMHKYBPBABQKA-LJQANCHMSA-N 0 0 416.543 3.111 50 0 HGAARN COc1ccccc1N1CCN(C(=O)Cn2c(=S)[nH]nc2-c2ccc(C)cc2)CC1 ZINC000012545264 568850258 /nfs/dbraw/zinc/85/02/58/568850258.db2.gz FWMRPFLTADXJPZ-UHFFFAOYSA-N 0 0 423.542 3.274 50 0 HGAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(C)C)c2=O)cc1 ZINC000057525808 568850559 /nfs/dbraw/zinc/85/05/59/568850559.db2.gz VCVCYVRPJCPRCJ-UHFFFAOYSA-N 0 0 409.486 3.247 50 0 HGAARN COC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)nc2-c2cccc(Cl)c2)cc1 ZINC000057526928 568850702 /nfs/dbraw/zinc/85/07/02/568850702.db2.gz SJGIDFQVJWJNNO-UHFFFAOYSA-N 0 0 411.845 3.297 50 0 HGAARN NC(=O)CCn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1cccs1 ZINC000012548025 568851224 /nfs/dbraw/zinc/85/12/24/568851224.db2.gz BCBXGENWTLLFCJ-UHFFFAOYSA-N 0 0 418.935 3.475 50 0 HGAARN CCn1c2ccccc2n(CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1=O ZINC000012547366 568851315 /nfs/dbraw/zinc/85/13/15/568851315.db2.gz AJDYKDIXIVINQA-KRWDZBQOSA-N 0 0 403.486 3.276 50 0 HGAARN Cc1cc2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)n2c2ccccc12 ZINC000003293300 568852674 /nfs/dbraw/zinc/85/26/74/568852674.db2.gz MOMRJQBJZPJYFI-UHFFFAOYSA-N 0 0 404.455 3.091 50 0 HGAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1)c1ccc(F)cc1 ZINC000012551951 568853858 /nfs/dbraw/zinc/85/38/58/568853858.db2.gz SQGIJKSUPFIKHO-QFIPXVFZSA-N 0 0 416.456 3.360 50 0 HGAARN Cc1nc2ccccc2c(=O)n1CCC(=O)NCCOc1ccc2ccccc2c1 ZINC000029962617 568854041 /nfs/dbraw/zinc/85/40/41/568854041.db2.gz ZBKHNAPWMPPACB-UHFFFAOYSA-N 0 0 401.466 3.443 50 0 HGAARN CCOc1cc(C(=O)Nn2cnc3ccccc3c2=O)ccc1OCc1ccncc1 ZINC000012552633 568854360 /nfs/dbraw/zinc/85/43/60/568854360.db2.gz XPPUYSFRQCKVPI-UHFFFAOYSA-N 0 0 416.437 3.153 50 0 HGAARN Cc1cccc(-n2c(SC[C@H]3COc4ccccc4O3)nnc2N2CCOCC2)c1 ZINC000012554112 568854975 /nfs/dbraw/zinc/85/49/75/568854975.db2.gz BAPQVDUFIZPXPC-GOSISDBHSA-N 0 0 424.526 3.344 50 0 HGAARN COc1ccccc1NC(=O)c1ccc(N[C@H](C(=O)NC(N)=O)c2ccccc2)cc1 ZINC000012554271 568855092 /nfs/dbraw/zinc/85/50/92/568855092.db2.gz MPRCQKHDWHXDQY-FQEVSTJZSA-N 0 0 418.453 3.296 50 0 HGAARN CC1(C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)[C@H]2CCO[C@H]21 ZINC000230229550 568855962 /nfs/dbraw/zinc/85/59/62/568855962.db2.gz AQOZCTAHLRLDQE-GUDVDZBRSA-N 0 0 415.515 3.422 50 0 HGAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2N)cc1 ZINC000003406125 568858047 /nfs/dbraw/zinc/85/80/47/568858047.db2.gz MQPNXDWMXOUBSF-UHFFFAOYSA-N 0 0 407.858 3.191 50 0 HGAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cc(C)on1)CCCC3 ZINC000003410975 568858475 /nfs/dbraw/zinc/85/84/75/568858475.db2.gz XLWMXDHWHALMNI-UHFFFAOYSA-N 0 0 404.517 3.384 50 0 HGAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000003419755 568858685 /nfs/dbraw/zinc/85/86/85/568858685.db2.gz CBXWILHNQPIUNV-UHFFFAOYSA-N 0 0 402.882 3.198 50 0 HGAARN CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cc1 ZINC000003420167 568858705 /nfs/dbraw/zinc/85/87/05/568858705.db2.gz RBXMMROYMTYNCQ-AWEZNQCLSA-N 0 0 406.438 3.170 50 0 HGAARN O=C(COc1c(I)cc(Cl)c2cccnc21)NCC1CC1 ZINC000012562468 568858880 /nfs/dbraw/zinc/85/88/80/568858880.db2.gz ZMFQPRYAOHXKAD-UHFFFAOYSA-N 0 0 416.646 3.398 50 0 HGAARN CC(C)c1ccc(N[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000057739330 568859347 /nfs/dbraw/zinc/85/93/47/568859347.db2.gz WXUYTIJOQYYMQS-SFHVURJKSA-N 0 0 415.559 3.144 50 0 HGAARN CCc1c(C)sc2nc(SCC(=O)Nc3cc(C)on3)n(CCOC)c(=O)c12 ZINC000003447074 568859893 /nfs/dbraw/zinc/85/98/93/568859893.db2.gz UAOMAXKSCZKJSJ-UHFFFAOYSA-N 0 0 422.532 3.002 50 0 HGAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000003190308 568860602 /nfs/dbraw/zinc/86/06/02/568860602.db2.gz SWEJOQYAAPIFHD-OAQYLSRUSA-N 0 0 400.544 3.273 50 0 HGAARN CC(C)c1cc(C(=O)O[C@H](C)C(=O)Nc2ncnc3[nH]cnc32)c(O)c(C(C)C)c1 ZINC000012567321 568860715 /nfs/dbraw/zinc/86/07/15/568860715.db2.gz UPDQMPDTZUCXJY-GFCCVEGCSA-N 0 0 411.462 3.489 50 0 HGAARN C[C@@H](NC(=O)Nc1ccccc1N1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000057848405 568863389 /nfs/dbraw/zinc/86/33/89/568863389.db2.gz LFPWAQSVVAGDPY-OAHLLOKOSA-N 0 0 402.520 3.207 50 0 HGAARN Cc1cccc(CS[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000012582287 568864968 /nfs/dbraw/zinc/86/49/68/568864968.db2.gz KMXPGSOWZVFJRT-GOSISDBHSA-N 0 0 418.584 3.150 50 0 HGAARN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000012584039 568865667 /nfs/dbraw/zinc/86/56/67/568865667.db2.gz BQBLZUDSKSCYMK-IRXDYDNUSA-N 0 0 402.516 3.354 50 0 HGAARN Cc1ccccc1-n1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2ccccc2c1=O ZINC000003237757 568865803 /nfs/dbraw/zinc/86/58/03/568865803.db2.gz UTBWMXIKTCZLNL-IRXDYDNUSA-N 0 0 423.538 3.422 50 0 HGAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000003240186 568866198 /nfs/dbraw/zinc/86/61/98/568866198.db2.gz OWQUXOXDZGERBL-BTYIYWSLSA-N 0 0 412.461 3.101 50 0 HGAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(OCc2ccccc2)cc1 ZINC000015269997 568867171 /nfs/dbraw/zinc/86/71/71/568867171.db2.gz VZGFTGYBYXVBFE-UHFFFAOYSA-N 0 0 404.422 3.363 50 0 HGAARN COc1ccc(C(=O)[C@H](C)OC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000019161386 568867177 /nfs/dbraw/zinc/86/71/77/568867177.db2.gz HSGVISKGPDRYHH-LBPRGKRZSA-N 0 0 403.818 3.461 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000012603203 568870419 /nfs/dbraw/zinc/87/04/19/568870419.db2.gz IQYVBYGYRUXJDU-UHFFFAOYSA-N 0 0 416.840 3.384 50 0 HGAARN Cc1n[nH]c(=S)n1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000012605016 568870839 /nfs/dbraw/zinc/87/08/39/568870839.db2.gz XZYMQHVLOAKMGJ-UHFFFAOYSA-N 0 0 417.516 3.051 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000012606277 568871143 /nfs/dbraw/zinc/87/11/43/568871143.db2.gz KBTYRGWEUHJUTI-ZWKOTPCHSA-N 0 0 419.591 3.189 50 0 HGAARN Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1C1CCCCC1 ZINC000012607227 568871246 /nfs/dbraw/zinc/87/12/46/568871246.db2.gz PAGNVKACWVCJQN-UHFFFAOYSA-N 0 0 403.548 3.230 50 0 HGAARN COc1cc(C(=O)OCC(=O)N2CCCC[C@H]2C)ccc1OCc1c(C)noc1C ZINC000003288487 568872876 /nfs/dbraw/zinc/87/28/76/568872876.db2.gz VUAANLYMWFKCNL-CQSZACIVSA-N 0 0 416.474 3.437 50 0 HGAARN COc1ccc(C[C@]2(CCC(=O)N3CCc4sccc4C3)CCC(=O)N2)c(F)c1 ZINC000299770725 568874221 /nfs/dbraw/zinc/87/42/21/568874221.db2.gz MFDQSYRCMKZOJO-JOCHJYFZSA-N 0 0 416.518 3.452 50 0 HGAARN CCOC(=O)C1CCN([C@H](C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)CC1 ZINC000058012539 568876144 /nfs/dbraw/zinc/87/61/44/568876144.db2.gz GDEZDNSKRQZLLN-QFIPXVFZSA-N 0 0 424.497 3.413 50 0 HGAARN O=C(OCCOc1ccc(Cl)cc1)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000058017579 568876532 /nfs/dbraw/zinc/87/65/32/568876532.db2.gz LLPSUXXYYMIDJZ-UHFFFAOYSA-N 0 0 409.769 3.264 50 0 HGAARN COc1cc(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)cc(OC)c1OC ZINC000003300981 568876568 /nfs/dbraw/zinc/87/65/68/568876568.db2.gz FNCPRAACSNIFBD-OAHLLOKOSA-N 0 0 401.459 3.007 50 0 HGAARN CC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000003301376 568876600 /nfs/dbraw/zinc/87/66/00/568876600.db2.gz BJCMPIXRBNNFPO-UHFFFAOYSA-N 0 0 423.252 3.108 50 0 HGAARN Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3Cc3ccccc3)nc2n1 ZINC000003307506 568877567 /nfs/dbraw/zinc/87/75/67/568877567.db2.gz KKEKYSMNYISFSO-UHFFFAOYSA-N 0 0 415.453 3.127 50 0 HGAARN NC(=O)c1c(NC(=O)COC(=O)c2c(F)cccc2Cl)sc2c1CCCC2 ZINC000003309242 568877782 /nfs/dbraw/zinc/87/77/82/568877782.db2.gz SVFJSUWERKZLIH-UHFFFAOYSA-N 0 0 410.854 3.314 50 0 HGAARN C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000004025870 568878160 /nfs/dbraw/zinc/87/81/60/568878160.db2.gz XFMPZUDTDPMMJQ-USJUVAGOSA-N 0 0 402.487 3.141 50 0 biogenic HGAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1N ZINC000003316163 568879320 /nfs/dbraw/zinc/87/93/20/568879320.db2.gz JRILZVLSGWREDQ-UHFFFAOYSA-N 0 0 403.895 3.360 50 0 HGAARN NC(=O)c1c2c(sc1NC(=O)CSc1n[nH]c(-c3cccs3)n1)CCCC2 ZINC000003326107 568881287 /nfs/dbraw/zinc/88/12/87/568881287.db2.gz HXCBSCDFSQOMKU-UHFFFAOYSA-N 0 0 419.557 3.303 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccc(F)cc2)C(=O)[C@]31C ZINC000004061475 568881368 /nfs/dbraw/zinc/88/13/68/568881368.db2.gz ZKTXDWCKXADCJG-DEOSSOPVSA-N 0 0 421.472 3.000 50 0 biogenic HGAARN C[C@@]12c3[nH]c4ccc(F)cc4c3CCN1C(=O)CN(CCc1ccc(F)cc1)C2=O ZINC000004073324 568882460 /nfs/dbraw/zinc/88/24/60/568882460.db2.gz UXYWQYPTIVBEPV-QHCPKHFHSA-N 0 0 409.436 3.131 50 0 biogenic HGAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(OC(F)F)cc3)C(=O)[C@@H]2C)cc1 ZINC000003337489 568883027 /nfs/dbraw/zinc/88/30/27/568883027.db2.gz PIESKFYADYXQKK-ZDUSSCGKSA-N 0 0 403.385 3.392 50 0 HGAARN COc1ccc(CC(=O)NCc2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC ZINC000012638880 568883895 /nfs/dbraw/zinc/88/38/95/568883895.db2.gz NHELKZGUMXJTNL-UHFFFAOYSA-N 0 0 412.442 3.235 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2ccc(C)cc2)c1 ZINC000012639507 568884040 /nfs/dbraw/zinc/88/40/40/568884040.db2.gz AJYHSOMYNZKPAS-UHFFFAOYSA-N 0 0 403.548 3.273 50 0 HGAARN COc1ccc(-c2cc(CNC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)no2)cc1 ZINC000012638307 568884064 /nfs/dbraw/zinc/88/40/64/568884064.db2.gz KBZSRMJNUXXCRR-INIZCTEOSA-N 0 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568888995 /nfs/dbraw/zinc/88/89/95/568888995.db2.gz QWGRWXJSWNEWIX-UHFFFAOYSA-N 0 0 418.446 3.257 50 0 HGAARN O=C1c2ccccc2C(=O)N1CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000003372233 568890946 /nfs/dbraw/zinc/89/09/46/568890946.db2.gz KLCQANSERSZLCT-UHFFFAOYSA-N 0 0 417.446 3.384 50 0 HGAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccccc1F ZINC000003373312 568891126 /nfs/dbraw/zinc/89/11/26/568891126.db2.gz ONLLHJUEVYLZDT-UHFFFAOYSA-N 0 0 422.368 3.010 50 0 HGAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000003373377 568891155 /nfs/dbraw/zinc/89/11/55/568891155.db2.gz GOUJFYXUTVJURZ-GJZGRUSLSA-N 0 0 424.453 3.022 50 0 HGAARN CSCC[C@H]1NC(=O)N(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)C1=O ZINC000003398587 568895773 /nfs/dbraw/zinc/89/57/73/568895773.db2.gz VWMXSZGVHYIXLH-DNVCBOLYSA-N 0 0 411.527 3.204 50 0 HGAARN CSCC[C@@H]1NC(=O)N(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)C1=O ZINC000003398592 568895903 /nfs/dbraw/zinc/89/59/03/568895903.db2.gz VWMXSZGVHYIXLH-BEFAXECRSA-N 0 0 411.527 3.204 50 0 HGAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000003406705 568897316 /nfs/dbraw/zinc/89/73/16/568897316.db2.gz VFOKQNPYRPMOTC-UHFFFAOYSA-N 0 0 410.539 3.403 50 0 HGAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(C)c(C)sc2NC(C)=O)c1C ZINC000003421277 568900060 /nfs/dbraw/zinc/90/00/60/568900060.db2.gz SEANMHJWOMVGIJ-UHFFFAOYSA-N 0 0 420.487 3.485 50 0 HGAARN Cc1ccc2c(COC(=O)CCN3C(=O)c4ccccc4C3=O)cc(=O)oc2c1C ZINC000003427552 568900761 /nfs/dbraw/zinc/90/07/61/568900761.db2.gz FKIYIRZTECKELN-UHFFFAOYSA-N 0 0 405.406 3.139 50 0 HGAARN Cn1nc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c2ccccc2c1=O ZINC000003431197 568901899 /nfs/dbraw/zinc/90/18/99/568901899.db2.gz CHBPHUNFDRAPRY-UHFFFAOYSA-N 0 0 419.409 3.044 50 0 HGAARN Cc1cc(Br)ccc1SCC(=O)OCn1nnc2ccccc2c1=O ZINC000003438217 568902989 /nfs/dbraw/zinc/90/29/89/568902989.db2.gz YMGDREKLNMCKDE-UHFFFAOYSA-N 0 0 420.288 3.155 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1cc(C)ccc1OC ZINC000003437222 568903016 /nfs/dbraw/zinc/90/30/16/568903016.db2.gz LXRCJXJCNJPZFR-UHFFFAOYSA-N 0 0 419.894 3.372 50 0 HGAARN Cc1cccc(NC(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1 ZINC000003441128 568903822 /nfs/dbraw/zinc/90/38/22/568903822.db2.gz DKKZPBFOQWUHIH-UHFFFAOYSA-N 0 0 405.501 3.117 50 0 HGAARN COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000003443810 568904332 /nfs/dbraw/zinc/90/43/32/568904332.db2.gz FQIHBVJBOXNNIK-UHFFFAOYSA-N 0 0 424.522 3.493 50 0 HGAARN CCc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 ZINC000003445224 568904551 /nfs/dbraw/zinc/90/45/51/568904551.db2.gz IVXFGFIVXPKYHD-UHFFFAOYSA-N 0 0 418.515 3.075 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000003447392 568904684 /nfs/dbraw/zinc/90/46/84/568904684.db2.gz DIUBGHIUVRILCJ-UHFFFAOYSA-N 0 0 401.315 3.216 50 0 HGAARN Cc1ccc2c(CSc3nc4ccccc4c(=O)n3CCCO)cc(=O)oc2c1 ZINC000003455038 568906345 /nfs/dbraw/zinc/90/63/45/568906345.db2.gz AXXUASHHVSGBBD-UHFFFAOYSA-N 0 0 408.479 3.486 50 0 HGAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003455619 568906373 /nfs/dbraw/zinc/90/63/73/568906373.db2.gz OTELRJLBMLQWIH-UHFFFAOYSA-N 0 0 423.441 3.239 50 0 HGAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O ZINC000003459608 568906789 /nfs/dbraw/zinc/90/67/89/568906789.db2.gz KHVACEYRIVXLCR-LJQANCHMSA-N 0 0 406.269 3.077 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000003469389 568907489 /nfs/dbraw/zinc/90/74/89/568907489.db2.gz LKZHXHWJCFJLCI-UHFFFAOYSA-N 0 0 403.287 3.261 50 0 HGAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c2C1 ZINC000003482045 568908497 /nfs/dbraw/zinc/90/84/97/568908497.db2.gz CGLMDYMMLMKLEV-AWEZNQCLSA-N 0 0 417.465 3.254 50 0 HGAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccccc1SC ZINC000003491791 568909507 /nfs/dbraw/zinc/90/95/07/568909507.db2.gz BADIUDKOPONAKH-UHFFFAOYSA-N 0 0 401.517 3.432 50 0 HGAARN Cc1nn2c(=O)c3c4c(sc3nc2n(-c2ccccc2)c1=O)CSC(C)(C)C4 ZINC000001277697 568909969 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O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1Cc1ccc(F)cc1Cl ZINC000263618933 568912131 /nfs/dbraw/zinc/91/21/31/568912131.db2.gz WFEQPTRHQCMWJO-UHFFFAOYSA-N 0 0 424.823 3.444 50 0 HGAARN O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000003523401 568912321 /nfs/dbraw/zinc/91/23/21/568912321.db2.gz OPGRNJUTMZROQQ-CYBMUJFWSA-N 0 0 421.280 3.434 50 0 HGAARN Cc1cc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)o1 ZINC000003536483 568913596 /nfs/dbraw/zinc/91/35/96/568913596.db2.gz YKVWEAGUJWKOSX-UHFFFAOYSA-N 0 0 405.472 3.111 50 0 HGAARN Cc1ccccc1Cn1c(NCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000001315428 568913888 /nfs/dbraw/zinc/91/38/88/568913888.db2.gz QMXDCPKXIVHILM-UHFFFAOYSA-N 0 0 409.877 3.046 50 0 HGAARN COc1ccc(-n2nnnc2SCC(=O)c2ccc(Br)s2)cc1 ZINC000003542305 568913923 /nfs/dbraw/zinc/91/39/23/568913923.db2.gz CIEMYKBTUXLAOH-UHFFFAOYSA-N 0 0 411.306 3.470 50 0 HGAARN Cc1cc(C(=O)COC(=O)c2cnc(C)cn2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000003545133 568914222 /nfs/dbraw/zinc/91/42/22/568914222.db2.gz YOZCFBJMFFQYLV-QGZVFWFLSA-N 0 0 421.453 3.083 50 0 HGAARN CCC(CC)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC000003549903 568914564 /nfs/dbraw/zinc/91/45/64/568914564.db2.gz BHZSAHOZEHGJTR-UHFFFAOYSA-N 0 0 402.516 3.365 50 0 HGAARN O=C1C([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)C([O-])=NC(=S)N1CCc1ccccc1 ZINC000001322939 568914737 /nfs/dbraw/zinc/91/47/37/568914737.db2.gz GUDYFMZGYBKFRU-FQEVSTJZSA-N 0 0 418.522 3.197 50 0 biogenic HGAARN COc1ccc(-c2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2C)cc1 ZINC000003554275 568915186 /nfs/dbraw/zinc/91/51/86/568915186.db2.gz LSDGUSXAPOTKAS-UHFFFAOYSA-N 0 0 406.467 3.476 50 0 HGAARN COc1cc(C(=O)N[C@H](C(=O)NCc2ccc(C)cc2)C(C)C)cc(OC)c1OC ZINC000003554373 568915223 /nfs/dbraw/zinc/91/52/23/568915223.db2.gz YFBINBYNKCTDSB-FQEVSTJZSA-N 0 0 414.502 3.092 50 0 HGAARN COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000003557426 568915356 /nfs/dbraw/zinc/91/53/56/568915356.db2.gz LDKPMHQAHPPRJB-UHFFFAOYSA-N 0 0 422.934 3.112 50 0 HGAARN O=C(c1cccc(Br)c1)N1NC(C(F)(F)F)=C[C@]1(O)C(F)(F)F ZINC000004143242 568916077 /nfs/dbraw/zinc/91/60/77/568916077.db2.gz PRSXTZUCPXNACB-JTQLQIEISA-N 0 0 405.092 3.464 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000003564308 568916094 /nfs/dbraw/zinc/91/60/94/568916094.db2.gz CJTHNKJIRKJYQA-UHFFFAOYSA-N 0 0 416.952 3.480 50 0 HGAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@H]2c2ccccc2)cc1 ZINC000004144421 568916192 /nfs/dbraw/zinc/91/61/92/568916192.db2.gz QFEAMHXXUMJESO-NRFANRHFSA-N 0 0 419.485 3.139 50 0 HGAARN O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003569721 568916397 /nfs/dbraw/zinc/91/63/97/568916397.db2.gz IFUFLTJUDIEKCP-UHFFFAOYSA-N 0 0 424.478 3.189 50 0 HGAARN CCOCCCn1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O ZINC000003580306 568916853 /nfs/dbraw/zinc/91/68/53/568916853.db2.gz RWQLLWRLSXVSAP-UHFFFAOYSA-N 0 0 417.556 3.293 50 0 HGAARN CCOc1ccc(C(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1OCC ZINC000004165386 568918757 /nfs/dbraw/zinc/91/87/57/568918757.db2.gz GBFPXWLCGOKKCA-SFHVURJKSA-N 0 0 401.484 3.442 50 0 HGAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)NCc2ccc(F)cc2)cc1 ZINC000004166635 568919361 /nfs/dbraw/zinc/91/93/61/568919361.db2.gz LAZGVRFYKYLESG-UHFFFAOYSA-N 0 0 408.462 3.067 50 0 HGAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2cccc(C)c2)cc1 ZINC000004166743 568919377 /nfs/dbraw/zinc/91/93/77/568919377.db2.gz DSYYOVZZHKAHLV-UHFFFAOYSA-N 0 0 406.471 3.258 50 0 HGAARN COc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 ZINC000004166685 568919389 /nfs/dbraw/zinc/91/93/89/568919389.db2.gz KBFNEFWNKQUUOJ-UHFFFAOYSA-N 0 0 410.434 3.089 50 0 HGAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O)c1ccccc1 ZINC000003610663 568919978 /nfs/dbraw/zinc/91/99/78/568919978.db2.gz ZWXYCNISVYACOS-UPCLLVRISA-N 0 0 401.466 3.484 50 0 HGAARN COc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000001384195 568922262 /nfs/dbraw/zinc/92/22/62/568922262.db2.gz HEYICIGIRSDQEM-UHFFFAOYSA-N 0 0 416.433 3.187 50 0 HGAARN CSc1cccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000012731268 568922524 /nfs/dbraw/zinc/92/25/24/568922524.db2.gz GZSGDSQKTOZYGU-INIZCTEOSA-N 0 0 406.529 3.118 50 0 HGAARN COc1ccc(-n2ncc3c2C[C@H]2c4cc(OC)c(OC)cc4CCN2C3=O)cc1 ZINC000001393596 568925015 /nfs/dbraw/zinc/92/50/15/568925015.db2.gz OWRMZFBHYXAFIS-IBGZPJMESA-N 0 0 405.454 3.194 50 0 HGAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000031493348 568926885 /nfs/dbraw/zinc/92/68/85/568926885.db2.gz ZLNUGCWRQPTMPS-UHFFFAOYSA-N 0 0 416.525 3.360 50 0 HGAARN CC[C@@H](C(=O)NCCn1c(C)nc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000031497962 568927071 /nfs/dbraw/zinc/92/70/71/568927071.db2.gz MDIKJSKEQLUJBN-SFHVURJKSA-N 0 0 423.908 3.419 50 0 HGAARN Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)ccc3F)CC2)c1 ZINC000031544316 568927623 /nfs/dbraw/zinc/92/76/23/568927623.db2.gz AFOOQANOPHSVDH-UHFFFAOYSA-N 0 0 420.326 3.449 50 0 HGAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1N1CCc2ccccc21 ZINC000031532553 568927641 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COc1ccc(NC(=O)CSc2nnc(-c3nc(-c4ccccc4)no3)n2C)cc1 ZINC000065100051 569177184 /nfs/dbraw/zinc/17/71/84/569177184.db2.gz STCLFPVECRBHLI-UHFFFAOYSA-N 0 0 422.470 3.272 50 0 HGAARN CN(C(=O)CSc1nnc(-c2nc(-c3ccccc3)no2)n1C)c1ccccc1 ZINC000065100034 569177211 /nfs/dbraw/zinc/17/72/11/569177211.db2.gz GXUMFLFGOJGRJP-UHFFFAOYSA-N 0 0 406.471 3.287 50 0 HGAARN Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100096 569177227 /nfs/dbraw/zinc/17/72/27/569177227.db2.gz AGEJKDWKJXPVHX-UHFFFAOYSA-N 0 0 418.482 3.214 50 0 HGAARN CCCNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O ZINC000065101475 569177455 /nfs/dbraw/zinc/17/74/55/569177455.db2.gz LPWAFADFVMSGTN-UHFFFAOYSA-N 0 0 420.513 3.111 50 0 HGAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1cccs1 ZINC000006901449 569177626 /nfs/dbraw/zinc/17/76/26/569177626.db2.gz NKFNEUWLFJJUPR-UHFFFAOYSA-N 0 0 417.556 3.194 50 0 HGAARN Cc1nn(-c2ccccc2)c2c1N(CC(=O)NCc1ccc(C)cc1)C(=O)CS2 ZINC000006917348 569181243 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CC[C@H](C)NS(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCCC3)s2)n(C)c1 ZINC000065137469 569183588 /nfs/dbraw/zinc/18/35/88/569183588.db2.gz GJJTXNNBEPWTRP-ZDUSSCGKSA-N 0 0 424.592 3.160 50 0 HGAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006929177 569183879 /nfs/dbraw/zinc/18/38/79/569183879.db2.gz HGJSITNMPSVKPR-HNNXBMFYSA-N 0 0 406.479 3.406 50 0 HGAARN Cc1cc(C)cc(Oc2nccn3c(=O)n(CC(=O)Nc4ccccc4C)nc23)c1 ZINC000065150799 569185984 /nfs/dbraw/zinc/18/59/84/569185984.db2.gz RQWZSZJUCXJNMA-UHFFFAOYSA-N 0 0 403.442 3.247 50 0 HGAARN Cc1ccc(F)cc1NC(=O)Cn1nc2c(SCc3ccccc3)nccn2c1=O ZINC000065151141 569186277 /nfs/dbraw/zinc/18/62/77/569186277.db2.gz QZZTVVJNKATLJS-UHFFFAOYSA-N 0 0 423.473 3.270 50 0 HGAARN CCOc1ccccc1NC(=O)CN1c2ccccc2[C@](O)(c2ccccc2)C1=O ZINC000065155751 569186524 /nfs/dbraw/zinc/18/65/24/569186524.db2.gz IXHFBBVLSRHLEI-XMMPIXPASA-N 0 0 402.450 3.307 50 0 HGAARN CCOc1ccccc1NC(=O)CN1c2ccccc2[C@@](O)(c2ccccc2)C1=O ZINC000065155753 569186530 /nfs/dbraw/zinc/18/65/30/569186530.db2.gz IXHFBBVLSRHLEI-DEOSSOPVSA-N 0 0 402.450 3.307 50 0 HGAARN C[C@@H]1Cc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000006941794 569186714 /nfs/dbraw/zinc/18/67/14/569186714.db2.gz QTZSMLKLXCMKOM-OAHLLOKOSA-N 0 0 412.511 3.177 50 0 HGAARN CC[C@@H](C(=O)NCc1ccccc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000006944311 569187129 /nfs/dbraw/zinc/18/71/29/569187129.db2.gz YAXTZLNVRWRWPT-FQEVSTJZSA-N 0 0 415.497 3.467 50 0 HGAARN CC[C@H](C(=O)NCc1ccco1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000006944363 569187135 /nfs/dbraw/zinc/18/71/35/569187135.db2.gz AWLBBSDUWOHVRH-GOSISDBHSA-N 0 0 405.458 3.060 50 0 HGAARN COc1ccc(CCNC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000006945992 569187358 /nfs/dbraw/zinc/18/73/58/569187358.db2.gz LICYRCLTKWXUTQ-UHFFFAOYSA-N 0 0 403.475 3.021 50 0 biogenic HGAARN Cc1noc(-c2cc(=O)n(CC(=O)NCc3ccccc3Cl)c3ccccc23)n1 ZINC000065154403 569187806 /nfs/dbraw/zinc/18/78/06/569187806.db2.gz VQKKWQLJSVIYCJ-UHFFFAOYSA-N 0 0 408.845 3.330 50 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CCC(CC)C(=O)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000065179057 569191950 /nfs/dbraw/zinc/19/19/50/569191950.db2.gz KJXIYGYCJHXFNW-GOSISDBHSA-N 0 0 402.535 3.213 50 0 HGAARN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)N[C@H](C)c2cccnc2)c1C ZINC000065194642 569192827 /nfs/dbraw/zinc/19/28/27/569192827.db2.gz YBGCDYXOEDVLDJ-GFCCVEGCSA-N 0 0 415.519 3.487 50 0 HGAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4cccc(C(C)=O)c4)CC3=O)ccc21 ZINC000065195387 569194130 /nfs/dbraw/zinc/19/41/30/569194130.db2.gz CPJJHMWCMHNHNU-SFHVURJKSA-N 0 0 419.481 3.180 50 0 HGAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4cc(C)ccc4OC)CC3=O)ccc21 ZINC000065195412 569194136 /nfs/dbraw/zinc/19/41/36/569194136.db2.gz RLFIFSIXXVQYFP-QGZVFWFLSA-N 0 0 421.497 3.294 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3ccc(Cl)cc3F)c(=O)n2c(-c2ccccc2)n1 ZINC000065196489 569194681 /nfs/dbraw/zinc/19/46/81/569194681.db2.gz XQOYIRSOSLBAGK-UHFFFAOYSA-N 0 0 411.824 3.298 50 0 HGAARN COc1ccc(-c2cc3nn(CC(=O)Nc4cc(C)ccc4C)c(=O)n3c(C)n2)cc1 ZINC000065196644 569194762 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COc1ccc(CNC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1 ZINC000065220385 569198105 /nfs/dbraw/zinc/19/81/05/569198105.db2.gz SVUFLMVDKWAHIE-UHFFFAOYSA-N 0 0 419.456 3.315 50 0 HGAARN CSc1cccc(N2C(=O)N(Cc3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000007005708 569198914 /nfs/dbraw/zinc/19/89/14/569198914.db2.gz NFUCYWQNJOZCIV-MOPGFXCFSA-N 0 0 402.541 3.325 50 0 HGAARN CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)no1 ZINC000065227715 569199125 /nfs/dbraw/zinc/19/91/25/569199125.db2.gz DRRDYDHGBHLHHJ-INIZCTEOSA-N 0 0 409.465 3.366 50 0 HGAARN CCOc1ccc(N2C(=O)N(Cc3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000007005757 569199132 /nfs/dbraw/zinc/19/91/32/569199132.db2.gz SNWGZJRUTZYYMW-RTBURBONSA-N 0 0 420.918 3.347 50 0 HGAARN Cc1ccc(N2C(=O)N(Cc3ccccc3F)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000007005956 569199255 /nfs/dbraw/zinc/19/92/55/569199255.db2.gz KGQUKTYWSGUOAB-ZWKOTPCHSA-N 0 0 408.882 3.395 50 0 HGAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCn3nc(-c4cccnc4)cc3C2)cc1 ZINC000065225562 569199515 /nfs/dbraw/zinc/19/95/15/569199515.db2.gz YNEMEEBSSIIKQS-UHFFFAOYSA-N 0 0 419.485 3.489 50 0 HGAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1 ZINC000065231798 569201162 /nfs/dbraw/zinc/20/11/62/569201162.db2.gz NLVYEEZLGOBEBW-UHFFFAOYSA-N 0 0 422.464 3.393 50 0 HGAARN CCCn1nnnc1COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC ZINC000007020667 569202111 /nfs/dbraw/zinc/20/21/11/569202111.db2.gz YBTKFNIVNRNPEU-UHFFFAOYSA-N 0 0 418.457 3.301 50 0 HGAARN C=C1C(N2CCCN(C(=O)C[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239337 569203249 /nfs/dbraw/zinc/20/32/49/569203249.db2.gz TXCUAVQGEUUSFU-INIZCTEOSA-N 0 0 403.548 3.130 50 0 HGAARN C=C1C(N2CCCN(C(=O)CC(C)(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239433 569203387 /nfs/dbraw/zinc/20/33/87/569203387.db2.gz ALPGLDOLNMYXRG-UHFFFAOYSA-N 0 0 417.575 3.438 50 0 HGAARN O=C(Cn1c(=O)c2cc(-c3cccs3)nn2c2ncccc21)NCc1ccccc1 ZINC000065240300 569203726 /nfs/dbraw/zinc/20/37/26/569203726.db2.gz QREGEQXMCDXROZ-UHFFFAOYSA-N 0 0 415.478 3.089 50 0 HGAARN 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CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc(-n2ccnc2C)ccn1 ZINC000170611440 569245650 /nfs/dbraw/zinc/24/56/50/569245650.db2.gz GFULMDUBWKQQNB-XMMPIXPASA-N 0 0 418.497 3.356 50 0 HGAARN COC(=O)NC1(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CCCC1 ZINC000170611387 569245673 /nfs/dbraw/zinc/24/56/73/569245673.db2.gz SEMPVTACLVOBCN-UHFFFAOYSA-N 0 0 423.554 3.295 50 0 HGAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000007529254 569246014 /nfs/dbraw/zinc/24/60/14/569246014.db2.gz CTBCPLCSXFKGEC-UHFFFAOYSA-N 0 0 411.459 3.114 50 0 HGAARN CCCSCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000170616576 569247424 /nfs/dbraw/zinc/24/74/24/569247424.db2.gz VVFDRIQKZUGPOD-UHFFFAOYSA-N 0 0 420.453 3.167 50 0 HGAARN COCCn1ccc2cc(C(=O)N3CCC(O)(c4ccc(OC)cc4)CC3)ccc21 ZINC000170625029 569249648 /nfs/dbraw/zinc/24/96/48/569249648.db2.gz ITOUQSXHZQFSSN-UHFFFAOYSA-N 0 0 408.498 3.420 50 0 HGAARN O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCC1=CCCCC1 ZINC000170625232 569250011 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403.504 3.462 50 0 HGAARN CCn1c(C)cc(O)c(C(c2cccc(OC)c2)c2c(O)cc(C)n(CC)c2=O)c1=O ZINC000010217739 569253565 /nfs/dbraw/zinc/25/35/65/569253565.db2.gz LREZCZIZMZLCMS-UHFFFAOYSA-N 0 0 424.497 3.267 50 0 HGAARN CC1(C)Cc2nc(NC(=O)CCCS(=O)(=O)c3ccccc3)sc2C(=O)C1 ZINC000010218245 569253629 /nfs/dbraw/zinc/25/36/29/569253629.db2.gz UXUSDASOMMYXRL-UHFFFAOYSA-N 0 0 406.529 3.491 50 0 HGAARN COc1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc2c1OCCO2 ZINC000010460719 569254660 /nfs/dbraw/zinc/25/46/60/569254660.db2.gz CFQBHYDKVPMRIX-UHFFFAOYSA-N 0 0 410.470 3.023 50 0 HGAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1OC ZINC000004884752 569255696 /nfs/dbraw/zinc/25/56/96/569255696.db2.gz GCTIJPORYSUQBR-UHFFFAOYSA-N 0 0 416.499 3.194 50 0 HGAARN O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)Nc1ccc2c(c1)OCO2 ZINC000013610685 569256714 /nfs/dbraw/zinc/25/67/14/569256714.db2.gz WFLMISWWESHWAL-UHFFFAOYSA-N 0 0 419.441 3.353 50 0 HGAARN Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n(C(C)C)n1 ZINC000013657083 569256794 /nfs/dbraw/zinc/25/67/94/569256794.db2.gz YNNYPPQJOPVXHV-INIZCTEOSA-N 0 0 410.927 3.218 50 0 HGAARN CCCOc1ccc(-c2csc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 ZINC000013789994 569257710 /nfs/dbraw/zinc/25/77/10/569257710.db2.gz HUJMVPMOANEUOC-HNNXBMFYSA-N 0 0 423.560 3.209 50 0 HGAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000013801302 569257811 /nfs/dbraw/zinc/25/78/11/569257811.db2.gz AFEQATSTQKUZGT-UHFFFAOYSA-N 0 0 420.469 3.202 50 0 HGAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3cccc(C)c3C)n2)cc1 ZINC000013801086 569257812 /nfs/dbraw/zinc/25/78/12/569257812.db2.gz RXFYSCBURGKBSB-UHFFFAOYSA-N 0 0 405.498 3.421 50 0 HGAARN CCCCCOc1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 ZINC000013809799 569257939 /nfs/dbraw/zinc/25/79/39/569257939.db2.gz FSTVKBZRWDJSGJ-CYVLTUHYSA-N 0 0 419.506 3.295 50 0 HGAARN COc1ccc(-c2nnc3n2N=C(c2ccc(OC)c(OC)c2)CS3)c(OC)c1 ZINC000013828696 569258112 /nfs/dbraw/zinc/25/81/12/569258112.db2.gz LNWPRIMXQHIADJ-UHFFFAOYSA-N 0 0 412.471 3.338 50 0 HGAARN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000014183531 569258803 /nfs/dbraw/zinc/25/88/03/569258803.db2.gz LZSNDQQHAYWWRQ-UTKZUKDTSA-N 0 0 418.559 3.492 50 0 HGAARN Cc1nc2sc3c(c2c(NCc2ccccc2S(=O)(=O)N(C)C)n1)CCC3 ZINC000014325993 569259394 /nfs/dbraw/zinc/25/93/94/569259394.db2.gz JYIXOFGHMKPVMA-UHFFFAOYSA-N 0 0 402.545 3.351 50 0 HGAARN CCCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(Cl)c1 ZINC000014353976 569259585 /nfs/dbraw/zinc/25/95/85/569259585.db2.gz RCGUZRUAWYBJCT-UHFFFAOYSA-N 0 0 424.906 3.151 50 0 HGAARN Cc1noc2nc(C)cc(C(=O)Nc3c4ccccc4oc3C(=O)N3CCOCC3)c12 ZINC000014337300 569259604 /nfs/dbraw/zinc/25/96/04/569259604.db2.gz XGTHCWGZWQZHRZ-UHFFFAOYSA-N 0 0 420.425 3.311 50 0 HGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000014594867 569260564 /nfs/dbraw/zinc/26/05/64/569260564.db2.gz CRXXCVJXUKRFRF-SNVBAGLBSA-N 0 0 416.455 3.175 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c(C)c1 ZINC000089614317 569261228 /nfs/dbraw/zinc/26/12/28/569261228.db2.gz HCJQIORYSLDZAN-UHFFFAOYSA-N 0 0 400.544 3.363 50 0 HGAARN Cc1ccccc1-c1noc(Cn2cnc3c(nnn3-c3cccc(Cl)c3)c2=O)n1 ZINC000016843157 569264761 /nfs/dbraw/zinc/26/47/61/569264761.db2.gz WRDODXZMVSEWNX-UHFFFAOYSA-N 0 0 419.832 3.037 50 0 HGAARN COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C)n2)cc1OC ZINC000016843310 569264887 /nfs/dbraw/zinc/26/48/87/569264887.db2.gz IDFAWLKEINBRNQ-UHFFFAOYSA-N 0 0 416.484 3.355 50 0 HGAARN O=c1[nH]nc(SCc2nc(-c3ccc(F)cc3)no2)n2nc(-c3ccco3)cc12 ZINC000016844185 569264934 /nfs/dbraw/zinc/26/49/34/569264934.db2.gz ATTOJMQUIFFKCD-UHFFFAOYSA-N 0 0 410.390 3.159 50 0 HGAARN COC(=O)c1cc(C2CC2)nc2c1c(-c1cccs1)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850700 569265907 /nfs/dbraw/zinc/26/59/07/569265907.db2.gz QDQYLSUVCIACOC-GFCCVEGCSA-N 0 0 417.512 3.183 50 0 HGAARN CSc1cccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c1 ZINC000016851307 569266104 /nfs/dbraw/zinc/26/61/04/569266104.db2.gz SYCLZTYBUIKGSQ-UHFFFAOYSA-N 0 0 414.512 3.377 50 0 HGAARN CC(C)CCO[C@H]1CCCC[C@H]1Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000089821171 569266543 /nfs/dbraw/zinc/26/65/43/569266543.db2.gz NUDFZANDQRZLIO-AEFFLSMTSA-N 0 0 417.593 3.279 50 0 HGAARN COc1ccc(CC(=O)NCC2N=NC(=S)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000016953631 569268438 /nfs/dbraw/zinc/26/84/38/569268438.db2.gz WXWFGBMKYZKRDU-UHFFFAOYSA-N 0 0 422.432 3.442 50 0 HGAARN Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1F ZINC000016981240 569270284 /nfs/dbraw/zinc/27/02/84/569270284.db2.gz RGKDRFRSQKGDDG-UHFFFAOYSA-N 0 0 419.407 3.178 50 0 HGAARN COC(=O)c1ccc(NC(=O)C(=O)NCCc2sc(-c3ccccc3)nc2C)cc1 ZINC000016992258 569270587 /nfs/dbraw/zinc/27/05/87/569270587.db2.gz WMBQHIIVMUAVQN-UHFFFAOYSA-N 0 0 423.494 3.203 50 0 HGAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000016992215 569270622 /nfs/dbraw/zinc/27/06/22/569270622.db2.gz SWDQVOKKDYBVQG-UHFFFAOYSA-N 0 0 423.469 3.213 50 0 HGAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4c(F)cccc4F)CC3)C2=O)cc1 ZINC000017041272 569272265 /nfs/dbraw/zinc/27/22/65/569272265.db2.gz HEFCUCFBUFYAJF-UHFFFAOYSA-N 0 0 413.424 3.000 50 0 HGAARN C[C@@H]1Cc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2N1S(C)(=O)=O ZINC000017064654 569272807 /nfs/dbraw/zinc/27/28/07/569272807.db2.gz QOISKIUBWAZMST-GFCCVEGCSA-N 0 0 412.433 3.346 50 0 HGAARN NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000017155441 569275825 /nfs/dbraw/zinc/27/58/25/569275825.db2.gz ZOKBDIQYYMVMFX-UHFFFAOYSA-N 0 0 414.874 3.329 50 0 HGAARN COCCNc1nc2nn(-c3ccc(F)cc3)c(N)c2c(-c2ccccc2OC)n1 ZINC000037357889 569275995 /nfs/dbraw/zinc/27/59/95/569275995.db2.gz WDIIYJJUAGSQOK-UHFFFAOYSA-N 0 0 408.437 3.271 50 0 HGAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)NC1CCCCC1 ZINC000017189840 569276499 /nfs/dbraw/zinc/27/64/99/569276499.db2.gz FECJEEPLDUVEHK-UHFFFAOYSA-N 0 0 415.584 3.481 50 0 HGAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@](C)(O)c2cccs2)cc1 ZINC000170635642 569276960 /nfs/dbraw/zinc/27/69/60/569276960.db2.gz IFYIHFSIJRAKHE-HSZRJFAPSA-N 0 0 419.506 3.393 50 0 HGAARN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2Cc3cc(F)ccc3O2)c1C ZINC000170635834 569277469 /nfs/dbraw/zinc/27/74/69/569277469.db2.gz UTEDTNLARIBQLW-HKUYNNGSSA-N 0 0 400.475 3.286 50 0 HGAARN CCc1cccc(CC)c1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000002877096 569278378 /nfs/dbraw/zinc/27/83/78/569278378.db2.gz PONFLXNXBDEPTR-UHFFFAOYSA-N 0 0 402.516 3.419 50 0 HGAARN COc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002878138 569278450 /nfs/dbraw/zinc/27/84/50/569278450.db2.gz BOVZTNAHQLIZSF-JTQLQIEISA-N 0 0 403.287 3.308 50 0 HGAARN CCOc1ccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1OC ZINC000002097402 569281037 /nfs/dbraw/zinc/28/10/37/569281037.db2.gz KQDUTNQHICTYOT-DHDCSXOGSA-N 0 0 413.426 3.464 50 0 biogenic HGAARN O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@H](O)COc1cccc2ccccc21 ZINC000058007648 569281865 /nfs/dbraw/zinc/28/18/65/569281865.db2.gz NSRVXZHCCWQKOX-FPOVZHCZSA-N 0 0 404.466 3.133 50 0 HGAARN CC[C@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 ZINC000002457396 569282181 /nfs/dbraw/zinc/28/21/81/569282181.db2.gz MEEKJTGSRXDPEW-FDDCHVKYSA-N 0 0 416.518 3.264 50 0 HGAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)N(C)Cc1ccc(C)cc1C ZINC000007584606 569283385 /nfs/dbraw/zinc/28/33/85/569283385.db2.gz UDLVJIAQGMOFNX-UHFFFAOYSA-N 0 0 411.531 3.347 50 0 HGAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC3)CC(=O)N21 ZINC000002111490 569284101 /nfs/dbraw/zinc/28/41/01/569284101.db2.gz RAABUXVQNLZVED-RDPSFJRHSA-N 0 0 415.493 3.414 50 0 biogenic HGAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@@H]2NC(=O)CN1CCOCC1 ZINC000252460323 569286735 /nfs/dbraw/zinc/28/67/35/569286735.db2.gz DMLFUNWWXDIAEI-XXKSXNPJSA-N 0 0 418.622 3.207 50 0 biogenic HGAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000002544891 569288473 /nfs/dbraw/zinc/28/84/73/569288473.db2.gz XYELVDOKMFNOIH-UHFFFAOYSA-N 0 0 405.241 3.300 50 0 HGAARN CCN(CC)C(=O)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 ZINC000027223108 569289340 /nfs/dbraw/zinc/28/93/40/569289340.db2.gz 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/nfs/dbraw/zinc/44/64/09/568446409.db2.gz CZEZOJLFYHMHSY-UHFFFAOYSA-N 0 0 403.417 3.407 50 0 HGAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccs5)no4)ncn3n2)c(C)c1 ZINC000049004318 568446726 /nfs/dbraw/zinc/44/67/26/568446726.db2.gz IOWRZRPGVUZFPF-UHFFFAOYSA-N 0 0 404.455 3.335 50 0 HGAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049363106 568447142 /nfs/dbraw/zinc/44/71/42/568447142.db2.gz PGZDWDLQAOMHAO-UHFFFAOYSA-N 0 0 410.455 3.112 50 0 HGAARN CSc1ccc(-c2noc(Cn3nc4ccc(-c5ccccc5)nn4c3=O)n2)cc1 ZINC000049399453 568447360 /nfs/dbraw/zinc/44/73/60/568447360.db2.gz GMKAPWKVKPDNME-UHFFFAOYSA-N 0 0 416.466 3.378 50 0 HGAARN COC(=O)c1cn(Cc2ccccc2C)nc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000049402304 568448017 /nfs/dbraw/zinc/44/80/17/568448017.db2.gz GEMXUOLTRICVCM-UHFFFAOYSA-N 0 0 413.499 3.160 50 0 HGAARN COc1ccc(CNC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc1 ZINC000049403581 568448337 /nfs/dbraw/zinc/44/83/37/568448337.db2.gz GDLCJMMRTAZKKZ-UHFFFAOYSA-N 0 0 424.476 3.380 50 0 HGAARN COc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3cnnc23)c1 ZINC000049404902 568448580 /nfs/dbraw/zinc/44/85/80/568448580.db2.gz YIZKODQZVGNPRB-UHFFFAOYSA-N 0 0 412.446 3.273 50 0 HGAARN COc1ccc(-c2nnc(CC(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)cc1 ZINC000049405744 568448725 /nfs/dbraw/zinc/44/87/25/568448725.db2.gz XMHKXLGVKCVRIQ-UHFFFAOYSA-N 0 0 406.486 3.253 50 0 HGAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)CCC4CCCC4)CC3)nn2)cc1 ZINC000049405952 568448813 /nfs/dbraw/zinc/44/88/13/568448813.db2.gz SVJAJLMHKOPBKG-UHFFFAOYSA-N 0 0 409.534 3.267 50 0 HGAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)CC4CCCCC4)CC3)nn2)cc1 ZINC000049405917 568448826 /nfs/dbraw/zinc/44/88/26/568448826.db2.gz SNLPGGYIGHVTOS-UHFFFAOYSA-N 0 0 409.534 3.267 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3ccccc3C)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 ZINC000049410709 568450049 /nfs/dbraw/zinc/45/00/49/568450049.db2.gz HYAPDVBBAUKJQR-UHFFFAOYSA-N 0 0 420.448 3.338 50 0 HGAARN Cc1ccc(NC(=O)CN2CN(c3ccccc3)c3ncccc3S2(=O)=O)cc1 ZINC000049411375 568450177 /nfs/dbraw/zinc/45/01/77/568450177.db2.gz XLVCXYSWWAHQJO-UHFFFAOYSA-N 0 0 408.483 3.129 50 0 HGAARN COc1cccc(-c2csc3c2[nH]c(N2CCC[C@H](C(=O)NC4CC4)C2)nc3=O)c1 ZINC000049421332 568450512 /nfs/dbraw/zinc/45/05/12/568450512.db2.gz KJCDLJZFEBYDTM-AWEZNQCLSA-N 0 0 424.526 3.155 50 0 HGAARN NC(=O)c1ccc(NC(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)cc1 ZINC000049546866 568451439 /nfs/dbraw/zinc/45/14/39/568451439.db2.gz DFBVCFWKCKDMNE-UHFFFAOYSA-N 0 0 407.380 3.292 50 0 HGAARN O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000049550915 568451943 /nfs/dbraw/zinc/45/19/43/568451943.db2.gz NUWOJXMXRWKQTO-MRXNPFEDSA-N 0 0 408.483 3.104 50 0 HGAARN CC(C)OC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)cc1 ZINC000049551092 568452061 /nfs/dbraw/zinc/45/20/61/568452061.db2.gz KAKQXFVUWFWFPB-UHFFFAOYSA-N 0 0 409.417 3.253 50 0 HGAARN CC(C)(CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)[NH+]1CCCCC1 ZINC000049590135 568453021 /nfs/dbraw/zinc/45/30/21/568453021.db2.gz BYERTFIWGYLFBM-UHFFFAOYSA-N 0 0 403.548 3.206 50 0 HGAARN Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(Cl)cc2)CS(=O)(=O)C3)c1 ZINC000005078087 568453696 /nfs/dbraw/zinc/45/36/96/568453696.db2.gz MVWMGEXEVIIBFD-UHFFFAOYSA-N 0 0 415.902 3.444 50 0 HGAARN O=C1c2ccccc2S(=O)(=O)N1Cc1csc(COc2ccc(F)cc2)n1 ZINC000014902263 568454338 /nfs/dbraw/zinc/45/43/38/568454338.db2.gz QIBACQOCTXSXCH-UHFFFAOYSA-N 0 0 404.444 3.206 50 0 HGAARN COc1ccc(N2C[C@H](NC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1OC ZINC000005202177 568455429 /nfs/dbraw/zinc/45/54/29/568455429.db2.gz SVZKLCYKGAWYCW-GFCCVEGCSA-N 0 0 407.829 3.423 50 0 HGAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccnn1C)C[C@H](CC)CC2 ZINC000000650487 568457924 /nfs/dbraw/zinc/45/79/24/568457924.db2.gz LLQUVORSLAKQQV-LLVKDONJSA-N 0 0 420.560 3.300 50 0 HGAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000021000036 568460869 /nfs/dbraw/zinc/46/08/69/568460869.db2.gz ZJSZGEIZLRTNAO-GFCCVEGCSA-N 0 0 413.421 3.391 50 0 HGAARN COc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1 ZINC000024757516 568461448 /nfs/dbraw/zinc/46/14/48/568461448.db2.gz CUASNOMHNUHEMD-STQMWFEESA-N 0 0 404.850 3.037 50 0 HGAARN COc1cc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c(OC)cc1Cl ZINC000024764010 568461778 /nfs/dbraw/zinc/46/17/78/568461778.db2.gz WQDFREHBIYSHIT-UHFFFAOYSA-N 0 0 407.879 3.384 50 0 HGAARN Cc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)s1 ZINC000021153724 568462056 /nfs/dbraw/zinc/46/20/56/568462056.db2.gz ZRVKLJDMDIDDMJ-HXUWFJFHSA-N 0 0 415.584 3.473 50 0 HGAARN COc1ccc2c(C)c(CCC(=O)Nc3cccc(C(=O)N(C)C)c3)c(=O)oc2c1 ZINC000021138278 568462135 /nfs/dbraw/zinc/46/21/35/568462135.db2.gz TZTPURWVFVKZMB-UHFFFAOYSA-N 0 0 408.454 3.383 50 0 HGAARN COc1ccc(NC(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)c(OC)c1 ZINC000012297050 568462870 /nfs/dbraw/zinc/46/28/70/568462870.db2.gz UIRFPLKCTHUBNV-UHFFFAOYSA-N 0 0 422.485 3.282 50 0 biogenic HGAARN CN(CCOC(=O)c1ccc(Cl)cc1Cl)C1=NS(=O)(=O)c2ccccc21 ZINC000000713648 568465000 /nfs/dbraw/zinc/46/50/00/568465000.db2.gz WYDIYKZUKMOFAJ-UHFFFAOYSA-N 0 0 413.282 3.231 50 0 HGAARN FC(F)(Cl)Oc1ccc(Nc2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1 ZINC000000720403 568466610 /nfs/dbraw/zinc/46/66/10/568466610.db2.gz AJTQUYALKCVCPN-UHFFFAOYSA-N 0 0 404.768 3.155 50 0 HGAARN Cc1cc(N2CCN([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)nc(C(C)C)n1 ZINC000024830052 568469861 /nfs/dbraw/zinc/46/98/61/568469861.db2.gz QADYMBOQPGQINC-HNNXBMFYSA-N 0 0 403.477 3.336 50 0 HGAARN CCn1nnc2cc(C(=O)OCc3cc4c(cc3Br)OCO4)ccc21 ZINC000007090388 568471095 /nfs/dbraw/zinc/47/10/95/568471095.db2.gz BKBAHPXJBZBRKG-UHFFFAOYSA-N 0 0 404.220 3.299 50 0 HGAARN O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccccn2)N1CCCc1ccccc1 ZINC000012323139 568471285 /nfs/dbraw/zinc/47/12/85/568471285.db2.gz OHFHLWCPEHZFDL-JTHBVZDNSA-N 0 0 408.523 3.363 50 0 HGAARN CCCNC(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000012336234 568473681 /nfs/dbraw/zinc/47/36/81/568473681.db2.gz SYFDCTXZINBLGO-ZDUSSCGKSA-N 0 0 414.424 3.016 50 0 HGAARN O=C(NC[C@H]1CCCO1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000780544 568474716 /nfs/dbraw/zinc/47/47/16/568474716.db2.gz WJORMUYJKBWZLY-NFBKMPQASA-N 0 0 410.539 3.412 50 0 HGAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2)c(OC(C)=O)c1 ZINC000000796453 568482163 /nfs/dbraw/zinc/48/21/63/568482163.db2.gz XGTMIQKOJPORTM-LJQANCHMSA-N 0 0 412.442 3.335 50 0 HGAARN C[C@@H](NC(=O)CSc1nnnn1-c1ccc(O)cc1)c1ccc2c(c1)CCCC2 ZINC000007834062 568485425 /nfs/dbraw/zinc/48/54/25/568485425.db2.gz UCQNNBXEFALWEU-CQSZACIVSA-N 0 0 409.515 3.216 50 0 HGAARN O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000008050748 568488729 /nfs/dbraw/zinc/48/87/29/568488729.db2.gz CBUSXVJLVONEKQ-CYBMUJFWSA-N 0 0 403.331 3.183 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000008071303 568489960 /nfs/dbraw/zinc/48/99/60/568489960.db2.gz YZQUTVQPIPOJSS-UHFFFAOYSA-N 0 0 415.515 3.096 50 0 HGAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccc(Cl)nc1 ZINC000604418467 568492819 /nfs/dbraw/zinc/49/28/19/568492819.db2.gz QVYDXXKLKAIXEI-FQEVSTJZSA-N 0 0 418.840 3.489 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568511853 /nfs/dbraw/zinc/51/18/53/568511853.db2.gz RUGLLDWGQKJHMT-GTHGGRLESA-N 0 0 424.545 3.125 50 0 HGAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(S(C)(=O)=O)sc3c2)c(C)c1 ZINC000033298952 568513121 /nfs/dbraw/zinc/51/31/21/568513121.db2.gz AMDYWOXSXORUGD-UHFFFAOYSA-N 0 0 410.542 3.426 50 0 HGAARN CCOCCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000033331696 568514038 /nfs/dbraw/zinc/51/40/38/568514038.db2.gz RRNGSMQMDUQLNB-NRFANRHFSA-N 0 0 403.548 3.403 50 0 HGAARN COc1ccc(C(=O)N2CCC[C@H]2COc2ccc(C(=O)NC3CC3)cc2)cc1F ZINC000033310712 568514195 /nfs/dbraw/zinc/51/41/95/568514195.db2.gz XOCCIIRWYQWAAS-SFHVURJKSA-N 0 0 412.461 3.410 50 0 HGAARN CS(=O)(=O)c1ccc([C@H](C[C@@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl ZINC000038939678 568583408 /nfs/dbraw/zinc/58/34/08/568583408.db2.gz XEANIURBPHCHMG-DOMZBBRYSA-N 0 0 421.906 3.015 50 0 HGAARN CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(Br)cc2)c1SC ZINC000019924492 568585751 /nfs/dbraw/zinc/58/57/51/568585751.db2.gz VEUWBMLGDHBXBX-UHFFFAOYSA-N 0 0 419.322 3.090 50 0 HGAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2c(C)cccc2C)CC1 ZINC000019999713 568586157 /nfs/dbraw/zinc/58/61/57/568586157.db2.gz QWISVBXTGHVGAZ-OAQYLSRUSA-N 0 0 412.530 3.077 50 0 HGAARN CCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(OC)cc2)N1 ZINC000020036682 568586687 /nfs/dbraw/zinc/58/66/87/568586687.db2.gz NICDUCJULYUMTG-KRWDZBQOSA-N 0 0 401.385 3.053 50 0 HGAARN CC(=O)Oc1cc2c(oc(C)c2C(=O)NCCCN2CCOCC2)c2ccccc12 ZINC000020069214 568587151 /nfs/dbraw/zinc/58/71/51/568587151.db2.gz TUUKCILMEFDYSV-UHFFFAOYSA-N 0 0 410.470 3.272 50 0 HGAARN Cc1ccc(N2C(=O)N[C@](NC(=O)CCc3ccccc3)(C(F)(F)F)C2=O)cc1 ZINC000020069903 568587172 /nfs/dbraw/zinc/58/71/72/568587172.db2.gz OYUPYNWAHNQLIC-IBGZPJMESA-N 0 0 405.376 3.263 50 0 HGAARN COc1ccc(CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC ZINC000020111746 568588621 /nfs/dbraw/zinc/58/86/21/568588621.db2.gz RHSXACKJDFTASK-QGZVFWFLSA-N 0 0 413.470 3.172 50 0 biogenic HGAARN Cc1cc(OC2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC2)nc(C)n1 ZINC000390827244 568591439 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0 0 418.405 3.463 50 0 HGAARN CCCOc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1OCC ZINC000003550569 568914986 /nfs/dbraw/zinc/91/49/86/568914986.db2.gz XJGCQVULCPWURU-UHFFFAOYSA-N 0 0 401.415 3.398 50 0 HGAARN O=C(Cn1c(=O)oc2ccccc21)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000003554175 568915198 /nfs/dbraw/zinc/91/51/98/568915198.db2.gz OKLBAGAHGMXMPN-UHFFFAOYSA-N 0 0 420.494 3.248 50 0 HGAARN COc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000003561931 568916045 /nfs/dbraw/zinc/91/60/45/568916045.db2.gz ZLUGNTXFROVAPT-ZDUSSCGKSA-N 0 0 409.533 3.276 50 0 HGAARN CN(CCCC(=O)Nc1cccc2cccnc21)S(=O)(=O)c1ccc(F)cc1 ZINC000012696245 568916737 /nfs/dbraw/zinc/91/67/37/568916737.db2.gz AMWHEOBHSCLYKI-UHFFFAOYSA-N 0 0 401.463 3.413 50 0 HGAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000012698580 568917021 /nfs/dbraw/zinc/91/70/21/568917021.db2.gz KOOBMYBGIJNCIR-INIZCTEOSA-N 0 0 419.481 3.144 50 0 HGAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000031175340 568917034 /nfs/dbraw/zinc/91/70/34/568917034.db2.gz RLWLMDVLNNGKQA-UHFFFAOYSA-N 0 0 401.417 3.391 50 0 HGAARN COc1ccccc1[C@H](C)NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000248377677 568917352 /nfs/dbraw/zinc/91/73/52/568917352.db2.gz HKFHYHNYMCTSKW-HPBDAGMYSA-N 0 0 418.559 3.169 50 0 HGAARN COC[C@H](C)n1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O ZINC000003590452 568918147 /nfs/dbraw/zinc/91/81/47/568918147.db2.gz IWKMBHVXNXMOBA-ZDUSSCGKSA-N 0 0 403.529 3.074 50 0 HGAARN CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 ZINC000004165895 568918934 /nfs/dbraw/zinc/91/89/34/568918934.db2.gz UUPDOQJLCIVPRY-UHFFFAOYSA-N 0 0 407.861 3.437 50 0 HGAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1cccc(F)c1 ZINC000004166508 568919201 /nfs/dbraw/zinc/91/92/01/568919201.db2.gz LQLZSCUJJZICBO-UHFFFAOYSA-N 0 0 412.425 3.279 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000031239130 568920263 /nfs/dbraw/zinc/92/02/63/568920263.db2.gz LPTNUCSJSXOWRA-MRXNPFEDSA-N 0 0 404.507 3.236 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3cccs3)on2)cc1 ZINC000012725369 568920723 /nfs/dbraw/zinc/92/07/23/568920723.db2.gz VYBUTJPQOQXARK-UHFFFAOYSA-N 0 0 419.528 3.364 50 0 HGAARN O=C(OCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCCN1c1ncccn1 ZINC000031272581 568921523 /nfs/dbraw/zinc/92/15/23/568921523.db2.gz WJQXZNJGRXRLDH-INIZCTEOSA-N 0 0 403.866 3.394 50 0 HGAARN CN(Cc1c(F)cccc1Cl)C(=O)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000025827361 568921532 /nfs/dbraw/zinc/92/15/32/568921532.db2.gz VLRYZMMRHWMERA-UHFFFAOYSA-N 0 0 417.912 3.332 50 0 HGAARN O=C(OCc1cc(-c2ccccc2)no1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000031276915 568921768 /nfs/dbraw/zinc/92/17/68/568921768.db2.gz ZYQDFMUTRKJBAM-UHFFFAOYSA-N 0 0 416.430 3.278 50 0 HGAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012730954 568922359 /nfs/dbraw/zinc/92/23/59/568922359.db2.gz HTDRRYBEJVPPSO-UHFFFAOYSA-N 0 0 400.485 3.469 50 0 HGAARN Cc1sc(-c2cnccn2)nc1OC(=O)c1ccc(S(C)(=O)=O)cc1Cl ZINC000001385761 568922378 /nfs/dbraw/zinc/92/23/78/568922378.db2.gz NHGRNZWIOXTVIN-UHFFFAOYSA-N 0 0 409.876 3.185 50 0 HGAARN O=C(NC1CCN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1)c1ccccc1 ZINC000025828802 568922553 /nfs/dbraw/zinc/92/25/53/568922553.db2.gz CSMOAGCSZXSOQL-UHFFFAOYSA-N 0 0 402.454 3.476 50 0 HGAARN O=C(CN(c1ccccn1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000001387457 568923009 /nfs/dbraw/zinc/92/30/09/568923009.db2.gz IETUOOAYHCSPJR-UHFFFAOYSA-N 0 0 421.400 3.333 50 0 HGAARN C[C@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000001388611 568923105 /nfs/dbraw/zinc/92/31/05/568923105.db2.gz RYXPMVVFTVNCTN-KRWDZBQOSA-N 0 0 402.299 3.298 50 0 HGAARN COC(=O)CCN(C[C@@H]1CCCO1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000083891234 568923550 /nfs/dbraw/zinc/92/35/50/568923550.db2.gz ZXGNTPUMMYLFIA-AWEZNQCLSA-N 0 0 410.396 3.106 50 0 HGAARN CS(=O)(=O)Nc1cc(NC(=O)c2cc(Br)ccc2F)ccc1F ZINC000012735413 568924443 /nfs/dbraw/zinc/92/44/43/568924443.db2.gz XIBVKPLLMMVALH-UHFFFAOYSA-N 0 0 405.220 3.351 50 0 HGAARN CC[C@H](C(=O)NCCn1c(C)nc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000031497963 568927080 /nfs/dbraw/zinc/92/70/80/568927080.db2.gz MDIKJSKEQLUJBN-GOSISDBHSA-N 0 0 423.908 3.419 50 0 HGAARN Cc1cc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)n(-c2ccccc2)n1 ZINC000031627156 568928628 /nfs/dbraw/zinc/92/86/28/568928628.db2.gz ILKZVYFXHVVMCS-UHFFFAOYSA-N 0 0 419.510 3.470 50 0 HGAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccnn1C1CCCC1 ZINC000031692109 568929256 /nfs/dbraw/zinc/92/92/56/568929256.db2.gz WGEFALKQAVYXHE-UHFFFAOYSA-N 0 0 416.279 3.109 50 0 HGAARN O=C1OCCN1c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000031720020 568929590 /nfs/dbraw/zinc/92/95/90/568929590.db2.gz JMNBWPJKAQQSOS-UHFFFAOYSA-N 0 0 402.350 3.343 50 0 HGAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000012745447 568931156 /nfs/dbraw/zinc/93/11/56/568931156.db2.gz VCMIGJCZJVKNRF-SNVBAGLBSA-N 0 0 422.304 3.173 50 0 HGAARN COC(=O)c1cc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc(C(=O)OC)c1 ZINC000012746099 568931355 /nfs/dbraw/zinc/93/13/55/568931355.db2.gz LGCNJKGUQRDGCM-UHFFFAOYSA-N 0 0 413.455 3.283 50 0 HGAARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)[C@H]3OC[C@H](O3)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000003999616 568932121 /nfs/dbraw/zinc/93/21/21/568932121.db2.gz FOFMYMLNDIOPSY-GFQYKCBFSA-N 0 0 407.853 3.364 50 0 biogenic HGAARN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N1CCc2ccccc2C1 ZINC000012746414 568932636 /nfs/dbraw/zinc/93/26/36/568932636.db2.gz AGHBUJDMIJVISF-UHFFFAOYSA-N 0 0 413.271 3.020 50 0 HGAARN COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(OC)c1 ZINC000004029310 568934211 /nfs/dbraw/zinc/93/42/11/568934211.db2.gz YLFOXWHTQSYROJ-IRXDYDNUSA-N 0 0 401.459 3.094 50 0 biogenic HGAARN CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1OC ZINC000004036248 568935312 /nfs/dbraw/zinc/93/53/12/568935312.db2.gz SYHPQMMCVUCOBN-GOSISDBHSA-N 0 0 401.488 3.154 50 0 HGAARN CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1OC ZINC000004036309 568935318 /nfs/dbraw/zinc/93/53/18/568935318.db2.gz RBAANQATZWEKKP-GOSISDBHSA-N 0 0 401.488 3.154 50 0 HGAARN Cc1ccc(C(=O)CN2C(=O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000004042280 568935840 /nfs/dbraw/zinc/93/58/40/568935840.db2.gz BOFBFXDHXOKVSB-UHFFFAOYSA-N 0 0 404.344 3.188 50 0 HGAARN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)n(-c2ncccn2)n1 ZINC000084105356 568937974 /nfs/dbraw/zinc/93/79/74/568937974.db2.gz BKKTXNPYRCUDSU-LBPRGKRZSA-N 0 0 402.252 3.139 50 0 HGAARN CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004073872 568938130 /nfs/dbraw/zinc/93/81/30/568938130.db2.gz UREXXQAEJYMHKC-OEJKEPOQSA-N 0 0 404.547 3.419 50 0 biogenic HGAARN COc1ccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)cc1 ZINC000001427141 568939394 /nfs/dbraw/zinc/93/93/94/568939394.db2.gz REECKKLIOHBMCU-UHFFFAOYSA-N 0 0 406.467 3.104 50 0 HGAARN CC(C)CNC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004084029 568939477 /nfs/dbraw/zinc/93/94/77/568939477.db2.gz LTWSILOUZFIBJB-MBSDFSHPSA-N 0 0 410.518 3.000 50 0 biogenic HGAARN Cc1coc2c1cc1c(C)c(CC(=O)NCCCN3CCCC3=O)c(=O)oc1c2C ZINC000004084392 568939641 /nfs/dbraw/zinc/93/96/41/568939641.db2.gz JHGJFDXSUQOABK-UHFFFAOYSA-N 0 0 410.470 3.136 50 0 biogenic HGAARN COc1ccc(OC)c(-c2nnc(NC(=O)Cc3ccc(OC)c(OC)c3)s2)c1 ZINC000004087726 568941030 /nfs/dbraw/zinc/94/10/30/568941030.db2.gz BAMGMCZUPNLOTE-UHFFFAOYSA-N 0 0 415.471 3.421 50 0 HGAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000019205646 568941093 /nfs/dbraw/zinc/94/10/93/568941093.db2.gz QSWXDIUWPDFSLF-UHFFFAOYSA-N 0 0 416.528 3.453 50 0 HGAARN CCc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@@H]4CCCO4)c12)OC(C)(C)CC3 ZINC000004089158 568941535 /nfs/dbraw/zinc/94/15/35/568941535.db2.gz CKCXYLNQPCMJKJ-HNNXBMFYSA-N 0 0 415.486 3.133 50 0 biogenic HGAARN COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000012752805 568941602 /nfs/dbraw/zinc/94/16/02/568941602.db2.gz FZSJYXHHDALHAD-NSHDSACASA-N 0 0 411.289 3.295 50 0 HGAARN O=C(Cn1c(=O)cnc2ccccc21)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000012758219 568943403 /nfs/dbraw/zinc/94/34/03/568943403.db2.gz LTWSFADDZQODLJ-DEOSSOPVSA-N 0 0 409.449 3.179 50 0 HGAARN COc1cc2nc(NC(=O)CCNC(=O)NC3CCCCC3)sc2cc1OC ZINC000012758208 568943539 /nfs/dbraw/zinc/94/35/39/568943539.db2.gz PUIAYBZGVGVHCI-UHFFFAOYSA-N 0 0 406.508 3.274 50 0 HGAARN COC(=O)c1ccc(C)c(NC(=O)CNc2ccccc2N2CCC(CO)CC2)c1 ZINC000084185784 568943914 /nfs/dbraw/zinc/94/39/14/568943914.db2.gz MWRGCWZIURHNJD-UHFFFAOYSA-N 0 0 411.502 3.041 50 0 HGAARN Cc1sc2ncn(Cc3csc(CC(=O)NCc4ccccc4)n3)c(=O)c2c1C ZINC000012759639 568943952 /nfs/dbraw/zinc/94/39/52/568943952.db2.gz OFJXYFPANBNYPR-UHFFFAOYSA-N 0 0 424.551 3.439 50 0 HGAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000012756969 568944298 /nfs/dbraw/zinc/94/42/98/568944298.db2.gz XPDHSRWGZNDKBW-UHFFFAOYSA-N 0 0 421.569 3.360 50 0 HGAARN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(N3CCCC3)nc2)c1C ZINC000084218680 568944684 /nfs/dbraw/zinc/94/46/84/568944684.db2.gz ZHBAGOAIDITFIX-LJQANCHMSA-N 0 0 410.543 3.452 50 0 HGAARN Cc1ccnc(NC(=O)C2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)c1 ZINC000084250809 568944971 /nfs/dbraw/zinc/94/49/71/568944971.db2.gz XDFKGSPFWSSJHN-UHFFFAOYSA-N 0 0 407.514 3.316 50 0 HGAARN Cc1csc([C@@](O)(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C(F)(F)F)n1 ZINC000084268123 568945467 /nfs/dbraw/zinc/94/54/67/568945467.db2.gz XKQAFJWPPUPPEW-PBHICJAKSA-N 0 0 418.412 3.331 50 0 HGAARN Fc1ccc(-n2ncc3c2ncnc3N[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000012764571 568947597 /nfs/dbraw/zinc/94/75/97/568947597.db2.gz JTQWYKMDFBSQEI-OAQYLSRUSA-N 0 0 418.476 3.440 50 0 HGAARN COc1ccc(C(=O)N(c2cccc(Cl)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000004165240 568947988 /nfs/dbraw/zinc/94/79/88/568947988.db2.gz WONRXIJCWHFTPO-HNNXBMFYSA-N 0 0 407.875 3.315 50 0 HGAARN CCOc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1S(=O)(=O)N(C)C ZINC000012766086 568948373 /nfs/dbraw/zinc/94/83/73/568948373.db2.gz ZHQYNQTWFCRQJU-UHFFFAOYSA-N 0 0 406.548 3.346 50 0 HGAARN CC(C)(C)c1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012767584 568949237 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Cc1ccccc1CNC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927721 569122934 /nfs/dbraw/zinc/12/29/34/569122934.db2.gz QMBAUBQARLFYQQ-UHFFFAOYSA-N 0 0 420.488 3.213 50 0 HGAARN CC(=O)c1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000006789313 569123401 /nfs/dbraw/zinc/12/34/01/569123401.db2.gz ROSZNEAQIVARLQ-UHFFFAOYSA-N 0 0 404.463 3.455 50 0 HGAARN Cc1cccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000064928116 569123403 /nfs/dbraw/zinc/12/34/03/569123403.db2.gz WMOKDPLDWFEPCP-UHFFFAOYSA-N 0 0 404.507 3.241 50 0 HGAARN O=C(Nc1cccc(F)c1)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928398 569123599 /nfs/dbraw/zinc/12/35/99/569123599.db2.gz IGSPOGSMOODULQ-HNNXBMFYSA-N 0 0 410.424 3.366 50 0 HGAARN Cc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928632 569123726 /nfs/dbraw/zinc/12/37/26/569123726.db2.gz HIQKKMIYTWSEGT-IBGZPJMESA-N 0 0 420.488 3.213 50 0 HGAARN Cc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccccc4C)CC3)ncn2)cc1 ZINC000064929208 569123794 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CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)Nc1ccc(F)cc1F)CC2 ZINC000065235398 569202337 /nfs/dbraw/zinc/20/23/37/569202337.db2.gz OJIXCVRKQBCLAW-UHFFFAOYSA-N 0 0 404.392 3.308 50 0 HGAARN O=C(NCc1cccc(F)c1)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2 ZINC000065235574 569202407 /nfs/dbraw/zinc/20/24/07/569202407.db2.gz QBVDXYJNNBBCPJ-UHFFFAOYSA-N 0 0 402.857 3.336 50 0 HGAARN CN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)NCc1cccc(F)c1)CC2 ZINC000065235561 569202420 /nfs/dbraw/zinc/20/24/20/569202420.db2.gz LVBXGWUCIPRSCW-UHFFFAOYSA-N 0 0 416.884 3.361 50 0 HGAARN CN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)NCc1ccc(F)cc1)CC2 ZINC000065235547 569202422 /nfs/dbraw/zinc/20/24/22/569202422.db2.gz WBGHRHYDUQXIRH-UHFFFAOYSA-N 0 0 416.884 3.361 50 0 HGAARN C=C1C(N2CCCN(C(=O)c3ccc(C)cc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239352 569203220 /nfs/dbraw/zinc/20/32/20/569203220.db2.gz MJWLHHBZGZGHLD-UHFFFAOYSA-N 0 0 423.538 3.316 50 0 HGAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1)C(=O)OC ZINC000036585741 569203228 /nfs/dbraw/zinc/20/32/28/569203228.db2.gz PJKHFXQCEFVQRK-IWEFOYFVSA-N 0 0 404.898 3.308 50 0 HGAARN C=C1C(N2CCCN(C(=O)C3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239401 569203350 /nfs/dbraw/zinc/20/33/50/569203350.db2.gz DBZJPPCPOKYAJP-UHFFFAOYSA-N 0 0 419.522 3.023 50 0 HGAARN Cc1c(C(=O)NCc2cccs2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065251503 569205819 /nfs/dbraw/zinc/20/58/19/569205819.db2.gz NRSGHHYYHKDZMF-UHFFFAOYSA-N 0 0 406.471 3.495 50 0 HGAARN COc1ccc2c(c1)[C@]1(CCN(C(=O)Cc3ccc(OC)c(Cl)c3)C1)C(=O)N2C ZINC000065249388 569205838 /nfs/dbraw/zinc/20/58/38/569205838.db2.gz MFUVWIDKCKNJDZ-JOCHJYFZSA-N 0 0 414.889 3.046 50 0 biogenic HGAARN COc1ccc2c(c1)[C@@]1(CCN(C(=O)Cc3ccc(OC)c(Cl)c3)C1)C(=O)N2C ZINC000065249389 569205855 /nfs/dbraw/zinc/20/58/55/569205855.db2.gz MFUVWIDKCKNJDZ-QFIPXVFZSA-N 0 0 414.889 3.046 50 0 biogenic HGAARN CCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1c(C)nn(CC)c1C ZINC000036614803 569206751 /nfs/dbraw/zinc/20/67/51/569206751.db2.gz QKJOGYRFQOTOEB-UHFFFAOYSA-N 0 0 403.508 3.171 50 0 HGAARN C[C@@H](NC(=O)Cc1nnc2cc(-c3nc(C4CC4)no3)ccn21)c1ccc(F)cc1 ZINC000065254497 569207051 /nfs/dbraw/zinc/20/70/51/569207051.db2.gz LXNFFMODFQTYKR-GFCCVEGCSA-N 0 0 406.421 3.216 50 0 HGAARN Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCN3CCOCC3)no2)cc1C ZINC000065255028 569207630 /nfs/dbraw/zinc/20/76/30/569207630.db2.gz LQDBQHZYUGJZNK-UHFFFAOYSA-N 0 0 404.474 3.097 50 0 HGAARN CCn1cc(CNC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)cn1 ZINC000036616859 569207806 /nfs/dbraw/zinc/20/78/06/569207806.db2.gz AQRYQPOMSXAAPP-UHFFFAOYSA-N 0 0 404.474 3.099 50 0 HGAARN COc1cccc(-c2cc(C(=O)N[C@H](C)c3ccn(C)n3)c3c(C)nn(C)c3n2)c1 ZINC000036616911 569207818 /nfs/dbraw/zinc/20/78/18/569207818.db2.gz DLBLAUYOOCUVKR-CYBMUJFWSA-N 0 0 404.474 3.177 50 0 HGAARN Cc1ccnn1C[C@H](C)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn21 ZINC000036618892 569210343 /nfs/dbraw/zinc/21/03/43/569210343.db2.gz IJBWSCWVAJIAAT-CYBMUJFWSA-N 0 0 409.881 3.016 50 0 HGAARN Cc1cc(C)n([C@H](C)CCNC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c32)n1 ZINC000036619029 569210414 /nfs/dbraw/zinc/21/04/14/569210414.db2.gz ZTHBDECSIFAYAW-CYBMUJFWSA-N 0 0 407.478 3.126 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)cc1OC ZINC000065259632 569210601 /nfs/dbraw/zinc/21/06/01/569210601.db2.gz UKXBZELSIHMNMU-KRWDZBQOSA-N 0 0 422.547 3.017 50 0 biogenic HGAARN O=C(NCc1cccnc1)[C@@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259850 569210726 /nfs/dbraw/zinc/21/07/26/569210726.db2.gz DFQGSUWSYREDPB-KRWDZBQOSA-N 0 0 419.572 3.031 50 0 biogenic HGAARN O=C(NCc1cccs1)[C@@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259791 569210751 /nfs/dbraw/zinc/21/07/51/569210751.db2.gz PPKFLGAQSZTMPQ-SFHVURJKSA-N 0 0 419.572 3.031 50 0 biogenic HGAARN CCc1cccc2c(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)c[nH]c21 ZINC000007045989 569211003 /nfs/dbraw/zinc/21/10/03/569211003.db2.gz XXLQNGDNMOELBC-GFCCVEGCSA-N 0 0 419.528 3.066 50 0 HGAARN COc1ccccc1-c1noc(COC(=O)C[C@@H]2Sc3ccccc3NC2=O)n1 ZINC000007047728 569211270 /nfs/dbraw/zinc/21/12/70/569211270.db2.gz MQVVKXAWAXSWOF-INIZCTEOSA-N 0 0 411.439 3.292 50 0 HGAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(C(=O)C4CC4)CC3)c2n1 ZINC000169945188 569211851 /nfs/dbraw/zinc/21/18/51/569211851.db2.gz UUMUDCKHZFYLQC-UHFFFAOYSA-N 0 0 422.312 3.310 50 0 HGAARN COc1ccc(C(=O)N(C)Cc2ccco2)cc1S(=O)(=O)N1CCCCCC1 ZINC000036620216 569211890 /nfs/dbraw/zinc/21/18/90/569211890.db2.gz MUHHVXNIMSUYKX-UHFFFAOYSA-N 0 0 406.504 3.125 50 0 HGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCn1ccc2ccccc21 ZINC000524729801 569211914 /nfs/dbraw/zinc/21/19/14/569211914.db2.gz JRKBDUNIJWWTHE-VNZMSGEBSA-N 0 0 403.482 3.258 50 0 biogenic HGAARN O=S(=O)(NC[C@@H]1Cc2ccccc2O1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000065264107 569212211 /nfs/dbraw/zinc/21/22/11/569212211.db2.gz IWRDCOPWDVLIKH-KRWDZBQOSA-N 0 0 407.438 3.498 50 0 HGAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nc2ccccc2s1 ZINC000036621816 569212280 /nfs/dbraw/zinc/21/22/80/569212280.db2.gz NPNHRSMWSSTTSB-SFHVURJKSA-N 0 0 421.519 3.055 50 0 HGAARN CCn1c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2n2nccc2c1=O ZINC000065270847 569213432 /nfs/dbraw/zinc/21/34/32/569213432.db2.gz VDDRYXMAXPTEPP-UHFFFAOYSA-N 0 0 404.470 3.386 50 0 HGAARN COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H]1CCCN(c3nc(C)cc(C)n3)C1)CC2 ZINC000524734017 569213981 /nfs/dbraw/zinc/21/39/81/569213981.db2.gz NWEYKBDZPHWNDE-IEBWSBKVSA-N 0 0 410.518 3.131 50 0 HGAARN COCCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1 ZINC000065272056 569215540 /nfs/dbraw/zinc/21/55/40/569215540.db2.gz QAEOJUCKSYFPSG-UHFFFAOYSA-N 0 0 414.506 3.476 50 0 HGAARN O=C(C1CCN(c2nc3ccc(-c4cccs4)nc3s2)CC1)N1CCOCC1 ZINC000065272208 569215683 /nfs/dbraw/zinc/21/56/83/569215683.db2.gz RGVXZFXHOFKWLD-UHFFFAOYSA-N 0 0 414.556 3.495 50 0 HGAARN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272723 569215859 /nfs/dbraw/zinc/21/58/59/569215859.db2.gz RXFIRWLDZQNYJB-KRWDZBQOSA-N 0 0 410.539 3.453 50 0 HGAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cc(C)cc(C)c2)CC3)CC1 ZINC000065273254 569216066 /nfs/dbraw/zinc/21/60/66/569216066.db2.gz ULPMLZCHKCPFAN-QGZVFWFLSA-N 0 0 412.559 3.172 50 0 HGAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(Cl)c2)CC3)CC1 ZINC000065273297 569216074 /nfs/dbraw/zinc/21/60/74/569216074.db2.gz RNAYKSXRVLJWEN-AWEZNQCLSA-N 0 0 418.950 3.209 50 0 HGAARN Cc1scc2nc(C(=O)NCc3ccccc3Cl)nc(N3CCOCC3)c12 ZINC000065283302 569216540 /nfs/dbraw/zinc/21/65/40/569216540.db2.gz AFSACUHFZYZYIW-UHFFFAOYSA-N 0 0 402.907 3.420 50 0 HGAARN Cc1nn(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2c1cnn2C(C)(C)C ZINC000036665599 569217306 /nfs/dbraw/zinc/21/73/06/569217306.db2.gz BKGPOKYWSASKKX-UHFFFAOYSA-N 0 0 421.545 3.138 50 0 HGAARN COCCn1c(Cc2ccccc2)nnc1SCc1cc(=O)n2c(C)cccc2n1 ZINC000007090474 569217742 /nfs/dbraw/zinc/21/77/42/569217742.db2.gz MAZWEFRVGFEPJZ-UHFFFAOYSA-N 0 0 421.526 3.124 50 0 HGAARN Cn1c(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nn2c2ccccc21 ZINC000065292241 569218096 /nfs/dbraw/zinc/21/80/96/569218096.db2.gz YNRHHHHOUALCNT-UHFFFAOYSA-N 0 0 400.360 3.135 50 0 HGAARN Cc1cccc(CC(=O)N2CCCN([C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293328 569218382 /nfs/dbraw/zinc/21/83/82/569218382.db2.gz JTIDMDHWGAWBIT-QHCPKHFHSA-N 0 0 423.532 3.012 50 0 HGAARN O=C(Cn1ncc2c1ncnc2N1CCCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000065295042 569218659 /nfs/dbraw/zinc/21/86/59/569218659.db2.gz YBWZFAKQCXFVKM-UHFFFAOYSA-N 0 0 418.545 3.298 50 0 HGAARN O=C(c1ccn2c(c1)nnc2-c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1 ZINC000065296743 569219037 /nfs/dbraw/zinc/21/90/37/569219037.db2.gz ALUHOLNDFRMNAU-UHFFFAOYSA-N 0 0 418.888 3.407 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)n2c(Nc2ccccc2)n1 ZINC000065307766 569219878 /nfs/dbraw/zinc/21/98/78/569219878.db2.gz RVRUTAROPZFTCX-UHFFFAOYSA-N 0 0 408.849 3.235 50 0 HGAARN Cc1ccc(Nc2ccn3c(nn(CC(=O)Nc4ccc(C)cc4C)c3=O)n2)cc1 ZINC000065308084 569220103 /nfs/dbraw/zinc/22/01/03/569220103.db2.gz CJQPASPGRHXNCQ-UHFFFAOYSA-N 0 0 402.458 3.199 50 0 HGAARN CC(C)Oc1ccc(C(=O)Nc2cc(C(=O)N3CCCCCC3)cn(C)c2=O)cc1 ZINC000036685892 569220246 /nfs/dbraw/zinc/22/02/46/569220246.db2.gz MCTHLJJYGGBIDN-UHFFFAOYSA-N 0 0 411.502 3.441 50 0 HGAARN CC(C)c1ccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)cc1 ZINC000065304951 569220375 /nfs/dbraw/zinc/22/03/75/569220375.db2.gz FOXQZCLWOBJKLD-UHFFFAOYSA-N 0 0 419.522 3.340 50 0 HGAARN CCN(CC)c1nc2cc(C(=O)OC)ccc2c(=O)n1-c1cc(OC)cc(OC)c1 ZINC000065306678 569220650 /nfs/dbraw/zinc/22/06/50/569220650.db2.gz FTGLGEYIROFIDR-UHFFFAOYSA-N 0 0 411.458 3.036 50 0 HGAARN O=C(NCc1cccs1)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O ZINC000065307168 569220898 /nfs/dbraw/zinc/22/08/98/569220898.db2.gz KAWDKTGQUQJIPY-UHFFFAOYSA-N 0 0 417.494 3.079 50 0 HGAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312231 569221201 /nfs/dbraw/zinc/22/12/01/569221201.db2.gz KCKJDDBSAFZQID-ZDUSSCGKSA-N 0 0 405.380 3.483 50 0 HGAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](C)CC)C2)cc1 ZINC000065315385 569221747 /nfs/dbraw/zinc/22/17/47/569221747.db2.gz MMFFDBYWTQEJNT-CVEARBPZSA-N 0 0 403.527 3.377 50 0 HGAARN COc1ccccc1C(=O)N1CCCN(c2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000065313134 569222322 /nfs/dbraw/zinc/22/23/22/569222322.db2.gz VHBBYJDRCFIBTH-UHFFFAOYSA-N 0 0 419.407 3.109 50 0 HGAARN O=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000036700410 569222843 /nfs/dbraw/zinc/22/28/43/569222843.db2.gz HREACJLTMVSBDG-IBGZPJMESA-N 0 0 410.486 3.097 50 0 HGAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)c1 ZINC000065313967 569223000 /nfs/dbraw/zinc/22/30/00/569223000.db2.gz ROLMGMDCMKKOJS-HXUWFJFHSA-N 0 0 402.498 3.455 50 0 HGAARN O=C(c1ccco1)N1CCN(c2nc(=O)c3scc(-c4ccc(F)cc4)c3[nH]2)CC1 ZINC000065314516 569223197 /nfs/dbraw/zinc/22/31/97/569223197.db2.gz IYLWMKQWVLBZBR-UHFFFAOYSA-N 0 0 424.457 3.346 50 0 HGAARN COc1ccccc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000065315141 569223469 /nfs/dbraw/zinc/22/34/69/569223469.db2.gz KLDCBWBIGOFECT-UHFFFAOYSA-N 0 0 417.531 3.308 50 0 HGAARN CC(C)n1c(SCC(=O)NC2CCCC2)nc2nc(N3CCCC3)sc2c1=O ZINC000065320012 569223558 /nfs/dbraw/zinc/22/35/58/569223558.db2.gz KVOVIDWYWCMJMZ-UHFFFAOYSA-N 0 0 421.592 3.185 50 0 HGAARN CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccco1)c1cccs1 ZINC000238815250 569224233 /nfs/dbraw/zinc/22/42/33/569224233.db2.gz BHKIKFQCDFOSDQ-LJQANCHMSA-N 0 0 402.497 3.054 50 0 HGAARN COCCCN(Cc1ccco1)C(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21 ZINC000065329717 569224859 /nfs/dbraw/zinc/22/48/59/569224859.db2.gz UGEIUSWCXCNUME-UHFFFAOYSA-N 0 0 401.463 3.226 50 0 HGAARN COc1ccccc1CN(C)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000007158988 569225985 /nfs/dbraw/zinc/22/59/85/569225985.db2.gz SQOQCRJJNVHPQG-UHFFFAOYSA-N 0 0 405.380 3.026 50 0 HGAARN O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cccnc1N1CCCC1 ZINC000036735133 569226480 /nfs/dbraw/zinc/22/64/80/569226480.db2.gz GDIRRBHHETWUSE-UHFFFAOYSA-N 0 0 419.235 3.444 50 0 HGAARN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000007178421 569227403 /nfs/dbraw/zinc/22/74/03/569227403.db2.gz PCIYDQUUHKXNSO-NSHDSACASA-N 0 0 402.501 3.161 50 0 HGAARN COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000007178422 569227426 /nfs/dbraw/zinc/22/74/26/569227426.db2.gz PCIYDQUUHKXNSO-LLVKDONJSA-N 0 0 402.501 3.161 50 0 HGAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N1CC=C(c2ccccc2)CC1 ZINC000007185407 569227645 /nfs/dbraw/zinc/22/76/45/569227645.db2.gz MZPJKFGIAHDHIM-VWLOTQADSA-N 0 0 415.493 3.086 50 0 HGAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)OC[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000007210747 569228879 /nfs/dbraw/zinc/22/88/79/569228879.db2.gz NENMJEDYFNOUFQ-CQSZACIVSA-N 0 0 406.331 3.458 50 0 HGAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(C2CC2)n1C ZINC000007235143 569230000 /nfs/dbraw/zinc/23/00/00/569230000.db2.gz AJBKPEHWHXRQSZ-UHFFFAOYSA-N 0 0 402.911 3.477 50 0 HGAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000007268082 569231098 /nfs/dbraw/zinc/23/10/98/569231098.db2.gz AKWMIUHADNNZNE-HNNXBMFYSA-N 0 0 418.335 3.333 50 0 HGAARN NC(=O)[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(Br)cc1 ZINC000065474434 569231350 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CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Cl)c1 ZINC000001050810 569277079 /nfs/dbraw/zinc/27/70/79/569277079.db2.gz SQFJGASYNRAOSI-UHFFFAOYSA-N 0 0 400.859 3.183 50 0 HGAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000017200562 569276664 /nfs/dbraw/zinc/27/66/64/569276664.db2.gz PQAOTCGBWCMCFB-NRFANRHFSA-N 0 0 401.466 3.340 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(SC)c3)C2)cc1 ZINC000001076146 569277191 /nfs/dbraw/zinc/27/71/91/569277191.db2.gz UZHRSAPWZBJACI-HNNXBMFYSA-N 0 0 420.556 3.457 50 0 HGAARN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)cs2)no1 ZINC000006681404 569280046 /nfs/dbraw/zinc/28/00/46/569280046.db2.gz VAAFRUKATSOEJX-UHFFFAOYSA-N 0 0 403.485 3.044 50 0 HGAARN CC1(C)[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)[C@@H]2CCO[C@@H]21 ZINC000170638233 569280263 /nfs/dbraw/zinc/28/02/63/569280263.db2.gz ITZGSEQZYVSEFW-XKQJLSEDSA-N 0 0 413.440 3.477 50 0 HGAARN O=C1CN(C[C@@H]2CCCO2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002091992 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CCOc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2)[C@H](C)C1=O ZINC000037521727 569303028 /nfs/dbraw/zinc/30/30/28/569303028.db2.gz OVKLSGSGUGZGGD-OAHLLOKOSA-N 0 0 402.878 3.381 50 0 HGAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1c(C)onc1-c1ccccc1 ZINC000007738548 569305251 /nfs/dbraw/zinc/30/52/51/569305251.db2.gz GZDHMIZXZRRPLG-UHFFFAOYSA-N 0 0 418.453 3.175 50 0 HGAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000007738557 569305259 /nfs/dbraw/zinc/30/52/59/569305259.db2.gz GTQYQMDJTBNHDL-UHFFFAOYSA-N 0 0 417.469 3.423 50 0 HGAARN CCCCCC[C@@]1(C)NC(=O)N(CC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)C1=O ZINC000007737881 569305622 /nfs/dbraw/zinc/30/56/22/569305622.db2.gz HNLXUTRAMPHDOC-OAQYLSRUSA-N 0 0 405.495 3.272 50 0 HGAARN CSc1nc2nc(C)c(CCC(=O)O[C@H](C)C(=O)c3ccc(F)cc3)c(C)n2n1 ZINC000007743844 569306184 /nfs/dbraw/zinc/30/61/84/569306184.db2.gz DGZTXEJOCLNHEL-CYBMUJFWSA-N 0 0 416.478 3.349 50 0 HGAARN COc1ccc(-n2c3ncn(Cc4ccc(C)cc4)c3c(=O)n(CC(C)C)c2=O)cc1 ZINC000037559097 569306661 /nfs/dbraw/zinc/30/66/61/569306661.db2.gz ITBOGMVXMDAOKN-UHFFFAOYSA-N 0 0 418.497 3.370 50 0 HGAARN O=S(=O)(c1ccc(Oc2ncnc3c4ccccc4oc32)cc1)N1CCOCC1 ZINC000007779841 569309414 /nfs/dbraw/zinc/30/94/14/569309414.db2.gz VFLMFRJMWVUQRS-UHFFFAOYSA-N 0 0 411.439 3.189 50 0 HGAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000007805739 569311900 /nfs/dbraw/zinc/31/19/00/569311900.db2.gz SCEYZGIQLSHYMX-UHFFFAOYSA-N 0 0 412.433 3.161 50 0 HGAARN Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000007805744 569311922 /nfs/dbraw/zinc/31/19/22/569311922.db2.gz JQHDQTQLAMFCSM-UHFFFAOYSA-N 0 0 412.433 3.161 50 0 HGAARN CCOC(=O)c1sc(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)nc1C ZINC000007813970 569312437 /nfs/dbraw/zinc/31/24/37/569312437.db2.gz BHLDRHJAUCVNIO-CQSZACIVSA-N 0 0 407.467 3.160 50 0 HGAARN CC1CCN(Cc2nc3sc4c(c3c(NCCN3CCOCC3)n2)CCC4)CC1 ZINC000007814127 569312451 /nfs/dbraw/zinc/31/24/51/569312451.db2.gz KYKOIINZIMLFGK-UHFFFAOYSA-N 0 0 415.607 3.156 50 0 HGAARN CCOC(=O)c1sc(NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)nc1C ZINC000007813971 569312473 /nfs/dbraw/zinc/31/24/73/569312473.db2.gz BHLDRHJAUCVNIO-AWEZNQCLSA-N 0 0 407.467 3.160 50 0 HGAARN COc1cc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc2c1OCO2 ZINC000066089682 569314431 /nfs/dbraw/zinc/31/44/31/569314431.db2.gz REVZSRBEGFVOMJ-AWEZNQCLSA-N 0 0 410.451 3.384 50 0 HGAARN Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000007875086 569315018 /nfs/dbraw/zinc/31/50/18/569315018.db2.gz ADRZVFWSBBDAOP-UHFFFAOYSA-N 0 0 409.486 3.321 50 0 HGAARN Cc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(Cl)cc12 ZINC000004073190 569321390 /nfs/dbraw/zinc/32/13/90/569321390.db2.gz BTQSOPJJNTXHCY-QKKBWIMNSA-N 0 0 405.878 3.287 50 0 biogenic HGAARN O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CC=C(c2ccccc2)CC1 ZINC000002952359 569322480 /nfs/dbraw/zinc/32/24/80/569322480.db2.gz FVHABSJYEHNATM-UHFFFAOYSA-N 0 0 403.482 3.176 50 0 HGAARN O=C(CCCCc1nc2ccccc2s1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054827582 569324331 /nfs/dbraw/zinc/32/43/31/569324331.db2.gz HGFQHTOWELZLHT-QGZVFWFLSA-N 0 0 415.559 3.107 50 0 HGAARN C[C@]12CC(=O)[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000003882026 569356918 /nfs/dbraw/zinc/35/69/18/569356918.db2.gz ZQDVAXPMAQYWLD-ITRRYRFESA-N 0 0 404.503 3.221 50 0 biogenic HGAARN COCCn1c(C)cc(C)c(C(=O)N[C@H]2CCCc3c4cc(OC)ccc4[nH]c32)c1=O ZINC000253413309 569366678 /nfs/dbraw/zinc/36/66/78/569366678.db2.gz ULGFGIIICGLWCO-FQEVSTJZSA-N 0 0 423.513 3.409 50 0 biogenic HGAARN CCS(=O)(=O)N(C)C1CCN(C(=O)CC[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000253418534 569367699 /nfs/dbraw/zinc/36/76/99/569367699.db2.gz VVYPNRGTIJRDPC-HXUWFJFHSA-N 0 0 424.607 3.070 50 0 HGAARN CNC(=O)c1ccc(CS(=O)(=O)Nc2cc(Br)c(F)cc2F)cc1 ZINC000253424530 569368112 /nfs/dbraw/zinc/36/81/12/569368112.db2.gz HOWDVRDOCCTGCY-UHFFFAOYSA-N 0 0 419.247 3.029 50 0 HGAARN CCCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(OC)c(OC)c1 ZINC000002331259 569375747 /nfs/dbraw/zinc/37/57/47/569375747.db2.gz PINKWXQFWJSDAR-UYRXBGFRSA-N 0 0 421.497 3.493 50 0 HGAARN COc1ccc(-n2c(=O)c3cc(I)ccc3[nH]c2=S)cc1 ZINC000002343355 569376511 /nfs/dbraw/zinc/37/65/11/569376511.db2.gz HMMKOULSCCJXLR-UHFFFAOYSA-N 0 0 410.236 3.288 50 0 HGAARN COC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ncc(C)s1)C(F)(F)F ZINC000002348314 569380540 /nfs/dbraw/zinc/38/05/40/569380540.db2.gz MBPOIUHGUCSIEF-CQSZACIVSA-N 0 0 407.801 3.378 50 0 HGAARN O=C(NCCn1cc(-c2ccccc2)cn1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000253471505 569381065 /nfs/dbraw/zinc/38/10/65/569381065.db2.gz CZLMNMMVWCMYQP-QGZVFWFLSA-N 0 0 408.889 3.373 50 0 HGAARN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cncc(Br)c1 ZINC000253473125 569381463 /nfs/dbraw/zinc/38/14/63/569381463.db2.gz RMNFOEYXZZLZSH-CYBMUJFWSA-N 0 0 415.213 3.267 50 0 HGAARN O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)N1CC(N2C(=O)CNC2=O)C1 ZINC000253473575 569381556 /nfs/dbraw/zinc/38/15/56/569381556.db2.gz WMNPNIDKKHVMOD-UHFFFAOYSA-N 0 0 404.253 3.037 50 0 HGAARN O=C(Cc1c(F)cccc1Cl)N1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000253537682 569382931 /nfs/dbraw/zinc/38/29/31/569382931.db2.gz IAACWIAXUXKPMB-UHFFFAOYSA-N 0 0 421.881 3.362 50 0 HGAARN COc1ccc(Cl)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000253537734 569382959 /nfs/dbraw/zinc/38/29/59/569382959.db2.gz USPXKVADYRXCPT-UHFFFAOYSA-N 0 0 419.890 3.303 50 0 HGAARN O=C(Nc1ccc(N2CCOCC2)nc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000055080042 569385730 /nfs/dbraw/zinc/38/57/30/569385730.db2.gz BPLNLKMXIKZJAH-MRXNPFEDSA-N 0 0 406.490 3.206 50 0 HGAARN CC(C)OCCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002367205 569388250 /nfs/dbraw/zinc/38/82/50/569388250.db2.gz IPCOBFCCYGVYGO-UHFFFAOYSA-N 0 0 412.515 3.418 50 0 HGAARN O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000253409613 569388958 /nfs/dbraw/zinc/38/89/58/569388958.db2.gz MCNZGGDYLGBSEO-FQEVSTJZSA-N 0 0 401.470 3.417 50 0 HGAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1Cl ZINC000002371751 569389017 /nfs/dbraw/zinc/38/90/17/569389017.db2.gz JNIZKNQEHRSFIB-UHFFFAOYSA-N 0 0 419.894 3.060 50 0 HGAARN O=c1/c(=C/c2ccc(Br)cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002388264 569392529 /nfs/dbraw/zinc/39/25/29/569392529.db2.gz JWTCPJAFVCKSSR-ZROIWOOFSA-N 0 0 402.248 3.267 50 0 HGAARN Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCCC1 ZINC000002393433 569394150 /nfs/dbraw/zinc/39/41/50/569394150.db2.gz QNWMYZJZZBRFPI-UHFFFAOYSA-N 0 0 407.499 3.346 50 0 HGAARN CN(C)C(=O)CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000002394157 569394155 /nfs/dbraw/zinc/39/41/55/569394155.db2.gz LSIPGFNXZVWSMT-AWEZNQCLSA-N 0 0 406.508 3.058 50 0 HGAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OCC)n2N)cc1 ZINC000002409311 569396469 /nfs/dbraw/zinc/39/64/69/569396469.db2.gz DXQUBLZPPUWCGI-UHFFFAOYSA-N 0 0 413.503 3.187 50 0 HGAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1 ZINC000027823671 569397551 /nfs/dbraw/zinc/39/75/51/569397551.db2.gz GMNIYBLDQUSIJX-UHFFFAOYSA-N 0 0 401.699 3.110 50 0 HGAARN C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000002422981 569398279 /nfs/dbraw/zinc/39/82/79/569398279.db2.gz JPQAQNNEIFKPRM-JTQLQIEISA-N 0 0 401.872 3.283 50 0 HGAARN CCOC(=O)[C@@H]1[C@H](c2cccc(Cl)c2Cl)NC(=O)N(C)[C@@]1(O)C(F)(F)F ZINC000011859213 569399108 /nfs/dbraw/zinc/39/91/08/569399108.db2.gz PNSNPZMMVZBGOH-CHIMOYNISA-N 0 0 415.195 3.120 50 0 HGAARN COc1ccc(OC)c(NC(=O)CSc2nncc3ccc(OC)c(OC)c32)c1 ZINC000002432222 569399302 /nfs/dbraw/zinc/39/93/02/569399302.db2.gz UWBRBICAACHGPT-UHFFFAOYSA-N 0 0 415.471 3.395 50 0 HGAARN CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCO)ccc1O ZINC000002438329 569399996 /nfs/dbraw/zinc/39/99/96/569399996.db2.gz UIWYISFIAZNTBL-HXUWFJFHSA-N 0 0 423.465 3.442 50 0 HGAARN COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 ZINC000012823919 569403862 /nfs/dbraw/zinc/40/38/62/569403862.db2.gz VVBGJVGJDJGWLC-UHFFFAOYSA-N 0 0 402.516 3.297 50 0 HGAARN C[C@@H](Sc1ccccc1)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012936461 569405036 /nfs/dbraw/zinc/40/50/36/569405036.db2.gz OZSZFFWFLIZVQY-JKSUJKDBSA-N 0 0 411.527 3.390 50 0 HGAARN CN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012945661 569405122 /nfs/dbraw/zinc/40/51/22/569405122.db2.gz KYHJTBZKXLCNRN-CSKARUKUSA-N 0 0 406.482 3.326 50 0 HGAARN CNC(=O)c1ccc(/C=C/C(=O)Nc2ccccc2I)cc1 ZINC000012980304 569405884 /nfs/dbraw/zinc/40/58/84/569405884.db2.gz XCAACYQMCQBRKD-DHZHZOJOSA-N 0 0 406.223 3.303 50 0 HGAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)OCCOc1ccc(F)cc1 ZINC000012988759 569406211 /nfs/dbraw/zinc/40/62/11/569406211.db2.gz SCTAMTUCDKFUHS-LJQANCHMSA-N 0 0 421.490 3.065 50 0 HGAARN COc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1S(=O)(=O)NC1CC1 ZINC000013002020 569406416 /nfs/dbraw/zinc/40/64/16/569406416.db2.gz OGNNOBRDJZQEMW-UHFFFAOYSA-N 0 0 408.907 3.062 50 0 HGAARN O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000013152575 569410213 /nfs/dbraw/zinc/41/02/13/569410213.db2.gz GQEXNXBLUGZYMF-GFCCVEGCSA-N 0 0 416.530 3.207 50 0 HGAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1 ZINC000002457026 569412375 /nfs/dbraw/zinc/41/23/75/569412375.db2.gz RAJKRFNBQKIBAR-CQSZACIVSA-N 0 0 424.548 3.138 50 0 HGAARN Cc1nn2c(nc(COc3cccc(NC(=O)c4ccccc4F)c3)cc2=O)s1 ZINC000013367842 569412398 /nfs/dbraw/zinc/41/23/98/569412398.db2.gz BWUQQXKUZBHEHF-UHFFFAOYSA-N 0 0 410.430 3.430 50 0 HGAARN Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)c(F)c2)cc1 ZINC000078610078 569414465 /nfs/dbraw/zinc/41/44/65/569414465.db2.gz DONJCLYIJWVEKB-UHFFFAOYSA-N 0 0 418.472 3.257 50 0 HGAARN COC(=O)c1cnc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(Cl)c1 ZINC000328594134 569415584 /nfs/dbraw/zinc/41/55/84/569415584.db2.gz TZERGCKPSDTVEQ-UHFFFAOYSA-N 0 0 408.785 3.427 50 0 HGAARN O[C@H](CCN1CCO[C@H](c2ccsc2)C1)CN1CCO[C@@H](c2ccsc2)C1 ZINC000328596198 569416028 /nfs/dbraw/zinc/41/60/28/569416028.db2.gz WPAMOHNRYZBFAG-HSALFYBXSA-N 0 0 408.589 3.007 50 0 HGAARN CC1(C)C[C@H](C2N3CC4(c5ccccc5)CN2CC(c2ccccc2)(C3)C4O)CCO1 ZINC000019331526 569419913 /nfs/dbraw/zinc/41/99/13/569419913.db2.gz SKLWFEQPZRPBDH-ICUVJHSQSA-N 0 0 418.581 3.399 50 0 biogenic HGAARN Cc1csc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000078802948 569420346 /nfs/dbraw/zinc/42/03/46/569420346.db2.gz LYPYWBPKIJOERJ-UHFFFAOYSA-N 0 0 406.360 3.265 50 0 HGAARN O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N[C@H]2CCc3ccccc32)C1 ZINC000078876420 569421199 /nfs/dbraw/zinc/42/11/99/569421199.db2.gz YBMKDDYMCUSUAF-CTNGQTDRSA-N 0 0 414.527 3.395 50 0 HGAARN CN(CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C(=O)c1cccs1 ZINC000078877542 569421219 /nfs/dbraw/zinc/42/12/19/569421219.db2.gz CYKUXIKCLVBMAN-GJZGRUSLSA-N 0 0 409.552 3.020 50 0 HGAARN CCO[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C12CCCCC2 ZINC000078878982 569421321 /nfs/dbraw/zinc/42/13/21/569421321.db2.gz YIUULACTONHGIB-RTBURBONSA-N 0 0 424.563 3.230 50 0 HGAARN CN(C[C@@H]1CCCN1C(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)OC(C)(C)C ZINC000078935051 569421758 /nfs/dbraw/zinc/42/17/58/569421758.db2.gz QNUMKCKNARZSMU-YOEHRIQHSA-N 0 0 419.547 3.347 50 0 HGAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCOc2ccc(Cl)cc21 ZINC000078947658 569421913 /nfs/dbraw/zinc/42/19/13/569421913.db2.gz BEJGKWGUCUDTKR-UHFFFAOYSA-N 0 0 408.285 3.289 50 0 HGAARN C[C@@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1=O ZINC000078958538 569422235 /nfs/dbraw/zinc/42/22/35/569422235.db2.gz RDHXDSHHVVTDDH-DLBZAZTESA-N 0 0 414.527 3.460 50 0 HGAARN CN(Cc1ccccc1F)C(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000078968836 569422492 /nfs/dbraw/zinc/42/24/92/569422492.db2.gz OCWBDWZFNRNUEY-UHFFFAOYSA-N 0 0 418.900 3.287 50 0 HGAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(C(N)=O)o1 ZINC000078985838 569422932 /nfs/dbraw/zinc/42/29/32/569422932.db2.gz RCJMWAQIYJBICJ-UHFFFAOYSA-N 0 0 400.438 3.470 50 0 HGAARN CC(=O)N[C@@](C)(C(=O)OCc1cnn(Cc2ccc(Br)cc2)c1)C1CC1 ZINC000078988969 569422961 /nfs/dbraw/zinc/42/29/61/569422961.db2.gz IGFXKKQVODNROE-LJQANCHMSA-N 0 0 420.307 3.042 50 0 HGAARN CC(C)CCN(CCC(C)C)S(=O)(=O)Nc1ccccc1NS(C)(=O)=O ZINC000079001775 569423544 /nfs/dbraw/zinc/42/35/44/569423544.db2.gz BWIPTPYSGYSZDD-UHFFFAOYSA-N 0 0 405.586 3.109 50 0 HGAARN CN(C)C(=O)COc1cccc(CNc2ccnc(C(=O)NCc3ccccc3)c2)c1 ZINC000079002369 569423567 /nfs/dbraw/zinc/42/35/67/569423567.db2.gz IKXYGKAGJXWRHU-UHFFFAOYSA-N 0 0 418.497 3.091 50 0 HGAARN CO[C@@H](C)c1noc(CCC(=O)Nc2cc(F)ccc2Sc2nccn2C)n1 ZINC000079015650 569423877 /nfs/dbraw/zinc/42/38/77/569423877.db2.gz QEFGRYFMNUIRCC-NSHDSACASA-N 0 0 405.455 3.372 50 0 HGAARN COc1ccc(CN2C[C@H](C(=O)N(C)c3nnc(-c4ccccc4)s3)CC2=O)cc1 ZINC000079019218 569424256 /nfs/dbraw/zinc/42/42/56/569424256.db2.gz WFKRPVILYBLYPS-QGZVFWFLSA-N 0 0 422.510 3.225 50 0 HGAARN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c1 ZINC000079024612 569424759 /nfs/dbraw/zinc/42/47/59/569424759.db2.gz XDBYJKYWILJGEV-ORAYPTAESA-N 0 0 406.479 3.061 50 0 HGAARN C[C@H](NC(=O)CNC(=O)c1c(F)cccc1Cl)c1noc(Cc2ccccc2)n1 ZINC000079026404 569424821 /nfs/dbraw/zinc/42/48/21/569424821.db2.gz LQLNPIRTXLUSFT-LBPRGKRZSA-N 0 0 416.840 3.060 50 0 HGAARN CO[C@H](C)c1nc(CN2CCCN(C(=O)CO[C@@H]3CCCC[C@@H]3C)CC2)cs1 ZINC000079053981 569425823 /nfs/dbraw/zinc/42/58/23/569425823.db2.gz QQYQSNBXQRKMFI-YQVWRLOYSA-N 0 0 409.596 3.480 50 0 HGAARN Cc1cc(O)cc(=O)n1[C@H](C)C(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000079056540 569425963 /nfs/dbraw/zinc/42/59/63/569425963.db2.gz YJAOABVOGUSBBE-OPAMFIHVSA-N 0 0 416.481 3.216 50 0 HGAARN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NCCc1nnc2ccccn21 ZINC000079098517 569427324 /nfs/dbraw/zinc/42/73/24/569427324.db2.gz ZAVDMSDWALSNEH-IRXDYDNUSA-N 0 0 415.538 3.252 50 0 HGAARN O=C(Nc1cccc(-c2nnco2)c1)N[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000079107233 569427703 /nfs/dbraw/zinc/42/77/03/569427703.db2.gz KWGMATALNPRQRG-OAHLLOKOSA-N 0 0 418.862 3.430 50 0 HGAARN COc1cc(N[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)cc(OC)c1 ZINC000079111006 569428078 /nfs/dbraw/zinc/42/80/78/569428078.db2.gz XCZNECCDGPEETM-INIZCTEOSA-N 0 0 408.495 3.417 50 0 HGAARN CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(OC)c1 ZINC000079112560 569428211 /nfs/dbraw/zinc/42/82/11/569428211.db2.gz NTIPJWRZGWFYRU-IBGZPJMESA-N 0 0 401.488 3.154 50 0 HGAARN CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1cccc(OC)c1 ZINC000079112557 569428239 /nfs/dbraw/zinc/42/82/39/569428239.db2.gz ZBJVPSUXLSVCPL-IBGZPJMESA-N 0 0 401.488 3.154 50 0 HGAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2[nH]c1=O ZINC000079190151 569429220 /nfs/dbraw/zinc/42/92/20/569429220.db2.gz TZGXCSXIGQOZOY-XLIONFOSSA-N 0 0 403.390 3.091 50 0 biogenic HGAARN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ccc(Cl)nn4)C3)c2c1 ZINC000079474999 569431381 /nfs/dbraw/zinc/43/13/81/569431381.db2.gz DWHQMBIFMAPFNZ-HNNXBMFYSA-N 0 0 413.909 3.195 50 0 HGAARN CC(C)n1[nH]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1ccc(Br)s1 ZINC000079475406 569431451 /nfs/dbraw/zinc/43/14/51/569431451.db2.gz ZEWJLBLPTCNADF-UHFFFAOYSA-N 0 0 408.281 3.389 50 0 HGAARN COc1ccc([C@@H]2[C@H](C(=O)NCCc3ccccn3)c3ccccc3C(=O)N2C)cc1 ZINC000079479267 569431691 /nfs/dbraw/zinc/43/16/91/569431691.db2.gz UEMFGIURFUIYFD-DHIUTWEWSA-N 0 0 415.493 3.360 50 0 HGAARN COc1cccc2c1ccn2CCNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000079479545 569431792 /nfs/dbraw/zinc/43/17/92/569431792.db2.gz YVUQZYHADKMAOL-UHFFFAOYSA-N 0 0 418.497 3.300 50 0 HGAARN COc1ccc([C@H]2[C@@H](C(=O)NCCc3ccncc3)c3ccccc3C(=O)N2C)cc1 ZINC000079491411 569432449 /nfs/dbraw/zinc/43/24/49/569432449.db2.gz SQHJPCUOZRXHPP-GOTSBHOMSA-N 0 0 415.493 3.360 50 0 HGAARN CCCn1c2ccccc2nc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)c1=O ZINC000065113193 571047098 /nfs/dbraw/zinc/04/70/98/571047098.db2.gz TWWVMYGMSWHBGQ-UHFFFAOYSA-N 0 0 412.440 3.047 50 0 HGAARN CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000067284201 571063156 /nfs/dbraw/zinc/06/31/56/571063156.db2.gz ZIROFIILYZADLZ-UHFFFAOYSA-N 0 0 406.490 3.082 50 0 HGAARN CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000067284231 571063316 /nfs/dbraw/zinc/06/33/16/571063316.db2.gz MZDRENKHAXQRCF-UHFFFAOYSA-N 0 0 418.501 3.276 50 0 HGAARN CCOC(=O)[C@H]1CCCN(c2nccn3nc(-c4ccc(OC)c(OC)c4)cc23)C1 ZINC000067285293 571063939 /nfs/dbraw/zinc/06/39/39/571063939.db2.gz ABUFTIYRNHYPQG-INIZCTEOSA-N 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ZINC000008540439 571075503 /nfs/dbraw/zinc/07/55/03/571075503.db2.gz NZYNYAOHBQFIGY-UHFFFAOYSA-N 0 0 415.442 3.283 50 0 HGAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccccc2Cl)c(=O)c1CCO ZINC000067316672 571075887 /nfs/dbraw/zinc/07/58/87/571075887.db2.gz RAYPIKFVWJMQKC-UHFFFAOYSA-N 0 0 415.852 3.185 50 0 HGAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1cccc(F)c1 ZINC000067316763 571075939 /nfs/dbraw/zinc/07/59/39/571075939.db2.gz HCXHHTMZSCLHFA-UHFFFAOYSA-N 0 0 409.461 3.148 50 0 HGAARN CCCCc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 ZINC000067320425 571077261 /nfs/dbraw/zinc/07/72/61/571077261.db2.gz NQUSHOVKBJSGDK-UHFFFAOYSA-N 0 0 409.461 3.428 50 0 HGAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(SC)c3)c2C)cc1 ZINC000067322634 571078371 /nfs/dbraw/zinc/07/83/71/571078371.db2.gz XPBBDVGQICSZPU-UHFFFAOYSA-N 0 0 411.487 3.208 50 0 HGAARN Cc1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c(C)c1 ZINC000067335801 571079741 /nfs/dbraw/zinc/07/97/41/571079741.db2.gz UFDIUCJCYQGUPL-UHFFFAOYSA-N 0 0 421.526 3.370 50 0 HGAARN Cc1ccccc1N1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 ZINC000067335891 571079847 /nfs/dbraw/zinc/07/98/47/571079847.db2.gz QWRRBECLNLPHCG-UHFFFAOYSA-N 0 0 407.499 3.061 50 0 HGAARN CCOC(=O)C(=CNc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000067340509 571080860 /nfs/dbraw/zinc/08/08/60/571080860.db2.gz PQQJCEWXHBKSRJ-QGOAFFKASA-N 0 0 403.456 3.072 50 0 HGAARN CCOc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)cc1 ZINC000067349862 571081634 /nfs/dbraw/zinc/08/16/34/571081634.db2.gz BJPNPXJUBHONOI-UHFFFAOYSA-N 0 0 421.497 3.241 50 0 HGAARN COc1ccccc1-n1cnnc1SCC(=O)NCCc1c[nH]c2ccccc12 ZINC000008565832 571081975 /nfs/dbraw/zinc/08/19/75/571081975.db2.gz XWIZZPLFDUPRFQ-UHFFFAOYSA-N 0 0 407.499 3.208 50 0 HGAARN C[C@@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 ZINC000038832894 571085616 /nfs/dbraw/zinc/08/56/16/571085616.db2.gz AVNLIDXDPUSIBI-FZKQIMNGSA-N 0 0 408.907 3.135 50 0 HGAARN CCN(CC)C(=O)CSc1nnc([C@@H](CCSC)NC(=O)OC(C)(C)C)o1 ZINC000008602263 571090867 /nfs/dbraw/zinc/09/08/67/571090867.db2.gz OFZVXBHQRSTPJD-GFCCVEGCSA-N 0 0 418.585 3.349 50 0 HGAARN Cc1nn(CCC(=O)Nc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000008608008 571092960 /nfs/dbraw/zinc/09/29/60/571092960.db2.gz RGHRPLWKWPLHGD-UHFFFAOYSA-N 0 0 424.954 3.357 50 0 HGAARN CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)NCc2ccc(C)cc2)c1 ZINC000008619423 571096141 /nfs/dbraw/zinc/09/61/41/571096141.db2.gz IRRLFWDBLPMIGP-UHFFFAOYSA-N 0 0 400.482 3.374 50 0 HGAARN COc1ccccc1-c1nnc(SCc2nc(N)nc(Nc3ccccc3)n2)n1C ZINC000008710562 571105054 /nfs/dbraw/zinc/10/50/54/571105054.db2.gz SRKNFOYIZUECFB-UHFFFAOYSA-N 0 0 420.502 3.294 50 0 HGAARN CN(Cc1ccccc1)C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000008721354 571107007 /nfs/dbraw/zinc/10/70/07/571107007.db2.gz MDTJTMCJNBSGND-UHFFFAOYSA-N 0 0 419.572 3.007 50 0 HGAARN COc1ccc(Br)cc1CN(C)CC(=O)NC(=O)Nc1ccccc1F ZINC000008724875 571107644 /nfs/dbraw/zinc/10/76/44/571107644.db2.gz CGZQDQMVLNJIBE-UHFFFAOYSA-N 0 0 424.270 3.377 50 0 HGAARN CCc1ccc(NC(=O)[C@H](CCSC)NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000008735341 571109906 /nfs/dbraw/zinc/10/99/06/571109906.db2.gz MPHBFKHOYZGSEP-KRWDZBQOSA-N 0 0 417.556 3.048 50 0 HGAARN CCOC(=O)c1csc(N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000008752035 571112511 /nfs/dbraw/zinc/11/25/11/571112511.db2.gz RVTZZGNPEGKJTH-OAHLLOKOSA-N 0 0 403.357 3.324 50 0 HGAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N4CCC[C@H]4CO)ccc3c2=O)cc1 ZINC000008765067 571115357 /nfs/dbraw/zinc/11/53/57/571115357.db2.gz WJHCQPWZJILSGH-KRWDZBQOSA-N 0 0 423.465 3.139 50 0 biogenic HGAARN Cc1ccc(N2C(=O)N(c3cccc(Br)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000008768091 571116052 /nfs/dbraw/zinc/11/60/52/571116052.db2.gz AYTKOZVGSFIUCA-IRXDYDNUSA-N 0 0 421.316 3.370 50 0 HGAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccc(OCC)cc1 ZINC000008770378 571116891 /nfs/dbraw/zinc/11/68/91/571116891.db2.gz UCIZHQYQLYIWGJ-UHFFFAOYSA-N 0 0 421.453 3.369 50 0 HGAARN COC(=O)c1ccc(CNC(=O)c2cc(OC)c(Br)c(OC)c2)cc1 ZINC000008772611 571117594 /nfs/dbraw/zinc/11/75/94/571117594.db2.gz SJJKNYSWLBVKFY-UHFFFAOYSA-N 0 0 408.248 3.183 50 0 HGAARN Cc1cccc(N2C(=O)N(c3cccc(Br)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000008828031 571122450 /nfs/dbraw/zinc/12/24/50/571122450.db2.gz KWNCWKOSRRULPN-DLBZAZTESA-N 0 0 421.316 3.370 50 0 HGAARN CCOc1ccc([C@H]2CCCN2C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000008879347 571131156 /nfs/dbraw/zinc/13/11/56/571131156.db2.gz WYSZLDUUKFFSMN-LJQANCHMSA-N 0 0 413.518 3.394 50 0 HGAARN Cc1cc2[nH]c(C(=O)OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c(C)c1 ZINC000039536136 571132876 /nfs/dbraw/zinc/13/28/76/571132876.db2.gz JZLBDLYKPAFVDC-UHFFFAOYSA-N 0 0 409.461 3.429 50 0 HGAARN Cc1ccc(NCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)N(C)C ZINC000039987700 571136575 /nfs/dbraw/zinc/13/65/75/571136575.db2.gz JOOLVXFTVYJKKP-HNNXBMFYSA-N 0 0 415.515 3.281 50 0 HGAARN Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)o2)cs1 ZINC000040012240 571137987 /nfs/dbraw/zinc/13/79/87/571137987.db2.gz OOJGULVIXTUMLP-QGZVFWFLSA-N 0 0 409.511 3.419 50 0 HGAARN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000040015856 571138718 /nfs/dbraw/zinc/13/87/18/571138718.db2.gz XZWVYAIDXLHMQX-CTNGQTDRSA-N 0 0 420.488 3.317 50 0 HGAARN COc1ccc([C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)cc1 ZINC000040013717 571138727 /nfs/dbraw/zinc/13/87/27/571138727.db2.gz YBMWPQWTLSHKOM-LXZJYRNTSA-N 0 0 403.548 3.085 50 0 HGAARN COc1ccc2nc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(C)=O)sc2c1 ZINC000040020008 571139417 /nfs/dbraw/zinc/13/94/17/571139417.db2.gz AZOQTZJKLGXYDQ-SFHVURJKSA-N 0 0 408.483 3.472 50 0 HGAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc2c(c1)CCCC2 ZINC000008882966 571140512 /nfs/dbraw/zinc/14/05/12/571140512.db2.gz QZRCHPNHMRWAMC-OAQYLSRUSA-N 0 0 401.466 3.393 50 0 HGAARN Cc1ccc(OCCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000008883304 571140831 /nfs/dbraw/zinc/14/08/31/571140831.db2.gz JTEQNPBKRKDXOH-UHFFFAOYSA-N 0 0 417.259 3.278 50 0 HGAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)cc3C)C2=O)cc1 ZINC000008888957 571141644 /nfs/dbraw/zinc/14/16/44/571141644.db2.gz UKZQNPKOOAISIB-HXUWFJFHSA-N 0 0 401.850 3.063 50 0 HGAARN O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000040050901 571144548 /nfs/dbraw/zinc/14/45/48/571144548.db2.gz YLHMLUBXIFNGFO-UHFFFAOYSA-N 0 0 423.498 3.237 50 0 HGAARN COc1ccc(N2C[C@@H](C(=O)OCC(=O)C34CC5CC(CC(C5)C3)C4)CC2=O)cc1 ZINC000040066818 571148031 /nfs/dbraw/zinc/14/80/31/571148031.db2.gz BQGBDYBENIZRLJ-JNYXMARXSA-N 0 0 411.498 3.377 50 0 HGAARN NC(=O)N[C@@H](CC(=O)NCCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000040069174 571149636 /nfs/dbraw/zinc/14/96/36/571149636.db2.gz VUMPSHRUCAPSLK-INIZCTEOSA-N 0 0 408.271 3.047 50 0 HGAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCn1c(C)nc2ccccc2c1=O ZINC000040071972 571152588 /nfs/dbraw/zinc/15/25/88/571152588.db2.gz OUUYXGBVSFLJGZ-UHFFFAOYSA-N 0 0 409.486 3.161 50 0 HGAARN O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000040072455 571153047 /nfs/dbraw/zinc/15/30/47/571153047.db2.gz BSZPHTOJWHUSHZ-UHFFFAOYSA-N 0 0 420.282 3.152 50 0 HGAARN COc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCO)cc1OC ZINC000008917326 571153481 /nfs/dbraw/zinc/15/34/81/571153481.db2.gz LACVWLYZXCKHTL-HXUWFJFHSA-N 0 0 423.465 3.355 50 0 HGAARN COc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCO)cc1OC ZINC000008917327 571153489 /nfs/dbraw/zinc/15/34/89/571153489.db2.gz LACVWLYZXCKHTL-FQEVSTJZSA-N 0 0 423.465 3.355 50 0 HGAARN C[C@@H](NC(=O)c1cn(-c2cccc(Br)c2)nn1)c1nc2ccccc2[nH]1 ZINC000040073785 571153869 /nfs/dbraw/zinc/15/38/69/571153869.db2.gz FOVUAMZWFJJNBI-LLVKDONJSA-N 0 0 411.263 3.397 50 0 HGAARN Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)ccc1-n1cnnn1 ZINC000040081853 571156203 /nfs/dbraw/zinc/15/62/03/571156203.db2.gz KFAWDGIMGBFZSS-HXUWFJFHSA-N 0 0 413.485 3.023 50 0 HGAARN Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)cc1 ZINC000040086413 571156817 /nfs/dbraw/zinc/15/68/17/571156817.db2.gz KVLHHDSKMORPCR-UHFFFAOYSA-N 0 0 424.526 3.390 50 0 HGAARN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCC[C@H]2CCCC[C@H]21 ZINC000040093422 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CC(C)(C)OC(=O)N1CC[C@@H](COc2ncccc2I)C1 ZINC000038534049 558812730 /nfs/dbraw/zinc/81/27/30/558812730.db2.gz DPPJZODPZSNYBF-LLVKDONJSA-N 0 0 404.248 3.322 50 0 HGAARN O=C(CNC(=O)c1ccc(Br)o1)NCc1cccc(C(F)(F)F)c1 ZINC000017064698 558813502 /nfs/dbraw/zinc/81/35/02/558813502.db2.gz FGLXBRVRVAGUCC-UHFFFAOYSA-N 0 0 405.170 3.107 50 0 HGAARN O=C(NCCc1c[nH]cn1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000017081823 558813685 /nfs/dbraw/zinc/81/36/85/558813685.db2.gz WOGFYNAWFSANRE-UHFFFAOYSA-N 0 0 400.364 3.111 50 0 HGAARN O=C(Nn1c(=O)c2c3c(sc2[nH]c1=S)CCCC3)c1ccc2c(c1)OCO2 ZINC000017082199 558814170 /nfs/dbraw/zinc/81/41/70/558814170.db2.gz HNQGHVAFUUATLY-UHFFFAOYSA-N 0 0 401.469 3.112 50 0 HGAARN CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccc(N(C)C)c1 ZINC000017088338 558817186 /nfs/dbraw/zinc/81/71/86/558817186.db2.gz MOVPEFBHUJWQDG-UHFFFAOYSA-N 0 0 409.559 3.482 50 0 HGAARN C[C@]1(c2nn3c(nc4ccccc4c3=O)s2)CC1(Br)Br ZINC000017090186 558818775 /nfs/dbraw/zinc/81/87/75/558818775.db2.gz 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HGAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1cccc(Br)c1 ZINC000049547932 558850183 /nfs/dbraw/zinc/85/01/83/558850183.db2.gz BYLLLZHEXDDYMP-UHFFFAOYSA-N 0 0 402.223 3.451 50 0 HGAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CCC(O)CC3)cc2)c1C ZINC000033028108 558851638 /nfs/dbraw/zinc/85/16/38/558851638.db2.gz UQSMUXYUNOKKQK-UHFFFAOYSA-N 0 0 402.516 3.138 50 0 HGAARN COc1ccc(N2C[C@@H](C(=O)N3CCc4[nH]c5ccc(OC)cc5c4C3)CC2=O)cc1 ZINC000072324894 558861853 /nfs/dbraw/zinc/86/18/53/558861853.db2.gz PARYBVMXJNLVOU-HNNXBMFYSA-N 0 0 419.481 3.123 50 0 biogenic HGAARN COc1cc(C(=O)NCCCO[C@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000023021908 558865036 /nfs/dbraw/zinc/86/50/36/558865036.db2.gz XKSSLMZLBMAKIC-CQSZACIVSA-N 0 0 420.893 3.110 50 0 HGAARN COc1ccc(CCNC(=O)c2cnc(N3CCOCC3)c3ccccc23)cc1OC ZINC000033072974 558867244 /nfs/dbraw/zinc/86/72/44/558867244.db2.gz ROEKUZCMUJWVMX-UHFFFAOYSA-N 0 0 421.497 3.061 50 0 biogenic HGAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)[nH]n2)cc1 ZINC000072331254 558867660 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421.607 3.448 50 0 HGAARN COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1C ZINC000055182635 558875045 /nfs/dbraw/zinc/87/50/45/558875045.db2.gz LHUMSGCFKZVANR-NRFANRHFSA-N 0 0 423.557 3.439 50 0 HGAARN CCc1ccccc1NC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000033122568 558879172 /nfs/dbraw/zinc/87/91/72/558879172.db2.gz ZONUJANKJNVWAO-UHFFFAOYSA-N 0 0 405.495 3.363 50 0 HGAARN Cc1csc2nc(=O)c(-c3ccccc3NC(=O)CCc3[nH]nc(C)c3C)nn12 ZINC000055385330 558880701 /nfs/dbraw/zinc/88/07/01/558880701.db2.gz IZWGGCXQLDDVJJ-UHFFFAOYSA-N 0 0 408.487 3.038 50 0 HGAARN CC(=O)[C@H]1CCCN(Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)C1 ZINC000055385555 558880864 /nfs/dbraw/zinc/88/08/64/558880864.db2.gz NDVRBNOFBYVMAF-FQEVSTJZSA-N 0 0 417.575 3.314 50 0 HGAARN Cc1ccc(-c2noc(-c3cccc(NC(=O)[C@H]4CCCN(C(N)=O)C4)c3)n2)cc1 ZINC000055392902 558880880 /nfs/dbraw/zinc/88/08/80/558880880.db2.gz HNHLJAPUUFJPDN-KRWDZBQOSA-N 0 0 405.458 3.441 50 0 HGAARN O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000013797356 558881618 /nfs/dbraw/zinc/88/16/18/558881618.db2.gz NODUOOLJRIBYAZ-UHFFFAOYSA-N 0 0 415.852 3.288 50 0 HGAARN COc1ccc(-n2nc(SCC(=O)Nc3cc(C)ccc3OC)ccc2=O)cc1 ZINC000033128403 558882292 /nfs/dbraw/zinc/88/22/92/558882292.db2.gz WHOJVSICJUJKBJ-UHFFFAOYSA-N 0 0 411.483 3.289 50 0 HGAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1OC ZINC000033125199 558883245 /nfs/dbraw/zinc/88/32/45/558883245.db2.gz OTQCBIBRZGMXLH-MRXNPFEDSA-N 0 0 423.469 3.273 50 0 HGAARN CCOc1ccccc1CNC(=O)c1snc2c1ncn(Cc1ccccc1)c2=O ZINC000033129910 558885668 /nfs/dbraw/zinc/88/56/68/558885668.db2.gz TTZICOKUFMQWNR-UHFFFAOYSA-N 0 0 420.494 3.230 50 0 HGAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)NCc1ccncc1 ZINC000033048938 558886629 /nfs/dbraw/zinc/88/66/29/558886629.db2.gz KYNMRPCMRZVHGC-UHFFFAOYSA-N 0 0 404.857 3.428 50 0 HGAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1F ZINC000057291805 558887975 /nfs/dbraw/zinc/88/79/75/558887975.db2.gz TWKXRWSIZSGWRO-UHFFFAOYSA-N 0 0 410.262 3.488 50 0 HGAARN 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568638733 /nfs/dbraw/zinc/63/87/33/568638733.db2.gz QIRSZBIRQDFUIN-XJKSGUPXSA-N 0 0 403.306 3.402 50 0 HGAARN CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C1CCCC1)c2=O ZINC000020644014 568639084 /nfs/dbraw/zinc/63/90/84/568639084.db2.gz GXCZEZXMYITOOJ-UHFFFAOYSA-N 0 0 402.564 3.262 50 0 HGAARN Cc1cccc(N2CCN(CN3c4ccccc4C4(OCCCO4)C3=O)C[C@@H]2C)c1 ZINC000020681506 568639977 /nfs/dbraw/zinc/63/99/77/568639977.db2.gz BOYWCGKGTQLCOS-IBGZPJMESA-N 0 0 407.514 3.100 50 0 HGAARN Cc1sc(Cl)nc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000225464519 568640501 /nfs/dbraw/zinc/64/05/01/568640501.db2.gz PGUCEWGBKPEOKD-UHFFFAOYSA-N 0 0 419.981 3.271 50 0 HGAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000225495575 568643315 /nfs/dbraw/zinc/64/33/15/568643315.db2.gz BBOTWKGHFINPCP-LBPRGKRZSA-N 0 0 418.419 3.411 50 0 HGAARN CC(=O)N1N=C(c2ccn(C)n2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000225498759 568643712 /nfs/dbraw/zinc/64/37/12/568643712.db2.gz OIUCFZRHWDDBLH-KRWDZBQOSA-N 0 0 411.849 3.091 50 0 HGAARN CCOc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)c1 ZINC000225517127 568646038 /nfs/dbraw/zinc/64/60/38/568646038.db2.gz QRZBQCBIKOOKDQ-FQEVSTJZSA-N 0 0 401.488 3.154 50 0 HGAARN COC(=O)[C@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)Cc1ccc(O)cc1 ZINC000225521854 568646602 /nfs/dbraw/zinc/64/66/02/568646602.db2.gz KDPHEQSYIAQMMI-SFHVURJKSA-N 0 0 424.497 3.002 50 0 HGAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccccc3C)cc2)S1 ZINC000020895410 568648840 /nfs/dbraw/zinc/64/88/40/568648840.db2.gz HAFSDORPKOUYOO-FQEVSTJZSA-N 0 0 413.499 3.454 50 0 HGAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000020902079 568650128 /nfs/dbraw/zinc/65/01/28/568650128.db2.gz FZSYFGJWESZZMF-QFIPXVFZSA-N 0 0 418.472 3.075 50 0 HGAARN CC(=O)N1CCOc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000020902245 568650372 /nfs/dbraw/zinc/65/03/72/568650372.db2.gz BKKAHRCPWBGYLJ-UHFFFAOYSA-N 0 0 400.378 3.252 50 0 HGAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)c1 ZINC000020923391 568651074 /nfs/dbraw/zinc/65/10/74/568651074.db2.gz JTLUJGLSVMDPIJ-NSHDSACASA-N 0 0 402.497 3.073 50 0 HGAARN Cc1cc(C)c(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)c(C)c1 ZINC000020940771 568652711 /nfs/dbraw/zinc/65/27/11/568652711.db2.gz JTUSQYUGBDIYGZ-UHFFFAOYSA-N 0 0 406.490 3.293 50 0 HGAARN COc1ccc(NC(=O)C2CCN(c3ncnc4onc(C)c43)CC2)cc1Cl ZINC000020944829 568653115 /nfs/dbraw/zinc/65/31/15/568653115.db2.gz BPBPRCBNAJOSIG-UHFFFAOYSA-N 0 0 401.854 3.443 50 0 HGAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4onc(C)c43)C2)cc1Cl ZINC000020945103 568653131 /nfs/dbraw/zinc/65/31/31/568653131.db2.gz LNNWEGMFQGRWPH-LBPRGKRZSA-N 0 0 401.854 3.443 50 0 HGAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000020980940 568654542 /nfs/dbraw/zinc/65/45/42/568654542.db2.gz DUZCLGFULXWHJK-UHFFFAOYSA-N 0 0 411.487 3.343 50 0 HGAARN CC[C@H]1CN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c2cc(C)ccc2O1 ZINC000020985133 568654945 /nfs/dbraw/zinc/65/49/45/568654945.db2.gz JBBANIRELBBFRS-ZDUSSCGKSA-N 0 0 417.512 3.173 50 0 HGAARN O=C(CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[nH]n21)Nc1ccccc1 ZINC000020986971 568655359 /nfs/dbraw/zinc/65/53/59/568655359.db2.gz XMSQKZNICBHEET-UHFFFAOYSA-N 0 0 411.874 3.469 50 0 HGAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCCc3ccco3)s2)on1 ZINC000020994894 568656481 /nfs/dbraw/zinc/65/64/81/568656481.db2.gz ARXGOCMGIYFRJK-UHFFFAOYSA-N 0 0 410.473 3.084 50 0 HGAARN CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccco2)C1 ZINC000020995473 568656663 /nfs/dbraw/zinc/65/66/63/568656663.db2.gz LMJJJYRKQQJSEU-OFAQMXQXSA-N 0 0 421.519 3.016 50 0 HGAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)ncn3n2)cc1 ZINC000021024237 568658563 /nfs/dbraw/zinc/65/85/63/568658563.db2.gz OZNFUSWFXQZRCS-UHFFFAOYSA-N 0 0 423.860 3.167 50 0 HGAARN O=C(Nc1nc(-c2cccc(F)c2)cs1)N1CCN(c2ncc(F)cn2)CC1 ZINC000095940088 568661510 /nfs/dbraw/zinc/66/15/10/568661510.db2.gz AZVHXXRSEDWSDX-UHFFFAOYSA-N 0 0 402.430 3.232 50 0 HGAARN CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2S(C)(=O)=O)cc1 ZINC000095945334 568663395 /nfs/dbraw/zinc/66/33/95/568663395.db2.gz FQAGAQGVWAYANL-IBGZPJMESA-N 0 0 404.488 3.213 50 0 HGAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cncc(Br)c3)O2)c(OC)c1 ZINC000021092224 568664277 /nfs/dbraw/zinc/66/42/77/568664277.db2.gz AOWUVFWRJYXJFT-KRWDZBQOSA-N 0 0 406.236 3.100 50 0 HGAARN Cc1ccc(NC(=O)CN2CCSc3ccc(S(=O)(=O)N(C)C)cc32)c(C)c1 ZINC000021094193 568664480 /nfs/dbraw/zinc/66/44/80/568664480.db2.gz KCEORSJBEHUUEQ-UHFFFAOYSA-N 0 0 419.572 3.105 50 0 HGAARN Cc1cccc(OCC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000021103545 568666771 /nfs/dbraw/zinc/66/67/71/568666771.db2.gz QWNHLFGGKBIOOO-UHFFFAOYSA-N 0 0 412.877 3.426 50 0 HGAARN CC1(C)NC(=O)N(c2cccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)c2)C1=O ZINC000225716834 568667282 /nfs/dbraw/zinc/66/72/82/568667282.db2.gz XENLSCUGKQZHEP-UHFFFAOYSA-N 0 0 422.363 3.110 50 0 HGAARN CC(C)(C)[S@](=O)CCNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000095958698 568669833 /nfs/dbraw/zinc/66/98/33/568669833.db2.gz UTQUQZXICJUKJI-JWIGPWBQSA-N 0 0 422.494 3.100 50 0 HGAARN CC(C)(C)OC(=O)NCCSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000095959610 568669981 /nfs/dbraw/zinc/66/99/81/568669981.db2.gz CJGXUWQNKZLYJO-CQSZACIVSA-N 0 0 405.520 3.192 50 0 HGAARN COC(=O)Cn1cc([C@H](C)OC(=O)c2cc(C3CC3)nc3cc(C)cc(C)c32)nn1 ZINC000095971990 568671847 /nfs/dbraw/zinc/67/18/47/568671847.db2.gz SEADNUMEAJGJGD-AWEZNQCLSA-N 0 0 408.458 3.412 50 0 HGAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cccc(F)c1)C[C@@H]1CSCN12 ZINC000021152323 568672494 /nfs/dbraw/zinc/67/24/94/568672494.db2.gz DTZPIJPORKLOFN-CDMIOBSGSA-N 0 0 411.502 3.421 50 0 biogenic HGAARN Cn1cccc1[C@@H](CNS(=O)(=O)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000021153925 568673154 /nfs/dbraw/zinc/67/31/54/568673154.db2.gz VRIIPNGQQMNERR-HSZRJFAPSA-N 0 0 409.555 3.244 50 0 HGAARN COCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021158796 568674234 /nfs/dbraw/zinc/67/42/34/568674234.db2.gz HSDKQPHFLVHHNI-UHFFFAOYSA-N 0 0 410.493 3.203 50 0 HGAARN O=C1C[C@@H](c2nc3ccccc3n2CCN2CCOCC2)CN1c1ccccc1F ZINC000021171761 568676367 /nfs/dbraw/zinc/67/63/67/568676367.db2.gz GZUQWOYBMXUPGY-QGZVFWFLSA-N 0 0 408.477 3.028 50 0 HGAARN CCc1nn2c(nnc2-c2ccc(OC)cc2)c2c1nnn2Cc1ccc(F)cc1 ZINC000021174590 568677000 /nfs/dbraw/zinc/67/70/00/568677000.db2.gz CIZYFEXACLZHOV-UHFFFAOYSA-N 0 0 403.421 3.294 50 0 HGAARN COC(=O)c1c(OCC(=O)Nc2ccc(C(=O)OC)cc2)ccn1Cc1ccccc1 ZINC000225825124 568678302 /nfs/dbraw/zinc/67/83/02/568678302.db2.gz PEPDQRDSRXIESD-UHFFFAOYSA-N 0 0 422.437 3.127 50 0 HGAARN CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000095993605 568678441 /nfs/dbraw/zinc/67/84/41/568678441.db2.gz DXIBTKRKCYYBRD-HNNXBMFYSA-N 0 0 422.890 3.113 50 0 HGAARN O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncncc2Cl)CC1 ZINC000225831129 568678979 /nfs/dbraw/zinc/67/89/79/568678979.db2.gz LFTCXCARTJWRQV-UHFFFAOYSA-N 0 0 414.918 3.308 50 0 HGAARN Cc1nc(C)c(C(=O)N2CCOC[C@@H]2c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000096002534 568681638 /nfs/dbraw/zinc/68/16/38/568681638.db2.gz UQPZPJABVNNNQN-CYBMUJFWSA-N 0 0 402.442 3.349 50 0 HGAARN C[NH+](C)CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)cc1)C(C)(C)C ZINC000096012414 568684813 /nfs/dbraw/zinc/68/48/13/568684813.db2.gz VBYGVDUSPUMFAX-AWEZNQCLSA-N 0 0 409.474 3.044 50 0 HGAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C ZINC000021308735 568687295 /nfs/dbraw/zinc/68/72/95/568687295.db2.gz ILRSAONFNUKKSN-KRWDZBQOSA-N 0 0 402.516 3.494 50 0 HGAARN Cc1oc(C2CCN(C(=O)/C=C/c3ccc(C)cc3)CC2)nc1C(=O)N1CCOCC1 ZINC000096095676 568688543 /nfs/dbraw/zinc/68/85/43/568688543.db2.gz OEKQMGMUHULCPB-BQYQJAHWSA-N 0 0 423.513 3.183 50 0 HGAARN COc1ccc(-c2nn([C@@H](C)C(=O)Nc3nc(C)c(C)s3)c(=O)cc2OC)cc1 ZINC000096101012 568691096 /nfs/dbraw/zinc/69/10/96/568691096.db2.gz CAUDUISANZMIAC-LBPRGKRZSA-N 0 0 414.487 3.201 50 0 HGAARN COc1ccc(OC)c2[nH]c(C(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)cc21 ZINC000012389926 568693327 /nfs/dbraw/zinc/69/33/27/568693327.db2.gz ZNOWITSFKPGELM-CQSZACIVSA-N 0 0 405.458 3.248 50 0 HGAARN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000012390003 568693682 /nfs/dbraw/zinc/69/36/82/568693682.db2.gz LRXMRTFYHCODMH-ZDUSSCGKSA-N 0 0 421.320 3.060 50 0 HGAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)NCC1CCOCC1 ZINC000096114241 568694032 /nfs/dbraw/zinc/69/40/32/568694032.db2.gz QQQOCGFKNROXSQ-UHFFFAOYSA-N 0 0 409.438 3.087 50 0 biogenic HGAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cnn(C)c2)cc1 ZINC000096115386 568694848 /nfs/dbraw/zinc/69/48/48/568694848.db2.gz AYFMTDZYYFTSKZ-GHTZIAJQSA-N 0 0 417.421 3.067 50 0 biogenic HGAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCC1CCOCC1)C(=O)OC2 ZINC000096115693 568695051 /nfs/dbraw/zinc/69/50/51/568695051.db2.gz WGTDTWYUYIZLFN-LNKIKWGQSA-N 0 0 417.502 3.191 50 0 biogenic HGAARN O=C(CCCNC(=O)c1cnccn1)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000096117640 568697289 /nfs/dbraw/zinc/69/72/89/568697289.db2.gz RXDSSFASUJXVBQ-QGZVFWFLSA-N 0 0 411.893 3.315 50 0 HGAARN CC(C)(C)c1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012401059 568699991 /nfs/dbraw/zinc/69/99/91/568699991.db2.gz ICUCIELICHLVMF-IBGZPJMESA-N 0 0 411.424 3.467 50 0 HGAARN COCCn1c(C[C@@H]2CCN(C(=O)c3ccc(OC)cc3C)C2)nc2cccnc21 ZINC000096125030 568701372 /nfs/dbraw/zinc/70/13/72/568701372.db2.gz MDUYHGTYJAKKSU-KRWDZBQOSA-N 0 0 408.502 3.100 50 0 HGAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2cccnc2)C(=O)NC(C)C)c1C ZINC000096210377 568704507 /nfs/dbraw/zinc/70/45/07/568704507.db2.gz MAGPETOUKYJFBT-UHFFFAOYSA-N 0 0 400.479 3.006 50 0 HGAARN Cc1nc(SCc2cccc(C(=O)NC(C)C)c2)nc(N2CCOCC2)c1C ZINC000096211067 568704556 /nfs/dbraw/zinc/70/45/56/568704556.db2.gz FPXVIJYNMQPRAL-UHFFFAOYSA-N 0 0 400.548 3.361 50 0 HGAARN Cc1cc(=O)oc2cc(OCC(=O)NCCCc3nc4ccccc4n3C)ccc12 ZINC000096221803 568705275 /nfs/dbraw/zinc/70/52/75/568705275.db2.gz UCNMWYBKZQNGNL-UHFFFAOYSA-N 0 0 405.454 3.116 50 0 biogenic HGAARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(-c3ccccc3)o2)o1 ZINC000096222707 568705717 /nfs/dbraw/zinc/70/57/17/568705717.db2.gz MASFYCOFMSOBNG-QGZVFWFLSA-N 0 0 409.438 3.295 50 0 biogenic HGAARN Cn1c(CNC(=O)CCCCCn2cnc3ccccc3c2=O)nc2ccccc21 ZINC000096224323 568706477 /nfs/dbraw/zinc/70/64/77/568706477.db2.gz PRFOIRBIHVYFQB-UHFFFAOYSA-N 0 0 403.486 3.160 50 0 HGAARN COC(=O)C[C@@H](c1cnn(C)c1)c1c(=O)[nH][nH]c1Cc1ccc(OC(F)(F)F)cc1 ZINC000096230816 568706765 /nfs/dbraw/zinc/70/67/65/568706765.db2.gz NQWMLXHYGKTPNO-AWEZNQCLSA-N 0 0 424.379 3.033 50 0 HGAARN COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c2[nH]snc-2ccc1=O ZINC000096232272 568708129 /nfs/dbraw/zinc/70/81/29/568708129.db2.gz GDYTULVGTOQWJV-LLVKDONJSA-N 0 0 404.444 3.118 50 0 HGAARN COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)ccc1O ZINC000096232774 568708385 /nfs/dbraw/zinc/70/83/85/568708385.db2.gz UESWMFBPWASBHR-SJKOYZFVSA-N 0 0 419.503 3.208 50 0 HGAARN C[C@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000024988532 568711244 /nfs/dbraw/zinc/71/12/44/568711244.db2.gz MXSDVVUFGSDPLJ-SFHVURJKSA-N 0 0 423.538 3.218 50 0 HGAARN CCc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)c1 ZINC000021537388 568712404 /nfs/dbraw/zinc/71/24/04/568712404.db2.gz AFLFUECZNSTNHN-UHFFFAOYSA-N 0 0 405.483 3.378 50 0 HGAARN O=C(N/C(=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Br ZINC000000854213 568712560 /nfs/dbraw/zinc/71/25/60/568712560.db2.gz UFVDRIWUKHFMQQ-NBVRZTHBSA-N 0 0 415.287 3.079 50 0 HGAARN COc1ccccc1CNC(=O)c1cc2c(ccn(Cc3ccco3)c2=O)nc1C ZINC000021538664 568713270 /nfs/dbraw/zinc/71/32/70/568713270.db2.gz QTUYDMKCGLKMOM-UHFFFAOYSA-N 0 0 403.438 3.285 50 0 HGAARN Cc1ccc(NC(=O)CCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1C ZINC000021540365 568713539 /nfs/dbraw/zinc/71/35/39/568713539.db2.gz MXJBQTVHYLGSDH-UHFFFAOYSA-N 0 0 405.433 3.207 50 0 HGAARN COc1ccc(C2=CCN(CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000051915890 568713725 /nfs/dbraw/zinc/71/37/25/568713725.db2.gz JNHZELAZKJPERL-FQEVSTJZSA-N 0 0 405.542 3.427 50 0 HGAARN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 ZINC000229955492 568716021 /nfs/dbraw/zinc/71/60/21/568716021.db2.gz BQIMYQISQAQYDN-BHDDXSALSA-N 0 0 416.433 3.452 50 0 HGAARN Cc1ccc2c(c1)N[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)NS2(=O)=O ZINC000012414565 568716944 /nfs/dbraw/zinc/71/69/44/568716944.db2.gz GEVLNBYDKULJMZ-FQEVSTJZSA-N 0 0 409.467 3.456 50 0 HGAARN COCCSc1nnc(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)n1C ZINC000014988591 568717447 /nfs/dbraw/zinc/71/74/47/568717447.db2.gz ZDDLLZBTLWPITJ-UHFFFAOYSA-N 0 0 414.506 3.332 50 0 HGAARN O=C(/C=C\c1ccccc1OC(F)(F)F)N1CCC(NC(=O)c2cccnc2)CC1 ZINC000096310874 568724323 /nfs/dbraw/zinc/72/43/23/568724323.db2.gz LTMOWWPJENCQPR-FPLPWBNLSA-N 0 0 419.403 3.414 50 0 HGAARN CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)N1CCN(c3ccc(C)cc3)CC1)C2 ZINC000096310515 568724425 /nfs/dbraw/zinc/72/44/25/568724425.db2.gz NTPXPKYHKKCYKU-LJQANCHMSA-N 0 0 407.562 3.085 50 0 HGAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3ccnn3C)nc21 ZINC000012444250 568725729 /nfs/dbraw/zinc/72/57/29/568725729.db2.gz KSULXKNAUMQMOL-UHFFFAOYSA-N 0 0 409.471 3.289 50 0 HGAARN Cc1ccc(/C=C\C(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)o1 ZINC000096315866 568725733 /nfs/dbraw/zinc/72/57/33/568725733.db2.gz FNWAMSRBQLBZMS-ZVBPTUHVSA-N 0 0 402.516 3.127 50 0 HGAARN COc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)C3CC3)CC2)c1 ZINC000096316902 568726099 /nfs/dbraw/zinc/72/60/99/568726099.db2.gz SLCZMLVBCMOJJY-UHFFFAOYSA-N 0 0 406.530 3.320 50 0 HGAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1F ZINC000238923570 568727391 /nfs/dbraw/zinc/72/73/91/568727391.db2.gz OVXMZUGLELOTKV-UHFFFAOYSA-N 0 0 417.462 3.453 50 0 HGAARN Cc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@H](C)C(=O)N32)cc1 ZINC000021644126 568727922 /nfs/dbraw/zinc/72/79/22/568727922.db2.gz MVXGNUWFGBDJTC-CABCVRRESA-N 0 0 406.511 3.412 50 0 HGAARN CCOC(=O)c1nc2onc(C)c2c(N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000021646121 568728077 /nfs/dbraw/zinc/72/80/77/568728077.db2.gz NMNFEHBCIAGKEQ-UHFFFAOYSA-N 0 0 415.881 3.391 50 0 HGAARN COc1ccc(-c2ncc(C(=O)N3CCC[C@@H]3[C@@H]3COCC[C@@]3(C)O)s2)cc1 ZINC000239539205 568729755 /nfs/dbraw/zinc/72/97/55/568729755.db2.gz AVWDCDIOUOHKMN-CSODHUTKSA-N 0 0 402.516 3.211 50 0 HGAARN O=C(Cn1nc2c3cc(-c4ccccc4)nn3ccn2c1=O)Nc1ccccc1Cl ZINC000096322438 568730274 /nfs/dbraw/zinc/73/02/74/568730274.db2.gz ZYMBBLHEFLRGJZ-UHFFFAOYSA-N 0 0 418.844 3.103 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccccc5)nn4ccn3c2=O)c(C)c1 ZINC000096322461 568730396 /nfs/dbraw/zinc/73/03/96/568730396.db2.gz YVQIUTHLWAOYFN-UHFFFAOYSA-N 0 0 412.453 3.066 50 0 HGAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5ccccc5)c(=O)n4ccn3n2)c1 ZINC000096322555 568730518 /nfs/dbraw/zinc/73/05/18/568730518.db2.gz UPMDHVRVQYECKH-UHFFFAOYSA-N 0 0 412.453 3.066 50 0 HGAARN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](c3nc(C)no3)C3CCOCC3)cc2)n1 ZINC000241124116 568730562 /nfs/dbraw/zinc/73/05/62/568730562.db2.gz JFTDEADNRYHFKL-HXUWFJFHSA-N 0 0 409.490 3.137 50 0 HGAARN CCC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccccc1NS(C)(=O)=O ZINC000241446965 568731217 /nfs/dbraw/zinc/73/12/17/568731217.db2.gz NQANUOLUSZOYHC-SFHVURJKSA-N 0 0 401.488 3.154 50 0 HGAARN CCOC(=O)c1cn(CC(=O)NC2CCCCCC2)c2cc(F)c(OC)cc2c1=O ZINC000241383121 568731245 /nfs/dbraw/zinc/73/12/45/568731245.db2.gz MSRWPHBJAKDOFY-UHFFFAOYSA-N 0 0 418.465 3.165 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc1Cl ZINC000021657451 568733103 /nfs/dbraw/zinc/73/31/03/568733103.db2.gz CDHIBPUINQZQJH-CYBMUJFWSA-N 0 0 401.850 3.299 50 0 HGAARN CCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000096324642 568733940 /nfs/dbraw/zinc/73/39/40/568733940.db2.gz CGTOQBVIPULNTL-KRWDZBQOSA-N 0 0 419.485 3.361 50 0 HGAARN COc1ccc(OC)c(NC(=O)CN2CCc3[nH]c4c(C)ccc(C)c4c(=O)c3C2)c1 ZINC000096326879 568734904 /nfs/dbraw/zinc/73/49/04/568734904.db2.gz KCZHMWNVWZQJDU-UHFFFAOYSA-N 0 0 421.497 3.159 50 0 HGAARN Cc1ccc(F)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1cc(F)ccc1F)C3 ZINC000096326929 568734941 /nfs/dbraw/zinc/73/49/41/568734941.db2.gz SXOXSUDYYXRUMN-UHFFFAOYSA-N 0 0 401.388 3.251 50 0 HGAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)ccc(C)c4c(=O)c3C2)cc1OC ZINC000096326885 568734944 /nfs/dbraw/zinc/73/49/44/568734944.db2.gz JXXXDJUXKXZCNN-UHFFFAOYSA-N 0 0 421.497 3.159 50 0 HGAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000005800023 568735394 /nfs/dbraw/zinc/73/53/94/568735394.db2.gz GHZATXZBRANZAD-UHFFFAOYSA-N 0 0 406.507 3.482 50 0 HGAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2cccc(Cl)c2)CC3)n1C ZINC000096332592 568736310 /nfs/dbraw/zinc/73/63/10/568736310.db2.gz JKVIZVXZHYJRRM-UHFFFAOYSA-N 0 0 416.938 3.180 50 0 HGAARN COc1ccc(NC(=O)[C@H]2Oc3cc(C)oc(=O)c3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000096336035 568736698 /nfs/dbraw/zinc/73/66/98/568736698.db2.gz IPWCWSMWHNEKSN-FPOVZHCZSA-N 0 0 421.405 3.217 50 0 HGAARN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000096350165 568738495 /nfs/dbraw/zinc/73/84/95/568738495.db2.gz DTACLVJRNIEJJD-HNNXBMFYSA-N 0 0 413.481 3.289 50 0 HGAARN COc1ccc(Br)c(C(=O)N2CCC(Oc3ccc(C)nn3)CC2)c1 ZINC000096355473 568738501 /nfs/dbraw/zinc/73/85/01/568738501.db2.gz RTQAYGCYNRNUBE-UHFFFAOYSA-N 0 0 406.280 3.240 50 0 HGAARN O=C(CCn1c(=O)oc2ccccc21)Nc1cc2c(cc1Br)OCCO2 ZINC000018699340 568738515 /nfs/dbraw/zinc/73/85/15/568738515.db2.gz IDZKYNHKKWOKIU-UHFFFAOYSA-N 0 0 419.231 3.157 50 0 HGAARN Cc1ccc2nc(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)oc2c1 ZINC000096358536 568738655 /nfs/dbraw/zinc/73/86/55/568738655.db2.gz BJXGWPCFDSARGN-UHFFFAOYSA-N 0 0 405.907 3.296 50 0 HGAARN CC(C)c1ccc(-n2nc(N3CCN(C(=O)c4ccccc4F)CC3)ccc2=O)cc1 ZINC000096358606 568738803 /nfs/dbraw/zinc/73/88/03/568738803.db2.gz KHULRQYJRWOSLY-UHFFFAOYSA-N 0 0 420.488 3.457 50 0 HGAARN CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)c3ccc(OC)c(F)c3)C2)n1 ZINC000096373084 568740624 /nfs/dbraw/zinc/74/06/24/568740624.db2.gz ZZLFTZBYVZIXLV-HNNXBMFYSA-N 0 0 419.522 3.379 50 0 HGAARN CC(=O)c1cccc(NC(=O)Cn2c3cccnc3n(-c3ccc(C)cc3)c2=O)c1 ZINC000096385541 568741765 /nfs/dbraw/zinc/74/17/65/568741765.db2.gz OUTAGJILOZVHNH-UHFFFAOYSA-N 0 0 400.438 3.337 50 0 HGAARN Cc1ccc(-n2c(=O)n(CC(=O)NCc3cc(F)ccc3F)c3cccnc32)cc1 ZINC000096385508 568741828 /nfs/dbraw/zinc/74/18/28/568741828.db2.gz LLGOYLVUDJSNSL-UHFFFAOYSA-N 0 0 408.408 3.090 50 0 HGAARN CCc1ccc(C(=O)NCCn2c3ncccc3n(Cc3ccccc3)c2=O)cc1 ZINC000096385943 568742160 /nfs/dbraw/zinc/74/21/60/568742160.db2.gz FEBRKGJHBVKPNU-UHFFFAOYSA-N 0 0 400.482 3.239 50 0 HGAARN Cc1cc(C)cc(C(=O)NCCn2c3ncccc3n(Cc3ccccc3)c2=O)c1 ZINC000096385953 568742328 /nfs/dbraw/zinc/74/23/28/568742328.db2.gz HAWZBDIPFWARBT-UHFFFAOYSA-N 0 0 400.482 3.293 50 0 HGAARN COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](n3c(C)nc4ccccc43)C2)cc1 ZINC000585149208 568742865 /nfs/dbraw/zinc/74/28/65/568742865.db2.gz BRRHKGIEGCKNAB-INIZCTEOSA-N 0 0 414.487 3.159 50 0 HGAARN O=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)Nc1cccc(C(F)(F)F)c1 ZINC000585147793 568742885 /nfs/dbraw/zinc/74/28/85/568742885.db2.gz TXJKLIQCHXNEIH-UHFFFAOYSA-N 0 0 411.405 3.378 50 0 HGAARN Cc1oc(C2CCN(C(=O)c3cc(C)cc(C)c3)CC2)nc1C(=O)N1CCOCC1 ZINC000096396972 568745659 /nfs/dbraw/zinc/74/56/59/568745659.db2.gz QASRFSAHFUYLKL-UHFFFAOYSA-N 0 0 411.502 3.092 50 0 HGAARN Cc1ccc(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc1C ZINC000096398457 568747101 /nfs/dbraw/zinc/74/71/01/568747101.db2.gz FMRRCQQXAORQLY-GOSISDBHSA-N 0 0 412.555 3.259 50 0 HGAARN CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3F)c2)C1 ZINC000021709506 568748384 /nfs/dbraw/zinc/74/83/84/568748384.db2.gz DZADMPWTRVJFDS-KRWDZBQOSA-N 0 0 411.477 3.456 50 0 HGAARN CNC(=O)[C@@H]1CN(Cc2c(C)nn(Cc3ccccc3)c2Cl)c2ccccc2O1 ZINC000052049093 568749940 /nfs/dbraw/zinc/74/99/40/568749940.db2.gz ZHUGUPKEUCQEPA-FQEVSTJZSA-N 0 0 410.905 3.407 50 0 HGAARN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O ZINC000021722973 568750820 /nfs/dbraw/zinc/75/08/20/568750820.db2.gz FXSPWBJTQSZUCI-UHFFFAOYSA-N 0 0 420.856 3.148 50 0 HGAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccnc1N1CCSCC1 ZINC000052078574 568751095 /nfs/dbraw/zinc/75/10/95/568751095.db2.gz CPJDMXUMSAOMGK-INIZCTEOSA-N 0 0 400.529 3.076 50 0 HGAARN COc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)c1 ZINC000000937617 568751693 /nfs/dbraw/zinc/75/16/93/568751693.db2.gz CKOWZQWOOMYWEX-UHFFFAOYSA-N 0 0 419.528 3.492 50 0 HGAARN 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569068847 /nfs/dbraw/zinc/06/88/47/569068847.db2.gz OSJUCLAJZMPQKJ-HSZRJFAPSA-N 0 0 423.513 3.176 50 0 HGAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000006601153 569069792 /nfs/dbraw/zinc/06/97/92/569069792.db2.gz UQQSTWYYZRZUPT-UHFFFAOYSA-N 0 0 414.483 3.116 50 0 HGAARN CCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(F)cc2C)c1=O ZINC000064605068 569070962 /nfs/dbraw/zinc/07/09/62/569070962.db2.gz CVCGWVNLZYHTRK-UHFFFAOYSA-N 0 0 408.433 3.345 50 0 HGAARN CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)N2CCc3ccccc32)c1=O ZINC000064605078 569070980 /nfs/dbraw/zinc/07/09/80/569070980.db2.gz MVMGEOUUXZRGSM-UHFFFAOYSA-N 0 0 416.481 3.157 50 0 HGAARN COc1ccc(CCNC(=O)CCCCC(=O)NCCc2ccc(OC)cc2)cc1 ZINC000004542678 569071364 /nfs/dbraw/zinc/07/13/64/569071364.db2.gz QSKDNGWMVMSHSS-UHFFFAOYSA-N 0 0 412.530 3.282 50 0 HGAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O ZINC000006608609 569071894 /nfs/dbraw/zinc/07/18/94/569071894.db2.gz VHLYTWBVSDLMLK-OAQYLSRUSA-N 0 0 416.861 3.347 50 0 HGAARN CCC[C@H]1CCc2sc(C(=O)N3CCN(c4cc(C)nc5ncnn54)CC3)cc2C1 ZINC000426383121 569072623 /nfs/dbraw/zinc/07/26/23/569072623.db2.gz KFCXRKNZCSECGT-INIZCTEOSA-N 0 0 424.574 3.362 50 0 HGAARN CCc1ccc(CN2CCc3c(C(=O)N[C@@H](C)c4cnn(C)c4)csc3C2)nc1 ZINC000426412324 569072748 /nfs/dbraw/zinc/07/27/48/569072748.db2.gz CKRVZALYJJGTFF-HNNXBMFYSA-N 0 0 409.559 3.488 50 0 HGAARN CCc1cc(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)on1 ZINC000426555776 569073530 /nfs/dbraw/zinc/07/35/30/569073530.db2.gz BJODLMFRUMOXAX-UHFFFAOYSA-N 0 0 400.504 3.392 50 0 HGAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC[C@]4(CN(C)C(=O)O4)C3)cc12 ZINC000426597247 569073617 /nfs/dbraw/zinc/07/36/17/569073617.db2.gz OXZFIIGVUKHKQC-NRFANRHFSA-N 0 0 410.499 3.452 50 0 HGAARN CCCC[C@H](C(=O)OCC(=O)c1ccc(OC)cc1)N1C(=O)c2ccccc2C1=O ZINC000002064569 569073847 /nfs/dbraw/zinc/07/38/47/569073847.db2.gz KLLIJPYXPSRAHH-LJQANCHMSA-N 0 0 409.438 3.276 50 0 HGAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)c1C ZINC000006612882 569074270 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ZINC000006648224 569080733 /nfs/dbraw/zinc/08/07/33/569080733.db2.gz DTDHOUQZKBUUIQ-UHFFFAOYSA-N 0 0 418.453 3.379 50 0 HGAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccs3)C[C@@H]2C(=O)NCC(C)C)c1 ZINC000036045227 569081922 /nfs/dbraw/zinc/08/19/22/569081922.db2.gz VDKDTTVMALHEAW-ROUUACIJSA-N 0 0 416.543 3.393 50 0 HGAARN C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCn1ccnc1 ZINC000006660027 569083996 /nfs/dbraw/zinc/08/39/96/569083996.db2.gz TZWDQBJQUINVNF-ZDUSSCGKSA-N 0 0 415.877 3.105 50 0 HGAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1 ZINC000036054645 569084299 /nfs/dbraw/zinc/08/42/99/569084299.db2.gz PYQDNBZBXYDNHJ-MOPGFXCFSA-N 0 0 404.869 3.098 50 0 HGAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)N2CCCC2)c1 ZINC000036059322 569084631 /nfs/dbraw/zinc/08/46/31/569084631.db2.gz GGNDRAMWUVBWPE-FCHUYYIVSA-N 0 0 422.525 3.490 50 0 HGAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)N2CCCC2)c1 ZINC000036059324 569084661 /nfs/dbraw/zinc/08/46/61/569084661.db2.gz 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Cc1ccc(Cn2c(=O)c(C(=O)NC(C)C)nn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000036087862 569088423 /nfs/dbraw/zinc/08/84/23/569088423.db2.gz FVMLUOFYPOVMSG-UHFFFAOYSA-N 0 0 420.513 3.013 50 0 HGAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)COC ZINC000036121993 569095253 /nfs/dbraw/zinc/09/52/53/569095253.db2.gz RFABYCZLABYWGY-GOSISDBHSA-N 0 0 416.543 3.056 50 0 HGAARN CC(C)NC(=O)CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1 ZINC000064793538 569096149 /nfs/dbraw/zinc/09/61/49/569096149.db2.gz YEUXKMHSCBGDSA-LJQANCHMSA-N 0 0 408.893 3.302 50 0 HGAARN COC[C@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146550 569098771 /nfs/dbraw/zinc/09/87/71/569098771.db2.gz SOKAAQBZUXDCPM-MOPGFXCFSA-N 0 0 406.885 3.482 50 0 HGAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)COC)[C@@H](C)c2ccccc2)c1 ZINC000006723287 569100373 /nfs/dbraw/zinc/10/03/73/569100373.db2.gz KSAQFBIKBWRATR-KRWDZBQOSA-N 0 0 413.518 3.074 50 0 HGAARN CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]1c1cccs1 ZINC000006725265 569100865 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NS(=O)(=O)c1ccc(NC(=O)c2cc3occc3n2Cc2ccccc2F)cc1 ZINC000036353902 569147883 /nfs/dbraw/zinc/14/78/83/569147883.db2.gz ULWWDDFJUYJHEP-UHFFFAOYSA-N 0 0 413.430 3.321 50 0 HGAARN Cn1c(=O)c(-c2cn3ccccc3n2)c(-c2ccc(Cl)cc2Cl)n(C)c1=O ZINC000036354435 569147986 /nfs/dbraw/zinc/14/79/86/569147986.db2.gz CJVAARGFSCTUIG-UHFFFAOYSA-N 0 0 401.253 3.373 50 0 HGAARN COc1ccc(-n2cnc3cc(C(=O)N4CCSCC4)ccc3c2=O)cc1Cl ZINC000036357236 569148792 /nfs/dbraw/zinc/14/87/92/569148792.db2.gz UZSPJDMEWWSBJS-UHFFFAOYSA-N 0 0 415.902 3.237 50 0 HGAARN Cc1c(Cl)cccc1S(=O)(=O)NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000064991714 569149011 /nfs/dbraw/zinc/14/90/11/569149011.db2.gz YFQONRVDKTYOSF-UHFFFAOYSA-N 0 0 422.919 3.231 50 0 HGAARN COc1ccc(Cn2nnc(C(=O)NCc3ccc(F)cc3F)c2-n2cccc2)cc1 ZINC000064999481 569150883 /nfs/dbraw/zinc/15/08/83/569150883.db2.gz MAPRTMOAJYFCRB-UHFFFAOYSA-N 0 0 423.423 3.334 50 0 HGAARN C[C@H](CCc1ccccc1)NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839744 569151176 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569208758 /nfs/dbraw/zinc/20/87/58/569208758.db2.gz SWUSNEITSFIWBN-FQEVSTJZSA-N 0 0 410.514 3.028 50 0 HGAARN COc1ccc(-c2cc(C(=O)NCCCn3nccc3C)c3c(C)nn(C)c3n2)cc1 ZINC000036613420 569209203 /nfs/dbraw/zinc/20/92/03/569209203.db2.gz MRPYQJVTIKWPDC-UHFFFAOYSA-N 0 0 418.501 3.277 50 0 HGAARN O=C(NCc1ccccn1)[C@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259855 569210780 /nfs/dbraw/zinc/21/07/80/569210780.db2.gz ITMIDSGCYPITAG-QGZVFWFLSA-N 0 0 419.572 3.031 50 0 biogenic HGAARN CSCC[C@@H](C(=O)Nc1ccc(Cl)nc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732267 569212622 /nfs/dbraw/zinc/21/26/22/569212622.db2.gz ATWSHRDRHUCANJ-AWEZNQCLSA-N 0 0 404.879 3.083 50 0 HGAARN COc1ccc(CC(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)cc1 ZINC000065265943 569213124 /nfs/dbraw/zinc/21/31/24/569213124.db2.gz GVRNPWYPPACKLB-RUZDIDTESA-N 0 0 420.557 3.430 50 0 HGAARN CCn1cc(C(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)c(=O)c2ccc(C)nc21 ZINC000524732564 569213209 /nfs/dbraw/zinc/21/32/09/569213209.db2.gz BDLAANOCWXCPMW-SFHVURJKSA-N 0 0 407.470 3.159 50 0 HGAARN CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1 ZINC000007057165 569214442 /nfs/dbraw/zinc/21/44/42/569214442.db2.gz CDGCKYIOWGCWOW-FQEVSTJZSA-N 0 0 400.475 3.496 50 0 HGAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3ccnc(-c4ccccc4)c3n2)CC1 ZINC000065274350 569215059 /nfs/dbraw/zinc/21/50/59/569215059.db2.gz JPSJXYGFOXCSML-UHFFFAOYSA-N 0 0 407.474 3.089 50 0 HGAARN CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(N4CCCC4=O)c3)cn2)C1=O ZINC000065272288 569215642 /nfs/dbraw/zinc/21/56/42/569215642.db2.gz DYWJOMMAFDNOFY-UHFFFAOYSA-N 0 0 407.474 3.031 50 0 HGAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272869 569215957 /nfs/dbraw/zinc/21/59/57/569215957.db2.gz BWZRDPGDNCWQNL-AWEZNQCLSA-N 0 0 412.511 3.499 50 0 HGAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(F)cc2)CC3)CC1 ZINC000065273496 569216130 /nfs/dbraw/zinc/21/61/30/569216130.db2.gz GCIBWVKDPCGEMT-CQSZACIVSA-N 0 0 416.522 3.084 50 0 HGAARN O=C(Nc1cnn(-c2ncncc2N2CCSCC2)c1)c1ccc(Cl)s1 ZINC000065283036 569216378 /nfs/dbraw/zinc/21/63/78/569216378.db2.gz WXTVQHSQGSNVCO-UHFFFAOYSA-N 0 0 406.924 3.183 50 0 HGAARN O=C(Nc1cnn(-c2ncncc2N2CCSCC2)c1)c1cccc(Cl)c1 ZINC000065283037 569216401 /nfs/dbraw/zinc/21/64/01/569216401.db2.gz GXIIGZFCIBUZAD-UHFFFAOYSA-N 0 0 400.895 3.121 50 0 HGAARN O=C(NCc1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(Br)o1 ZINC000036662259 569217339 /nfs/dbraw/zinc/21/73/39/569217339.db2.gz UZNORPBGXJGKAL-UHFFFAOYSA-N 0 0 405.204 3.398 50 0 HGAARN O=C(Cn1ncc2c1ncnc2N1CCCCCC1)NCc1ccc(F)c(Cl)c1 ZINC000065295306 569218747 /nfs/dbraw/zinc/21/87/47/569218747.db2.gz CQYSBQMZBXCCDJ-UHFFFAOYSA-N 0 0 416.888 3.316 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3cccc(C)c3C)c(=O)n2c(Nc2ccccc2)n1 ZINC000065307753 569219849 /nfs/dbraw/zinc/21/98/49/569219849.db2.gz XDXPQLXMYQEOPY-UHFFFAOYSA-N 0 0 402.458 3.199 50 0 HGAARN Cc1ccc(Nc2nc(C)cc3nn(CC(=O)Nc4cccc(C)c4)c(=O)n32)cc1 ZINC000065307799 569219881 /nfs/dbraw/zinc/21/98/81/569219881.db2.gz LZKBAYJKQDNITQ-UHFFFAOYSA-N 0 0 402.458 3.199 50 0 HGAARN Cc1noc2nc(CCC(=O)NCc3ccccn3)nc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000065305596 569220502 /nfs/dbraw/zinc/22/05/02/569220502.db2.gz YWQUOPOXRMIOED-GASCZTMLSA-N 0 0 408.506 3.053 50 0 HGAARN CSc1cccc(NC(=O)CN2c3cc(F)ccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000065306929 569220774 /nfs/dbraw/zinc/22/07/74/569220774.db2.gz VHSFQKKRVVUWBM-QGZVFWFLSA-N 0 0 413.474 3.138 50 0 HGAARN CCCc1cc(N2CCN(C(=O)[C@H](C)c3ccccc3)CC2)nc2nnc(CC)n21 ZINC000065312084 569221221 /nfs/dbraw/zinc/22/12/21/569221221.db2.gz RVUOXFNHFRVSPR-QGZVFWFLSA-N 0 0 406.534 3.092 50 0 HGAARN O=C(Nc1cccc(OC(F)(F)F)c1)C1CCN(c2nnc3ccccn32)CC1 ZINC000065312430 569221539 /nfs/dbraw/zinc/22/15/39/569221539.db2.gz IBNSNECPVCSUHW-UHFFFAOYSA-N 0 0 405.380 3.483 50 0 HGAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2)C(=O)N1CCNC1=O ZINC000007119928 569221794 /nfs/dbraw/zinc/22/17/94/569221794.db2.gz YBGUEHJAZZOICV-HUUCEWRRSA-N 0 0 423.513 3.483 50 0 HGAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)CC2)C(=O)N1CCNC1=O ZINC000007119930 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571125745 /nfs/dbraw/zinc/12/57/45/571125745.db2.gz NJQWJQRKWDYNFU-NCUFVCKSSA-N 0 0 413.390 3.483 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)C[C@@H](C)O1 ZINC000008855982 571128007 /nfs/dbraw/zinc/12/80/07/571128007.db2.gz ATNDMNBSNRJTBR-ZIAGYGMSSA-N 0 0 408.907 3.390 50 0 HGAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccccn3)c3ccccc23)cc1 ZINC000008865390 571128996 /nfs/dbraw/zinc/12/89/96/571128996.db2.gz DGUHNPXXSJMABP-UHFFFAOYSA-N 0 0 419.506 3.494 50 0 HGAARN Cc1cc(NC(=O)CN(C)Cc2cnn(Cc3ccccc3)c2)n(-c2ccccc2)n1 ZINC000008879951 571131420 /nfs/dbraw/zinc/13/14/20/571131420.db2.gz IXVZQYLZZOULIL-UHFFFAOYSA-N 0 0 414.513 3.496 50 0 HGAARN Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1 ZINC000039403996 571132168 /nfs/dbraw/zinc/13/21/68/571132168.db2.gz WPAGQERSNQNZQJ-UHFFFAOYSA-N 0 0 403.446 3.410 50 0 HGAARN CCN(CC)c1nc2sc(C(=O)NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)cc2s1 ZINC000039563684 571133351 /nfs/dbraw/zinc/13/33/51/571133351.db2.gz XOTMPPLPIUVYMK-BFHYXJOUSA-N 0 0 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Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000040071911 571152482 /nfs/dbraw/zinc/15/24/82/571152482.db2.gz FKNCRAACTWPGAM-OAQYLSRUSA-N 0 0 413.566 3.035 50 0 HGAARN Cn1ccnc1[C@H](NC(=O)NCc1cnn(-c2ccccc2)c1)c1cccc(F)c1 ZINC000040071902 571152504 /nfs/dbraw/zinc/15/25/04/571152504.db2.gz HEJWKTBOFSQMLR-HXUWFJFHSA-N 0 0 404.449 3.334 50 0 HGAARN O=C(c1cc2c(s1)CCC2)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000040071982 571152623 /nfs/dbraw/zinc/15/26/23/571152623.db2.gz XZYPKPZQZJANJT-UHFFFAOYSA-N 0 0 400.529 3.306 50 0 HGAARN C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(=O)c2ccccc2)C1 ZINC000040072359 571152821 /nfs/dbraw/zinc/15/28/21/571152821.db2.gz RTNSHIYPAHXRNM-UKRRQHHQSA-N 0 0 417.552 3.477 50 0 HGAARN Cc1nc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)nn1-c1ccc(F)cc1 ZINC000040080302 571155523 /nfs/dbraw/zinc/15/55/23/571155523.db2.gz DUHXCTGEYSRUCI-KRWDZBQOSA-N 0 0 409.469 3.010 50 0 HGAARN CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040086240 571156840 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HGAARN Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)nn1C ZINC000015071171 558712967 /nfs/dbraw/zinc/71/29/67/558712967.db2.gz DLYPLGNTLNLWTN-UHFFFAOYSA-N 0 0 419.485 3.407 50 0 HGAARN Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2c(F)cccc2Cl)cc1C ZINC000029369067 558714215 /nfs/dbraw/zinc/71/42/15/558714215.db2.gz KRHMZZGVLPAQNE-UHFFFAOYSA-N 0 0 412.914 3.423 50 0 HGAARN COc1ccccc1N(Cc1nnnn1C1CC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000029370083 558714220 /nfs/dbraw/zinc/71/42/20/558714220.db2.gz OJDMLBYOMZYBQF-UHFFFAOYSA-N 0 0 419.894 3.066 50 0 HGAARN COc1cccc2c1OCCCN(C(=O)c1cc(Cn3ccnc3C(C)C)n[nH]1)C2 ZINC000015073633 558714491 /nfs/dbraw/zinc/71/44/91/558714491.db2.gz YOOWODBYNDCAMR-UHFFFAOYSA-N 0 0 409.490 3.211 50 0 HGAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](C)Oc1cccnc1 ZINC000072287249 558719248 /nfs/dbraw/zinc/71/92/48/558719248.db2.gz ZAESLJTYYCNMCU-ZDUSSCGKSA-N 0 0 406.280 3.017 50 0 HGAARN COc1ccc(C)cc1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000029754154 558720125 /nfs/dbraw/zinc/72/01/25/558720125.db2.gz YMCIECFPIQEJGP-HSZRJFAPSA-N 0 0 407.470 3.331 50 0 HGAARN O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cccs1 ZINC000004553830 558720943 /nfs/dbraw/zinc/72/09/43/558720943.db2.gz JFTSCLLNPVDJPR-HNNXBMFYSA-N 0 0 413.567 3.303 50 0 HGAARN Cc1cc2c(cc1S(=O)(=O)N1CCOCC1)Oc1cc(Cl)ccc1C(=O)N2 ZINC000015107732 558723501 /nfs/dbraw/zinc/72/35/01/558723501.db2.gz YHXREERCVPYIIF-UHFFFAOYSA-N 0 0 408.863 3.027 50 0 HGAARN COc1ccc(C(=O)Nc2c(C)c(C)c3c(c2C)NC(=O)CO3)c(OC)c1OC ZINC000015108704 558723598 /nfs/dbraw/zinc/72/35/98/558723598.db2.gz SGYSRIWAHKHCQM-UHFFFAOYSA-N 0 0 400.431 3.221 50 0 HGAARN COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c1 ZINC000029985847 558725394 /nfs/dbraw/zinc/72/53/94/558725394.db2.gz WOEUFKAKJSXDGJ-UHFFFAOYSA-N 0 0 405.498 3.453 50 0 HGAARN O=C(COc1ccc(F)cc1Cl)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000015175403 558726798 /nfs/dbraw/zinc/72/67/98/558726798.db2.gz OHFDGXIENXNEHV-UHFFFAOYSA-N 0 0 404.869 3.413 50 0 HGAARN CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2=O)c1 ZINC000030218026 558728157 /nfs/dbraw/zinc/72/81/57/558728157.db2.gz MOVXELWCMIFMQP-IBGZPJMESA-N 0 0 420.538 3.323 50 0 HGAARN Cc1cccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000015228745 558728974 /nfs/dbraw/zinc/72/89/74/558728974.db2.gz GLMALOBLLVRTSU-HNNXBMFYSA-N 0 0 423.494 3.419 50 0 HGAARN CCNc1nc(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)nc2ccccc21 ZINC000030342797 558729113 /nfs/dbraw/zinc/72/91/13/558729113.db2.gz YZUWUDZIBHOQSG-UHFFFAOYSA-N 0 0 416.528 3.408 50 0 HGAARN COC(=O)c1cccc(OC[C@@H](O)CSc2nnc(C)n2-c2ccc(C)cc2)c1 ZINC000015233862 558729241 /nfs/dbraw/zinc/72/92/41/558729241.db2.gz HNKYQMVSEJAEJS-GOSISDBHSA-N 0 0 413.499 3.203 50 0 HGAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000030495662 558730778 /nfs/dbraw/zinc/73/07/78/558730778.db2.gz UDMJUKHYEWPPJE-HXUWFJFHSA-N 0 0 400.500 3.348 50 0 HGAARN O=C(c1cc2ccccc2cc1OC[C@@H](O)COc1ccccc1)N1CCOCC1 ZINC000030533065 558731953 /nfs/dbraw/zinc/73/19/53/558731953.db2.gz DGDHOKGAUBODSB-FQEVSTJZSA-N 0 0 407.466 3.131 50 0 HGAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4cn(C)c5ccccc45)CC3)n2)cc1 ZINC000032891444 558732101 /nfs/dbraw/zinc/73/21/01/558732101.db2.gz HGSSSHWZHQQMIM-UHFFFAOYSA-N 0 0 415.497 3.495 50 0 HGAARN Cc1cc(C(=O)COC(=O)c2cccn2C)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000004564369 558733563 /nfs/dbraw/zinc/73/35/63/558733563.db2.gz YAXKPFPFLOQLOR-QGZVFWFLSA-N 0 0 408.454 3.323 50 0 HGAARN CCOc1ccc(-c2noc(CCC(=O)NCc3ccnc(N4CCCC4)c3)n2)cc1 ZINC000030610273 558734142 /nfs/dbraw/zinc/73/41/42/558734142.db2.gz WSXGVSJUUOIDME-UHFFFAOYSA-N 0 0 421.501 3.380 50 0 HGAARN COC(=O)c1c(CN(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1-c1ccccc1 ZINC000015376315 558736314 /nfs/dbraw/zinc/73/63/14/558736314.db2.gz BOAVIZPBCQSBBM-KRWDZBQOSA-N 0 0 424.522 3.307 50 0 HGAARN CCS(=O)(=O)N1CCc2cc(C3=NNC(=Nc4ccccc4)SC3)ccc21 ZINC000015404667 558737910 /nfs/dbraw/zinc/73/79/10/558737910.db2.gz KPZVZKWRVZVZHA-UHFFFAOYSA-N 0 0 400.529 3.318 50 0 HGAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCC[C@@H]3O)c2)cc1 ZINC000072293724 558738160 /nfs/dbraw/zinc/73/81/60/558738160.db2.gz VUCLTNDDTIWXRI-RXVVDRJESA-N 0 0 416.543 3.101 50 0 HGAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000030877349 558743715 /nfs/dbraw/zinc/74/37/15/558743715.db2.gz FPAJOSXOYQWIGN-UHFFFAOYSA-N 0 0 422.485 3.058 50 0 HGAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000072294598 558743721 /nfs/dbraw/zinc/74/37/21/558743721.db2.gz XKZGIVGAUAXHHK-UHFFFAOYSA-N 0 0 405.472 3.049 50 0 HGAARN COc1ccc(CNC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955208 558746996 /nfs/dbraw/zinc/74/69/96/558746996.db2.gz HBCNZYSGMNTHJA-UHFFFAOYSA-N 0 0 406.486 3.274 50 0 HGAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000015635015 558747020 /nfs/dbraw/zinc/74/70/20/558747020.db2.gz RBBOVWWZXGGGKL-ZDUSSCGKSA-N 0 0 422.384 3.085 50 0 HGAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)[NH2+]CC2 ZINC000004577247 558751084 /nfs/dbraw/zinc/75/10/84/558751084.db2.gz OLBLALJILDGNIY-JOCHJYFZSA-N 0 0 401.459 3.191 50 0 biogenic HGAARN COc1cc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1O ZINC000004577804 558754439 /nfs/dbraw/zinc/75/44/39/558754439.db2.gz HIWBRHNPKYABSM-CQRAXGMXSA-N 0 0 400.412 3.194 50 0 HGAARN C/C=C/c1ccc(OCC(=O)NC[C@H](CO)Cc2cc(F)ccc2F)c(OC)c1 ZINC000072303118 558755276 /nfs/dbraw/zinc/75/52/76/558755276.db2.gz KGKAEEIHYCCENI-QDLOVBKTSA-N 0 0 405.441 3.353 50 0 HGAARN CCC[C@H]1CCN(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)C1 ZINC000072305517 558760046 /nfs/dbraw/zinc/76/00/46/558760046.db2.gz YQGHHWDZHYALEW-SFHVURJKSA-N 0 0 404.532 3.428 50 0 HGAARN COc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2SCCc3ccccc32)n1 ZINC000072305579 558760938 /nfs/dbraw/zinc/76/09/38/558760938.db2.gz BOQXGGDHJQZUFB-SFHVURJKSA-N 0 0 423.498 3.280 50 0 HGAARN O=C(Nc1nc2ccccc2s1)c1ccc(SCCN2CCOCC2)nc1 ZINC000033115235 558761296 /nfs/dbraw/zinc/76/12/96/558761296.db2.gz HOCYCWYUGAONSP-UHFFFAOYSA-N 0 0 400.529 3.368 50 0 HGAARN O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000015905370 558761303 /nfs/dbraw/zinc/76/13/03/558761303.db2.gz NXSSGYPVVHRRQW-QTDGGUCWSA-N 0 0 408.885 3.303 50 0 HGAARN COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC(C)C)CC3)cc2)c1 ZINC000033115545 558761808 /nfs/dbraw/zinc/76/18/08/558761808.db2.gz OVGBERYLQHPXLF-UHFFFAOYSA-N 0 0 402.516 3.300 50 0 HGAARN COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)c1 ZINC000060127383 558762570 /nfs/dbraw/zinc/76/25/70/558762570.db2.gz XFHAGABKMCSOFJ-UHFFFAOYSA-N 0 0 403.456 3.101 50 0 HGAARN CCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3cccc(OC)c3)cc2)CC1 ZINC000033274843 558764579 /nfs/dbraw/zinc/76/45/79/558764579.db2.gz QBXFQWHFNBHMAH-UHFFFAOYSA-N 0 0 402.516 3.444 50 0 HGAARN COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000016021612 558767658 /nfs/dbraw/zinc/76/76/58/558767658.db2.gz CYTJZHFCFDYJGP-WMZHIEFXSA-N 0 0 418.405 3.378 50 0 HGAARN O=C(CCS(=O)(=O)c1ccccc1Cl)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000016103890 558771846 /nfs/dbraw/zinc/77/18/46/558771846.db2.gz UFZYKELMRVVKCO-UHFFFAOYSA-N 0 0 403.790 3.464 50 0 HGAARN CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(I)cc1 ZINC000016193512 558777553 /nfs/dbraw/zinc/77/75/53/558777553.db2.gz XGIHXAIMIJXJNJ-FOWTUZBSSA-N 0 0 420.250 3.198 50 0 HGAARN COc1cc2c(cc1OC)[C@@H]1CN3CCc4cc(OC)c(OC)cc4[C@H]3CN1CC2 ZINC000022940423 558779594 /nfs/dbraw/zinc/77/95/94/558779594.db2.gz GMQSAPMDFWUBGN-BGYRXZFFSA-N 0 0 410.514 3.233 50 0 biogenic HGAARN Cc1nn(C)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000016237055 558780234 /nfs/dbraw/zinc/78/02/34/558780234.db2.gz JDPSOVLTSCJROD-UHFFFAOYSA-N 0 0 424.526 3.431 50 0 HGAARN CCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)Cc1ccccc1 ZINC000004427953 558780598 /nfs/dbraw/zinc/78/05/98/558780598.db2.gz HLLDOSJTEDYMOD-NRFANRHFSA-N 0 0 410.514 3.154 50 0 HGAARN C[C@@H]([C@H](O)c1ccccc1)N(C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000005061002 558781464 /nfs/dbraw/zinc/78/14/64/558781464.db2.gz MTEJNBMIYJMXNT-HJPURHCSSA-N 0 0 404.514 3.220 50 0 HGAARN Cc1ccc(NC(=S)NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000016308506 558784812 /nfs/dbraw/zinc/78/48/12/558784812.db2.gz XHAZJBHVERTCTO-IBGZPJMESA-N 0 0 420.441 3.265 50 0 HGAARN CN(CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccccc1N1CCOCC1 ZINC000016425159 558790566 /nfs/dbraw/zinc/79/05/66/558790566.db2.gz JOPJCGXNUCAJDT-UHFFFAOYSA-N 0 0 407.967 3.329 50 0 HGAARN CCN1C[C@H](CN(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)Oc2ccccc21 ZINC000016423469 558790726 /nfs/dbraw/zinc/79/07/26/558790726.db2.gz XADONMJIQNKGTJ-KRWDZBQOSA-N 0 0 424.501 3.473 50 0 HGAARN Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)CC3=O)c2c1 ZINC000035558720 558793313 /nfs/dbraw/zinc/79/33/13/558793313.db2.gz GKNWCEPGMRBRGZ-KRWDZBQOSA-N 0 0 419.481 3.277 50 0 HGAARN CCCCS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000035744900 558795003 /nfs/dbraw/zinc/79/50/03/558795003.db2.gz YZDIZKFEIBXQIJ-UHFFFAOYSA-N 0 0 415.559 3.499 50 0 HGAARN CCN1CCN(C(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 ZINC000035805456 558795253 /nfs/dbraw/zinc/79/52/53/558795253.db2.gz UUIMAYFLCRSSSC-SJORKVTESA-N 0 0 407.440 3.321 50 0 HGAARN COc1ccc(OC)c([C@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000036060576 558797364 /nfs/dbraw/zinc/79/73/64/558797364.db2.gz POJDXTXNEYBXOV-RTBURBONSA-N 0 0 417.550 3.240 50 0 HGAARN O=C1C[C@@H](N2CCc3c4cc(Cl)ccc4[nH]c3C2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000036125701 558797984 /nfs/dbraw/zinc/79/79/84/558797984.db2.gz KPQHIINAESLNPY-GOSISDBHSA-N 0 0 423.856 3.240 50 0 HGAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)N3CCc4ccccc43)n2)ccc1C ZINC000016651548 558798022 /nfs/dbraw/zinc/79/80/22/558798022.db2.gz RQPJQMSBEFFFNT-MRXNPFEDSA-N 0 0 416.481 3.327 50 0 HGAARN COc1cccc(C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146486 558798143 /nfs/dbraw/zinc/79/81/43/558798143.db2.gz YFXVDJMYIPCDOF-GGAORHGYSA-N 0 0 412.530 3.476 50 0 HGAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)ccc1C ZINC000016652523 558798334 /nfs/dbraw/zinc/79/83/34/558798334.db2.gz OVWAKTXWJUCLHU-UHFFFAOYSA-N 0 0 412.396 3.094 50 0 HGAARN COC(=O)[C@H](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OCc1ccccc1 ZINC000016697312 558801319 /nfs/dbraw/zinc/80/13/19/558801319.db2.gz BRROATQELOFYBR-ROUUACIJSA-N 0 0 420.506 3.492 50 0 HGAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCO1 ZINC000032975815 558803283 /nfs/dbraw/zinc/80/32/83/558803283.db2.gz NTCINOXWIBQOAD-WFASDCNBSA-N 0 0 405.347 3.140 50 0 HGAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc(CN2CCCC2)cs1)c1ccco1 ZINC000032978604 558803703 /nfs/dbraw/zinc/80/37/03/558803703.db2.gz AFQYUNURQNOWQT-GOSISDBHSA-N 0 0 424.526 3.312 50 0 HGAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NC3CCCC3)s2)cc1 ZINC000032986983 558806920 /nfs/dbraw/zinc/80/69/20/558806920.db2.gz LFNKEKHSCIRMLT-UHFFFAOYSA-N 0 0 406.533 3.091 50 0 HGAARN CCOC(=O)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000032986873 558806943 /nfs/dbraw/zinc/80/69/43/558806943.db2.gz MDHKSBRQAJVQTR-OAHLLOKOSA-N 0 0 400.378 3.285 50 0 HGAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCc3ccccc3)s2)cc1 ZINC000032987785 558807825 /nfs/dbraw/zinc/80/78/25/558807825.db2.gz CYWTWKGMBYQLQG-UHFFFAOYSA-N 0 0 424.526 3.481 50 0 biogenic HGAARN Cn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000016840950 558808049 /nfs/dbraw/zinc/80/80/49/558808049.db2.gz LEGGSRXYYMBAPG-UHFFFAOYSA-N 0 0 422.485 3.476 50 0 HGAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000013494909 558808334 /nfs/dbraw/zinc/80/83/34/558808334.db2.gz UUKNCDSLTJMCTH-LLVKDONJSA-N 0 0 420.878 3.388 50 0 HGAARN Cc1cc2occ(CC(=O)NCc3ccc(S(N)(=O)=O)s3)c2cc1C(C)C ZINC000032988849 558808353 /nfs/dbraw/zinc/80/83/53/558808353.db2.gz NSAVAOLJJGJPEL-UHFFFAOYSA-N 0 0 406.529 3.432 50 0 HGAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000013494911 558808377 /nfs/dbraw/zinc/80/83/77/558808377.db2.gz UUKNCDSLTJMCTH-NSHDSACASA-N 0 0 420.878 3.388 50 0 HGAARN O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1ccccn1 ZINC000032995171 558809376 /nfs/dbraw/zinc/80/93/76/558809376.db2.gz MGXSWDQDPWYROA-UHFFFAOYSA-N 0 0 415.906 3.478 50 0 HGAARN COc1ccc(OC)c(Nc2nc(NCCCO)nc3c2cnn3-c2ccccc2)c1 ZINC000016944493 558809663 /nfs/dbraw/zinc/80/96/63/558809663.db2.gz ZRQUZYCMGQNXGW-UHFFFAOYSA-N 0 0 420.473 3.371 50 0 HGAARN COc1cccc(CNC(=O)CCCc2nnc(C(=O)Nc3ccccc3)s2)c1 ZINC000032995289 558809700 /nfs/dbraw/zinc/80/97/00/558809700.db2.gz VHRZJJJERGDMNI-UHFFFAOYSA-N 0 0 410.499 3.438 50 0 HGAARN Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N([C@H](C)CCc2ccccc2)C1=O ZINC000016993834 558811124 /nfs/dbraw/zinc/81/11/24/558811124.db2.gz XKZHFSRLQGIMQN-OSPHWJPCSA-N 0 0 405.498 3.073 50 0 HGAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038528414 558812033 /nfs/dbraw/zinc/81/20/33/558812033.db2.gz WCDDXHBLLCZBTN-UHFFFAOYSA-N 0 0 415.925 3.091 50 0 HGAARN CSc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCC(C)CC1 ZINC000017070403 558813701 /nfs/dbraw/zinc/81/37/01/558813701.db2.gz IFYPVOMYHZGGLH-UHFFFAOYSA-N 0 0 408.545 3.352 50 0 HGAARN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000017091467 558820107 /nfs/dbraw/zinc/82/01/07/558820107.db2.gz HKAOJYVQOOYVOC-OKILXGFUSA-N 0 0 418.515 3.258 50 0 HGAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)N1 ZINC000017092430 558820936 /nfs/dbraw/zinc/82/09/36/558820936.db2.gz QCRYEAQLNIRWOI-HNNXBMFYSA-N 0 0 420.750 3.185 50 0 HGAARN COc1ccc(OC)c(Nc2nc(NC[C@H](C)O)nc3c2cnn3-c2ccccc2)c1 ZINC000017113795 558822989 /nfs/dbraw/zinc/82/29/89/558822989.db2.gz GVUWHWKSEPZJMC-AWEZNQCLSA-N 0 0 420.473 3.369 50 0 HGAARN Cc1ccc(C)c(CNC(=O)Cn2c(C)ccc(NC(=O)c3ccccc3)c2=O)c1 ZINC000097938335 558824893 /nfs/dbraw/zinc/82/48/93/558824893.db2.gz AUBKXLIDPUDEJS-UHFFFAOYSA-N 0 0 403.482 3.342 50 0 HGAARN CCOC(=O)C1CCN(C(=O)c2nc3ccccn3c2-c2ccc(OC)cc2)CC1 ZINC000097939306 558825547 /nfs/dbraw/zinc/82/55/47/558825547.db2.gz ONIORQRWZUXFAR-UHFFFAOYSA-N 0 0 407.470 3.425 50 0 HGAARN CCN(CC(=O)NCc1cccs1)C(=O)COc1cccc(C(F)(F)F)c1 ZINC000032999691 558826100 /nfs/dbraw/zinc/82/61/00/558826100.db2.gz FBNBZKXYBKNXDW-UHFFFAOYSA-N 0 0 400.422 3.311 50 0 HGAARN CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1cccnc1 ZINC000017296856 558826576 /nfs/dbraw/zinc/82/65/76/558826576.db2.gz JKCITCZQIFAOKA-HNNXBMFYSA-N 0 0 400.504 3.308 50 0 HGAARN O=C(NCc1ccccc1)c1nc[nH]c1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000033003627 558826947 /nfs/dbraw/zinc/82/69/47/558826947.db2.gz VAJVMEWEBANBOF-UHFFFAOYSA-N 0 0 402.376 3.289 50 0 HGAARN Cc1nn(-c2nc(CC(=O)N3CCN(c4ccccc4)CC3)cs2)c(C)c1Cl ZINC000033004464 558827058 /nfs/dbraw/zinc/82/70/58/558827058.db2.gz BZFUWMMAMRCSSX-UHFFFAOYSA-N 0 0 415.950 3.490 50 0 HGAARN CC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2C)s1 ZINC000033007758 558828705 /nfs/dbraw/zinc/82/87/05/558828705.db2.gz SWKOZHQDEQOMBJ-UHFFFAOYSA-N 0 0 418.500 3.322 50 0 HGAARN Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)s1 ZINC000010623843 558829569 /nfs/dbraw/zinc/82/95/69/558829569.db2.gz HIBMZBRJAXZSGR-UHFFFAOYSA-N 0 0 419.572 3.370 50 0 HGAARN Cc1ccc(S(=O)(=O)N(Cc2nc3nc(C)cc(C)n3n2)Cc2ccccc2)cc1 ZINC000033014239 558834031 /nfs/dbraw/zinc/83/40/31/558834031.db2.gz MQLLTJJQYWBYFW-UHFFFAOYSA-N 0 0 421.526 3.441 50 0 HGAARN CCOC(=O)[C@H]1CSCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000033016126 558834531 /nfs/dbraw/zinc/83/45/31/558834531.db2.gz VNAQKJPAJSPWSP-GOSISDBHSA-N 0 0 413.543 3.397 50 0 HGAARN CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000004599257 558835080 /nfs/dbraw/zinc/83/50/80/558835080.db2.gz GANPJGZRVDDEMH-INIZCTEOSA-N 0 0 403.548 3.316 50 0 HGAARN COc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1 ZINC000013514348 558835649 /nfs/dbraw/zinc/83/56/49/558835649.db2.gz JPHFQMAHCVPRRP-GDNBJRDFSA-N 0 0 414.284 3.137 50 0 HGAARN CCOC(=O)c1sc(NC(=O)Cc2csc(-n3nc(C)cc3C)n2)nc1C ZINC000033019495 558836139 /nfs/dbraw/zinc/83/61/39/558836139.db2.gz QHQINFWQJYSQFO-UHFFFAOYSA-N 0 0 405.505 3.068 50 0 HGAARN Cc1cccc(N2CCN(C(=O)Nc3ccc(CCN4CCOCC4)cc3)[C@H](C)C2)n1 ZINC000072313607 558840743 /nfs/dbraw/zinc/84/07/43/558840743.db2.gz WSPAMSBDXNHAOJ-HXUWFJFHSA-N 0 0 423.561 3.007 50 0 HGAARN Cc1ccccc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000019112622 558841694 /nfs/dbraw/zinc/84/16/94/558841694.db2.gz MWVWKYYLFYNUFB-OAQYLSRUSA-N 0 0 420.557 3.371 50 0 HGAARN COCCn1c2cnccc2nc1[C@@H]1CCN(C(=O)c2ccc(Cl)cc2OC)C1 ZINC000065292962 558841772 /nfs/dbraw/zinc/84/17/72/558841772.db2.gz SCAWBSZQOBMSAT-CQSZACIVSA-N 0 0 414.893 3.369 50 0 HGAARN O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc2c(c1)OCO2 ZINC000013574937 558844038 /nfs/dbraw/zinc/84/40/38/558844038.db2.gz HXZXIZJVQHZJNB-MLPAPPSSSA-N 0 0 419.174 3.364 50 0 HGAARN Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)CCc3ccccc3)CC2)nn1 ZINC000013663887 558851909 /nfs/dbraw/zinc/85/19/09/558851909.db2.gz YMUMVXQJRDSTTD-UHFFFAOYSA-N 0 0 422.554 3.147 50 0 HGAARN CC[C@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nnc2n1CCCCC2 ZINC000072318843 558852368 /nfs/dbraw/zinc/85/23/68/558852368.db2.gz WJNSBOFUHGTEGH-ZWKOTPCHSA-N 0 0 411.506 3.003 50 0 HGAARN COc1ccc(OC)c2c1cc(C(=O)N1CCc3cc(OC)c(OC)cc3C1)n2C ZINC000072324589 558861364 /nfs/dbraw/zinc/86/13/64/558861364.db2.gz PJLJTHCPVHHXCR-UHFFFAOYSA-N 0 0 410.470 3.411 50 0 biogenic HGAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000023010348 558862893 /nfs/dbraw/zinc/86/28/93/558862893.db2.gz QZWHMQGDHAOXJI-UHFFFAOYSA-N 0 0 422.312 3.445 50 0 HGAARN CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)c1 ZINC000023022369 558865112 /nfs/dbraw/zinc/86/51/12/558865112.db2.gz BLORCENLGFDOBY-INIZCTEOSA-N 0 0 400.500 3.205 50 0 HGAARN CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)c1 ZINC000023022372 558865154 /nfs/dbraw/zinc/86/51/54/558865154.db2.gz BLORCENLGFDOBY-MRXNPFEDSA-N 0 0 400.500 3.205 50 0 HGAARN CCN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1I ZINC000072329991 558865229 /nfs/dbraw/zinc/86/52/29/558865229.db2.gz YFULVFQNLCMDES-UHFFFAOYSA-N 0 0 423.250 3.497 50 0 HGAARN CCc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4OC)CC3)n2)cc1 ZINC000054274323 558867124 /nfs/dbraw/zinc/86/71/24/558867124.db2.gz CMAHUSDXEDGOOK-UHFFFAOYSA-N 0 0 419.533 3.091 50 0 HGAARN CCN1CCN(C(=O)c2c(=O)n(CC)nc(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000054278107 558867239 /nfs/dbraw/zinc/86/72/39/558867239.db2.gz SGGTURAVZKJXKL-UHFFFAOYSA-N 0 0 416.525 3.375 50 0 HGAARN CC(=O)Nc1ccc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078675 558868140 /nfs/dbraw/zinc/86/81/40/558868140.db2.gz MEDPFSCUBUFMES-UHFFFAOYSA-N 0 0 417.893 3.198 50 0 HGAARN CCN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1 ZINC000054982094 558869834 /nfs/dbraw/zinc/86/98/34/558869834.db2.gz AVKYYNBEIMEXIH-UHFFFAOYSA-N 0 0 403.408 3.193 50 0 HGAARN CCCCn1c(CN(C)Cc2ccc3nsnc3c2)cnc1S(=O)(=O)CC ZINC000055054551 558870858 /nfs/dbraw/zinc/87/08/58/558870858.db2.gz GXERUAPQMMCQON-UHFFFAOYSA-N 0 0 407.565 3.114 50 0 HGAARN COc1ccc(OC)c(NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000055087859 558871799 /nfs/dbraw/zinc/87/17/99/558871799.db2.gz QJZXPBKVIPZLJN-UHFFFAOYSA-N 0 0 403.910 3.426 50 0 HGAARN COC(=O)[C@@H]1CCCCN1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000055119276 558873245 /nfs/dbraw/zinc/87/32/45/558873245.db2.gz INUMWWNDHQJQNA-INIZCTEOSA-N 0 0 418.563 3.330 50 0 HGAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCS(=O)(=O)CC2)c1 ZINC000071957829 558874027 /nfs/dbraw/zinc/87/40/27/558874027.db2.gz HZTUSPWPTXSSDA-UHFFFAOYSA-N 0 0 409.511 3.155 50 0 HGAARN CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1C ZINC000055211498 558876007 /nfs/dbraw/zinc/87/60/07/558876007.db2.gz IMBWWVUIUFZGOG-OAQYLSRUSA-N 0 0 408.546 3.261 50 0 HGAARN Cc1cc(C)cc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000033122554 558879156 /nfs/dbraw/zinc/87/91/56/558879156.db2.gz RFLMAQSLZJEEPE-UHFFFAOYSA-N 0 0 405.495 3.417 50 0 HGAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000019371862 558879263 /nfs/dbraw/zinc/87/92/63/558879263.db2.gz MQZVLJRSTPUSNR-UHFFFAOYSA-N 0 0 420.513 3.019 50 0 HGAARN CCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)CC1 ZINC000055327512 558879432 /nfs/dbraw/zinc/87/94/32/558879432.db2.gz JMOFYMLNIQDBMS-UHFFFAOYSA-N 0 0 420.492 3.124 50 0 HGAARN CCc1ccc(CNC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000033125458 558883489 /nfs/dbraw/zinc/88/34/89/558883489.db2.gz QQYZCQCXSGPNEV-GOSISDBHSA-N 0 0 405.498 3.495 50 0 HGAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2c(F)cccc2Cl)cc1 ZINC000004674757 558886586 /nfs/dbraw/zinc/88/65/86/558886586.db2.gz BGICWCUSCCNGKN-UHFFFAOYSA-N 0 0 410.898 3.257 50 0 HGAARN CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000013854445 558887098 /nfs/dbraw/zinc/88/70/98/558887098.db2.gz OEBNLPXXAGJMBP-UHFFFAOYSA-N 0 0 421.419 3.460 50 0 HGAARN O=S(=O)(C[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc21)c1ccccc1 ZINC000096366993 558890495 /nfs/dbraw/zinc/89/04/95/558890495.db2.gz YNFQGMWPFJLALT-GOSISDBHSA-N 0 0 415.536 3.467 50 0 HGAARN CSc1cccc(NC(=O)N2CCN(CCn3c(C)nc4cccnc43)CC2)c1 ZINC000033139715 558891335 /nfs/dbraw/zinc/89/13/35/558891335.db2.gz ZGLFEEKYBXKNDS-UHFFFAOYSA-N 0 0 410.547 3.311 50 0 HGAARN O=C(COc1cccc2ccccc21)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011156260 558894161 /nfs/dbraw/zinc/89/41/61/558894161.db2.gz IQBNVPQSGJIISW-UHFFFAOYSA-N 0 0 424.522 3.188 50 0 HGAARN Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1 ZINC000004682393 558894544 /nfs/dbraw/zinc/89/45/44/558894544.db2.gz GBVIIXBOJFEMRW-UHFFFAOYSA-N 0 0 415.906 3.129 50 0 HGAARN CCOCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000004682178 558894894 /nfs/dbraw/zinc/89/48/94/558894894.db2.gz NBJQAQBTNXCWMT-UHFFFAOYSA-N 0 0 424.950 3.387 50 0 HGAARN Cc1nnc2nc(SCC(=O)N3CCCC3)n(-c3ccc(C)c(Cl)c3)c(N)c1-2 ZINC000004686210 558895378 /nfs/dbraw/zinc/89/53/78/558895378.db2.gz QULQKUODYYMKCD-UHFFFAOYSA-N 0 0 416.938 3.213 50 0 HGAARN COc1ccc(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000058023687 558896279 /nfs/dbraw/zinc/89/62/79/558896279.db2.gz HCZNNPGOFDOCFY-SFHVURJKSA-N 0 0 423.556 3.003 50 0 HGAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N(C)C)cn1 ZINC000058050335 558896915 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COCCn1cc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cn1 ZINC000058160162 558904900 /nfs/dbraw/zinc/90/49/00/558904900.db2.gz WLIBLGVWPCVICX-OAHLLOKOSA-N 0 0 414.441 3.130 50 0 HGAARN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccccn3)n2)cc1OC ZINC000058161271 558905487 /nfs/dbraw/zinc/90/54/87/558905487.db2.gz LUYIAVUKCNJZDD-GFCCVEGCSA-N 0 0 413.455 3.406 50 0 HGAARN Cc1ccc(CN(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000004699003 558906983 /nfs/dbraw/zinc/90/69/83/558906983.db2.gz ABYYEZMJVQSPMF-UHFFFAOYSA-N 0 0 418.559 3.117 50 0 HGAARN O=C(COc1ccc(F)cc1Br)Nc1ccn(Cc2ccccn2)n1 ZINC000058173417 558908584 /nfs/dbraw/zinc/90/85/84/558908584.db2.gz XMQNAICJIZPXHT-UHFFFAOYSA-N 0 0 405.227 3.246 50 0 HGAARN COc1ccc([C@@H]2CCCN2CN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1 ZINC000058173688 558908739 /nfs/dbraw/zinc/90/87/39/558908739.db2.gz JEIWHUQEVQSMLO-TUAABQIMSA-N 0 0 401.507 3.299 50 0 HGAARN COC(=O)CCOc1ccc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)cc1 ZINC000058183968 558910482 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biogenic HGAARN COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CC2 ZINC000604418715 568492987 /nfs/dbraw/zinc/49/29/87/568492987.db2.gz ORPKBXPYFZZAAB-SFHVURJKSA-N 0 0 420.465 3.388 50 0 HGAARN CN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000604419177 568493120 /nfs/dbraw/zinc/49/31/20/568493120.db2.gz ASTGOQBWXHYWFJ-QHCPKHFHSA-N 0 0 411.461 3.460 50 0 HGAARN O=C(COc1ccc(Cl)c2cccnc12)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000008395519 568499435 /nfs/dbraw/zinc/49/94/35/568499435.db2.gz ZVPOHKYMJLSBGZ-UHFFFAOYSA-N 0 0 413.817 3.387 50 0 HGAARN Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000022784066 568499662 /nfs/dbraw/zinc/49/96/62/568499662.db2.gz SPABTXVXMBLNDW-FQEVSTJZSA-N 0 0 414.594 3.039 50 0 HGAARN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000000827715 568499856 /nfs/dbraw/zinc/49/98/56/568499856.db2.gz SXZYBHGEFNEPME-UHFFFAOYSA-N 0 0 403.287 3.407 50 0 HGAARN COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000012361618 568509612 /nfs/dbraw/zinc/50/96/12/568509612.db2.gz GOKSMDQTCQMRBS-NRFANRHFSA-N 0 0 416.474 3.438 50 0 HGAARN COC(=O)C1=C(C)N=c2sc(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1cccs1 ZINC000000833620 568511799 /nfs/dbraw/zinc/51/17/99/568511799.db2.gz DOXFZFMZOSOEDP-QVEXBMTMSA-N 0 0 422.531 3.135 50 0 HGAARN CC(=O)Oc1c(C)cc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1C ZINC000033162067 568512104 /nfs/dbraw/zinc/51/21/04/568512104.db2.gz REOHRFFRZOQGCY-WQRHYEAKSA-N 0 0 405.479 3.216 50 0 HGAARN O=c1/c(=C/c2ccc(F)cc2)sc2nc(-c3ccc(Br)cc3)nn12 ZINC000033161997 568512116 /nfs/dbraw/zinc/51/21/16/568512116.db2.gz ZAGZSAPVVSRYMZ-ZROIWOOFSA-N 0 0 402.248 3.267 50 0 HGAARN CCCNC(=O)C1CCN(c2nc3ccsc3c(=O)n2-c2ccc(C)cc2)CC1 ZINC000033302285 568513283 /nfs/dbraw/zinc/51/32/83/568513283.db2.gz RCOUDMUDMMZFMH-UHFFFAOYSA-N 0 0 410.543 3.498 50 0 HGAARN COc1cccc(NC(=O)Cn2nc(N3CCCCCC3)c3ccccc3c2=O)c1 ZINC000033301688 568513340 /nfs/dbraw/zinc/51/33/40/568513340.db2.gz RNCBDWAFDGRCNT-UHFFFAOYSA-N 0 0 406.486 3.424 50 0 HGAARN CCc1ccccc1NC(=O)Cn1c(=O)nc2c3c4c(sc3ncn21)C[C@H](C)CC4 ZINC000033289401 568513621 /nfs/dbraw/zinc/51/36/21/568513621.db2.gz YRSQBWONVHQZTJ-CYBMUJFWSA-N 0 0 421.526 3.432 50 0 HGAARN CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCc1ccc(F)cc1F ZINC000033308922 568514184 /nfs/dbraw/zinc/51/41/84/568514184.db2.gz YKSONIHLXLKDFO-UHFFFAOYSA-N 0 0 420.485 3.289 50 0 HGAARN COc1ccccc1CN(C)S(=O)(=O)c1cc(Br)ccc1OC ZINC000025653093 568529722 /nfs/dbraw/zinc/52/97/22/568529722.db2.gz NVMUZFYFHHKLAJ-UHFFFAOYSA-N 0 0 400.294 3.287 50 0 HGAARN Cn1cc(CC(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)c2ccccc21 ZINC000390830468 568592096 /nfs/dbraw/zinc/59/20/96/568592096.db2.gz LGUGOWMWIVCGQW-OAQYLSRUSA-N 0 0 414.502 3.248 50 0 HGAARN CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)cc1 ZINC000390831423 568592260 /nfs/dbraw/zinc/59/22/60/568592260.db2.gz RTSYDWFDBZQQIQ-KRWDZBQOSA-N 0 0 419.524 3.194 50 0 HGAARN O=C(NCCCNc1nc(Cl)ncc1I)c1cccs1 ZINC000094988216 568593244 /nfs/dbraw/zinc/59/32/44/568593244.db2.gz VUYDPVDMRVZSHH-UHFFFAOYSA-N 0 0 422.679 3.028 50 0 HGAARN COc1ccccc1Nc1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1 ZINC000020212490 568594339 /nfs/dbraw/zinc/59/43/39/568594339.db2.gz UGQCLHKHKRZIMM-UHFFFAOYSA-N 0 0 420.513 3.439 50 0 HGAARN CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020214299 568594656 /nfs/dbraw/zinc/59/46/56/568594656.db2.gz GSILNYXZJSGBEB-IBGZPJMESA-N 0 0 401.413 3.272 50 0 HGAARN COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1ccc(Cl)cn1)C(F)(F)F ZINC000020274727 568596613 /nfs/dbraw/zinc/59/66/13/568596613.db2.gz UXDLQIWTYNWEAL-MRXNPFEDSA-N 0 0 417.771 3.017 50 0 HGAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(c3c[nH]c4ccccc43)CC1)C2=O ZINC000095348579 568600240 /nfs/dbraw/zinc/60/02/40/568600240.db2.gz GSRQKPJMYGICAF-GYCJOSAFSA-N 0 0 422.529 3.375 50 0 HGAARN O=C1c2ccccc2C(=O)N1Cc1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000080346324 568602921 /nfs/dbraw/zinc/60/29/21/568602921.db2.gz CIKAGVIHNGZCIT-UHFFFAOYSA-N 0 0 419.510 3.450 50 0 HGAARN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1cnc2c1ncnc2N1CCCC1 ZINC000095398732 568604618 /nfs/dbraw/zinc/60/46/18/568604618.db2.gz HHHNEQHBECAFDC-GOSISDBHSA-N 0 0 409.534 3.472 50 0 HGAARN COc1cc(NC(=O)CN2CCC[C@H]2CC(=O)c2ccccc2)cc(OC)c1OC ZINC000095412437 568606750 /nfs/dbraw/zinc/60/67/50/568606750.db2.gz BOQZJULYUFTSFZ-SFHVURJKSA-N 0 0 412.486 3.388 50 0 HGAARN Cc1cnc(N2CCC(c3ccnn3C)CC2)nc1N1CCC(c2ccnn2C)CC1 ZINC000095409759 568606777 /nfs/dbraw/zinc/60/67/77/568606777.db2.gz CTPXJPVTCJQDFU-UHFFFAOYSA-N 0 0 420.565 3.020 50 0 HGAARN CCS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000020443597 568608053 /nfs/dbraw/zinc/60/80/53/568608053.db2.gz HNYUPJNYDBJRRB-UHFFFAOYSA-N 0 0 401.462 3.169 50 0 HGAARN O=C(C[C@H]1CCS(=O)(=O)C1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000095431303 568609110 /nfs/dbraw/zinc/60/91/10/568609110.db2.gz XSPCCGMKUQQEIL-OAHLLOKOSA-N 0 0 409.552 3.218 50 0 HGAARN CCN(C[C@@H](CC(C)C)NC(=O)Cc1cccc(O)c1)C(=O)Cc1cccc(O)c1 ZINC000095436796 568609732 /nfs/dbraw/zinc/60/97/32/568609732.db2.gz XVJZELDYPQFZMV-HXUWFJFHSA-N 0 0 412.530 3.262 50 0 HGAARN COc1ccc2oc(=O)cc(CN3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1 ZINC000020463631 568609930 /nfs/dbraw/zinc/60/99/30/568609930.db2.gz OAJMOGGGRWBZJP-UHFFFAOYSA-N 0 0 412.873 3.413 50 0 HGAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccncc2Br)cc1 ZINC000095441777 568610787 /nfs/dbraw/zinc/61/07/87/568610787.db2.gz UJIKWSZKSPKNIG-NSHDSACASA-N 0 0 412.309 3.173 50 0 HGAARN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1nc(-c2cccnc2)cs1 ZINC000095442633 568611029 /nfs/dbraw/zinc/61/10/29/568611029.db2.gz LFOVEVSZUCPOQO-INIZCTEOSA-N 0 0 407.499 3.375 50 0 HGAARN COC(=O)C1(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)CCSCC1 ZINC000095444087 568611154 /nfs/dbraw/zinc/61/11/54/568611154.db2.gz GJDIQSBERJMBHM-UHFFFAOYSA-N 0 0 404.488 3.039 50 0 HGAARN O=C1c2ccccc2C(=O)N1[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000095449557 568613656 /nfs/dbraw/zinc/61/36/56/568613656.db2.gz SMNGPYQOYFQNBT-INIZCTEOSA-N 0 0 416.355 3.019 50 0 HGAARN CC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000095449600 568613872 /nfs/dbraw/zinc/61/38/72/568613872.db2.gz QDRKFZFYSVUOEP-HNNXBMFYSA-N 0 0 404.496 3.044 50 0 HGAARN O=C(NCCc1ccc[nH]1)c1ccccc1SCc1nnnn1-c1ccccc1 ZINC000095451376 568614723 /nfs/dbraw/zinc/61/47/23/568614723.db2.gz CDWUGYKMGNOOJH-UHFFFAOYSA-N 0 0 404.499 3.255 50 0 HGAARN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000095454366 568616069 /nfs/dbraw/zinc/61/60/69/568616069.db2.gz NXDCJAJZNYQLRW-ZDUSSCGKSA-N 0 0 416.334 3.232 50 0 HGAARN CC(C)(C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl)c1cccnc1 ZINC000095454629 568616323 /nfs/dbraw/zinc/61/63/23/568616323.db2.gz GVGDRKPELJWOPZ-UHFFFAOYSA-N 0 0 412.877 3.439 50 0 HGAARN CN1CCN(c2ccc(C(=O)OCC3CCN(CC(F)(F)F)CC3)cc2F)CC1 ZINC000095456268 568617747 /nfs/dbraw/zinc/61/77/47/568617747.db2.gz XGQOQGDWLDVJDG-UHFFFAOYSA-N 0 0 417.447 3.009 50 0 HGAARN O=C(c1ccc(Br)cc1F)N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000095458863 568619235 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Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)nn1-c1ccccc1 ZINC000095465521 568623426 /nfs/dbraw/zinc/62/34/26/568623426.db2.gz PYXJARCGROUECL-GOSISDBHSA-N 0 0 418.497 3.278 50 0 HGAARN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ncc(Cl)n1C ZINC000095466188 568624128 /nfs/dbraw/zinc/62/41/28/568624128.db2.gz SAAOPFDMZBOMPV-CQSZACIVSA-N 0 0 401.854 3.069 50 0 HGAARN O=C(c1cc(=O)[nH]c(Cl)c1)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 ZINC000095469308 568625622 /nfs/dbraw/zinc/62/56/22/568625622.db2.gz VLPUJWPKZNVKJP-UHFFFAOYSA-N 0 0 404.831 3.182 50 0 HGAARN COc1ccc(CCc2nc(NC(=O)Cc3cc(F)c(F)cc3F)n[nH]2)cc1OC ZINC000095472978 568628411 /nfs/dbraw/zinc/62/84/11/568628411.db2.gz XKUCWPGSKUWIBU-UHFFFAOYSA-N 0 0 420.391 3.206 50 0 HGAARN COCCn1cc(CC(=O)Nc2ccc(-c3nnc(COC)[nH]3)cc2)c2ccccc21 ZINC000095473371 568628905 /nfs/dbraw/zinc/62/89/05/568628905.db2.gz RMPVSASXAJOBGK-UHFFFAOYSA-N 0 0 419.485 3.400 50 0 HGAARN O=C(NCc1ccccc1)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000095476094 568630181 /nfs/dbraw/zinc/63/01/81/568630181.db2.gz ULUMNMRSIPCAKJ-UHFFFAOYSA-N 0 0 415.497 3.366 50 0 HGAARN COC(=O)C[C@H](c1cnn(C)c1)c1oc(CSc2ccccc2F)cc(=O)c1O ZINC000095475999 568630202 /nfs/dbraw/zinc/63/02/02/568630202.db2.gz UHJSLJWJDDALKH-CQSZACIVSA-N 0 0 418.446 3.205 50 0 HGAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000095478234 568631408 /nfs/dbraw/zinc/63/14/08/568631408.db2.gz VLVRSACZIZQSSN-UHFFFAOYSA-N 0 0 412.852 3.338 50 0 HGAARN COC(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(N(C)C)c1 ZINC000225404426 568634441 /nfs/dbraw/zinc/63/44/41/568634441.db2.gz QTIPSWRRWZSQJX-IBGZPJMESA-N 0 0 401.438 3.284 50 0 HGAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 ZINC000020604309 568636159 /nfs/dbraw/zinc/63/61/59/568636159.db2.gz WTGNBZAZQYTXAL-UHFFFAOYSA-N 0 0 423.473 3.203 50 0 HGAARN COC(=O)c1cccc(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)n1 ZINC000225444298 568638453 /nfs/dbraw/zinc/63/84/53/568638453.db2.gz LWAIJRQLRCGLFW-UHFFFAOYSA-N 0 0 411.458 3.049 50 0 HGAARN O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000028818059 568639293 /nfs/dbraw/zinc/63/92/93/568639293.db2.gz NFXMMTLPENXMDY-UHFFFAOYSA-N 0 0 412.423 3.174 50 0 HGAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(OC)cc2)c1 ZINC000020762225 568642801 /nfs/dbraw/zinc/64/28/01/568642801.db2.gz BEVBPEXBIOTIFH-FQEVSTJZSA-N 0 0 406.442 3.385 50 0 biogenic HGAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000020766317 568643347 /nfs/dbraw/zinc/64/33/47/568643347.db2.gz VMRLMPWQHRHMLD-UHFFFAOYSA-N 0 0 413.312 3.095 50 0 HGAARN Cc1c2ccccc2sc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000007964333 568650768 /nfs/dbraw/zinc/65/07/68/568650768.db2.gz MXPJVNNYCHCPGM-UHFFFAOYSA-N 0 0 418.515 3.496 50 0 HGAARN CCN(CC)C(=O)CSc1cn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000020922974 568651096 /nfs/dbraw/zinc/65/10/96/568651096.db2.gz XMKAHHSAOWAKJU-IRXDYDNUSA-N 0 0 417.575 3.238 50 0 HGAARN Cc1cc(CSc2ncccc2C(=O)NCC2CCN(c3ncccn3)CC2)no1 ZINC000225579499 568653798 /nfs/dbraw/zinc/65/37/98/568653798.db2.gz QPMICJARCKLFQN-UHFFFAOYSA-N 0 0 424.530 3.107 50 0 HGAARN CSc1cccc(N2C(=O)N(Cc3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000020979460 568654241 /nfs/dbraw/zinc/65/42/41/568654241.db2.gz ZCGQOBDDLASTEK-MSOLQXFVSA-N 0 0 406.504 3.155 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980381 568654440 /nfs/dbraw/zinc/65/44/40/568654440.db2.gz CPULOJZSCZOFFV-UHFFFAOYSA-N 0 0 404.401 3.461 50 0 HGAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(c2nc3c(cccc3F)o2)CC1 ZINC000225591999 568655463 /nfs/dbraw/zinc/65/54/63/568655463.db2.gz ZBZBHPZJCABRHN-UHFFFAOYSA-N 0 0 401.872 3.193 50 0 HGAARN CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1NCC(=O)Nc1ccc(C)cc1 ZINC000020992551 568655998 /nfs/dbraw/zinc/65/59/98/568655998.db2.gz ZYAUAEAKCXVARB-UHFFFAOYSA-N 0 0 403.891 3.350 50 0 HGAARN Cc1ccccc1CN1CCCN(CC(=O)Nc2ccccc2Cl)S1(=O)=O ZINC000020996717 568657240 /nfs/dbraw/zinc/65/72/40/568657240.db2.gz XLBDAXROPJACCS-UHFFFAOYSA-N 0 0 407.923 3.040 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1 ZINC000021010037 568657721 /nfs/dbraw/zinc/65/77/21/568657721.db2.gz SDTULQNJMOTTFB-UHFFFAOYSA-N 0 0 413.499 3.302 50 0 HGAARN CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1 ZINC000021019232 568658190 /nfs/dbraw/zinc/65/81/90/568658190.db2.gz MKFVQGLJZYOCCW-UHFFFAOYSA-N 0 0 400.500 3.113 50 0 HGAARN COc1cccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(F)cc2)C3=O)c1 ZINC000021049550 568660719 /nfs/dbraw/zinc/66/07/19/568660719.db2.gz KSNSOUDKKYHAMX-UHFFFAOYSA-N 0 0 422.460 3.007 50 0 HGAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)Cc4ccccn4)CC3)n2)cc1F ZINC000095941271 568661941 /nfs/dbraw/zinc/66/19/41/568661941.db2.gz WZDSAYHPLPDJOC-MRXNPFEDSA-N 0 0 409.465 3.027 50 0 HGAARN Cn1c(C(=O)NCc2ccccc2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000021097356 568665123 /nfs/dbraw/zinc/66/51/23/568665123.db2.gz ONPSUSSYJPGEHQ-UHFFFAOYSA-N 0 0 411.527 3.283 50 0 HGAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc2ccc(Br)cc2s1 ZINC000095948007 568665269 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CCc1nc2ccccc2n1CC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000095957793 568669529 /nfs/dbraw/zinc/66/95/29/568669529.db2.gz BHXHWPLYXLMJMW-UHFFFAOYSA-N 0 0 422.554 3.355 50 0 HGAARN Cc1c(C(=O)N2CCO[C@H](C(C)(C)C)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000225737843 568669665 /nfs/dbraw/zinc/66/96/65/568669665.db2.gz MCSLTYGHUDODDU-AWEZNQCLSA-N 0 0 403.548 3.380 50 0 HGAARN C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(=O)Nc1ccc(Cl)cc1 ZINC000095963942 568670327 /nfs/dbraw/zinc/67/03/27/568670327.db2.gz MVHVYHAXWHCERT-GFCCVEGCSA-N 0 0 401.850 3.302 50 0 HGAARN Cc1ccc(C2=NNC(=O)[C@@H]3CCCC[C@@H]23)cc1S(=O)(=O)N1CCCCCC1 ZINC000021151964 568672515 /nfs/dbraw/zinc/67/25/15/568672515.db2.gz DDJDEKJVWZWHHB-QZTJIDSGSA-N 0 0 403.548 3.200 50 0 HGAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)N3CCCCC3)CC2)c1C ZINC000021153886 568673059 /nfs/dbraw/zinc/67/30/59/568673059.db2.gz MXSYXYKXAZAEKA-UHFFFAOYSA-N 0 0 403.523 3.063 50 0 HGAARN O=C(C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1)N1CCOCC1 ZINC000021158762 568674116 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HGAARN CCNC(=O)CN1CCCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CC1 ZINC000096012308 568684901 /nfs/dbraw/zinc/68/49/01/568684901.db2.gz HXCWHQDBSOTOCR-UHFFFAOYSA-N 0 0 421.950 3.368 50 0 HGAARN O=C(CCNC(=O)c1ccc(F)cc1F)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000096013947 568685443 /nfs/dbraw/zinc/68/54/43/568685443.db2.gz PAANAIMLHGSJTM-QFBILLFUSA-N 0 0 406.404 3.260 50 0 HGAARN COc1ccc(Br)c(C(=O)N2CC(c3nc(-c4ccco4)no3)C2)c1 ZINC000096024258 568686021 /nfs/dbraw/zinc/68/60/21/568686021.db2.gz FEAMLLRGCBBHQP-UHFFFAOYSA-N 0 0 404.220 3.340 50 0 HGAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C ZINC000021308732 568687258 /nfs/dbraw/zinc/68/72/58/568687258.db2.gz ILRSAONFNUKKSN-QGZVFWFLSA-N 0 0 402.516 3.494 50 0 HGAARN CCCC(=O)Nc1nnc(SCc2nnc(-c3ccc4c(c3)OCO4)o2)s1 ZINC000021359356 568689945 /nfs/dbraw/zinc/68/99/45/568689945.db2.gz YCSDNSVYJHEJAN-UHFFFAOYSA-N 0 0 405.461 3.348 50 0 HGAARN COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 ZINC000012389388 568691414 /nfs/dbraw/zinc/69/14/14/568691414.db2.gz GXACDBMSFABSRL-IBGZPJMESA-N 0 0 405.498 3.388 50 0 HGAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103475 568691701 /nfs/dbraw/zinc/69/17/01/568691701.db2.gz CKPRGUWFUCYSIQ-QGZVFWFLSA-N 0 0 415.902 3.419 50 0 HGAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2ccc(-c3cccs3)n2)cc1 ZINC000096103854 568692104 /nfs/dbraw/zinc/69/21/04/568692104.db2.gz MDXLSYXJNZVNKV-UHFFFAOYSA-N 0 0 417.556 3.153 50 0 HGAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cc(C)cc(C)c4)CC3)C2=O)cc1 ZINC000096105355 568692557 /nfs/dbraw/zinc/69/25/57/568692557.db2.gz IQAHWGKHAUKVIL-UHFFFAOYSA-N 0 0 405.498 3.339 50 0 HGAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000096105385 568692803 /nfs/dbraw/zinc/69/28/03/568692803.db2.gz YRBVYKFQDVBJQH-UHFFFAOYSA-N 0 0 421.497 3.039 50 0 HGAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1F ZINC000096105396 568692914 /nfs/dbraw/zinc/69/29/14/568692914.db2.gz GVOOICUERGFKMD-UHFFFAOYSA-N 0 0 413.424 3.000 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/nfs/dbraw/zinc/70/29/69/568702969.db2.gz MNWBOYRPURVRRQ-UHFFFAOYSA-N 0 0 400.519 3.283 50 0 HGAARN COc1ccc(C(N)=O)c(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000021473818 568703384 /nfs/dbraw/zinc/70/33/84/568703384.db2.gz OYINGUFPYJSDGJ-UHFFFAOYSA-N 0 0 409.769 3.234 50 0 HGAARN COC(=O)C[C@@H](c1ccc(OCc2nccn2C)cc1)c1c2[nH]snc-2ccc1=O ZINC000096232220 568708021 /nfs/dbraw/zinc/70/80/21/568708021.db2.gz WOPUPWDRZUJBIM-HNNXBMFYSA-N 0 0 424.482 3.404 50 0 HGAARN COc1ccc(-c2noc(CCC(=O)Nc3nnc(C(C)C)s3)n2)cc1OC ZINC000021524806 568709289 /nfs/dbraw/zinc/70/92/89/568709289.db2.gz GNVRLDNAGHUTPB-UHFFFAOYSA-N 0 0 403.464 3.300 50 0 HGAARN Cc1ccc(NC(=O)CN2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)c(C)c1 ZINC000021531377 568710984 /nfs/dbraw/zinc/71/09/84/568710984.db2.gz PXIJCRFQKNIHLR-UHFFFAOYSA-N 0 0 421.950 3.348 50 0 HGAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3nc(C)nc4onc(C)c43)C2)cc1 ZINC000021533220 568711638 /nfs/dbraw/zinc/71/16/38/568711638.db2.gz DSLJFMWJSOUKAM-MRXNPFEDSA-N 0 0 411.531 3.489 50 0 HGAARN Cc1cc(F)ccc1NC(=O)c1cnc2sc(N3CCC[C@@H](C)C3)nn2c1=O ZINC000021537670 568712780 /nfs/dbraw/zinc/71/27/80/568712780.db2.gz JZSBEHUPDTYMGG-LLVKDONJSA-N 0 0 401.467 3.087 50 0 HGAARN COc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)c1OC ZINC000012416024 568718065 /nfs/dbraw/zinc/71/80/65/568718065.db2.gz QOLMQORDLAOBMB-GFCCVEGCSA-N 0 0 409.398 3.003 50 0 HGAARN COc1cccc(-n2c3ncn(Cc4cccc(F)c4)c3c(=O)n(CC(C)C)c2=O)c1 ZINC000096280814 568718187 /nfs/dbraw/zinc/71/81/87/568718187.db2.gz ZDHFLEAHUCXONI-UHFFFAOYSA-N 0 0 422.460 3.201 50 0 HGAARN CCn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2cccc(OC)c2)c1=O ZINC000096280813 568718211 /nfs/dbraw/zinc/71/82/11/568718211.db2.gz OUBDECYDCKVMPB-UHFFFAOYSA-N 0 0 410.861 3.079 50 0 HGAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2N)c(OC)c1 ZINC000021576194 568719244 /nfs/dbraw/zinc/71/92/44/568719244.db2.gz ROYREUBZZIPTFF-UHFFFAOYSA-N 0 0 419.894 3.060 50 0 HGAARN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000012438038 568723117 /nfs/dbraw/zinc/72/31/17/568723117.db2.gz VNXZQQDHECMJME-SYYKKAFVSA-N 0 0 415.511 3.209 50 0 HGAARN COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)Oc2ccc3c(c2)CCC3)c1 ZINC000096311213 568724689 /nfs/dbraw/zinc/72/46/89/568724689.db2.gz SUXHAJFWNQHQQS-YFHOEESVSA-N 0 0 418.467 3.146 50 0 HGAARN O=C(CSCc1ccccc1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 ZINC000012443224 568724804 /nfs/dbraw/zinc/72/48/04/568724804.db2.gz RCTNKXWMFFJOSJ-UHFFFAOYSA-N 0 0 419.510 3.220 50 0 HGAARN Cc1cccc(C)c1NC(=O)CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000021633864 568725197 /nfs/dbraw/zinc/72/51/97/568725197.db2.gz GKXYFCBQAHOWIM-UHFFFAOYSA-N 0 0 421.950 3.348 50 0 HGAARN CC(C)Cn1c2nn(CC(=O)c3ccccc3Cl)c(=O)n2c2ccsc2c1=O ZINC000096321831 568729307 /nfs/dbraw/zinc/72/93/07/568729307.db2.gz HBPANQYRLANGAA-UHFFFAOYSA-N 0 0 416.890 3.065 50 0 HGAARN CCOc1ccc([C@H]2[C@@H](C(=O)OC(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)cc1 ZINC000239415445 568729426 /nfs/dbraw/zinc/72/94/26/568729426.db2.gz UMLFZCYFMXRADE-UGTOYMOASA-N 0 0 420.502 3.028 50 0 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568683832 /nfs/dbraw/zinc/68/38/32/568683832.db2.gz UEOIIOYKZDKASL-YQVWRLOYSA-N 0 0 423.538 3.053 50 0 HGAARN CCCn1nc(C(=O)NC[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)ccc1=O ZINC000096011871 568684201 /nfs/dbraw/zinc/68/42/01/568684201.db2.gz IURNFWVJLZFDSG-HXUWFJFHSA-N 0 0 416.481 3.243 50 0 HGAARN O=C(CCCCc1c[nH]nn1)NCc1cc(Br)ccc1OC(F)F ZINC000096012373 568684863 /nfs/dbraw/zinc/68/48/63/568684863.db2.gz WDVMRARWUVBWMC-UHFFFAOYSA-N 0 0 403.227 3.198 50 0 HGAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1ccc(-n2cccc2)cc1 ZINC000096096609 568689060 /nfs/dbraw/zinc/68/90/60/568689060.db2.gz KCFAAOYQJACOAB-UHFFFAOYSA-N 0 0 419.510 3.329 50 0 HGAARN COc1ccc(CNC(=O)CS[C@H]2CCc3ccccc3NC2=O)cc1OC ZINC000012389333 568691120 /nfs/dbraw/zinc/69/11/20/568691120.db2.gz DYLRRCOPPIQWSQ-IBGZPJMESA-N 0 0 400.500 3.007 50 0 HGAARN CSc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000096103225 568691635 /nfs/dbraw/zinc/69/16/35/568691635.db2.gz LPHMSENBTQYQHX-NSHDSACASA-N 0 0 408.364 3.244 50 0 HGAARN COC(=O)N1CCc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2C1 ZINC000096103687 568691955 /nfs/dbraw/zinc/69/19/55/568691955.db2.gz FMKMSSQYMITKHM-UHFFFAOYSA-N 0 0 424.425 3.060 50 0 HGAARN O=C(Cn1ccc2ccccc21)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096104131 568692221 /nfs/dbraw/zinc/69/22/21/568692221.db2.gz RZEHZMDZPRTKOK-UHFFFAOYSA-N 0 0 400.475 3.245 50 0 HGAARN O=C(N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1)C1(c2ccccc2)CCOCC1 ZINC000096104421 568692370 /nfs/dbraw/zinc/69/23/70/568692370.db2.gz TZHJPBVCWLNKDR-UHFFFAOYSA-N 0 0 419.930 3.073 50 0 HGAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000096105363 568692824 /nfs/dbraw/zinc/69/28/24/568692824.db2.gz ZGANOSQUWYGFBM-UHFFFAOYSA-N 0 0 411.889 3.375 50 0 HGAARN O=C(c1ccc(F)c(Cl)c1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000096105412 568692860 /nfs/dbraw/zinc/69/28/60/568692860.db2.gz UAVQKLDFMPBRFB-UHFFFAOYSA-N 0 0 415.852 3.206 50 0 HGAARN O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000096105606 568693107 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CCOc1ccc(-c2nnc(SCc3cc(=O)n4nc(CC)sc4n3)o2)cc1 ZINC000021524848 568709251 /nfs/dbraw/zinc/70/92/51/568709251.db2.gz MJDWTFOLZPRFMM-UHFFFAOYSA-N 0 0 415.500 3.454 50 0 HGAARN CC[C@@H](C(=O)N(C)C)n1nc(Br)c(Br)c1Br ZINC000059949729 568709582 /nfs/dbraw/zinc/70/95/82/568709582.db2.gz JWVGZLYQCDACMN-YFKPBYRVSA-N 0 0 417.927 3.210 50 0 HGAARN COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@]1(NC(=O)C1CCCCC1)C(F)(F)F ZINC000012402654 568710130 /nfs/dbraw/zinc/71/01/30/568710130.db2.gz RULMPIUGBZYMQE-IBGZPJMESA-N 0 0 416.440 3.216 50 0 HGAARN COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000021537180 568712297 /nfs/dbraw/zinc/71/22/97/568712297.db2.gz HZLRGHFYHLIAEJ-UHFFFAOYSA-N 0 0 421.482 3.132 50 0 HGAARN COc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000021537272 568712529 /nfs/dbraw/zinc/71/25/29/568712529.db2.gz WBTVXLBQAKTHKY-UHFFFAOYSA-N 0 0 421.482 3.132 50 0 HGAARN COc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2cccc(C)c2)n1 ZINC000021537270 568712551 /nfs/dbraw/zinc/71/25/51/568712551.db2.gz KEJMJTHSCNKZFU-UHFFFAOYSA-N 0 0 421.482 3.132 50 0 HGAARN Cc1cc(C)cc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 ZINC000000857898 568713400 /nfs/dbraw/zinc/71/34/00/568713400.db2.gz NPORCOCPFBHRBQ-UHFFFAOYSA-N 0 0 411.321 3.471 50 0 HGAARN COC(=O)c1cc(-c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)s2)on1 ZINC000021540596 568713773 /nfs/dbraw/zinc/71/37/73/568713773.db2.gz CGHCXOXYGMVFEK-UHFFFAOYSA-N 0 0 412.876 3.322 50 0 HGAARN Cc1c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)sc2[nH]c(C)nc(=O)c12 ZINC000229355398 568713917 /nfs/dbraw/zinc/71/39/17/568713917.db2.gz PIIVBFTXKBFOLH-IQOUGMIPSA-N 0 0 405.520 3.088 50 0 HGAARN CCCN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)COCc1ccccc1 ZINC000096276125 568715039 /nfs/dbraw/zinc/71/50/39/568715039.db2.gz JUDNRRCFADAVKT-UHFFFAOYSA-N 0 0 423.469 3.463 50 0 HGAARN CC(C)CN(C[C@@H]1CN(C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000096280498 568718002 /nfs/dbraw/zinc/71/80/02/568718002.db2.gz GXWZEKSJKUWJKV-RPWUZVMVSA-N 0 0 410.558 3.089 50 0 HGAARN O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1cccc2nonc21 ZINC000096299981 568723208 /nfs/dbraw/zinc/72/32/08/568723208.db2.gz QNDBWBFZGRCPAW-UHFFFAOYSA-N 0 0 420.300 3.286 50 0 HGAARN O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)Nc1ccc(F)c(Cl)c1 ZINC000012440054 568723402 /nfs/dbraw/zinc/72/34/02/568723402.db2.gz OIXYNBZDPYTYQF-UHFFFAOYSA-N 0 0 406.826 3.057 50 0 HGAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 ZINC000021624456 568723891 /nfs/dbraw/zinc/72/38/91/568723891.db2.gz BPUDQVZWHXZZHW-JOCHJYFZSA-N 0 0 419.481 3.308 50 0 HGAARN CCOc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccno3)sc2c1 ZINC000012443826 568725067 /nfs/dbraw/zinc/72/50/67/568725067.db2.gz KSNVIZDSVNFBOU-UHFFFAOYSA-N 0 0 416.503 3.052 50 0 HGAARN COc1ccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000096316873 568726061 /nfs/dbraw/zinc/72/60/61/568726061.db2.gz ALADWIDJHNBBJW-UHFFFAOYSA-N 0 0 406.530 3.320 50 0 HGAARN COCc1nc(C2CC2)nc(N2CCN(C(C)=O)CC2)c1Cc1cccc(Cl)c1 ZINC000096317160 568726400 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O=C(COc1ccccc1I)N1CCC(c2ccccc2)=N1 ZINC000031656770 568928844 /nfs/dbraw/zinc/92/88/44/568928844.db2.gz FCANDGGSTRYSMN-UHFFFAOYSA-N 0 0 406.223 3.307 50 0 HGAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc2c(c1)CCC2 ZINC000031754497 568930465 /nfs/dbraw/zinc/93/04/65/568930465.db2.gz ANKFPRIDQMDIAI-UHFFFAOYSA-N 0 0 402.541 3.330 50 0 HGAARN CCOC(=O)N1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1 ZINC000003958784 568930468 /nfs/dbraw/zinc/93/04/68/568930468.db2.gz PYOMUPAJOCDLDW-UHFFFAOYSA-N 0 0 416.478 3.425 50 0 HGAARN CCCCOc1ccccc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000004029459 568934405 /nfs/dbraw/zinc/93/44/05/568934405.db2.gz BJOWVTJTTOMHCO-ZMIKWESLSA-N 0 0 421.490 3.201 50 0 biogenic HGAARN C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(F)cc1 ZINC000012748789 568935025 /nfs/dbraw/zinc/93/50/25/568935025.db2.gz VLSLJXKCSXGJIE-MPBGBICISA-N 0 0 400.431 3.325 50 0 HGAARN Cc1cc(NC(=O)c2sc3cccc(F)c3c2C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000084102016 568937817 /nfs/dbraw/zinc/93/78/17/568937817.db2.gz IXYJBHSBJXLURO-GFCCVEGCSA-N 0 0 407.492 3.466 50 0 HGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC3=CCCCC3)CS[C@H]21 ZINC000004081617 568938985 /nfs/dbraw/zinc/93/89/85/568938985.db2.gz ZSFCFTZOZYWBAZ-YCRPNKLZSA-N 0 0 402.516 3.280 50 0 biogenic HGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccccc3)C(C)(C)S[C@@H]21 ZINC000004081967 568939219 /nfs/dbraw/zinc/93/92/19/568939219.db2.gz HPJWTSVODTZURB-NQIIRXRSSA-N 0 0 412.511 3.369 50 0 biogenic HGAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000012753688 568941933 /nfs/dbraw/zinc/94/19/33/568941933.db2.gz QNXQNTZUALRNMK-CMJOXMDJSA-N 0 0 423.517 3.237 50 0 HGAARN Cc1ccc(NC(=O)CN2CCN(C(=O)CCC(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000012754145 568942150 /nfs/dbraw/zinc/94/21/50/568942150.db2.gz MIISFARCFVJCRZ-UHFFFAOYSA-N 0 0 421.541 3.358 50 0 HGAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000004107320 568943359 /nfs/dbraw/zinc/94/33/59/568943359.db2.gz HGDJOQHOGBFBLT-UHFFFAOYSA-N 0 0 404.448 3.003 50 0 HGAARN COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000012758167 568943445 /nfs/dbraw/zinc/94/34/45/568943445.db2.gz KCOGLQJXPNJODF-UHFFFAOYSA-N 0 0 402.516 3.441 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000012759115 568943591 /nfs/dbraw/zinc/94/35/91/568943591.db2.gz FAJVWKWEKHBCOF-UHFFFAOYSA-N 0 0 411.483 3.105 50 0 HGAARN CCOc1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012758863 568943701 /nfs/dbraw/zinc/94/37/01/568943701.db2.gz VZEQUFXGONMVLM-UHFFFAOYSA-N 0 0 402.516 3.190 50 0 HGAARN COc1ccc(-c2noc(CN3CCN(C(=O)C4(c5ccccc5)CC4)CC3)n2)cc1 ZINC000012759741 568944015 /nfs/dbraw/zinc/94/40/15/568944015.db2.gz OKDFJBINLSHVOZ-UHFFFAOYSA-N 0 0 418.497 3.121 50 0 HGAARN COc1ccc(N(C(=O)c2ccc(Br)o2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000004111949 568944219 /nfs/dbraw/zinc/94/42/19/568944219.db2.gz QQOZATBRZSHTAB-LBPRGKRZSA-N 0 0 412.261 3.008 50 0 HGAARN O=C(NCCC1=CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012756874 568944258 /nfs/dbraw/zinc/94/42/58/568944258.db2.gz UCTLNQATYDHVCP-UHFFFAOYSA-N 0 0 411.955 3.246 50 0 HGAARN CN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000084240573 568944859 /nfs/dbraw/zinc/94/48/59/568944859.db2.gz LGWUPBNTZCZTEK-OAHLLOKOSA-N 0 0 416.444 3.378 50 0 HGAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCc4sccc4[C@H]3c3cccs3)cc2[nH]1 ZINC000012761713 568945938 /nfs/dbraw/zinc/94/59/38/568945938.db2.gz NJVCQQXAOAVMRG-KRWDZBQOSA-N 0 0 417.537 3.316 50 0 HGAARN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)n1Cc1ccco1 ZINC000012762958 568946689 /nfs/dbraw/zinc/94/66/89/568946689.db2.gz IMBCYEIOISPJKA-UHFFFAOYSA-N 0 0 401.488 3.249 50 0 HGAARN O=C(NCc1cccc(Cl)c1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000084367778 568947492 /nfs/dbraw/zinc/94/74/92/568947492.db2.gz VBPCUARSTJADDL-RTBURBONSA-N 0 0 409.873 3.230 50 0 HGAARN COc1ccc(CCNC(=O)CN2c3ccccc3S[C@@H](C)CC2=O)cc1OC ZINC000004162757 568947512 /nfs/dbraw/zinc/94/75/12/568947512.db2.gz OEFDZEMADFTVIV-HNNXBMFYSA-N 0 0 414.527 3.280 50 0 HGAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCNC(=O)C(C)(C)C)cc1 ZINC000012765258 568948100 /nfs/dbraw/zinc/94/81/00/568948100.db2.gz PVRUPPZPKGYLOD-HOTGVXAUSA-N 0 0 423.579 3.129 50 0 HGAARN O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000084387875 568948544 /nfs/dbraw/zinc/94/85/44/568948544.db2.gz TTWWXHVKYVUWPN-JOCHJYFZSA-N 0 0 414.546 3.499 50 0 HGAARN COc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004182957 568949531 /nfs/dbraw/zinc/94/95/31/568949531.db2.gz VQANRAUHNNEKMP-IBGZPJMESA-N 0 0 417.527 3.312 50 0 HGAARN CC(C)CCC[C@@H](C)NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000012768922 568950229 /nfs/dbraw/zinc/95/02/29/568950229.db2.gz FWWBFJAKGRDKLC-CYBMUJFWSA-N 0 0 416.349 3.170 50 0 HGAARN CCOc1ccc(N2C[C@@H](C(=O)NCCCc3nc4ccccc4[nH]3)CC2=O)cc1 ZINC000012770991 568951907 /nfs/dbraw/zinc/95/19/07/568951907.db2.gz HTOKIAKIZPBMNN-INIZCTEOSA-N 0 0 406.486 3.064 50 0 HGAARN CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1 ZINC000004224352 568952560 /nfs/dbraw/zinc/95/25/60/568952560.db2.gz IQNIULGDPIKWCG-UHFFFAOYSA-N 0 0 411.483 3.340 50 0 HGAARN CC(C)Oc1ccc(S(=O)(=O)N[C@](C)(C(N)=O)c2ccccc2)c2ccccc12 ZINC000084621964 568953340 /nfs/dbraw/zinc/95/33/40/568953340.db2.gz LQEOWLWQJBYTBJ-QFIPXVFZSA-N 0 0 412.511 3.306 50 0 HGAARN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000084621811 568953359 /nfs/dbraw/zinc/95/33/59/568953359.db2.gz ONOMAMABXUBCMP-LRDDRELGSA-N 0 0 415.317 3.302 50 0 HGAARN Cc1ccccc1C(=O)N1CCC(C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000012774432 568953566 /nfs/dbraw/zinc/95/35/66/568953566.db2.gz KUTRFIPQOKJDOY-UHFFFAOYSA-N 0 0 411.477 3.083 50 0 HGAARN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1 ZINC000004248697 568953796 /nfs/dbraw/zinc/95/37/96/568953796.db2.gz KYTKSRJRAWGMJQ-UHFFFAOYSA-N 0 0 413.455 3.349 50 0 HGAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)Nc1ccc(Cl)cn1 ZINC000012775091 568953937 /nfs/dbraw/zinc/95/39/37/568953937.db2.gz FQWHTGZUHAAFQC-UHFFFAOYSA-N 0 0 416.787 3.143 50 0 HGAARN Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccccc3C)n(C)c2=O)c1 ZINC000004249415 568954278 /nfs/dbraw/zinc/95/42/78/568954278.db2.gz QHJAMBVATSOGMO-UHFFFAOYSA-N 0 0 415.497 3.104 50 0 HGAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012776077 568954633 /nfs/dbraw/zinc/95/46/33/568954633.db2.gz DYCODMWIYZGNJQ-UHFFFAOYSA-N 0 0 406.461 3.226 50 0 HGAARN CC[C@H](C)[C@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000229709885 568954667 /nfs/dbraw/zinc/95/46/67/568954667.db2.gz DQVCUIMSLAVQPE-HARLFGEKSA-N 0 0 410.558 3.483 50 0 HGAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000012776279 568954739 /nfs/dbraw/zinc/95/47/39/568954739.db2.gz RCHAMYZXTLAEKC-UHFFFAOYSA-N 0 0 424.469 3.393 50 0 HGAARN CCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000004250688 568954825 /nfs/dbraw/zinc/95/48/25/568954825.db2.gz DAABJMZUCDJWNL-UHFFFAOYSA-N 0 0 415.453 3.259 50 0 HGAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)NC1=NCCS1 ZINC000012776297 568954804 /nfs/dbraw/zinc/95/48/04/568954804.db2.gz RIITVFCLXCEAPR-UHFFFAOYSA-N 0 0 423.498 3.283 50 0 HGAARN C[C@]1(c2cccc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2)NC(=O)NC1=O ZINC000084668187 568955406 /nfs/dbraw/zinc/95/54/06/568955406.db2.gz NPSUSFMSLVJMBE-JOCHJYFZSA-N 0 0 422.872 3.074 50 0 HGAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)c1cnc(N2CCCCC2)s1 ZINC000084678453 568955538 /nfs/dbraw/zinc/95/55/38/568955538.db2.gz ZFMLVBMABOIBSD-UGSOOPFHSA-N 0 0 402.472 3.088 50 0 HGAARN O=C(Nc1nc2c(cccc2F)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000004264234 568956049 /nfs/dbraw/zinc/95/60/49/568956049.db2.gz XFOCYGWATKTIGA-UHFFFAOYSA-N 0 0 405.476 3.472 50 0 HGAARN COc1ccc(-n2nnc3c2ncn(Cc2ccc(Cl)cc2Cl)c3=O)cc1 ZINC000004266893 568956201 /nfs/dbraw/zinc/95/62/01/568956201.db2.gz UVKPCFVPKUQSNL-UHFFFAOYSA-N 0 0 402.241 3.341 50 0 HGAARN NC(=O)NC(=O)[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 ZINC000012778911 568956287 /nfs/dbraw/zinc/95/62/87/568956287.db2.gz PXMXBSJAVPDNBK-MRXNPFEDSA-N 0 0 413.528 3.294 50 0 HGAARN C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3ccc4ccccc4n3)cc2)C[C@H](C)O1 ZINC000084705955 568956535 /nfs/dbraw/zinc/95/65/35/568956535.db2.gz AHTHVNMVOZZMLY-IRXDYDNUSA-N 0 0 403.482 3.414 50 0 HGAARN C[C@@H](NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)c1ccccc1 ZINC000004272089 568957139 /nfs/dbraw/zinc/95/71/39/568957139.db2.gz KGVHQSCQFRFHOR-QGZVFWFLSA-N 0 0 403.482 3.324 50 0 HGAARN O=C(Nc1nnc(SCc2ccccn2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000004271781 568957197 /nfs/dbraw/zinc/95/71/97/568957197.db2.gz YRENSKJNKPLNPY-ZDUSSCGKSA-N 0 0 411.512 3.217 50 0 HGAARN Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1C ZINC000004272597 568957507 /nfs/dbraw/zinc/95/75/07/568957507.db2.gz JDGBDXMLRPAKHR-SFHVURJKSA-N 0 0 410.493 3.080 50 0 HGAARN CCOC(=O)c1c(N)n(CCOC(=O)c2cccs2)c2nc3ccccc3nc21 ZINC000004302008 568960146 /nfs/dbraw/zinc/96/01/46/568960146.db2.gz KGRLDYGGTKVEPY-UHFFFAOYSA-N 0 0 410.455 3.262 50 0 HGAARN COc1ccc(NC(=O)NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000012786445 568960208 /nfs/dbraw/zinc/96/02/08/568960208.db2.gz JZTSODDVHGUAGB-QGZVFWFLSA-N 0 0 403.504 3.086 50 0 HGAARN O=C(Cn1c(=O)oc2ccccc21)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 ZINC000219209245 568960658 /nfs/dbraw/zinc/96/06/58/568960658.db2.gz IUEJUTYAGUWBQG-LJQANCHMSA-N 0 0 412.467 3.030 50 0 HGAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)C1=O ZINC000004306660 568960689 /nfs/dbraw/zinc/96/06/89/568960689.db2.gz IYVAOUNMMXYYRK-YJYMSZOUSA-N 0 0 411.424 3.033 50 0 HGAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1 ZINC000015669369 568960973 /nfs/dbraw/zinc/96/09/73/568960973.db2.gz HLTCZTLUURRRRW-UHFFFAOYSA-N 0 0 423.538 3.411 50 0 HGAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1C ZINC000004312947 568961357 /nfs/dbraw/zinc/96/13/57/568961357.db2.gz OMLYKVAXWAKXKB-IRXDYDNUSA-N 0 0 407.557 3.348 50 0 HGAARN Nc1c(C(=O)NC[C@H]2CCCO2)sc2nc(N3CCCC3)c3c(c12)CCCC3 ZINC000015670976 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420.557 3.319 50 0 HGAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCOCC3)[C@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000036345593 569143176 /nfs/dbraw/zinc/14/31/76/569143176.db2.gz QQKHXTSQBYJHHX-NRFANRHFSA-N 0 0 421.497 3.042 50 0 HGAARN CC(C)CC(=O)N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036347087 569144102 /nfs/dbraw/zinc/14/41/02/569144102.db2.gz ZMYKIQHSRXOOGH-HXUWFJFHSA-N 0 0 419.591 3.144 50 0 HGAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC(C)(C)C)Oc3cc(C)ccc32)cc1 ZINC000064985944 569144824 /nfs/dbraw/zinc/14/48/24/569144824.db2.gz DWVUDQDGPWTXRS-LJQANCHMSA-N 0 0 402.516 3.174 50 0 HGAARN COc1ccc(NC(=O)c2nnc(CNC(=O)c3c(F)cccc3F)s2)cc1 ZINC000064991129 569146777 /nfs/dbraw/zinc/14/67/77/569146777.db2.gz ILPKCGVCMZIRBA-UHFFFAOYSA-N 0 0 404.398 3.007 50 0 HGAARN COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3cccs3)ccc2n1C ZINC000036354467 569148029 /nfs/dbraw/zinc/14/80/29/569148029.db2.gz SMBQZSJIXUZPCS-UHFFFAOYSA-N 0 0 409.471 3.000 50 0 HGAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccco1)Cc1ccco1 ZINC000036356958 569148585 /nfs/dbraw/zinc/14/85/85/569148585.db2.gz LUGOXULGNCPIPL-UHFFFAOYSA-N 0 0 413.451 3.215 50 0 HGAARN COc1ccc(-c2nnc3sc(-c4n[nH]cc4Br)nn32)cc1OC ZINC000036358795 569150275 /nfs/dbraw/zinc/15/02/75/569150275.db2.gz NHCFJWLZPZVODV-UHFFFAOYSA-N 0 0 407.253 3.023 50 0 HGAARN Cc1nc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2s1 ZINC000006839708 569151199 /nfs/dbraw/zinc/15/11/99/569151199.db2.gz IQGZJZSMCOSHOZ-ZDUSSCGKSA-N 0 0 409.467 3.368 50 0 HGAARN COCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)s1 ZINC000036360109 569151338 /nfs/dbraw/zinc/15/13/38/569151338.db2.gz HIYOPYUBLHYXPV-ZWKOTPCHSA-N 0 0 408.483 3.234 50 0 HGAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000036365102 569152243 /nfs/dbraw/zinc/15/22/43/569152243.db2.gz MCLFUJKFOLLISH-MRXNPFEDSA-N 0 0 413.503 3.299 50 0 HGAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)N2CCOCC2)CC1 ZINC000065006682 569152979 /nfs/dbraw/zinc/15/29/79/569152979.db2.gz BZLKZVFGPXZVEL-UHFFFAOYSA-N 0 0 413.543 3.220 50 0 HGAARN Cc1ccc(F)cc1S(=O)(=O)NCCC1CCN(C(=O)c2ccccc2)CC1 ZINC000065007514 569153090 /nfs/dbraw/zinc/15/30/90/569153090.db2.gz UWKQBCVGORVQLL-UHFFFAOYSA-N 0 0 404.507 3.355 50 0 HGAARN CC(C)NC(=O)c1ccc2c(c1)nc(CN(C)C(=O)NCc1ccc(F)cc1)n2C ZINC000065008609 569153205 /nfs/dbraw/zinc/15/32/05/569153205.db2.gz RSNKSUOVMIQESW-UHFFFAOYSA-N 0 0 411.481 3.192 50 0 HGAARN CCCCC(=O)Nc1ccc2c(c1)nc(-c1c(OC)c(C(=O)N(C)C)cn1C)n2C ZINC000036369879 569153789 /nfs/dbraw/zinc/15/37/89/569153789.db2.gz DUARPXWTWZCJSG-UHFFFAOYSA-N 0 0 411.506 3.418 50 0 biogenic HGAARN COc1ccccc1CNC(=O)COc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000065024677 569155452 /nfs/dbraw/zinc/15/54/52/569155452.db2.gz IMFLPSXUBQAAIH-UHFFFAOYSA-N 0 0 408.389 3.128 50 0 HGAARN CC(=O)N1CCc2cc(-c3ccc(C(=O)N[C@H](C)C(=O)N4CCCCC4)cc3)ccc21 ZINC000065027021 569155922 /nfs/dbraw/zinc/15/59/22/569155922.db2.gz FJVHGOFFGQCRQJ-QGZVFWFLSA-N 0 0 419.525 3.393 50 0 HGAARN COc1ccccc1CNC(=O)c1nc2c3ccccc3oc2c(N2CCOCC2)n1 ZINC000065024979 569156065 /nfs/dbraw/zinc/15/60/65/569156065.db2.gz NKDBQXYIMMDJMD-UHFFFAOYSA-N 0 0 418.453 3.151 50 0 HGAARN O=C(CSc1ccc(N2CCN(c3ccccc3)CC2)nn1)NCc1ccccc1 ZINC000065025866 569156493 /nfs/dbraw/zinc/15/64/93/569156493.db2.gz GJRVAZKMGWAISR-UHFFFAOYSA-N 0 0 419.554 3.212 50 0 HGAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000006858566 569156525 /nfs/dbraw/zinc/15/65/25/569156525.db2.gz KGXDWKFPJBIOAW-ZDUSSCGKSA-N 0 0 400.456 3.276 50 0 HGAARN Cc1ccc(Cn2nnc3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc32)cc1 ZINC000065030483 569157133 /nfs/dbraw/zinc/15/71/33/569157133.db2.gz JCDUFPMLGHGQFW-UHFFFAOYSA-N 0 0 400.438 3.447 50 0 HGAARN COC(=O)c1cc(OCC(=O)Nc2cc(OC)cc(OC)c2)c2cc(C)ccc2n1 ZINC000065033121 569157759 /nfs/dbraw/zinc/15/77/59/569157759.db2.gz GRXMUJSJMSCKHT-UHFFFAOYSA-N 0 0 410.426 3.365 50 0 HGAARN CCN(CC)c1ccc(NC(=O)CCc2nnc3ccc(N4CCCC4)nn32)c(C)c1 ZINC000006867940 569159164 /nfs/dbraw/zinc/15/91/64/569159164.db2.gz XSKPUMPRCRNYQG-UHFFFAOYSA-N 0 0 421.549 3.450 50 0 HGAARN CCn1c2nnc(CCCC(=O)N[C@H]3CCCC[C@H]3C)n2c2ccsc2c1=O ZINC000006868410 569159294 /nfs/dbraw/zinc/15/92/94/569159294.db2.gz LQKUCWLYZZPFNR-KGLIPLIRSA-N 0 0 401.536 3.143 50 0 HGAARN CCn1c2nnc(CCCC(=O)N[C@@H]3CCCC[C@@H]3C)n2c2ccsc2c1=O ZINC000006868404 569159369 /nfs/dbraw/zinc/15/93/69/569159369.db2.gz LQKUCWLYZZPFNR-UONOGXRCSA-N 0 0 401.536 3.143 50 0 HGAARN COc1ccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1OC ZINC000169753319 569160591 /nfs/dbraw/zinc/16/05/91/569160591.db2.gz PLPLFDQTNNJXAF-SFHVURJKSA-N 0 0 406.486 3.493 50 0 HGAARN COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccc(OC)cc4OC)C3)n[nH]2)cc1 ZINC000169753988 569160859 /nfs/dbraw/zinc/16/08/59/569160859.db2.gz ZQWSHOFQCUSSHS-INIZCTEOSA-N 0 0 422.485 3.111 50 0 HGAARN Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3)C3=C2C(=O)OC3)cc1 ZINC000169757935 569161346 /nfs/dbraw/zinc/16/13/46/569161346.db2.gz YNIMPPWGDCXMQN-IBGZPJMESA-N 0 0 411.845 3.164 50 0 HGAARN Cc1noc2nc(CCC(=O)NCc3cccnc3)nc(N3C[C@H](C)C[C@@H](C)C3)c12 ZINC000065056626 569162846 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Cc1ccc(NC(=O)NCCn2nnc3cc(C(=O)N4CCCC4)ccc32)c(C)c1 ZINC000065075482 569169512 /nfs/dbraw/zinc/16/95/12/569169512.db2.gz MZUBQICPKLNERE-UHFFFAOYSA-N 0 0 406.490 3.106 50 0 HGAARN CCN(CC)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc(C)cc1C ZINC000065075591 569169632 /nfs/dbraw/zinc/16/96/32/569169632.db2.gz AMWDBFMTCBAAOH-UHFFFAOYSA-N 0 0 408.506 3.352 50 0 HGAARN CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)C1=O ZINC000036396863 569169731 /nfs/dbraw/zinc/16/97/31/569169731.db2.gz HRLXBAFYCOIWSS-UHFFFAOYSA-N 0 0 424.501 3.218 50 0 HGAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccccc1 ZINC000006886855 569170407 /nfs/dbraw/zinc/17/04/07/569170407.db2.gz ZTGJMHGXEFVZGA-UHFFFAOYSA-N 0 0 402.516 3.441 50 0 HGAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)Nc1ccccc1F ZINC000065077076 569170512 /nfs/dbraw/zinc/17/05/12/569170512.db2.gz ANQMROOGJPNJRY-UHFFFAOYSA-N 0 0 408.476 3.063 50 0 HGAARN CCOc1ccccc1C1=N/C(=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O1 ZINC000006887083 569170534 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/nfs/dbraw/zinc/20/34/61/569203461.db2.gz ZHWBVKCQUMUPII-UHFFFAOYSA-N 0 0 417.575 3.446 50 0 HGAARN COc1ccc(NC(=O)c2cn(-c3cc(N4CCCC[C@@H]4C)ncn3)cn2)cc1OC ZINC000065239902 569203687 /nfs/dbraw/zinc/20/36/87/569203687.db2.gz NBJLXEXYOIVCCR-HNNXBMFYSA-N 0 0 422.489 3.311 50 0 HGAARN COc1ccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)ncn3)cn2)cc1OC ZINC000065239861 569203690 /nfs/dbraw/zinc/20/36/90/569203690.db2.gz NQQYYZDVEJCWBU-UHFFFAOYSA-N 0 0 422.489 3.168 50 0 HGAARN O=C(Cn1c(=O)c2cc(-c3ccco3)nn2c2ncccc21)Nc1ccc(F)c(F)c1 ZINC000065240271 569203809 /nfs/dbraw/zinc/20/38/09/569203809.db2.gz IFHBCUCICLBIEV-UHFFFAOYSA-N 0 0 421.363 3.221 50 0 HGAARN COc1ccc(CCNC(=O)CC[C@H]2NC(=O)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000036589987 569204292 /nfs/dbraw/zinc/20/42/92/569204292.db2.gz ZODZSWWMELADRT-OXQOHEQNSA-N 0 0 409.486 3.020 50 0 HGAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F ZINC000036601552 569205360 /nfs/dbraw/zinc/20/53/60/569205360.db2.gz PYFMREOTJIPHOB-KDOFPFPSSA-N 0 0 424.423 3.072 50 0 HGAARN COc1ccccc1CNC(=O)c1nc(-c2ccnc(N3CCC(C)CC3)c2)no1 ZINC000065245999 569205410 /nfs/dbraw/zinc/20/54/10/569205410.db2.gz SDJHOFILMQTAIV-UHFFFAOYSA-N 0 0 407.474 3.307 50 0 HGAARN Cc1ccc2c(c1)N(C(=O)Cn1cnc(-c3noc(-c4cccs4)n3)c1)CCO2 ZINC000065250214 569206127 /nfs/dbraw/zinc/20/61/27/569206127.db2.gz RHFCQTRLVGYNIL-UHFFFAOYSA-N 0 0 407.455 3.396 50 0 HGAARN Cc1ccccc1CNC(=O)c1cn(-c2cc(-c3nc(C4CC4)no3)ccn2)cn1 ZINC000065250970 569206448 /nfs/dbraw/zinc/20/64/48/569206448.db2.gz MCJNMAYTOZGOGN-UHFFFAOYSA-N 0 0 400.442 3.433 50 0 HGAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4Cl)c3)c2)n1 ZINC000065250914 569206456 /nfs/dbraw/zinc/20/64/56/569206456.db2.gz ISUOUUSBHYVDIX-UHFFFAOYSA-N 0 0 408.849 3.463 50 0 HGAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccc(Cl)c4)c3)c2)n1 ZINC000065250915 569206457 /nfs/dbraw/zinc/20/64/57/569206457.db2.gz XLVBONDBHKXTML-UHFFFAOYSA-N 0 0 408.849 3.463 50 0 HGAARN CCn1nc(C)c(-c2cc(C(=O)Nc3ccn(C(C)C)n3)c3cnn(C)c3n2)c1C ZINC000036616153 569207259 /nfs/dbraw/zinc/20/72/59/569207259.db2.gz JUIJFPBLBWSERW-UHFFFAOYSA-N 0 0 406.494 3.498 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)c1nn(CCN2CCOCC2)c2ccccc21 ZINC000065254963 569207500 /nfs/dbraw/zinc/20/75/00/569207500.db2.gz IBBAVIHMSCBUAK-UHFFFAOYSA-N 0 0 414.893 3.283 50 0 HGAARN COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3cccn3)c3c(C)nn(C)c3n2)cc1 ZINC000036613445 569209288 /nfs/dbraw/zinc/20/92/88/569209288.db2.gz NBNWFRQACYCTHA-OAHLLOKOSA-N 0 0 418.501 3.215 50 0 HGAARN CCc1noc(-c2cccnc2N2CCCN(C(=O)NCc3ccc(C)cc3)CC2)n1 ZINC000065258095 569210043 /nfs/dbraw/zinc/21/00/43/569210043.db2.gz FCOOKCVWKQQGJX-UHFFFAOYSA-N 0 0 420.517 3.424 50 0 HGAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)COC(=O)COc1cc(C)ccc1Cl ZINC000013160497 569211682 /nfs/dbraw/zinc/21/16/82/569211682.db2.gz ZMDISTSWUBNBHM-UHFFFAOYSA-N 0 0 419.861 3.348 50 0 HGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCn1ccc2ccccc21 ZINC000524729802 569211865 /nfs/dbraw/zinc/21/18/65/569211865.db2.gz JRKBDUNIJWWTHE-XZOYJPPVSA-N 0 0 403.482 3.258 50 0 biogenic HGAARN Cc1c2c(nn1C)n(CCC(=O)Nc1cccnc1Cl)c(=O)cc2C(F)(F)F ZINC000036621508 569212130 /nfs/dbraw/zinc/21/21/30/569212130.db2.gz QWKVGSLVEHOHAI-UHFFFAOYSA-N 0 0 413.787 3.139 50 0 HGAARN Cc1c2c(nn1C)n(CCC(=O)Nc1ccc(F)c(F)c1)c(=O)cc2C(F)(F)F ZINC000036621497 569212138 /nfs/dbraw/zinc/21/21/38/569212138.db2.gz UVMGPRHRYNUXCD-UHFFFAOYSA-N 0 0 414.334 3.369 50 0 HGAARN COc1ccccc1CNC(=O)[C@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000065266116 569213060 /nfs/dbraw/zinc/21/30/60/569213060.db2.gz YZBVRPVCQHKUNK-HXUWFJFHSA-N 0 0 407.514 3.429 50 0 biogenic HGAARN COc1ccc(CC(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)cc1 ZINC000065265944 569213134 /nfs/dbraw/zinc/21/31/34/569213134.db2.gz GVRNPWYPPACKLB-VWLOTQADSA-N 0 0 420.557 3.430 50 0 HGAARN O=C(c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12)N1CCCCC1 ZINC000065270968 569213575 /nfs/dbraw/zinc/21/35/75/569213575.db2.gz PFEASNJSDFOYLK-UHFFFAOYSA-N 0 0 404.445 3.463 50 0 HGAARN Cc1sc(-n2cnnn2)c(C(=O)NCCCCCc2nc3ccccc3n2C)c1C ZINC000524734664 569213645 /nfs/dbraw/zinc/21/36/45/569213645.db2.gz ACVAWAIZDIBBCZ-UHFFFAOYSA-N 0 0 423.546 3.370 50 0 HGAARN CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(F)cc2Br)c1 ZINC000007058647 569214637 /nfs/dbraw/zinc/21/46/37/569214637.db2.gz GOMCJMHWBRYKCZ-UHFFFAOYSA-N 0 0 402.241 3.058 50 0 HGAARN CCNc1cc(N2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)ncn1 ZINC000065274004 569214960 /nfs/dbraw/zinc/21/49/60/569214960.db2.gz NJIMWLZWFZAFEP-UHFFFAOYSA-N 0 0 411.506 3.315 50 0 HGAARN COc1cccc(CNC(=O)c2cn3ccnc(-c4ccc(F)cc4)c3n2)c1OC ZINC000065274498 569215050 /nfs/dbraw/zinc/21/50/50/569215050.db2.gz OTYYIYAXRRJZMI-UHFFFAOYSA-N 0 0 406.417 3.483 50 0 HGAARN O=C(c1cn2ccnc(-c3ccc(F)cc3)c2n1)N1CCN(c2ccccc2)CC1 ZINC000065274517 569215094 /nfs/dbraw/zinc/21/50/94/569215094.db2.gz ABGXTIVFEYVOEI-UHFFFAOYSA-N 0 0 401.445 3.498 50 0 HGAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NC2CCCCCC2)CC3)CC1 ZINC000065273484 569216126 /nfs/dbraw/zinc/21/61/26/569216126.db2.gz IJORHAMVXNYCIB-MRXNPFEDSA-N 0 0 418.607 3.146 50 0 HGAARN CCCn1c2ncccc2nc1[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000065285258 569216794 /nfs/dbraw/zinc/21/67/94/569216794.db2.gz POYUXZNEYKEIRD-HNNXBMFYSA-N 0 0 400.504 3.028 50 0 HGAARN O=C(Cc1csc(NC(=O)c2cnccn2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000036657938 569216935 /nfs/dbraw/zinc/21/69/35/569216935.db2.gz GKUZLRAXYCPOES-UHFFFAOYSA-N 0 0 423.376 3.265 50 0 HGAARN CC1CCN(c2ncc3c(n2)CC[C@H](C(=O)NCCCN(C)c2ccccc2)C3)CC1 ZINC000065289570 569217885 /nfs/dbraw/zinc/21/78/85/569217885.db2.gz YVOGNMXTDIOZBD-FQEVSTJZSA-N 0 0 421.589 3.461 50 0 HGAARN CCN(C(=O)c1cc2c(=O)n(CCOC)c3ccccc3n2n1)c1ccc(F)cc1 ZINC000065292496 569218267 /nfs/dbraw/zinc/21/82/67/569218267.db2.gz CTLVQMQWPUAQIX-UHFFFAOYSA-N 0 0 408.433 3.101 50 0 HGAARN CCOC(=O)CC1(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C)C2)CCCCC1 ZINC000065292915 569218433 /nfs/dbraw/zinc/21/84/33/569218433.db2.gz FSEFCXHZEOXPDF-MRXNPFEDSA-N 0 0 413.522 3.123 50 0 HGAARN Cc1ccccc1CN1CCCN(CC(=O)Nc2ccc(Cl)cc2)S1(=O)=O ZINC000065304967 569220349 /nfs/dbraw/zinc/22/03/49/569220349.db2.gz SSKYUDFIBCQPBW-UHFFFAOYSA-N 0 0 407.923 3.040 50 0 HGAARN CN(C)c1nc2cc(C(=O)N3CCC4(CC3)OCCO4)sc2n1-c1ccccc1 ZINC000065306710 569220644 /nfs/dbraw/zinc/22/06/44/569220644.db2.gz HOZJVJDLJHFATN-UHFFFAOYSA-N 0 0 412.515 3.132 50 0 biogenic HGAARN Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000065311023 569221311 /nfs/dbraw/zinc/22/13/11/569221311.db2.gz UVXRHIRAOHJJLC-UHFFFAOYSA-N 0 0 406.442 3.280 50 0 HGAARN C[C@H](NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1)c1ccccc1 ZINC000065311476 569221429 /nfs/dbraw/zinc/22/14/29/569221429.db2.gz GWNWNJGXOZJARR-IBGZPJMESA-N 0 0 416.525 3.385 50 0 HGAARN O=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCCC1 ZINC000065315243 569221659 /nfs/dbraw/zinc/22/16/59/569221659.db2.gz FTSIWZUTIBEVGQ-UHFFFAOYSA-N 0 0 411.543 3.248 50 0 HGAARN CC(C)CNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000065315404 569221718 /nfs/dbraw/zinc/22/17/18/569221718.db2.gz PJIAOKARIRNJRX-QGZVFWFLSA-N 0 0 415.538 3.234 50 0 HGAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)CC)C2)cc1 ZINC000065315383 569221761 /nfs/dbraw/zinc/22/17/61/569221761.db2.gz MMFFDBYWTQEJNT-HOTGVXAUSA-N 0 0 403.527 3.377 50 0 HGAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 ZINC000036705885 569221957 /nfs/dbraw/zinc/22/19/57/569221957.db2.gz WGXIKJINVMDICZ-ZDUSSCGKSA-N 0 0 406.364 3.126 50 0 HGAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312602 569222216 /nfs/dbraw/zinc/22/22/16/569222216.db2.gz GRDJTICTHVBBTK-HNNXBMFYSA-N 0 0 403.408 3.281 50 0 HGAARN O=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nnc3ccc(Cl)cn32)CC1 ZINC000065313057 569222335 /nfs/dbraw/zinc/22/23/35/569222335.db2.gz XGBHJAGVHZMSJH-UHFFFAOYSA-N 0 0 415.828 3.425 50 0 HGAARN Cc1cc(F)ccc1S(=O)(=O)NCCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000036700425 569222880 /nfs/dbraw/zinc/22/28/80/569222880.db2.gz KBGZMQLGIZXWMZ-HXUWFJFHSA-N 0 0 406.523 3.266 50 0 HGAARN O=C(NC1CCCCCC1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313996 569223099 /nfs/dbraw/zinc/22/30/99/569223099.db2.gz YUANMMNGWGSREK-HXUWFJFHSA-N 0 0 408.546 3.347 50 0 HGAARN Cc1ccccc1NC(=O)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313984 569223103 /nfs/dbraw/zinc/22/31/03/569223103.db2.gz SDWLGDCLZCETER-FQEVSTJZSA-N 0 0 402.498 3.455 50 0 HGAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000007125942 569223454 /nfs/dbraw/zinc/22/34/54/569223454.db2.gz YLZWHPJGPIGZFU-QHCPKHFHSA-N 0 0 422.485 3.003 50 0 HGAARN O=C(NCCC1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000065315169 569223508 /nfs/dbraw/zinc/22/35/08/569223508.db2.gz UMYOWRWMCXZHKT-UHFFFAOYSA-N 0 0 405.495 3.438 50 0 HGAARN Cn1c(=O)n(CCNC(=O)Nc2ccccc2C(F)(F)F)nc1-c1ccccc1 ZINC000036708532 569223603 /nfs/dbraw/zinc/22/36/03/569223603.db2.gz SREGKBRECXSUSZ-UHFFFAOYSA-N 0 0 405.380 3.089 50 0 HGAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCCc2cc(F)cc(F)c21 ZINC000036754184 569226723 /nfs/dbraw/zinc/22/67/23/569226723.db2.gz DNJAPWINGQCZPJ-UHFFFAOYSA-N 0 0 407.848 3.434 50 0 HGAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CC[C@@H](Oc2ncccc2Br)C1 ZINC000238867110 569226726 /nfs/dbraw/zinc/22/67/26/569226726.db2.gz MANAPEBSOYGYOF-GFCCVEGCSA-N 0 0 414.259 3.391 50 0 HGAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(NCc3ccco3)s2)s1 ZINC000007162001 569226892 /nfs/dbraw/zinc/22/68/92/569226892.db2.gz DBPNVCKMGPTPAY-UHFFFAOYSA-N 0 0 408.530 3.416 50 0 HGAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000036772814 569227732 /nfs/dbraw/zinc/22/77/32/569227732.db2.gz FAZXQSKNNQGTLD-FQEVSTJZSA-N 0 0 400.818 3.109 50 0 HGAARN CS(=O)(=O)Cc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000007188192 569227868 /nfs/dbraw/zinc/22/78/68/569227868.db2.gz MDHZCOONWFZSIE-UHFFFAOYSA-N 0 0 410.875 3.403 50 0 HGAARN COc1ccc(Br)c(C(=O)OCC(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000007203589 569228669 /nfs/dbraw/zinc/22/86/69/569228669.db2.gz DNKHBGJYQIMKCJ-UHFFFAOYSA-N 0 0 406.232 3.456 50 0 HGAARN CCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC ZINC000036802958 569228786 /nfs/dbraw/zinc/22/87/86/569228786.db2.gz KWRGERBLDXSYMI-CQSZACIVSA-N 0 0 412.581 3.295 50 0 HGAARN CC(=O)Nc1sc2c(c1C(=O)OCc1cc(=O)n3c(C)cccc3n1)CCCC2 ZINC000007214953 569229003 /nfs/dbraw/zinc/22/90/03/569229003.db2.gz PSJBRYUPBLABMV-UHFFFAOYSA-N 0 0 411.483 3.259 50 0 HGAARN Cc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)n1C1CC1 ZINC000007227533 569229593 /nfs/dbraw/zinc/22/95/93/569229593.db2.gz GBHHMJPZQFVHSI-AWEZNQCLSA-N 0 0 404.488 3.240 50 0 HGAARN Cn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1-c1ccccc1F ZINC000007235739 569230011 /nfs/dbraw/zinc/23/00/11/569230011.db2.gz SXUOMDCWMJFEPG-UHFFFAOYSA-N 0 0 410.434 3.402 50 0 HGAARN COc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)coc2c1 ZINC000007238844 569230231 /nfs/dbraw/zinc/23/02/31/569230231.db2.gz FDGGHVGUAWPBEC-UHFFFAOYSA-N 0 0 414.483 3.407 50 0 HGAARN CC(C)[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCO2 ZINC000007280958 569231885 /nfs/dbraw/zinc/23/18/85/569231885.db2.gz NPYUUHKJUHYLKW-HXUWFJFHSA-N 0 0 416.547 3.381 50 0 HGAARN CS(=O)(=O)c1nc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c2ccccn21 ZINC000065521390 569233529 /nfs/dbraw/zinc/23/35/29/569233529.db2.gz NJQLWDHZTODUSL-INIZCTEOSA-N 0 0 403.891 3.272 50 0 HGAARN Cc1ccc(Cl)c(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)c1Cl ZINC000007351741 569234848 /nfs/dbraw/zinc/23/48/48/569234848.db2.gz HSIQWXCMZHASDS-JTQLQIEISA-N 0 0 417.318 3.096 50 0 HGAARN C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000007357782 569235063 /nfs/dbraw/zinc/23/50/63/569235063.db2.gz NGDZDHYDPDPQPV-MRVPVSSYSA-N 0 0 404.473 3.098 50 0 HGAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)c(C)c2)cc1 ZINC000007361895 569235275 /nfs/dbraw/zinc/23/52/75/569235275.db2.gz XECQKWHEXNBZEU-UHFFFAOYSA-N 0 0 418.515 3.242 50 0 HGAARN COc1ccc(C(C)(C)C)cc1N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000007370613 569235757 /nfs/dbraw/zinc/23/57/57/569235757.db2.gz JKOBQXIADVIECN-CYBMUJFWSA-N 0 0 405.520 3.079 50 0 HGAARN C[C@H](Oc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1)c1ccccc1 ZINC000065587913 569236565 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3.287 50 0 HGAARN Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(Br)cc2)c2ccccc21 ZINC000002461675 569401695 /nfs/dbraw/zinc/40/16/95/569401695.db2.gz GJLVNACPMBYSHR-UHFFFAOYSA-N 0 0 407.289 3.353 50 0 HGAARN CCc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000012662006 569402735 /nfs/dbraw/zinc/40/27/35/569402735.db2.gz MJTLFNZEUJHLJK-KSFYIVLOSA-N 0 0 424.453 3.065 50 0 biogenic HGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(C)ccc1C ZINC000012662106 569402752 /nfs/dbraw/zinc/40/27/52/569402752.db2.gz HLGXCWYPDZVPGK-AOMKIAJQSA-N 0 0 424.453 3.119 50 0 biogenic HGAARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)cs2)cc1 ZINC000012764000 569403166 /nfs/dbraw/zinc/40/31/66/569403166.db2.gz XWFOVLYGDLZYCE-UHFFFAOYSA-N 0 0 417.512 3.239 50 0 HGAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cccnc2SC)cc1OCC ZINC000012815932 569403894 /nfs/dbraw/zinc/40/38/94/569403894.db2.gz KOUFJJRQZFHEIB-UHFFFAOYSA-N 0 0 403.504 3.312 50 0 HGAARN C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)NCC1CCCCC1 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/nfs/dbraw/zinc/42/52/94/569425294.db2.gz HSHYNNFSILBTMG-GJZGRUSLSA-N 0 0 413.360 3.250 50 0 HGAARN CCOc1c(Cl)cc(/C=C/C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1OC ZINC000019620175 569425543 /nfs/dbraw/zinc/42/55/43/569425543.db2.gz FOAIRMIGMGDLMS-SOFGYWHQSA-N 0 0 424.906 3.355 50 0 HGAARN Cc1nnc(CN(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)[nH]1 ZINC000079051934 569425679 /nfs/dbraw/zinc/42/56/79/569425679.db2.gz GRPUSWCTPUYLEM-CQSZACIVSA-N 0 0 400.533 3.046 50 0 HGAARN CC(C)C[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000079056658 569425952 /nfs/dbraw/zinc/42/59/52/569425952.db2.gz GZVYUSOGODPENO-OAHLLOKOSA-N 0 0 416.522 3.069 50 0 HGAARN CC(C)(C)OC(=O)CCC(C)(C)NC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000079059785 569426205 /nfs/dbraw/zinc/42/62/05/569426205.db2.gz OLMVBTLAMFGXQM-UHFFFAOYSA-N 0 0 414.506 3.314 50 0 HGAARN Cc1ccc(N2CC[C@H](C(=O)NCc3ccnn3CCc3ccccc3)C2=O)cc1C ZINC000079070483 569426727 /nfs/dbraw/zinc/42/67/27/569426727.db2.gz BJNRVKCFYZMNHR-HSZRJFAPSA-N 0 0 416.525 3.412 50 0 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569429204 /nfs/dbraw/zinc/42/92/04/569429204.db2.gz TZGXCSXIGQOZOY-FXAWDEMLSA-N 0 0 403.390 3.091 50 0 biogenic HGAARN CC(C)c1cc(C(=O)N2CCN(CCc3ccncc3)CC2)n(-c2ccccc2)n1 ZINC000079487015 569432250 /nfs/dbraw/zinc/43/22/50/569432250.db2.gz DLZIDBICMITQAY-UHFFFAOYSA-N 0 0 403.530 3.391 50 0 HGAARN COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccc1OC)CO3 ZINC000019882382 569433089 /nfs/dbraw/zinc/43/30/89/569433089.db2.gz KNALOZKLMHVHPQ-UHFFFAOYSA-N 0 0 409.438 3.178 50 0 biogenic HGAARN Cc1cn(Cc2ccccc2)c(=O)n(Cc2ncc(C(F)(F)F)cc2Cl)c1=O ZINC000263639890 571043583 /nfs/dbraw/zinc/04/35/83/571043583.db2.gz NHASGENBGBWRMH-UHFFFAOYSA-N 0 0 409.795 3.482 50 0 HGAARN C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1 ZINC000012756671 571044707 /nfs/dbraw/zinc/04/47/07/571044707.db2.gz ZIADRKDDKLTBQW-QGZVFWFLSA-N 0 0 401.532 3.422 50 0 HGAARN CCn1c2ccc(C(=O)Nc3cccc(-c4csc(C)n4)c3)cc2[nH]c(=O)c1=O ZINC000010220037 571047415 /nfs/dbraw/zinc/04/74/15/571047415.db2.gz XLFMUYWTYCJOCB-UHFFFAOYSA-N 0 0 406.467 3.394 50 0 HGAARN CCCCn1c(SCC(=O)NCCc2cccs2)nc2cc(C)[nH]c2c1=O ZINC000067239322 571051872 /nfs/dbraw/zinc/05/18/72/571051872.db2.gz OCDHOABBJFYKNJ-UHFFFAOYSA-N 0 0 404.561 3.346 50 0 HGAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000067245792 571054401 /nfs/dbraw/zinc/05/44/01/571054401.db2.gz DOJHPXPSANRABO-UHFFFAOYSA-N 0 0 400.410 3.403 50 0 HGAARN COc1ccc(CNC(=O)Cn2c(=O)cc(C)nc2Nc2cc(C)cc(C)c2)cc1 ZINC000067246418 571054712 /nfs/dbraw/zinc/05/47/12/571054712.db2.gz MEIQVTOMAJVMNP-UHFFFAOYSA-N 0 0 406.486 3.237 50 0 HGAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000008494452 571061349 /nfs/dbraw/zinc/06/13/49/571061349.db2.gz STKVWVAJRGWTGK-OAHLLOKOSA-N 0 0 414.481 3.380 50 0 HGAARN c1ccc(-c2nnn3c2nc(N2CCN(c4ncccn4)CC2)c2ccccc23)cc1 ZINC000067263362 571061683 /nfs/dbraw/zinc/06/16/83/571061683.db2.gz PWLPHSYXBYRSIY-UHFFFAOYSA-N 0 0 408.469 3.061 50 0 HGAARN CCc1ccc(-n2c(=O)nc3nc(NCc4cc(F)cc(F)c4)[nH]cc-3c2=O)cc1 ZINC000067263581 571062129 /nfs/dbraw/zinc/06/21/29/571062129.db2.gz UACAXHSNWFAVOC-UHFFFAOYSA-N 0 0 409.396 3.334 50 0 HGAARN O=S(=O)(c1nnn2c3ccsc3c(N3CCCC3)nc12)c1ccc(Cl)cc1 ZINC000067264187 571062166 /nfs/dbraw/zinc/06/21/66/571062166.db2.gz WJIVCAPKRJSMPN-UHFFFAOYSA-N 0 0 419.919 3.425 50 0 HGAARN CCCCC[C@H](C)NC(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 ZINC000008506523 571062824 /nfs/dbraw/zinc/06/28/24/571062824.db2.gz CLUIKDGEWTWONP-ZDUSSCGKSA-N 0 0 413.565 3.255 50 0 HGAARN COc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)CC1 ZINC000067284323 571063133 /nfs/dbraw/zinc/06/31/33/571063133.db2.gz KKAFLAXNLMZDRF-UHFFFAOYSA-N 0 0 412.881 3.173 50 0 HGAARN O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000067284336 571063542 /nfs/dbraw/zinc/06/35/42/571063542.db2.gz ONKHGRZXXKRCJZ-UHFFFAOYSA-N 0 0 400.845 3.303 50 0 HGAARN CC(=O)c1ccc(N2CCN(C(=O)c3n[nH]nc3Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000067284579 571063765 /nfs/dbraw/zinc/06/37/65/571063765.db2.gz VWXISFODLRJODL-UHFFFAOYSA-N 0 0 418.501 3.330 50 0 HGAARN 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CCN1CCOc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C1=O ZINC000008961637 571190015 /nfs/dbraw/zinc/19/00/15/571190015.db2.gz QUMIAPHOOSYMHF-UHFFFAOYSA-N 0 0 410.879 3.004 50 0 HGAARN CCN1CCOc2ccc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)cc2C1=O ZINC000008961641 571190051 /nfs/dbraw/zinc/19/00/51/571190051.db2.gz KQCAOCSVIQWOFX-UHFFFAOYSA-N 0 0 418.515 3.377 50 0 HGAARN CCC(=O)N1CCc2cc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)ccc21 ZINC000040144528 571194678 /nfs/dbraw/zinc/19/46/78/571194678.db2.gz UHOAXAQGBUOKGF-UHFFFAOYSA-N 0 0 421.545 3.170 50 0 HGAARN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000040148922 571196664 /nfs/dbraw/zinc/19/66/64/571196664.db2.gz HHVOHYKSCPDTFJ-AWEZNQCLSA-N 0 0 411.845 3.332 50 0 HGAARN COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)Cc1csc(-c2ncccn2)n1 ZINC000040150437 571198823 /nfs/dbraw/zinc/19/88/23/571198823.db2.gz BIQHWBQYTRIHCQ-CYBMUJFWSA-N 0 0 412.471 3.030 50 0 HGAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC000040150832 571199019 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Cc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc3c(c2)OCO3)s1 ZINC000040267312 571214278 /nfs/dbraw/zinc/21/42/78/571214278.db2.gz WSAMXEFVIJPCMT-QZTJIDSGSA-N 0 0 422.466 3.124 50 0 HGAARN Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1COc2ccccc2O1 ZINC000009052770 571216381 /nfs/dbraw/zinc/21/63/81/571216381.db2.gz OKWWNTRVFDIARH-HNNXBMFYSA-N 0 0 405.292 3.468 50 0 HGAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4nccnc4c3)C2=O)cc1 ZINC000009054069 571216596 /nfs/dbraw/zinc/21/65/96/571216596.db2.gz FRDVILOFWAINAO-ZDLGFXPLSA-N 0 0 420.450 3.313 50 0 HGAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)NC[C@H]2CCCO2)cc1 ZINC000009100745 571221207 /nfs/dbraw/zinc/22/12/07/571221207.db2.gz RVHNHQXZCOTYBX-CVEARBPZSA-N 0 0 415.515 3.119 50 0 HGAARN O=C(C(=O)N1CCOCC1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000009096354 571221231 /nfs/dbraw/zinc/22/12/31/571221231.db2.gz DLTDMZSAHHNPQY-UHFFFAOYSA-N 0 0 412.873 3.415 50 0 HGAARN O=C(NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccccc1C(F)(F)F ZINC000009120950 571225661 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Cc1ccc(C)c(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c1 ZINC000009153182 571231414 /nfs/dbraw/zinc/23/14/14/571231414.db2.gz HYDVTAKFZNBBIU-UHFFFAOYSA-N 0 0 421.478 3.295 50 0 HGAARN C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1CCC(C)CC1 ZINC000009182881 571234537 /nfs/dbraw/zinc/23/45/37/571234537.db2.gz YODUYALJRHFRRT-SJLPKXTDSA-N 0 0 420.937 3.382 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000009193380 571235896 /nfs/dbraw/zinc/23/58/96/571235896.db2.gz NFRTZCDKXIRCJN-GFCCVEGCSA-N 0 0 409.895 3.092 50 0 HGAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000009209411 571236871 /nfs/dbraw/zinc/23/68/71/571236871.db2.gz IPEAJXZTUBESII-DDOIHHOZSA-N 0 0 421.884 3.080 50 0 HGAARN Cc1ccc(C)c(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)c1 ZINC000009224622 571238858 /nfs/dbraw/zinc/23/88/58/571238858.db2.gz GAUPTLJFOALTPD-UHFFFAOYSA-N 0 0 421.950 3.348 50 0 HGAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000009239010 571240768 /nfs/dbraw/zinc/24/07/68/571240768.db2.gz LRDWCRGANODPNO-RBUKOAKNSA-N 0 0 409.515 3.061 50 0 HGAARN O=C(CSc1ncnc2sccc21)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009245167 571241259 /nfs/dbraw/zinc/24/12/59/571241259.db2.gz MTAOSSGTVXGXFA-AWEZNQCLSA-N 0 0 419.553 3.004 50 0 HGAARN Cc1cc(C)n2nc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)nc2n1 ZINC000009245132 571241290 /nfs/dbraw/zinc/24/12/90/571241290.db2.gz FVWCDFVZYCRNAM-UHFFFAOYSA-N 0 0 423.864 3.249 50 0 HGAARN O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)N1CCCC[C@@H]1CCO ZINC000009253824 571243116 /nfs/dbraw/zinc/24/31/16/571243116.db2.gz OCUQAWCTDKRJFM-WIZMWCRPSA-N 0 0 406.479 3.016 50 0 HGAARN CC[C@@H](C)Nc1nnc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)s1 ZINC000009256098 571243641 /nfs/dbraw/zinc/24/36/41/571243641.db2.gz GMLSFQSRIADNIK-GFCCVEGCSA-N 0 0 407.565 3.212 50 0 HGAARN COc1ccccc1Nc1nn2c(nc3cc(C(=O)N4CCCC4)ccc3c2=O)s1 ZINC000009274491 571244522 /nfs/dbraw/zinc/24/45/22/571244522.db2.gz LMEOPWZMUWQTLW-UHFFFAOYSA-N 0 0 421.482 3.292 50 0 HGAARN COc1cc(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)cc(OC)c1OC ZINC000009274696 571244615 /nfs/dbraw/zinc/24/46/15/571244615.db2.gz ODZBNYQRJMJCMI-UHFFFAOYSA-N 0 0 423.381 3.121 50 0 HGAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000009284110 571245010 /nfs/dbraw/zinc/24/50/10/571245010.db2.gz VYYOHJHALUNJBO-NRFANRHFSA-N 0 0 418.405 3.446 50 0 HGAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1Cl ZINC000009287674 571245228 /nfs/dbraw/zinc/24/52/28/571245228.db2.gz FLIBZCHOFWWBJI-CYBMUJFWSA-N 0 0 419.938 3.482 50 0 HGAARN O=C(Nc1cccc2ncccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000009305689 571246630 /nfs/dbraw/zinc/24/66/30/571246630.db2.gz ACKBRPBRCYDYKI-HNNXBMFYSA-N 0 0 413.474 3.413 50 0 HGAARN COc1cccc(N2C(SCc3cccc(F)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009306490 571246735 /nfs/dbraw/zinc/24/67/35/571246735.db2.gz QRAJPJPSEZEJDJ-ROUUACIJSA-N 0 0 406.504 3.109 50 0 HGAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000009337392 571249376 /nfs/dbraw/zinc/24/93/76/571249376.db2.gz NNNNGHDKWDREKO-OAHLLOKOSA-N 0 0 415.449 3.179 50 0 HGAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1F ZINC000009342819 571249992 /nfs/dbraw/zinc/24/99/92/571249992.db2.gz KQHWFJFNAAFXDQ-UHFFFAOYSA-N 0 0 419.247 3.034 50 0 HGAARN CCCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc2sc(CC)cc2c1=O ZINC000009362202 571251582 /nfs/dbraw/zinc/25/15/82/571251582.db2.gz VUDHVQIHWOJDLU-QWHCGFSZSA-N 0 0 409.577 3.206 50 0 HGAARN O=C(CCc1nnc(-c2ccccc2)o1)N1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069970257 571251701 /nfs/dbraw/zinc/25/17/01/571251701.db2.gz YVUGOFIBYKHTIT-UHFFFAOYSA-N 0 0 416.485 3.284 50 0 HGAARN O=c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2n1OCc1nc2ccccc2[nH]1 ZINC000009370628 571252592 /nfs/dbraw/zinc/25/25/92/571252592.db2.gz ZWMSOERNTKVYIL-UHFFFAOYSA-N 0 0 418.840 3.460 50 0 HGAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCCC2)cc1 ZINC000009376656 571252900 /nfs/dbraw/zinc/25/29/00/571252900.db2.gz MDBMEMSDXAHEQW-QGZVFWFLSA-N 0 0 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CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CN1CCOCC1 ZINC000020449478 521371223 /nfs/dbraw/zinc/37/12/23/521371223.db2.gz IJTWSVBXLTULQV-UHFFFAOYSA-N 0 0 402.516 3.479 50 0 HGAARN CCCc1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)[nH]1 ZINC000032883926 521463303 /nfs/dbraw/zinc/46/33/03/521463303.db2.gz XJTGVSASYVXVJW-JTQLQIEISA-N 0 0 408.549 3.461 50 0 HGAARN CCOc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn21 ZINC000032888169 521549544 /nfs/dbraw/zinc/54/95/44/521549544.db2.gz DYBQSJBCILUPJU-UHFFFAOYSA-N 0 0 401.426 3.146 50 0 HGAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032964071 521553304 /nfs/dbraw/zinc/55/33/04/521553304.db2.gz LDWWQINFCKQQMY-UHFFFAOYSA-N 0 0 409.486 3.313 50 0 HGAARN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(C(C)=O)cc1 ZINC000040309263 521703322 /nfs/dbraw/zinc/70/33/22/521703322.db2.gz PKILOSHGBGCJJA-HSZRJFAPSA-N 0 0 405.454 3.217 50 0 biogenic HGAARN COc1c(C)cnc(CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)c1C ZINC000031812216 521812529 /nfs/dbraw/zinc/81/25/29/521812529.db2.gz GPYUPZRUAYKCED-NRFANRHFSA-N 0 0 408.502 3.132 50 0 HGAARN CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl ZINC000043728863 522023382 /nfs/dbraw/zinc/02/33/82/522023382.db2.gz NQXFGMRKTUGEPS-KXBFYZLASA-N 0 0 403.910 3.204 50 0 HGAARN COc1cc(C(=O)N2CCC(CC(=O)NCCC(C)C)CC2)cc(OC)c1OC ZINC000032974263 522069703 /nfs/dbraw/zinc/06/97/03/522069703.db2.gz PVUHBRNPXJNRBZ-UHFFFAOYSA-N 0 0 406.523 3.117 50 0 HGAARN COC(=O)c1ccc(F)c(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1 ZINC000032903236 522070536 /nfs/dbraw/zinc/07/05/36/522070536.db2.gz GBWXUNRSMNOAFP-UHFFFAOYSA-N 0 0 403.391 3.095 50 0 HGAARN COc1cc(CN(C(=O)c2ccc(-n3cnnn3)cc2)C2CC2)ccc1OC(F)F ZINC000032772471 522341588 /nfs/dbraw/zinc/34/15/88/522341588.db2.gz WDTYXWGAAXEBPT-UHFFFAOYSA-N 0 0 415.400 3.077 50 0 HGAARN COc1cc(CN(C(=O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)ccc1OC(F)F ZINC000032772476 522341786 /nfs/dbraw/zinc/34/17/86/522341786.db2.gz BBPBICCPMFYOTP-UHFFFAOYSA-N 0 0 415.400 3.282 50 0 HGAARN CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(Br)cc1F ZINC000040478666 522494886 /nfs/dbraw/zinc/49/48/86/522494886.db2.gz RYAXHRVJFRCITR-UHFFFAOYSA-N 0 0 404.239 3.499 50 0 HGAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)n1 ZINC000044922026 522598841 /nfs/dbraw/zinc/59/88/41/522598841.db2.gz QOWBWKJQMRTUCB-MRXNPFEDSA-N 0 0 409.461 3.196 50 0 HGAARN COc1cc(I)c(Cl)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000032815601 522616975 /nfs/dbraw/zinc/61/69/75/522616975.db2.gz VYLGSCWUQDGHSM-RKDXNWHRSA-N 0 0 409.651 3.203 50 0 HGAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 ZINC000040160005 522625119 /nfs/dbraw/zinc/62/51/19/522625119.db2.gz QPYXBKDQIIOGKN-NSHDSACASA-N 0 0 400.859 3.045 50 0 HGAARN COc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1Br ZINC000032602310 522895826 /nfs/dbraw/zinc/89/58/26/522895826.db2.gz ZJSCWDMGZWSBOW-UHFFFAOYSA-N 0 0 409.305 3.103 50 0 HGAARN CC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000028323900 522902899 /nfs/dbraw/zinc/90/28/99/522902899.db2.gz VQUJIWMVXAMCFA-JCFBCRGFSA-N 0 0 411.589 3.363 50 0 HGAARN COc1cc([C@H](CC(=O)NC(C)C)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561588 522949670 /nfs/dbraw/zinc/94/96/70/522949670.db2.gz MAWRUPXSEHALKT-SFHVURJKSA-N 0 0 412.486 3.324 50 0 HGAARN COC(=O)CCCN(C)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000032278358 523008135 /nfs/dbraw/zinc/00/81/35/523008135.db2.gz COAMQASUAVVADB-UHFFFAOYSA-N 0 0 402.516 3.277 50 0 HGAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C1CCN(C(C)=O)CC1)CC2 ZINC000032970870 523040247 /nfs/dbraw/zinc/04/02/47/523040247.db2.gz AAGSFBSYEJCSAU-XMMPIXPASA-N 0 0 422.525 3.436 50 0 HGAARN CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000043398241 523149086 /nfs/dbraw/zinc/14/90/86/523149086.db2.gz XLFNZIUNDHSTQB-INIZCTEOSA-N 0 0 417.893 3.480 50 0 HGAARN COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000032950459 523217288 /nfs/dbraw/zinc/21/72/88/523217288.db2.gz FRBGQNOHGZDCEN-UHFFFAOYSA-N 0 0 414.531 3.220 50 0 HGAARN CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc(=O)c2c(C)cc(C)nc21 ZINC000020214938 523228010 /nfs/dbraw/zinc/22/80/10/523228010.db2.gz CSAUXZDGYYWJHU-UHFFFAOYSA-N 0 0 404.442 3.437 50 0 HGAARN CCn1c2ccc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc2nc(C)c1=O ZINC000032739413 523259030 /nfs/dbraw/zinc/25/90/30/523259030.db2.gz OFENONVEONKEEU-INIZCTEOSA-N 0 0 416.485 3.139 50 0 HGAARN COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)[nH]c1=O ZINC000072405512 523280288 /nfs/dbraw/zinc/28/02/88/523280288.db2.gz JTORLJONCNGOTQ-HNNXBMFYSA-N 0 0 411.410 3.131 50 0 HGAARN CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000015360320 523374576 /nfs/dbraw/zinc/37/45/76/523374576.db2.gz QJHMZVHSGAXJLK-UHFFFAOYSA-N 0 0 414.449 3.363 50 0 HGAARN COc1ccc(Br)cc1CN(C)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000013095620 523497822 /nfs/dbraw/zinc/49/78/22/523497822.db2.gz WHYBCYNUGPACJO-ORAYPTAESA-N 0 0 424.339 3.348 50 0 HGAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000032716609 523595303 /nfs/dbraw/zinc/59/53/03/523595303.db2.gz RARKEVMHLDREPL-QGZVFWFLSA-N 0 0 414.845 3.107 50 0 HGAARN COc1ccc(C(=O)N2CCCc3cc(C)ccc32)cc1S(=O)(=O)NC1CC1 ZINC000032904907 523644962 /nfs/dbraw/zinc/64/49/62/523644962.db2.gz ZTYFFOGQKDNERB-UHFFFAOYSA-N 0 0 400.500 3.037 50 0 HGAARN COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccccc3OC(F)F)CC2)cc1 ZINC000032764756 523645345 /nfs/dbraw/zinc/64/53/45/523645345.db2.gz LNCZNOGAPWXRLS-DHZHZOJOSA-N 0 0 416.424 3.294 50 0 HGAARN CN1C(=O)C[C@@H](C(=O)Nc2nnc(CCc3ccccc3)s2)[C@H]1c1ccccc1 ZINC000072400606 523701618 /nfs/dbraw/zinc/70/16/18/523701618.db2.gz AKAYBRCWMJZOKZ-YLJYHZDGSA-N 0 0 406.511 3.481 50 0 HGAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040284061 523737235 /nfs/dbraw/zinc/73/72/35/523737235.db2.gz AKDPOMNPYIUITJ-ROUUACIJSA-N 0 0 407.451 3.421 50 0 HGAARN COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000031814250 523828530 /nfs/dbraw/zinc/82/85/30/523828530.db2.gz ZRBMVUAFQFDORV-HNNXBMFYSA-N 0 0 411.849 3.438 50 0 HGAARN COC(=O)[C@H](CCSC)NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000032074361 523899341 /nfs/dbraw/zinc/89/93/41/523899341.db2.gz NHUZRPAZHDWCFE-HIFRSBDPSA-N 0 0 407.561 3.480 50 0 HGAARN COC(=O)[C@H](CCSC)NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000032074363 523899481 /nfs/dbraw/zinc/89/94/81/523899481.db2.gz NHUZRPAZHDWCFE-ZFWWWQNUSA-N 0 0 407.561 3.480 50 0 HGAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cccnc2SC)CC1 ZINC000032942463 523941255 /nfs/dbraw/zinc/94/12/55/523941255.db2.gz FRNCLCPBWCPYET-KRWDZBQOSA-N 0 0 419.934 3.129 50 0 HGAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)c(OC)c1 ZINC000032960078 524064589 /nfs/dbraw/zinc/06/45/89/524064589.db2.gz YBINGHQKWHNSQL-KRWDZBQOSA-N 0 0 424.501 3.390 50 0 HGAARN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCNC(=O)c2cccn2C)c1 ZINC000032754217 524088243 /nfs/dbraw/zinc/08/82/43/524088243.db2.gz WCDXRQCBEQNAEI-UHFFFAOYSA-N 0 0 403.482 3.033 50 0 HGAARN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2CC(N)=O)c1 ZINC000032741933 524126637 /nfs/dbraw/zinc/12/66/37/524126637.db2.gz SWFRGWWCFMEEMZ-UHFFFAOYSA-N 0 0 423.542 3.395 50 0 HGAARN Cc1cccc(-n2nnnc2SCc2nc(N)nc(Nc3ccc(F)cc3)n2)c1C ZINC000027429384 524148694 /nfs/dbraw/zinc/14/86/94/524148694.db2.gz JXYCUPLDDAPAOC-UHFFFAOYSA-N 0 0 423.481 3.221 50 0 HGAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCC(OCc2ccccc2)CC1 ZINC000032851168 524278756 /nfs/dbraw/zinc/27/87/56/524278756.db2.gz MIPUPAQNLAIMEB-HXUWFJFHSA-N 0 0 423.557 3.428 50 0 HGAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)O[C@@H]1C[C@H](C)OC1=O ZINC000032736715 524286908 /nfs/dbraw/zinc/28/69/08/524286908.db2.gz LSZMRYATXXLKBB-MGPUTAFESA-N 0 0 406.438 3.468 50 0 HGAARN COc1ccccc1-c1nnc2sc(NC(=O)COc3ccc(C)c(C)c3)nn21 ZINC000041076535 524291510 /nfs/dbraw/zinc/29/15/10/524291510.db2.gz XJGVQVLSXSDTHR-UHFFFAOYSA-N 0 0 409.471 3.496 50 0 HGAARN Cc1ccc(CCNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000032973983 524325038 /nfs/dbraw/zinc/32/50/38/524325038.db2.gz CXRNWMBBJWZDGN-UHFFFAOYSA-N 0 0 414.571 3.453 50 0 HGAARN COc1ccc(N2C[C@H](c3nc(-c4cccc(C(=O)NC(C)C)c4)no3)CC2=O)cc1 ZINC000040451044 524449257 /nfs/dbraw/zinc/44/92/57/524449257.db2.gz XRJNZGNXVFPIBR-QGZVFWFLSA-N 0 0 420.469 3.404 50 0 HGAARN COc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1 ZINC000044357717 524549917 /nfs/dbraw/zinc/54/99/17/524549917.db2.gz AMGHNUDMSBBERW-UHFFFAOYSA-N 0 0 410.518 3.194 50 0 HGAARN COc1ccccc1NC(=O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000012388871 524594161 /nfs/dbraw/zinc/59/41/61/524594161.db2.gz GRVXCKKTIDQFBC-UHFFFAOYSA-N 0 0 406.467 3.464 50 0 HGAARN Cc1ccc(Cc2cnc(NC(=O)CCn3nnc4ccccc4c3=O)s2)cc1F ZINC000032817109 524692937 /nfs/dbraw/zinc/69/29/37/524692937.db2.gz MSUBOPIUKFGJBW-UHFFFAOYSA-N 0 0 423.473 3.315 50 0 HGAARN COc1ccccc1[C@@H](CNC(=O)C1CCN(C(=O)c2ccsc2)CC1)N(C)C ZINC000032695600 524731608 /nfs/dbraw/zinc/73/16/08/524731608.db2.gz HJFJNULCKSDYIJ-LJQANCHMSA-N 0 0 415.559 3.028 50 0 HGAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2nc3cc(C)c(C)cc3n(C)c2=O)CC1 ZINC000032958016 524732641 /nfs/dbraw/zinc/73/26/41/524732641.db2.gz CATUCGNTWBRXTE-UHFFFAOYSA-N 0 0 424.932 3.475 50 0 HGAARN Cc1cccc(S(=O)(=O)N2CN(C[C@H]3CCCO3)c3nc4ccccc4nc32)c1 ZINC000245257261 524797095 /nfs/dbraw/zinc/79/70/95/524797095.db2.gz YBPRXYYVZPIKDL-MRXNPFEDSA-N 0 0 410.499 3.090 50 0 HGAARN COc1ccc(OC)c(CN2CCN(C(=O)NCC3(c4ccccc4)CC3)CC2)c1 ZINC000032889701 524826980 /nfs/dbraw/zinc/82/69/80/524826980.db2.gz WCFGOOIAEJCJPS-UHFFFAOYSA-N 0 0 409.530 3.263 50 0 HGAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)c1 ZINC000045942863 524855425 /nfs/dbraw/zinc/85/54/25/524855425.db2.gz GNHVGAJMZLNSIU-UHFFFAOYSA-N 0 0 413.430 3.406 50 0 HGAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000032808823 524879776 /nfs/dbraw/zinc/87/97/76/524879776.db2.gz XJYRGIJWILRWTI-ZDUSSCGKSA-N 0 0 419.478 3.377 50 0 HGAARN C[C@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2 ZINC000032731317 524930959 /nfs/dbraw/zinc/93/09/59/524930959.db2.gz WCNCSDBLCHBWRB-ZDUSSCGKSA-N 0 0 404.413 3.123 50 0 HGAARN 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/nfs/dbraw/zinc/30/05/60/558300560.db2.gz MTMDCGZCTGAGSG-UHFFFAOYSA-N 0 0 414.449 3.221 50 0 HGAARN COc1ccccc1-n1cc(C(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)cn1 ZINC000011937481 558301097 /nfs/dbraw/zinc/30/10/97/558301097.db2.gz MUYWAZBSGXBBPN-HNNXBMFYSA-N 0 0 402.458 3.261 50 0 HGAARN O=C(c1cn(CCCc2ccccc2)nn1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000011937639 558301269 /nfs/dbraw/zinc/30/12/69/558301269.db2.gz JMWUPPDZXHUCDU-NRFANRHFSA-N 0 0 405.502 3.127 50 0 HGAARN CCOc1cc(CN2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)ccc1OC ZINC000019889654 558302830 /nfs/dbraw/zinc/30/28/30/558302830.db2.gz NXWOVKANWDNHDO-UHFFFAOYSA-N 0 0 416.518 3.135 50 0 biogenic HGAARN Cc1cc(C)cc(C(=O)N2CCC([C@@]3(C)NC(=O)N(Cc4ccncc4)C3=O)CC2)c1 ZINC000011966266 558304288 /nfs/dbraw/zinc/30/42/88/558304288.db2.gz KXQHGXUCLVOWAY-XMMPIXPASA-N 0 0 420.513 3.061 50 0 HGAARN Cc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)cc1Cl ZINC000019909421 558306375 /nfs/dbraw/zinc/30/63/75/558306375.db2.gz CYVYSLFZUFCUQC-UHFFFAOYSA-N 0 0 422.934 3.192 50 0 HGAARN O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cn(C2CCCCC2)cc(C(=O)NC2CC2)c1=O ZINC000012035348 558311621 /nfs/dbraw/zinc/31/16/21/558311621.db2.gz SDBJDOIYXVTXHW-IXDOHACOSA-N 0 0 409.530 3.188 50 0 HGAARN CCOC(=O)[C@@](NCc1cccc(C(F)(F)F)c1)(NC(=O)CC)C(F)(F)F ZINC000019939229 558313432 /nfs/dbraw/zinc/31/34/32/558313432.db2.gz IYWPSMCNQLMKKH-CQSZACIVSA-N 0 0 400.319 3.143 50 0 HGAARN COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)CC1 ZINC000012050935 558314087 /nfs/dbraw/zinc/31/40/87/558314087.db2.gz MDEKDTSVRVACPT-INIZCTEOSA-N 0 0 414.477 3.333 50 0 HGAARN CN(C[C@@H](O)c1ccccc1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012051572 558314109 /nfs/dbraw/zinc/31/41/09/558314109.db2.gz GGUFCWHQHHFWEC-HSZRJFAPSA-N 0 0 422.525 3.272 50 0 HGAARN COCCCC1CCN(C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000012053184 558314907 /nfs/dbraw/zinc/31/49/07/558314907.db2.gz GQKPYGVZDYWUSS-FQEVSTJZSA-N 0 0 404.526 3.272 50 0 HGAARN Cc1ccccc1[C@H]1CC(=O)c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2C1 ZINC000019957382 558315049 /nfs/dbraw/zinc/31/50/49/558315049.db2.gz CGOSFXXGVAFEDF-QGZVFWFLSA-N 0 0 416.481 3.253 50 0 HGAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCC3)CC2=O)c1 ZINC000012062032 558317120 /nfs/dbraw/zinc/31/71/20/558317120.db2.gz XYXJBYDDYCLRMM-GOSISDBHSA-N 0 0 402.498 3.488 50 0 HGAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCC3)CC2=O)cc1 ZINC000012062147 558317359 /nfs/dbraw/zinc/31/73/59/558317359.db2.gz IUJJEFQFAJPBET-SFHVURJKSA-N 0 0 402.498 3.488 50 0 HGAARN Cc1ccsc1C(=O)N1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000012073023 558318277 /nfs/dbraw/zinc/31/82/77/558318277.db2.gz KNYYTIVWIDCGKS-UHFFFAOYSA-N 0 0 414.527 3.213 50 0 HGAARN COc1cccc(CNc2ncnc3sc(C(=O)N4CCC[C@H]4CO)c(C)c32)c1 ZINC000012078687 558320442 /nfs/dbraw/zinc/32/04/42/558320442.db2.gz FEHHUYLGDLUEFA-HNNXBMFYSA-N 0 0 412.515 3.217 50 0 HGAARN Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=N[C@H]2c1ccccc1 ZINC000020028271 558322864 /nfs/dbraw/zinc/32/28/64/558322864.db2.gz DBFTZCDJCPNXEZ-OAQYLSRUSA-N 0 0 400.486 3.409 50 0 HGAARN COC(=O)[C@H](N[C@H]1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1ccccc1OC ZINC000020058054 558328972 /nfs/dbraw/zinc/32/89/72/558328972.db2.gz SQEYVWQLCGFYLQ-FGZHOGPDSA-N 0 0 424.497 3.212 50 0 HGAARN COc1ccc(-c2noc(CN(C)Cc3nc4ccccc4[nH]3)n2)c(OC)c1OC ZINC000020110007 558335289 /nfs/dbraw/zinc/33/52/89/558335289.db2.gz SJQFZUBXIKTYON-UHFFFAOYSA-N 0 0 409.446 3.271 50 0 HGAARN COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3ccon3)cc(-n3cnnn3)c2)cc1 ZINC000012149902 558338930 /nfs/dbraw/zinc/33/89/30/558338930.db2.gz PQQMBKPDRYZEFQ-AWEZNQCLSA-N 0 0 404.430 3.159 50 0 HGAARN Cc1ccc2c(c1)CN(CCNC(=O)c1ccc(N3CCCC3=O)cc1)C[C@H](C)O2 ZINC000012158475 558340988 /nfs/dbraw/zinc/34/09/88/558340988.db2.gz OBCMTOQTROWPDD-SFHVURJKSA-N 0 0 407.514 3.135 50 0 HGAARN O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020202793 558346052 /nfs/dbraw/zinc/34/60/52/558346052.db2.gz LWCSFYYYZKLDRS-RMKNXTFCSA-N 0 0 421.932 3.451 50 0 HGAARN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000012205713 558352758 /nfs/dbraw/zinc/35/27/58/558352758.db2.gz ONRVFQPHOMDFFL-UHFFFAOYSA-N 0 0 412.534 3.408 50 0 HGAARN CN(Cc1ccccn1)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 ZINC000020271611 558353063 /nfs/dbraw/zinc/35/30/63/558353063.db2.gz LOUMPPPEQLJFCN-UHFFFAOYSA-N 0 0 403.486 3.192 50 0 HGAARN COCC(=O)N1CCC(Oc2ccccc2C(=O)NCCCc2ccccc2)CC1 ZINC000012207630 558353308 /nfs/dbraw/zinc/35/33/08/558353308.db2.gz KPNYRLCJEPMSDW-UHFFFAOYSA-N 0 0 410.514 3.065 50 0 HGAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2n(Cc2ccccc2)c1=N ZINC000020324849 558355584 /nfs/dbraw/zinc/35/55/84/558355584.db2.gz QSARQDDLCZSVDS-IBGZPJMESA-N 0 0 403.482 3.419 50 0 aggregator HGAARN Cc1nn(C)cc1CN(C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1 ZINC000012243864 558360936 /nfs/dbraw/zinc/36/09/36/558360936.db2.gz CXOBLOYVVBMQDJ-UHFFFAOYSA-N 0 0 420.970 3.069 50 0 HGAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012274854 558363642 /nfs/dbraw/zinc/36/36/42/558363642.db2.gz RUQTZUURGKOHKU-UHFFFAOYSA-N 0 0 400.456 3.014 50 0 HGAARN COCCSc1nnc(CCNC(=O)c2ccc(-c3cccc(F)c3)cc2)n1C ZINC000012279891 558364966 /nfs/dbraw/zinc/36/49/66/558364966.db2.gz UPMZGIQBKQUKHZ-UHFFFAOYSA-N 0 0 414.506 3.332 50 0 HGAARN O=C(CCC(=O)OCCCc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 ZINC000012293929 558367358 /nfs/dbraw/zinc/36/73/58/558367358.db2.gz DAFJXSHHDUBFHB-UHFFFAOYSA-N 0 0 424.497 3.054 50 0 HGAARN COc1cc(C(=O)N2CCOc3ccccc3C2)ccc1OC1CCN(C(C)=O)CC1 ZINC000012298169 558368137 /nfs/dbraw/zinc/36/81/37/558368137.db2.gz QNVCZGILBJQOJH-UHFFFAOYSA-N 0 0 424.497 3.120 50 0 HGAARN O=C(c1nc2ccc(Cl)cn2c1CN1CCC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000012301397 558371239 /nfs/dbraw/zinc/37/12/39/558371239.db2.gz ZSZDVFBIUZUVJB-IBGZPJMESA-N 0 0 424.932 3.143 50 0 HGAARN O=C(NC[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012301708 558371587 /nfs/dbraw/zinc/37/15/87/558371587.db2.gz ZRBMRUMTBPUCNM-IBGZPJMESA-N 0 0 415.493 3.269 50 0 HGAARN O=C(NC1CCC2(CC1)OCCO2)c1cc(-c2ccccc2)n(-c2ccccn2)n1 ZINC000046199129 558373872 /nfs/dbraw/zinc/37/38/72/558373872.db2.gz VACOBLDKOCLAEN-UHFFFAOYSA-N 0 0 404.470 3.350 50 0 HGAARN CN(Cc1[nH]nc2c1CCCCC2)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000012306080 558375086 /nfs/dbraw/zinc/37/50/86/558375086.db2.gz KFTOGHVDDLSSAN-KRWDZBQOSA-N 0 0 412.509 3.215 50 0 HGAARN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1CN(Cc1ccccc1Cl)CN2 ZINC000020495085 558380176 /nfs/dbraw/zinc/38/01/76/558380176.db2.gz SDDFZEHHMIHZOP-UHFFFAOYSA-N 0 0 403.269 3.218 50 0 HGAARN COC(=O)c1cc(-c2ccco2)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC ZINC000020604164 558386461 /nfs/dbraw/zinc/38/64/61/558386461.db2.gz DPWMPRPBHOBAED-UHFFFAOYSA-N 0 0 409.423 3.498 50 0 HGAARN CCn1cc(-c2csc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)n2)cn1 ZINC000020607505 558388441 /nfs/dbraw/zinc/38/84/41/558388441.db2.gz SQQKLJQWPDVORB-UHFFFAOYSA-N 0 0 410.425 3.369 50 0 HGAARN Cc1nn(Cc2noc(C(=O)NCc3ccccc3Cl)n2)c(C)c1Br ZINC000012372214 558390075 /nfs/dbraw/zinc/39/00/75/558390075.db2.gz SJFZXUKRUXDTFK-UHFFFAOYSA-N 0 0 424.686 3.277 50 0 HGAARN COc1ccccc1C1=NO[C@H](C(=O)N2CC[C@H](C(F)(F)F)n3nc(C)cc32)C1 ZINC000020617461 558393888 /nfs/dbraw/zinc/39/38/88/558393888.db2.gz FQPLKJZWCVUJMF-JKSUJKDBSA-N 0 0 408.380 3.233 50 0 HGAARN CSc1nc2c3c(sc2c2nnc(SCCN4CCOCC4)n21)CCCC3 ZINC000020648860 558397501 /nfs/dbraw/zinc/39/75/01/558397501.db2.gz LXIROUFFYKZJJX-UHFFFAOYSA-N 0 0 421.617 3.364 50 0 HGAARN COc1ccc(CNC(=O)CCS[C@@H]2CCc3ccccc3NC2=O)cc1OC ZINC000012409082 558399605 /nfs/dbraw/zinc/39/96/05/558399605.db2.gz JVTNNHMPXYVFSO-HXUWFJFHSA-N 0 0 414.527 3.397 50 0 HGAARN COc1ccccc1CNC(=O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000012409529 558400085 /nfs/dbraw/zinc/40/00/85/558400085.db2.gz GLXVORDLOHTMCX-UHFFFAOYSA-N 0 0 420.494 3.142 50 0 HGAARN CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020714223 558400627 /nfs/dbraw/zinc/40/06/27/558400627.db2.gz YSYXTVVVSQVOCF-QHCPKHFHSA-N 0 0 418.541 3.267 50 0 HGAARN CCCN1C(=O)[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000012411064 558400753 /nfs/dbraw/zinc/40/07/53/558400753.db2.gz DFRCWNVWAMRDTQ-IBGZPJMESA-N 0 0 418.456 3.463 50 0 HGAARN COCCN1CN=C2N[C@H](c3ccc(Cl)cc3F)n3c4ccccc4nc3N2C1 ZINC000020715144 558401148 /nfs/dbraw/zinc/40/11/48/558401148.db2.gz XXQONOYOMLLMOO-SFHVURJKSA-N 0 0 414.872 3.018 50 0 HGAARN CCc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2-c2ccccc2)cc1 ZINC000012413377 558401651 /nfs/dbraw/zinc/40/16/51/558401651.db2.gz ASBUALZVILJXPA-UHFFFAOYSA-N 0 0 405.483 3.402 50 0 biogenic,in-vitro HGAARN COc1ccccc1OCc1nn2c(COc3ccc4c(c3)OCO4)nnc2s1 ZINC000020721584 558402993 /nfs/dbraw/zinc/40/29/93/558402993.db2.gz HRHLEABZVONBJP-UHFFFAOYSA-N 0 0 412.427 3.081 50 0 HGAARN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1CN(Cc1ccc(Cl)cc1)CN2 ZINC000012429207 558404213 /nfs/dbraw/zinc/40/42/13/558404213.db2.gz NEAADEBTBYHIAT-UHFFFAOYSA-N 0 0 403.269 3.218 50 0 HGAARN CC(C)C(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)CC1 ZINC000020725448 558404701 /nfs/dbraw/zinc/40/47/01/558404701.db2.gz FPURVLUXPSKXDC-UHFFFAOYSA-N 0 0 402.564 3.222 50 0 HGAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012430494 558405289 /nfs/dbraw/zinc/40/52/89/558405289.db2.gz DYNKMCDSBDKVAW-HNNXBMFYSA-N 0 0 424.545 3.308 50 0 HGAARN CCOC(=O)N1CCC(NC(=O)Cn2ccc3ccc(Br)cc32)CC1 ZINC000020735506 558407723 /nfs/dbraw/zinc/40/77/23/558407723.db2.gz BKSNDTBNFWWINO-UHFFFAOYSA-N 0 0 408.296 3.141 50 0 HGAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000020744442 558409184 /nfs/dbraw/zinc/40/91/84/558409184.db2.gz HLRVBPFKEDKYHW-MRXNPFEDSA-N 0 0 406.398 3.459 50 0 HGAARN CCOC(=O)N1CCC(NC(=O)CCS[C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000020745450 558410279 /nfs/dbraw/zinc/41/02/79/558410279.db2.gz FCWXPFBAOORNCE-GOSISDBHSA-N 0 0 419.547 3.450 50 0 HGAARN Cc1nc(NCc2cccc(F)c2)sc1-c1ccn(CCN2CCOCC2)n1 ZINC000020777463 558412169 /nfs/dbraw/zinc/41/21/69/558412169.db2.gz MPZYTBRCPJNCRW-UHFFFAOYSA-N 0 0 401.511 3.398 50 0 HGAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)CCSC)CC1)c1ccccc1 ZINC000012441825 558412370 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COc1ccc(CN2CCN(Cc3c(F)ccc(F)c3F)C[C@@H]2CCO)c(F)c1 ZINC000020998884 558427830 /nfs/dbraw/zinc/42/78/30/558427830.db2.gz XMRAPIHCIPJORX-HNNXBMFYSA-N 0 0 412.427 3.320 50 0 HGAARN CCCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000021027471 558429750 /nfs/dbraw/zinc/42/97/50/558429750.db2.gz VCDCEGSVVDTVKK-UHFFFAOYSA-N 0 0 410.879 3.108 50 0 HGAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ncn3n2)cc1 ZINC000021027414 558429796 /nfs/dbraw/zinc/42/97/96/558429796.db2.gz IHSPHCSLPOWYOY-UHFFFAOYSA-N 0 0 423.860 3.249 50 0 HGAARN COCC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1 ZINC000012577993 558431492 /nfs/dbraw/zinc/43/14/92/558431492.db2.gz YRVCQFJHVNSPKG-LJQANCHMSA-N 0 0 418.534 3.116 50 0 HGAARN CCn1nc(CC(C)C)cc1C(=O)N1CCC(CCC(=O)NC[C@H]2CCCO2)CC1 ZINC000012581863 558432866 /nfs/dbraw/zinc/43/28/66/558432866.db2.gz BZFGYCJHTNLARW-HXUWFJFHSA-N 0 0 418.582 3.029 50 0 HGAARN CC(C)c1nnc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)[nH]1 ZINC000021238132 558434120 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Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325523 558828283 /nfs/dbraw/zinc/82/82/83/558828283.db2.gz PKYCLJXVOCCUSK-HXUWFJFHSA-N 0 0 423.538 3.457 50 0 HGAARN O=C(NCNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000000639636 558828412 /nfs/dbraw/zinc/82/84/12/558828412.db2.gz XFFVBGMABUSLSJ-UHFFFAOYSA-N 0 0 412.081 3.329 50 0 HGAARN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1Cl ZINC000004591353 558829295 /nfs/dbraw/zinc/82/92/95/558829295.db2.gz QRJMYTJJMPZIBO-UHFFFAOYSA-N 0 0 413.905 3.263 50 0 HGAARN Cc1ccccc1C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C(=O)[O-])c2c1 ZINC000033010342 558829636 /nfs/dbraw/zinc/82/96/36/558829636.db2.gz XAXNEZSELQQEIE-UHFFFAOYSA-N 0 0 404.470 3.246 50 0 HGAARN O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)NCc1cccnc1 ZINC000033011503 558830836 /nfs/dbraw/zinc/83/08/36/558830836.db2.gz HWAJHUJUNXCTNM-UHFFFAOYSA-N 0 0 419.919 3.247 50 0 HGAARN O=C(CSc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCc1cccs1 ZINC000033011669 558830939 /nfs/dbraw/zinc/83/09/39/558830939.db2.gz JFQIAINJOCYIPE-UHFFFAOYSA-N 0 0 422.532 3.442 50 0 HGAARN Cc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(C)cc3)s2)o1 ZINC000033011771 558831042 /nfs/dbraw/zinc/83/10/42/558831042.db2.gz XFNLYIQTVJKDGY-UHFFFAOYSA-N 0 0 402.501 3.409 50 0 HGAARN O=C1C[C@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000018105703 558831247 /nfs/dbraw/zinc/83/12/47/558831247.db2.gz VYGVEUBWYPYNTO-SFHVURJKSA-N 0 0 404.297 3.448 50 0 HGAARN COC(=O)[C@H](CSCc1ccccc1)NC(=O)CSc1nc2ccccc2[nH]1 ZINC000004593423 558831318 /nfs/dbraw/zinc/83/13/18/558831318.db2.gz GDRLRBCLQZQPAW-KRWDZBQOSA-N 0 0 415.540 3.246 50 0 HGAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(N)=O)c(Cl)c3N2)cc1OC ZINC000018194757 558833138 /nfs/dbraw/zinc/83/31/38/558833138.db2.gz KMUOGANIBBUKLZ-KWQFWETISA-N 0 0 404.776 3.313 50 0 HGAARN C[C@H](CNC(=O)Cn1cnc2sccc2c1=O)c1nc2ccccc2n1C(F)F ZINC000010638584 558833232 /nfs/dbraw/zinc/83/32/32/558833232.db2.gz FHCJAKQHDJYADF-LLVKDONJSA-N 0 0 417.441 3.123 50 0 HGAARN COc1cccc(N2CCN([C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)c1 ZINC000018249402 558834611 /nfs/dbraw/zinc/83/46/11/558834611.db2.gz YQJFVIQUEDCEIU-QHCPKHFHSA-N 0 0 415.493 3.303 50 0 HGAARN CCOC(=O)c1csc(N(C)S(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 ZINC000072312868 558838133 /nfs/dbraw/zinc/83/81/33/558838133.db2.gz WSMSLJNQHOKCJS-UHFFFAOYSA-N 0 0 410.517 3.466 50 0 HGAARN O=C(NCc1ccco1)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000013571201 558844642 /nfs/dbraw/zinc/84/46/42/558844642.db2.gz ZTNDYXVSJHIENI-LJQANCHMSA-N 0 0 418.453 3.325 50 0 HGAARN COCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000021158709 558845799 /nfs/dbraw/zinc/84/57/99/558845799.db2.gz IKGQLRDUEOMLJN-UHFFFAOYSA-N 0 0 410.493 3.203 50 0 HGAARN Cn1ccnc1[C@@H](O)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000019143710 558846469 /nfs/dbraw/zinc/84/64/69/558846469.db2.gz DPLFBNPXWWNEFX-KRWDZBQOSA-N 0 0 421.423 3.435 50 0 HGAARN CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21 ZINC000013610431 558847347 /nfs/dbraw/zinc/84/73/47/558847347.db2.gz PHSCUOOZPWRKJS-UHFFFAOYSA-N 0 0 404.488 3.058 50 0 HGAARN CC1CCC(C)(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000060338017 558851869 /nfs/dbraw/zinc/85/18/69/558851869.db2.gz ZIINAWCDBOKPQI-UHFFFAOYSA-N 0 0 402.354 3.449 50 0 HGAARN CC(C)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000033028311 558852091 /nfs/dbraw/zinc/85/20/91/558852091.db2.gz XRDSVNKOXJCWQF-OAHLLOKOSA-N 0 0 418.515 3.277 50 0 HGAARN O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000033029189 558852239 /nfs/dbraw/zinc/85/22/39/558852239.db2.gz SEHKAWAOFJNVSS-KXBFYZLASA-N 0 0 424.888 3.058 50 0 HGAARN O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000033029191 558852251 /nfs/dbraw/zinc/85/22/51/558852251.db2.gz SEHKAWAOFJNVSS-DNVCBOLYSA-N 0 0 424.888 3.058 50 0 HGAARN O=C(CNc1cccc(C(F)(F)F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000011125127 558854040 /nfs/dbraw/zinc/85/40/40/558854040.db2.gz AAVASZXSMDRWAI-KRWDZBQOSA-N 0 0 412.433 3.338 50 0 HGAARN COc1ccc2cc(CNC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)ccc2c1 ZINC000011125411 558854223 /nfs/dbraw/zinc/85/42/23/558854223.db2.gz YOIFTXBNHOVFJZ-UHFFFAOYSA-N 0 0 410.495 3.101 50 0 HGAARN COCc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)s1 ZINC000033032153 558856646 /nfs/dbraw/zinc/85/66/46/558856646.db2.gz LZSVRXPLJKUDGU-UHFFFAOYSA-N 0 0 400.435 3.006 50 0 HGAARN COc1ccc(C2(CNC(=O)c3cn(C)c(=O)c4ccccc34)CCOCC2)cc1 ZINC000072324968 558861914 /nfs/dbraw/zinc/86/19/14/558861914.db2.gz CQEBAYOPTLTORU-UHFFFAOYSA-N 0 0 406.482 3.025 50 0 biogenic HGAARN CCOc1ccc(NC(=O)COC(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1OCC ZINC000022137923 558862181 /nfs/dbraw/zinc/86/21/81/558862181.db2.gz DTDYACMMUVGWLE-UHFFFAOYSA-N 0 0 418.446 3.011 50 0 HGAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2nccs2)CC1 ZINC000023009351 558862929 /nfs/dbraw/zinc/86/29/29/558862929.db2.gz HJYPLWGCGMPXIX-UHFFFAOYSA-N 0 0 416.510 3.353 50 0 HGAARN Cc1ccc(C(=O)N[C@@H](C(=O)NCCc2cnn(-c3ccccc3)c2)C(C)C)cc1 ZINC000011147566 558867297 /nfs/dbraw/zinc/86/72/97/558867297.db2.gz OKDVNSCDQNSJBX-JOCHJYFZSA-N 0 0 404.514 3.294 50 0 HGAARN CCN(CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1cccc(C)c1 ZINC000033077333 558868636 /nfs/dbraw/zinc/86/86/36/558868636.db2.gz YFLDFKIHHRAUFF-UHFFFAOYSA-N 0 0 415.559 3.099 50 0 HGAARN COC(=O)c1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)ccc1Cl ZINC000004656046 558871304 /nfs/dbraw/zinc/87/13/04/558871304.db2.gz GWWWTPZNUQZKQW-UHFFFAOYSA-N 0 0 402.863 3.438 50 0 HGAARN CN(Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)Cc1ccccn1 ZINC000055119062 558873093 /nfs/dbraw/zinc/87/30/93/558873093.db2.gz NVJMYWIGEYDPOG-UHFFFAOYSA-N 0 0 403.939 3.422 50 0 HGAARN CSCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055183344 558875380 /nfs/dbraw/zinc/87/53/80/558875380.db2.gz CEYWQMNLXJBOQH-KRWDZBQOSA-N 0 0 401.498 3.181 50 0 HGAARN COc1ccc(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1OC ZINC000019359359 558876154 /nfs/dbraw/zinc/87/61/54/558876154.db2.gz IBSJRVSHCMRAKF-UHFFFAOYSA-N 0 0 416.518 3.047 50 0 biogenic HGAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc1 ZINC000004668433 558878451 /nfs/dbraw/zinc/87/84/51/558878451.db2.gz CHTBODUEMUDOKO-IIBYNOLFSA-N 0 0 416.543 3.482 50 0 HGAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000004668434 558878490 /nfs/dbraw/zinc/87/84/90/558878490.db2.gz CHTBODUEMUDOKO-HRAATJIYSA-N 0 0 416.543 3.482 50 0 HGAARN C[C@@H]1CN([C@H](CNC(=O)COc2ccccc2)c2c(F)cccc2Cl)CCO1 ZINC000060453602 558879027 /nfs/dbraw/zinc/87/90/27/558879027.db2.gz WMXNRNMQQNNKKF-DNVCBOLYSA-N 0 0 406.885 3.436 50 0 HGAARN CCc1ccccc1NC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000033122612 558879352 /nfs/dbraw/zinc/87/93/52/558879352.db2.gz JSOJDVHAYYYFPY-UHFFFAOYSA-N 0 0 417.531 3.232 50 0 HGAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000033122589 558879373 /nfs/dbraw/zinc/87/93/73/558879373.db2.gz HJFXRRRHBXBKSV-UHFFFAOYSA-N 0 0 417.531 3.287 50 0 HGAARN CSc1ccc(CN(C(=O)c2cnc(N3CCN(C)CC3)nc2C)C2CC2)cc1 ZINC000055359396 558880145 /nfs/dbraw/zinc/88/01/45/558880145.db2.gz VGDZYVPRNSCMNX-UHFFFAOYSA-N 0 0 411.575 3.064 50 0 HGAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1cc(F)ccc1F ZINC000033124706 558880459 /nfs/dbraw/zinc/88/04/59/558880459.db2.gz HJEKLMLZJDJIJQ-QGZVFWFLSA-N 0 0 403.360 3.446 50 0 HGAARN CCOCCCNC(=O)[C@H](C)Sc1ccc(=O)n(-c2ccc(C)c(Cl)c2)n1 ZINC000033128209 558881954 /nfs/dbraw/zinc/88/19/54/558881954.db2.gz WQDXINGCESMGFJ-AWEZNQCLSA-N 0 0 409.939 3.218 50 0 HGAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1OC ZINC000033125201 558883267 /nfs/dbraw/zinc/88/32/67/558883267.db2.gz OTQCBIBRZGMXLH-INIZCTEOSA-N 0 0 423.469 3.273 50 0 HGAARN CCOC(=O)[C@H](C)NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000033125831 558883595 /nfs/dbraw/zinc/88/35/95/558883595.db2.gz XDYGJGQQXACXPT-AWEZNQCLSA-N 0 0 424.929 3.225 50 0 HGAARN CCOC(=O)[C@@H](C)NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000033125829 558883613 /nfs/dbraw/zinc/88/36/13/558883613.db2.gz XDYGJGQQXACXPT-CQSZACIVSA-N 0 0 424.929 3.225 50 0 HGAARN Cc1ccc(Cl)cc1-n1nc(O[C@@H](C)C(=O)NCc2ccccc2F)ccc1=O ZINC000033125713 558883628 /nfs/dbraw/zinc/88/36/28/558883628.db2.gz WDRYDXVDBGYIPS-AWEZNQCLSA-N 0 0 415.852 3.417 50 0 HGAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1nc2ccccc2s1 ZINC000033047897 558883643 /nfs/dbraw/zinc/88/36/43/558883643.db2.gz RNZHMYCVILRQKO-UHFFFAOYSA-N 0 0 405.501 3.132 50 0 HGAARN CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12 ZINC000004624201 558887748 /nfs/dbraw/zinc/88/77/48/558887748.db2.gz ULBGJCUPHXZGLV-UHFFFAOYSA-N 0 0 405.498 3.051 50 0 HGAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000033139828 558891541 /nfs/dbraw/zinc/89/15/41/558891541.db2.gz GDJVLHJVTAKXLG-UHFFFAOYSA-N 0 0 406.534 3.460 50 0 HGAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000033139818 558891634 /nfs/dbraw/zinc/89/16/34/558891634.db2.gz RBIBUABDJPIUAW-UHFFFAOYSA-N 0 0 412.925 3.497 50 0 HGAARN O=C(Nc1ccc(CN2CCOC2=O)cc1)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000057984504 558892291 /nfs/dbraw/zinc/89/22/91/558892291.db2.gz SBRQTXDTDIWARW-FQEVSTJZSA-N 0 0 422.485 3.124 50 0 HGAARN O=C(Nc1ccc(N2CCCC2)nc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000057995182 558893576 /nfs/dbraw/zinc/89/35/76/558893576.db2.gz MLAKIJDDSJFJJM-UHFFFAOYSA-N 0 0 420.439 3.450 50 0 HGAARN CS(=O)(=O)c1ccc(NC(=O)CN2CCC(CCc3ccccc3)CC2)cc1 ZINC000011155967 558894173 /nfs/dbraw/zinc/89/41/73/558894173.db2.gz DTZNKCKVVOKLRH-UHFFFAOYSA-N 0 0 400.544 3.373 50 0 HGAARN CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000058004262 558894240 /nfs/dbraw/zinc/89/42/40/558894240.db2.gz SIESYARRZUPILH-AVRDEDQJSA-N 0 0 406.511 3.112 50 0 HGAARN CCn1ncc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)cc21 ZINC000058005288 558894391 /nfs/dbraw/zinc/89/43/91/558894391.db2.gz XKGVMXUYUJEAOH-UHFFFAOYSA-N 0 0 412.393 3.358 50 0 HGAARN CC[C@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl ZINC000004686310 558895587 /nfs/dbraw/zinc/89/55/87/558895587.db2.gz STJMTRLICBDADG-JTQLQIEISA-N 0 0 404.927 3.197 50 0 HGAARN 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/nfs/dbraw/zinc/24/61/26/559246126.db2.gz UOUUYNYMJHABGN-UHFFFAOYSA-N 0 0 416.890 3.062 50 0 HGAARN CCOc1ccc(NC(=O)C2=CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000005108029 559246277 /nfs/dbraw/zinc/24/62/77/559246277.db2.gz ZNZPVYJDFKRLDK-UHFFFAOYSA-N 0 0 404.463 3.184 50 0 HGAARN CC[C@@H](C(=O)NCc1ccccc1OC)n1nc(C)n2c3ccsc3cc2c1=O ZINC000005108471 559246414 /nfs/dbraw/zinc/24/64/14/559246414.db2.gz SCGFIRCTGLSVMU-HNNXBMFYSA-N 0 0 410.499 3.295 50 0 HGAARN CC[C@H](C(=O)NCc1ccccc1OC)n1nc(C)n2c3ccsc3cc2c1=O ZINC000005108473 559246432 /nfs/dbraw/zinc/24/64/32/559246432.db2.gz SCGFIRCTGLSVMU-OAHLLOKOSA-N 0 0 410.499 3.295 50 0 HGAARN COc1cc(OC)cc(C(=O)OCCCOC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000005109106 559246776 /nfs/dbraw/zinc/24/67/76/559246776.db2.gz NHVJHVQVHBJWMJ-UHFFFAOYSA-N 0 0 404.415 3.125 50 0 HGAARN CCc1nn(CC(=O)N[C@@H](CC)Cc2ccccc2)c(=O)c2cc3sccc3n21 ZINC000005108982 559246788 /nfs/dbraw/zinc/24/67/88/559246788.db2.gz LXCHYCPGKQJEEB-INIZCTEOSA-N 0 0 408.527 3.411 50 0 HGAARN 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CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(OC)c3)no2)c1=O ZINC000038652639 559258213 /nfs/dbraw/zinc/25/82/13/559258213.db2.gz UXMSPUYYFKKHBC-UHFFFAOYSA-N 0 0 420.469 3.460 50 0 HGAARN Fc1ccc(CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c(Cl)c1 ZINC000011760149 559258275 /nfs/dbraw/zinc/25/82/75/559258275.db2.gz UVPFSVWZYVGTML-OAHLLOKOSA-N 0 0 412.918 3.379 50 0 HGAARN COc1ccc(Cl)cc1CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000011765337 559258769 /nfs/dbraw/zinc/25/87/69/559258769.db2.gz ZFHOZJFQXGOUGV-MRXNPFEDSA-N 0 0 424.954 3.248 50 0 HGAARN Cc1ccccc1-c1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000011785038 559259281 /nfs/dbraw/zinc/25/92/81/559259281.db2.gz TZWVRPMXKZNAFC-MRXNPFEDSA-N 0 0 403.442 3.180 50 0 HGAARN O=C(COc1ccc(Br)cc1F)Nc1cccc(C(=O)NC2CC2)c1 ZINC000011867874 559264540 /nfs/dbraw/zinc/26/45/40/559264540.db2.gz RGQYMRIMUSUWOS-UHFFFAOYSA-N 0 0 407.239 3.498 50 0 HGAARN C[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(c1ccccc1)c1ccccc1 ZINC000046579597 559264796 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COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000011990554 559269961 /nfs/dbraw/zinc/26/99/61/559269961.db2.gz OSQGUHUMMJUZNT-KRWDZBQOSA-N 0 0 409.438 3.143 50 0 HGAARN COc1ccc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)cc1Cl ZINC000011997080 559270206 /nfs/dbraw/zinc/27/02/06/559270206.db2.gz BASOEFRBIOQBGA-ZDUSSCGKSA-N 0 0 411.911 3.280 50 0 HGAARN CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4nccn4C)csc3C2)nc1 ZINC000426538091 559274625 /nfs/dbraw/zinc/27/46/25/559274625.db2.gz LTMRJCYZNVJBCX-UHFFFAOYSA-N 0 0 409.559 3.270 50 0 HGAARN CCCCN1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OC)cc3OC)[C@@H]2C1=O ZINC000136231370 559276802 /nfs/dbraw/zinc/27/68/02/559276802.db2.gz IXQNZHPLCJRLSM-PCCBWWKXSA-N 0 0 410.470 3.350 50 0 HGAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000136335335 559276891 /nfs/dbraw/zinc/27/68/91/559276891.db2.gz ZWKGDCTXNBEQDU-XUVXKRRUSA-N 0 0 411.889 3.193 50 0 HGAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1(n2cnnn2)CCCCC1 ZINC000252483282 559277357 /nfs/dbraw/zinc/27/73/57/559277357.db2.gz DYJIRYBWWCHXNY-HXUWFJFHSA-N 0 0 415.501 3.309 50 0 HGAARN CC(C)[C@@H](NC(=O)CCNC(=O)c1cnccn1)c1nc2ccccc2n1C(C)C ZINC000252538809 559278368 /nfs/dbraw/zinc/27/83/68/559278368.db2.gz NIOHEHSKCOACLO-HXUWFJFHSA-N 0 0 408.506 3.041 50 0 HGAARN COc1ccc(C)cc1NC(=O)CSc1nnc2ccc(-c3cccnc3)nn21 ZINC000005168463 559287168 /nfs/dbraw/zinc/28/71/68/559287168.db2.gz ZBWSPIRSUBOLJG-UHFFFAOYSA-N 0 0 406.471 3.234 50 0 HGAARN COc1ccc(N2C[C@H](NC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 ZINC000005191175 559291459 /nfs/dbraw/zinc/29/14/59/559291459.db2.gz GIBPBJKOXNLXIG-CQSZACIVSA-N 0 0 404.264 3.385 50 0 HGAARN CCOc1ccc(N2C[C@H](NC(=O)c3cccc(Br)c3)CC2=O)cc1 ZINC000005195880 559291806 /nfs/dbraw/zinc/29/18/06/559291806.db2.gz PTMFKUHLBTVSEK-OAHLLOKOSA-N 0 0 403.276 3.383 50 0 HGAARN COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3N[C@@H]2c2ccccc2)s1 ZINC000061717617 559292508 /nfs/dbraw/zinc/29/25/08/559292508.db2.gz AHNMLPJQDFECPP-IBGZPJMESA-N 0 0 423.498 3.280 50 0 HGAARN COc1cccc(N2CCN(C(=O)Cc3c(C)c4ccc(O)c(C)c4oc3=O)CC2)c1 ZINC000061717486 559292689 /nfs/dbraw/zinc/29/26/89/559292689.db2.gz SVKPJWBRTMPDSO-UHFFFAOYSA-N 0 0 422.481 3.015 50 0 HGAARN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)c(O)c(OC)c2)NC(=O)N1 ZINC000000647113 560178549 /nfs/dbraw/zinc/17/85/49/560178549.db2.gz ACXYAIZBAYFXGU-CQSZACIVSA-N 0 0 413.268 3.135 50 0 biogenic,in-vitro HGAARN O=C(OCCCc1ccncc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000005200894 560537781 /nfs/dbraw/zinc/53/77/81/560537781.db2.gz VGUVTETXPIBPHO-UHFFFAOYSA-N 0 0 408.907 3.309 50 0 HGAARN Cc1cc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(Cl)c1 ZINC000005204364 560538552 /nfs/dbraw/zinc/53/85/52/560538552.db2.gz UTDRABLTAHMZFU-CQSZACIVSA-N 0 0 404.850 3.080 50 0 HGAARN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4nc(C)cc(C)n4)C3)c2c1 ZINC000079478530 560541763 /nfs/dbraw/zinc/54/17/63/560541763.db2.gz HPSKZZIRZLXWML-SFHVURJKSA-N 0 0 407.518 3.159 50 0 HGAARN CCOC(=O)[C@H](CC)Sc1nnc2c3cnn(-c4ccc(F)cc4)c3ncn12 ZINC000005215871 560543366 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Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 ZINC000005274293 560561326 /nfs/dbraw/zinc/56/13/26/560561326.db2.gz WRGCHHRCWNKDQM-KRWDZBQOSA-N 0 0 415.497 3.125 50 0 HGAARN C[C@@H]1CCN(C(=O)COC(=O)c2ccccc2NCCO)c2ccccc2S1 ZINC000005278067 560561706 /nfs/dbraw/zinc/56/17/06/560561706.db2.gz YMOPYWQVZJZISH-OAHLLOKOSA-N 0 0 400.500 3.165 50 0 HGAARN Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3NCCO)n2)cc1 ZINC000005278107 560561746 /nfs/dbraw/zinc/56/17/46/560561746.db2.gz LUMZWBCGGRDBKM-UHFFFAOYSA-N 0 0 411.483 3.318 50 0 HGAARN COc1ccccc1C(=O)OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1 ZINC000005296119 560562297 /nfs/dbraw/zinc/56/22/97/560562297.db2.gz LHRMXHXPHRHYDS-UHFFFAOYSA-N 0 0 414.417 3.465 50 0 HGAARN CCc1nn2c(nc(COC(=O)c3c4c(nc5ccccc53)CCC4)cc2=O)s1 ZINC000005297820 560562431 /nfs/dbraw/zinc/56/24/31/560562431.db2.gz KXBUFCJJFWQDCT-UHFFFAOYSA-N 0 0 406.467 3.107 50 0 HGAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(C)Cc2ccc(C)cc2C)c1C ZINC000005313429 560564283 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Cc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc1F ZINC000049399231 568447396 /nfs/dbraw/zinc/44/73/96/568447396.db2.gz ZSQGOIXUEZYWHL-UHFFFAOYSA-N 0 0 411.824 3.298 50 0 HGAARN O=S(=O)(c1cccn2cnnc12)N(Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000049404911 568448588 /nfs/dbraw/zinc/44/85/88/568448588.db2.gz FYIIGPMZBPDIIU-UHFFFAOYSA-N 0 0 400.410 3.403 50 0 HGAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)cc1 ZINC000049405936 568448806 /nfs/dbraw/zinc/44/88/06/568448806.db2.gz IECZCUTXIRPGFZ-UHFFFAOYSA-N 0 0 423.904 3.264 50 0 HGAARN Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4F)CC3)nn2)c1 ZINC000049406397 568448897 /nfs/dbraw/zinc/44/88/97/568448897.db2.gz CGOBHDKBSJQCDL-UHFFFAOYSA-N 0 0 421.476 3.058 50 0 HGAARN Cc1cc(C)cc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)c1 ZINC000049406132 568448922 /nfs/dbraw/zinc/44/89/22/568448922.db2.gz XTVDIJRFVPIZQB-UHFFFAOYSA-N 0 0 421.476 3.058 50 0 HGAARN Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4ccccc4F)c(=O)n32)c1 ZINC000049410692 568450059 /nfs/dbraw/zinc/45/00/59/568450059.db2.gz CNXWEIMZCKSIBG-UHFFFAOYSA-N 0 0 420.448 3.338 50 0 HGAARN Cc1cccc(NC(=O)CN2CN(c3ccccc3)c3ncccc3S2(=O)=O)c1 ZINC000049411384 568450123 /nfs/dbraw/zinc/45/01/23/568450123.db2.gz AMGVVLQLZQASIA-UHFFFAOYSA-N 0 0 408.483 3.129 50 0 HGAARN COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(=O)Nc4c3cnn4C)o2)c1 ZINC000049546564 568451467 /nfs/dbraw/zinc/45/14/67/568451467.db2.gz HIPZKIULLPOSOZ-AWEZNQCLSA-N 0 0 409.398 3.377 50 0 HGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000049547846 568451593 /nfs/dbraw/zinc/45/15/93/568451593.db2.gz SBNBWACIHJAROP-UHFFFAOYSA-N 0 0 414.259 3.320 50 0 HGAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000049548559 568451711 /nfs/dbraw/zinc/45/17/11/568451711.db2.gz XPQZAWUUQPVFNB-QGZVFWFLSA-N 0 0 424.478 3.292 50 0 HGAARN COc1ccc(N2C[C@@H](C(=O)Nc3nnc(COc4ccccc4)s3)CC2=O)cc1 ZINC000049551029 568452096 /nfs/dbraw/zinc/45/20/96/568452096.db2.gz SAHPNTJPJQEDCB-AWEZNQCLSA-N 0 0 424.482 3.117 50 0 HGAARN O=C(Cc1ccc(NC(=O)c2cncc(Br)c2)cc1)NCC(F)(F)F ZINC000049523953 568452387 /nfs/dbraw/zinc/45/23/87/568452387.db2.gz JKNQUVLLUWNFGH-UHFFFAOYSA-N 0 0 416.197 3.317 50 0 HGAARN CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000049611721 568452587 /nfs/dbraw/zinc/45/25/87/568452587.db2.gz WNSKEUMZFLGZSH-UHFFFAOYSA-N 0 0 419.529 3.374 50 0 HGAARN Cc1cc(=O)oc2cc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)ccc12 ZINC000049833603 568453580 /nfs/dbraw/zinc/45/35/80/568453580.db2.gz REUMCBVRSSUBOM-UHFFFAOYSA-N 0 0 407.401 3.358 50 0 HGAARN COc1cccc(-c2ccc(SCC(=O)NCc3ccc4c(c3)OCO4)nn2)c1 ZINC000005108066 568454077 /nfs/dbraw/zinc/45/40/77/568454077.db2.gz DQRYVJWDDWICJQ-UHFFFAOYSA-N 0 0 409.467 3.289 50 0 HGAARN O=C(CNS(=O)(=O)/C=C/c1ccccc1)OCc1csc(-c2ccccc2)n1 ZINC000005905743 568454225 /nfs/dbraw/zinc/45/42/25/568454225.db2.gz BSPFZEWTXCUULZ-VAWYXSNFSA-N 0 0 414.508 3.444 50 0 HGAARN O=C(CCc1c[nH]c2ccccc12)NCCNC(=O)CCc1c[nH]c2ccccc12 ZINC000012296361 568462707 /nfs/dbraw/zinc/46/27/07/568462707.db2.gz WMEMGRVMDKPQMM-UHFFFAOYSA-N 0 0 402.498 3.447 50 0 biogenic HGAARN COc1cccc(NC(=O)CNC(=O)c2ccc3nc(-n4cccc4)sc3c2)c1 ZINC000012322506 568471339 /nfs/dbraw/zinc/47/13/39/568471339.db2.gz OJQFFFDZUBYGSY-UHFFFAOYSA-N 0 0 406.467 3.464 50 0 HGAARN O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2cccc3[nH]ccc32)N1Cc1ccncc1 ZINC000012324394 568471505 /nfs/dbraw/zinc/47/15/05/568471505.db2.gz HZAFWFNMXRZYHZ-JTHBVZDNSA-N 0 0 419.506 3.412 50 0 HGAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000791939 568480209 /nfs/dbraw/zinc/48/02/09/568480209.db2.gz KSWDYMWYMUABPE-CYBMUJFWSA-N 0 0 422.890 3.108 50 0 HGAARN Clc1ccc(CN2CCN(Cn3nnc(-c4ccccc4Cl)n3)CC2)s1 ZINC000022357515 568484889 /nfs/dbraw/zinc/48/48/89/568484889.db2.gz KNMPNIUYVHYMLL-UHFFFAOYSA-N 0 0 409.346 3.484 50 0 HGAARN Cc1ccn2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc2c1 ZINC000008136298 568491515 /nfs/dbraw/zinc/49/15/15/568491515.db2.gz RCRCMCZHWORZEE-UHFFFAOYSA-N 0 0 412.515 3.460 50 0 HGAARN COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)N[C@H]2CCSC2=O)cc1 ZINC000604405592 568492660 /nfs/dbraw/zinc/49/26/60/568492660.db2.gz RJYZYDUTHZUOOU-HNNXBMFYSA-N 0 0 413.451 3.061 50 0 biogenic HGAARN COc1ccc(OC)c(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 ZINC000000821254 568498305 /nfs/dbraw/zinc/49/83/05/568498305.db2.gz VJUGGUJQLIGFOG-UHFFFAOYSA-N 0 0 412.895 3.070 50 0 HGAARN O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000008380900 568498575 /nfs/dbraw/zinc/49/85/75/568498575.db2.gz WKVVCQCJBYKYNG-XNTDXEJSSA-N 0 0 420.531 3.063 50 0 HGAARN CCOC(=O)c1cc(NC(=O)Cc2ccc(NC(C)=O)cc2)cc(C(=O)OCC)c1 ZINC000022904508 568500331 /nfs/dbraw/zinc/50/03/31/568500331.db2.gz VOZDUDSOEUXLCP-UHFFFAOYSA-N 0 0 412.442 3.180 50 0 HGAARN O=C(NCc1ccc(F)cc1)c1nc(Cn2c3ccccc3nc2C(F)F)no1 ZINC000012360431 568509440 /nfs/dbraw/zinc/50/94/40/568509440.db2.gz ZHNBYTGRNLKLHQ-UHFFFAOYSA-N 0 0 401.348 3.474 50 0 HGAARN O=C(c1cccc(-c2noc(-c3ccc(Br)o3)n2)c1)N1CCOCC1 ZINC000032996634 568510672 /nfs/dbraw/zinc/51/06/72/568510672.db2.gz ZXKHSZUAICIDSL-UHFFFAOYSA-N 0 0 404.220 3.232 50 0 HGAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000033139817 568511354 /nfs/dbraw/zinc/51/13/54/568511354.db2.gz PPKSTVQGHNKHHJ-UHFFFAOYSA-N 0 0 406.534 3.460 50 0 HGAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)c4ccco4)CC3)s2)cc1 ZINC000033113957 568511607 /nfs/dbraw/zinc/51/16/07/568511607.db2.gz NAFMTYVCIKVTGW-UHFFFAOYSA-N 0 0 412.471 3.412 50 0 HGAARN COc1ccccc1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263918 568512247 /nfs/dbraw/zinc/51/22/47/568512247.db2.gz NPLHKBBMCPQWSV-UHFFFAOYSA-N 0 0 402.350 3.441 50 0 HGAARN C[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4F)ccc3n2)CC1 ZINC000033260643 568512776 /nfs/dbraw/zinc/51/27/76/568512776.db2.gz ZBRAGIKNFNPHPQ-UHFFFAOYSA-N 0 0 408.433 3.076 50 0 HGAARN Cc1ccccc1C(=O)N1CCC[C@@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310641 568514196 /nfs/dbraw/zinc/51/41/96/568514196.db2.gz BZPKVOYRPNQXJQ-HXUWFJFHSA-N 0 0 408.498 3.151 50 0 HGAARN CC(C)C[C@H](C(=O)NCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O ZINC000223215751 568541305 /nfs/dbraw/zinc/54/13/05/568541305.db2.gz FWSSHHPOGATTOW-OAQYLSRUSA-N 0 0 404.514 3.303 50 0 HGAARN COc1ccc(CNC(=O)NC[C@](O)(c2ccsc2)c2ccco2)cc1OC ZINC000390827155 568591433 /nfs/dbraw/zinc/59/14/33/568591433.db2.gz FGASGEGEAOGEGE-FQEVSTJZSA-N 0 0 402.472 3.094 50 0 HGAARN COC1CCN(c2ccc(C(=O)N3CC(N4CCc5sccc5C4)C3)cc2)CC1 ZINC000390828054 568591602 /nfs/dbraw/zinc/59/16/02/568591602.db2.gz OATPTEPEPCZPSL-UHFFFAOYSA-N 0 0 411.571 3.246 50 0 HGAARN O=C(CCn1cnc2ccccc2c1=O)NCCCCCc1nc2ccccc2[nH]1 ZINC000094993235 568593933 /nfs/dbraw/zinc/59/39/33/568593933.db2.gz LOHMVYJVMBFXEB-UHFFFAOYSA-N 0 0 403.486 3.192 50 0 HGAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000095367623 568602223 /nfs/dbraw/zinc/60/22/23/568602223.db2.gz HRYFSWFUOHJRKH-UHFFFAOYSA-N 0 0 411.259 3.386 50 0 HGAARN CCc1ccc([C@H]2CCCCN2S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)o1 ZINC000095402897 568605391 /nfs/dbraw/zinc/60/53/91/568605391.db2.gz JIHIMNLBGRKMIL-QGZVFWFLSA-N 0 0 411.545 3.470 50 0 HGAARN NC(=O)Nc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1 ZINC000095402759 568605458 /nfs/dbraw/zinc/60/54/58/568605458.db2.gz QDZYHIXYEROPMU-KRWDZBQOSA-N 0 0 423.300 3.496 50 0 HGAARN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)NCc3cccs3)cc2)CC1 ZINC000020414759 568605747 /nfs/dbraw/zinc/60/57/47/568605747.db2.gz NAOBIRDYNNWCID-UHFFFAOYSA-N 0 0 423.538 3.123 50 0 HGAARN O=C(C[C@@H]1CCS(=O)(=O)C1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000095431302 568609144 /nfs/dbraw/zinc/60/91/44/568609144.db2.gz XSPCCGMKUQQEIL-HNNXBMFYSA-N 0 0 409.552 3.218 50 0 HGAARN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 ZINC000095444725 568611382 /nfs/dbraw/zinc/61/13/82/568611382.db2.gz MVIWNPCBGXDBEP-CVEARBPZSA-N 0 0 409.527 3.116 50 0 HGAARN CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000020486770 568613471 /nfs/dbraw/zinc/61/34/71/568613471.db2.gz UQKWGWLLFPMMIP-OUKQBFOZSA-N 0 0 414.512 3.011 50 0 HGAARN O=S(=O)(CC[C@@H]1CCCO1)NC1(c2nc(-c3ccsc3)no2)CCCCC1 ZINC000095449626 568613890 /nfs/dbraw/zinc/61/38/90/568613890.db2.gz TYNNFMYBZUDUDO-HNNXBMFYSA-N 0 0 411.549 3.446 50 0 HGAARN O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1C(F)(F)F ZINC000020494461 568615649 /nfs/dbraw/zinc/61/56/49/568615649.db2.gz VJUZXZKEHGSFGT-IBGZPJMESA-N 0 0 417.431 3.155 50 0 HGAARN CC(C)(C)c1noc(CCC(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 ZINC000040090346 568615720 /nfs/dbraw/zinc/61/57/20/568615720.db2.gz WDEALMDDQCQBEU-UHFFFAOYSA-N 0 0 410.474 3.031 50 0 HGAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000095455872 568617004 /nfs/dbraw/zinc/61/70/04/568617004.db2.gz LCIMDQYPDFANBO-UAYMWHCUSA-N 0 0 414.521 3.183 50 0 HGAARN CCOC(=O)c1cc2cc(NC(=O)Cn3ncc4ccccc4c3=O)ccc2s1 ZINC000040082404 568618539 /nfs/dbraw/zinc/61/85/39/568618539.db2.gz CRUJKHCXIGDJBG-UHFFFAOYSA-N 0 0 407.451 3.427 50 0 HGAARN CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000040081846 568618686 /nfs/dbraw/zinc/61/86/86/568618686.db2.gz FVDUREGHNUPYOT-FQEVSTJZSA-N 0 0 424.526 3.110 50 0 HGAARN O=C(CCc1ccsc1)NC[C@H]1CSCCN1C(=O)CCc1ccsc1 ZINC000095458451 568619032 /nfs/dbraw/zinc/61/90/32/568619032.db2.gz STGVHJASDMIHRC-KRWDZBQOSA-N 0 0 408.614 3.435 50 0 HGAARN C[C@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000095458816 568619231 /nfs/dbraw/zinc/61/92/31/568619231.db2.gz WDHGYCBRDHLEEW-KBPBESRZSA-N 0 0 407.477 3.117 50 0 HGAARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000095472760 568628035 /nfs/dbraw/zinc/62/80/35/568628035.db2.gz AFLLBUOLTDZDOX-IBGZPJMESA-N 0 0 417.554 3.115 50 0 HGAARN COc1cccc2[nH]cc([C@@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccsc3)c21 ZINC000095472767 568628144 /nfs/dbraw/zinc/62/81/44/568628144.db2.gz KXIDZLWTMODOHD-CABCVRRESA-N 0 0 418.540 3.063 50 0 HGAARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000095472761 568628151 /nfs/dbraw/zinc/62/81/51/568628151.db2.gz AFLLBUOLTDZDOX-LJQANCHMSA-N 0 0 417.554 3.115 50 0 HGAARN COc1ccc(CCc2nnc(NC(=O)c3cc(-c4cccs4)nn3C)[nH]2)cc1 ZINC000095474055 568629064 /nfs/dbraw/zinc/62/90/64/568629064.db2.gz GNKHKNLPNZHCSL-UHFFFAOYSA-N 0 0 408.487 3.313 50 0 HGAARN COc1ccc(N2CCC[C@@H](C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2)nn1 ZINC000095474137 568629192 /nfs/dbraw/zinc/62/91/92/568629192.db2.gz NBSNZJQGUVUOAS-QRWLVFNGSA-N 0 0 408.506 3.091 50 0 HGAARN COc1ccc([C@H]2[C@@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C)cc1 ZINC000095478710 568631875 /nfs/dbraw/zinc/63/18/75/568631875.db2.gz VUJCPKWMZXXBQQ-VXKWHMMOSA-N 0 0 401.466 3.317 50 0 HGAARN COC(=O)C[C@H](c1ccnn1C)c1oc(CSc2ccc(F)cc2)cc(=O)c1O ZINC000095479240 568632136 /nfs/dbraw/zinc/63/21/36/568632136.db2.gz PMYDBSKIRNLIDM-OAHLLOKOSA-N 0 0 418.446 3.205 50 0 HGAARN COc1cc([C@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)ccc1OCC(N)=O ZINC000095481230 568633590 /nfs/dbraw/zinc/63/35/90/568633590.db2.gz WOCQXENNCHYMDS-CYBMUJFWSA-N 0 0 416.503 3.130 50 0 HGAARN O=C(NCc1nc(-c2cccs2)no1)c1ccccc1I ZINC000095482243 568634210 /nfs/dbraw/zinc/63/42/10/568634210.db2.gz ILLIFGYEQSQBBO-UHFFFAOYSA-N 0 0 411.224 3.333 50 0 HGAARN CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1OCC ZINC000225413310 568635492 /nfs/dbraw/zinc/63/54/92/568635492.db2.gz RRSUKHHGFJAGNY-TZMCWYRMSA-N 0 0 402.413 3.215 50 0 HGAARN Nc1cc(=O)nc(SCC(=O)Nc2cccc(Cl)c2)n1CCc1ccccc1 ZINC000095545637 568636013 /nfs/dbraw/zinc/63/60/13/568636013.db2.gz VCHOLFBDTNNTQV-UHFFFAOYSA-N 0 0 414.918 3.452 50 0 HGAARN CCCC(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000020614543 568637678 /nfs/dbraw/zinc/63/76/78/568637678.db2.gz LSJLEVOYDOGDAA-FQEVSTJZSA-N 0 0 413.493 3.334 50 0 HGAARN CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2C ZINC000020677393 568639788 /nfs/dbraw/zinc/63/97/88/568639788.db2.gz RETZUSNVBXDSFH-UHFFFAOYSA-N 0 0 423.517 3.253 50 0 HGAARN CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020677204 568639853 /nfs/dbraw/zinc/63/98/53/568639853.db2.gz BTNGLTYWYHQIEK-UHFFFAOYSA-N 0 0 419.529 3.281 50 0 HGAARN COc1ccc(Br)cc1CN1C(=O)CC[C@@]1(C)C(=O)NC1CCCC1 ZINC000020683707 568640379 /nfs/dbraw/zinc/64/03/79/568640379.db2.gz OIRBXUDFIJZSKP-IBGZPJMESA-N 0 0 409.324 3.398 50 0 HGAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccc2OC)c1 ZINC000020761076 568642247 /nfs/dbraw/zinc/64/22/47/568642247.db2.gz JYFUZLNSYALOBA-FQEVSTJZSA-N 0 0 406.442 3.385 50 0 biogenic HGAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 ZINC000020762122 568642704 /nfs/dbraw/zinc/64/27/04/568642704.db2.gz USHUQKBPTDIIBN-HXUWFJFHSA-N 0 0 420.425 3.105 50 0 biogenic HGAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000020763375 568642751 /nfs/dbraw/zinc/64/27/51/568642751.db2.gz YDBCGNDDHHQXLG-HXUWFJFHSA-N 0 0 420.425 3.105 50 0 biogenic HGAARN O=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)Nc1ccccc1Cl ZINC000020804413 568643721 /nfs/dbraw/zinc/64/37/21/568643721.db2.gz JBPZKKVZMTUIKC-UHFFFAOYSA-N 0 0 411.893 3.146 50 0 HGAARN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)ccc1O ZINC000225499408 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Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@]3(C)CCCO)c2c1C ZINC000095982866 568675730 /nfs/dbraw/zinc/67/57/30/568675730.db2.gz VKFMDIXCELVCPI-OAQYLSRUSA-N 0 0 404.580 3.272 50 0 HGAARN NC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCN(C(=O)c3cccs3)C1)CCCC2 ZINC000021172448 568676750 /nfs/dbraw/zinc/67/67/50/568676750.db2.gz WFTVXKSKBPXPBC-GFCCVEGCSA-N 0 0 417.556 3.278 50 0 HGAARN CC(C)N1C(=O)C[C@H](C(=O)NCCOCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000095989084 568677347 /nfs/dbraw/zinc/67/73/47/568677347.db2.gz DSQVQNAYYYVPBB-BLLLJJGKSA-N 0 0 424.822 3.472 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000095993087 568678055 /nfs/dbraw/zinc/67/80/55/568678055.db2.gz VGOTYXULMGCQAY-QGZVFWFLSA-N 0 0 405.458 3.290 50 0 HGAARN O=C([N-]C1(C(=O)Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000095997646 568679337 /nfs/dbraw/zinc/67/93/37/568679337.db2.gz KNXPMYWFCPFVIC-UHFFFAOYSA-N 0 0 405.420 3.338 50 0 HGAARN Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3ccc4c(c3)COCO4)no2)cn1 ZINC000096001844 568681347 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HGAARN CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cc(Br)cs2)CC1 ZINC000096120322 568699287 /nfs/dbraw/zinc/69/92/87/568699287.db2.gz LQQYERRCWNLENO-UHFFFAOYSA-N 0 0 402.358 3.461 50 0 HGAARN O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cc(Br)cs1 ZINC000096120513 568699435 /nfs/dbraw/zinc/69/94/35/568699435.db2.gz OPAISXJLPKNASC-UHFFFAOYSA-N 0 0 408.321 3.188 50 0 HGAARN COC1(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C2CC3CC(C2)CC1C3 ZINC000096123902 568700552 /nfs/dbraw/zinc/70/05/52/568700552.db2.gz OMSDRHCIEQVPEA-NHOGNMSQSA-N 0 0 409.592 3.143 50 0 HGAARN COCCn1c(C[C@@H]2CCN(C(=O)Nc3cc(F)cc(F)c3)C2)nc2cccnc21 ZINC000096125057 568701434 /nfs/dbraw/zinc/70/14/34/568701434.db2.gz ZMGCNWURZQYOKO-AWEZNQCLSA-N 0 0 415.444 3.452 50 0 HGAARN CCOC(=O)/C=C\c1ccc(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000096130091 568701803 /nfs/dbraw/zinc/70/18/03/568701803.db2.gz AGJASFDEULKOCS-YFHOEESVSA-N 0 0 411.458 3.282 50 0 HGAARN CC[C@@]1(c2ccc(NC(=O)/C=C\c3ccc4c(c3)OCO4)cc2)CCC(=O)NC1=O ZINC000096133863 568701921 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COc1ccc(Cl)cc1-n1cnc2cc(C(=O)NCc3cccnc3)ccc2c1=O ZINC000036366163 569152544 /nfs/dbraw/zinc/15/25/44/569152544.db2.gz KLRFQJCZWRKZSI-UHFFFAOYSA-N 0 0 420.856 3.373 50 0 HGAARN COc1ccc(C)cc1NC(=O)N(C)Cc1nc2cc(C(=O)N(C)C)ccc2n1C ZINC000065008441 569152903 /nfs/dbraw/zinc/15/29/03/569152903.db2.gz DDJRWWWJPPAAEU-UHFFFAOYSA-N 0 0 409.490 3.256 50 0 HGAARN CCOc1c(C(=O)NC)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C ZINC000036370106 569153875 /nfs/dbraw/zinc/15/38/75/569153875.db2.gz GWBFXXMXMZCCGU-UHFFFAOYSA-N 0 0 421.457 3.182 50 0 biogenic HGAARN CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C ZINC000036370123 569153883 /nfs/dbraw/zinc/15/38/83/569153883.db2.gz VYISXYJDZBQIME-UHFFFAOYSA-N 0 0 417.469 3.329 50 0 biogenic HGAARN CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)cc1 ZINC000065020954 569154231 /nfs/dbraw/zinc/15/42/31/569154231.db2.gz YSFNFHCJTDJBIX-UHFFFAOYSA-N 0 0 402.516 3.208 50 0 HGAARN COCCn1c(SCC(=O)NC(=O)c2cccs2)nnc1-c1cccc(C)c1 ZINC000006851403 569154652 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COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000036391783 569167543 /nfs/dbraw/zinc/16/75/43/569167543.db2.gz MNWHPVJBXHRGCH-GOSISDBHSA-N 0 0 408.832 3.290 50 0 HGAARN C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc(Br)c1 ZINC000036393426 569167979 /nfs/dbraw/zinc/16/79/79/569167979.db2.gz PPSUDSWFMNRRQY-ZDUSSCGKSA-N 0 0 403.276 3.442 50 0 HGAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(C)ccc2OC)C1=O ZINC000006881848 569168167 /nfs/dbraw/zinc/16/81/67/569168167.db2.gz DZEWBSHVJSOPOL-NRFANRHFSA-N 0 0 415.877 3.453 50 0 HGAARN Cc1nn(C)c2ncc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc12 ZINC000036395352 569168756 /nfs/dbraw/zinc/16/87/56/569168756.db2.gz NDASIGLRTVJLHP-UHFFFAOYSA-N 0 0 405.414 3.140 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C(C)(C)C)oc3=S)CC2)c(C)c1 ZINC000036395854 569168849 /nfs/dbraw/zinc/16/88/49/569168849.db2.gz XTSWAHPPPDGSEH-UHFFFAOYSA-N 0 0 424.592 3.084 50 0 HGAARN Cc1ccc(N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077194 569170278 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400.870 3.121 50 0 HGAARN COc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(C)c(C)c4)nn32)cc1F ZINC000169778578 569173643 /nfs/dbraw/zinc/17/36/43/569173643.db2.gz ULYOONUYWAICDZ-UHFFFAOYSA-N 0 0 405.433 3.486 50 0 HGAARN COc1ccc([C@H]2Cn3nnc(-c4noc(Cc5ccccc5OC)n4)c3CO2)cc1 ZINC000169780300 569174089 /nfs/dbraw/zinc/17/40/89/569174089.db2.gz RYHIYVWPHYMERH-LJQANCHMSA-N 0 0 419.441 3.208 50 0 HGAARN COc1cccc(-n2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3c2=O)c1 ZINC000006892612 569174434 /nfs/dbraw/zinc/17/44/34/569174434.db2.gz YQCRXWNGVKESMU-UHFFFAOYSA-N 0 0 413.433 3.351 50 0 HGAARN COc1ccc(OC)c(CNC(=O)c2sc(N3CCCC3=O)nc2C(C)C)c1 ZINC000065086450 569174538 /nfs/dbraw/zinc/17/45/38/569174538.db2.gz CJKLUHSWDSXLNL-UHFFFAOYSA-N 0 0 403.504 3.341 50 0 HGAARN C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)NC3CCCCCC3)cc2NC1=O ZINC000006893470 569174847 /nfs/dbraw/zinc/17/48/47/569174847.db2.gz NQLDILGBERUKEC-ZDUSSCGKSA-N 0 0 410.561 3.122 50 0 HGAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000006893481 569174895 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Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Nc4ccccc4F)CC3)C2=O)cc1 ZINC000017041269 569272292 /nfs/dbraw/zinc/27/22/92/569272292.db2.gz QCKRKSDKUTWJNK-UHFFFAOYSA-N 0 0 410.449 3.253 50 0 HGAARN Cc1cccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)c1 ZINC000017135489 569275266 /nfs/dbraw/zinc/27/52/66/569275266.db2.gz NMGVVCDPNBHVCJ-UHFFFAOYSA-N 0 0 423.542 3.348 50 0 HGAARN O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000017149969 569275681 /nfs/dbraw/zinc/27/56/81/569275681.db2.gz VKGMVKZULSBAFU-UHFFFAOYSA-N 0 0 421.840 3.037 50 0 HGAARN Cn1cc(C(=O)Nc2ccc(F)cc2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000017149044 569275753 /nfs/dbraw/zinc/27/57/53/569275753.db2.gz BMOLMWJGRDFBLJ-UHFFFAOYSA-N 0 0 412.808 3.062 50 0 HGAARN COc1ccc(-c2nnn(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1OC ZINC000000917796 569276831 /nfs/dbraw/zinc/27/68/31/569276831.db2.gz KHNRZTKQNCTYTO-UHFFFAOYSA-N 0 0 407.352 3.015 50 0 HGAARN COc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC ZINC000002875839 569278300 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O=C(Nc1ccccc1)NC1CCN(c2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000037525357 569304019 /nfs/dbraw/zinc/30/40/19/569304019.db2.gz XEZQBSFWDZDYCI-FQEVSTJZSA-N 0 0 422.529 3.386 50 0 HGAARN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000037525207 569304055 /nfs/dbraw/zinc/30/40/55/569304055.db2.gz UHTOCMFOJGATMK-UHFFFAOYSA-N 0 0 407.514 3.330 50 0 HGAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1nc2ccccc2o1 ZINC000007736658 569305048 /nfs/dbraw/zinc/30/50/48/569305048.db2.gz MCLJTRZNFOAFDG-UHFFFAOYSA-N 0 0 409.442 3.019 50 0 HGAARN CC(C)C(=O)N1CCN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC1 ZINC000037554798 569306312 /nfs/dbraw/zinc/30/63/12/569306312.db2.gz JRJHSKWAEXRRML-UHFFFAOYSA-N 0 0 406.515 3.311 50 0 HGAARN CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000007790153 569310725 /nfs/dbraw/zinc/31/07/25/569310725.db2.gz JLFCTEOVQZYUGX-UHFFFAOYSA-N 0 0 412.519 3.478 50 0 HGAARN O=C(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000007814256 569312678 /nfs/dbraw/zinc/31/26/78/569312678.db2.gz KDZJXGFIUOVUDI-ZDUSSCGKSA-N 0 0 419.938 3.480 50 0 HGAARN Cc1nc(-c2ccc(CNC(=O)CCc3c(C)nc4ncnn4c3C)s2)cs1 ZINC000007821433 569313019 /nfs/dbraw/zinc/31/30/19/569313019.db2.gz ANBDVTOOEXCKCU-UHFFFAOYSA-N 0 0 412.544 3.484 50 0 HGAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000007825610 569313138 /nfs/dbraw/zinc/31/31/38/569313138.db2.gz MHFQRYJJXXVBKA-GFCCVEGCSA-N 0 0 407.854 3.036 50 0 HGAARN CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000007842297 569314096 /nfs/dbraw/zinc/31/40/96/569314096.db2.gz AOLPLLRQOWKFLU-UHFFFAOYSA-N 0 0 422.934 3.276 50 0 HGAARN COc1cccc(N2c3c(sc(=O)n3C)[C@H](c3ccc4c(c3)OCO4)CC2=O)c1 ZINC000066089815 569314529 /nfs/dbraw/zinc/31/45/29/569314529.db2.gz IPYUNFLVZDXZDE-HNNXBMFYSA-N 0 0 410.451 3.384 50 0 HGAARN O=S(=O)(NCCc1cccnc1)c1ccc(Br)cc1Br ZINC000037718798 569314645 /nfs/dbraw/zinc/31/46/45/569314645.db2.gz HTAMSPJUTVVPDX-UHFFFAOYSA-N 0 0 420.126 3.128 50 0 HGAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCC1 ZINC000007858277 569314865 /nfs/dbraw/zinc/31/48/65/569314865.db2.gz RIEXPQGULBNAJK-WDEREUQCSA-N 0 0 417.289 3.461 50 0 HGAARN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCCCCC2)cc1Cl ZINC000007881283 569315146 /nfs/dbraw/zinc/31/51/46/569315146.db2.gz HXBQNHOABHPQNT-UHFFFAOYSA-N 0 0 402.944 3.152 50 0 HGAARN COc1cc(-c2nnc(SCC(=O)N3CCC[C@H](C)C3)o2)cc(OC)c1OC ZINC000002720415 569322414 /nfs/dbraw/zinc/32/24/14/569322414.db2.gz WHBQUZNGKYXOSA-LBPRGKRZSA-N 0 0 407.492 3.113 50 0 HGAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000002256444 569326449 /nfs/dbraw/zinc/32/64/49/569326449.db2.gz FTAJNCSEVZBKMY-GOSISDBHSA-N 0 0 404.488 3.307 50 0 HGAARN CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1cccc(Cl)c1)C(F)(F)F ZINC000002256995 569326517 /nfs/dbraw/zinc/32/65/17/569326517.db2.gz JAIMCKOJJYZFAX-MRXNPFEDSA-N 0 0 401.772 3.399 50 0 HGAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000007922824 569327287 /nfs/dbraw/zinc/32/72/87/569327287.db2.gz PERZDMXLFWQBTI-CYBMUJFWSA-N 0 0 410.923 3.398 50 0 HGAARN CN1C(=O)c2cccc(NCCCCCCN3C(=O)c4ccccc4C3=O)c2C1=O ZINC000002278722 569327941 /nfs/dbraw/zinc/32/79/41/569327941.db2.gz OKFGHRCWUGEFRV-UHFFFAOYSA-N 0 0 405.454 3.181 50 0 HGAARN COc1ccc(-n2cnc3c2ncnc3N2CCN(c3ccccc3F)CC2)cc1 ZINC000019926005 569357541 /nfs/dbraw/zinc/35/75/41/569357541.db2.gz KBLYSDQJUYCDJT-UHFFFAOYSA-N 0 0 404.449 3.290 50 0 HGAARN C[C@]12CC(=O)[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000034781676 569358003 /nfs/dbraw/zinc/35/80/03/569358003.db2.gz ZQDVAXPMAQYWLD-OKQNBDQFSA-N 0 0 404.503 3.221 50 0 biogenic HGAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000043735322 569358240 /nfs/dbraw/zinc/35/82/40/569358240.db2.gz LZQXNDIRDZVDCF-ULFGMLNVSA-N 0 0 404.898 3.308 50 0 HGAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000253392719 569365130 /nfs/dbraw/zinc/36/51/30/569365130.db2.gz DSXKAAWMPJVGPI-IERDGZPVSA-N 0 0 402.466 3.097 50 0 HGAARN COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 ZINC000253394503 569365203 /nfs/dbraw/zinc/36/52/03/569365203.db2.gz CNIVINMHFYMCQZ-INIZCTEOSA-N 0 0 402.447 3.225 50 0 HGAARN O=S(=O)(NC[C@@](O)(c1ccsc1)c1cccs1)c1cccc2nsnc21 ZINC000253400337 569365514 /nfs/dbraw/zinc/36/55/14/569365514.db2.gz LDUOXFWVWXTSLL-MRXNPFEDSA-N 0 0 423.566 3.029 50 0 HGAARN COc1ccc([C@@H](NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1 ZINC000253399006 569365595 /nfs/dbraw/zinc/36/55/95/569365595.db2.gz CNRAWVAFIMFTQF-FPOVZHCZSA-N 0 0 409.486 3.039 50 0 biogenic HGAARN COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1oc2ccccc2c(=O)c1O ZINC000253414411 569366973 /nfs/dbraw/zinc/36/69/73/569366973.db2.gz XKRVRVIQASRZJT-AWEZNQCLSA-N 0 0 414.410 3.219 50 0 biogenic HGAARN COc1c(NC(=O)c2cnn(-c3ccc(F)cc3F)c2)cc(Cl)cc1C(N)=O ZINC000253422967 569367974 /nfs/dbraw/zinc/36/79/74/569367974.db2.gz MYVVFYKEPBDHDM-UHFFFAOYSA-N 0 0 406.776 3.164 50 0 HGAARN CCOc1ccccc1[C@H]1CC(c2cc(OC)ccc2OC)=NN1S(C)(=O)=O ZINC000253426760 569368291 /nfs/dbraw/zinc/36/82/91/569368291.db2.gz IRLBRLWBEMNPJB-GOSISDBHSA-N 0 0 404.488 3.213 50 0 HGAARN CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1ccc(Cl)cc1)C(F)(F)F ZINC000002306175 569372437 /nfs/dbraw/zinc/37/24/37/569372437.db2.gz LAJXPDYRQBTCJZ-INIZCTEOSA-N 0 0 401.772 3.399 50 0 HGAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000002337003 569376127 /nfs/dbraw/zinc/37/61/27/569376127.db2.gz LBQLKJCVCZHZNJ-AZUAARDMSA-N 0 0 401.528 3.287 50 0 HGAARN COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ncc(C)s1)C(F)(F)F ZINC000002348313 569380544 /nfs/dbraw/zinc/38/05/44/569380544.db2.gz MBPOIUHGUCSIEF-AWEZNQCLSA-N 0 0 407.801 3.378 50 0 HGAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@](O)(c1ccsc1)c1ccco1 ZINC000253473429 569381484 /nfs/dbraw/zinc/38/14/84/569381484.db2.gz UWGKPOAOSGXSBX-IBGZPJMESA-N 0 0 404.875 3.294 50 0 HGAARN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCN(c2ccccc2F)CC1 ZINC000253473373 569381492 /nfs/dbraw/zinc/38/14/92/569381492.db2.gz ULHPOXRUMUOAIE-UHFFFAOYSA-N 0 0 419.884 3.394 50 0 HGAARN COc1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2cccs2)cc1Cl ZINC000253473855 569381497 /nfs/dbraw/zinc/38/14/97/569381497.db2.gz ZEPLHIBLJHKEAZ-KRWDZBQOSA-N 0 0 413.904 3.218 50 0 HGAARN COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1Cl ZINC000253473856 569381502 /nfs/dbraw/zinc/38/15/02/569381502.db2.gz ZEPLHIBLJHKEAZ-QGZVFWFLSA-N 0 0 413.904 3.218 50 0 HGAARN O=C(NC[C@](O)(c1ccoc1)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000253473447 569381545 /nfs/dbraw/zinc/38/15/45/569381545.db2.gz UXPRCMHOCIPZLL-SFHVURJKSA-N 0 0 408.838 3.124 50 0 HGAARN CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[nH]3)C[C@H]2C1 ZINC000253536202 569382964 /nfs/dbraw/zinc/38/29/64/569382964.db2.gz IVVMXJJKZGTCJD-OKILXGFUSA-N 0 0 410.474 3.380 50 0 HGAARN COc1ccc(Cc2nn3c(nnc3[C@@H]3COc4ccccc4O3)s2)cc1OC ZINC000002358623 569385600 /nfs/dbraw/zinc/38/56/00/569385600.db2.gz AXFAUDATVDEIMM-KRWDZBQOSA-N 0 0 410.455 3.306 50 0 HGAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253413946 569389014 /nfs/dbraw/zinc/38/90/14/569389014.db2.gz WBEQNYKPEUFIEX-QFIPXVFZSA-N 0 0 409.449 3.248 50 0 HGAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1N ZINC000002375657 569389343 /nfs/dbraw/zinc/38/93/43/569389343.db2.gz GVLOJPVOTDJRIR-UHFFFAOYSA-N 0 0 421.885 3.499 50 0 HGAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000002375965 569389345 /nfs/dbraw/zinc/38/93/45/569389345.db2.gz OMLYKVAXWAKXKB-DLBZAZTESA-N 0 0 407.557 3.348 50 0 HGAARN CCOC(=O)c1ccc(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000002386389 569392125 /nfs/dbraw/zinc/39/21/25/569392125.db2.gz SWOUURUIQHFBHU-UHFFFAOYSA-N 0 0 417.465 3.180 50 0 HGAARN COc1cc2c(cc1OC)CN(Cc1nc(=O)c3c4c(sc3[nH]1)CCCC4)CC2 ZINC000002431007 569399192 /nfs/dbraw/zinc/39/91/92/569399192.db2.gz XZBKDWLUWRGDLB-UHFFFAOYSA-N 0 0 411.527 3.439 50 0 HGAARN CCOc1ccc2nc(COC(=O)c3ccccc3OCC)c(C(C)=O)[n+]([O-])c2c1 ZINC000002450698 569403965 /nfs/dbraw/zinc/40/39/65/569403965.db2.gz XEIPZCAYAZVVHT-UHFFFAOYSA-N 0 0 410.426 3.225 50 0 HGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccc(Cl)cc3)CS[C@H]21 ZINC000012870491 569404283 /nfs/dbraw/zinc/40/42/83/569404283.db2.gz XXYSZSYKYJVDPL-VBKZILBWSA-N 0 0 418.902 3.243 50 0 biogenic HGAARN Cc1cccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000012893369 569404664 /nfs/dbraw/zinc/40/46/64/569404664.db2.gz NWFDRNNVKSCRHJ-FQEVSTJZSA-N 0 0 404.470 3.358 50 0 biogenic HGAARN C[C@H](Sc1ccccc1)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012936471 569405035 /nfs/dbraw/zinc/40/50/35/569405035.db2.gz OZSZFFWFLIZVQY-HOTGVXAUSA-N 0 0 411.527 3.390 50 0 HGAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000012939461 569405042 /nfs/dbraw/zinc/40/50/42/569405042.db2.gz WFPNUPSAOIYOTM-INIZCTEOSA-N 0 0 411.321 3.391 50 0 HGAARN Cc1ccccc1CCNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC000012981201 569405983 /nfs/dbraw/zinc/40/59/83/569405983.db2.gz HMNQZXITCAVJHE-UHFFFAOYSA-N 0 0 405.424 3.360 50 0 HGAARN O=C(COC(=O)CNC(=O)c1cccs1)Nc1c(Cl)cccc1C(F)(F)F ZINC000013005984 569406541 /nfs/dbraw/zinc/40/65/41/569406541.db2.gz ZEOBIXHTILFSAR-UHFFFAOYSA-N 0 0 420.796 3.332 50 0 HGAARN CCOc1ccccc1NC(=O)CN(CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013096348 569408956 /nfs/dbraw/zinc/40/89/56/569408956.db2.gz VGFWAYCNEJQPBV-UHFFFAOYSA-N 0 0 414.893 3.436 50 0 HGAARN CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000013097939 569409020 /nfs/dbraw/zinc/40/90/20/569409020.db2.gz XKIFGKKXUTXZIU-GFCCVEGCSA-N 0 0 400.422 3.495 50 0 HGAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(CCCO)nn32)cc1 ZINC000013123520 569409585 /nfs/dbraw/zinc/40/95/85/569409585.db2.gz OBAFGHPNKQGMRQ-NRFANRHFSA-N 0 0 419.485 3.139 50 0 HGAARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2OC)=C(C)Nc2nnnn21 ZINC000013125217 569409687 /nfs/dbraw/zinc/40/96/87/569409687.db2.gz XRADAPAZKRUCTG-IBGZPJMESA-N 0 0 406.446 3.008 50 0 HGAARN COC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000013141550 569409820 /nfs/dbraw/zinc/40/98/20/569409820.db2.gz AMDZGVMQZUOBKT-UHFFFAOYSA-N 0 0 415.401 3.489 50 0 HGAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000013296412 569410543 /nfs/dbraw/zinc/41/05/43/569410543.db2.gz YZMBRWTTZYSVOX-LLVKDONJSA-N 0 0 416.482 3.060 50 0 HGAARN CCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000013351949 569411191 /nfs/dbraw/zinc/41/11/91/569411191.db2.gz MBLGRGNJJJKWJB-UHFFFAOYSA-N 0 0 407.514 3.246 50 0 HGAARN C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)NCc2cccnc2)C[C@H](C)O1 ZINC000013361933 569411845 /nfs/dbraw/zinc/41/18/45/569411845.db2.gz OHHVJCSMHVJOFD-HOTGVXAUSA-N 0 0 423.542 3.047 50 0 HGAARN COc1ccc(F)cc1CN1CCN(C(=O)c2cc(-c3ccccc3OC)n[nH]2)CC1 ZINC000013366662 569412313 /nfs/dbraw/zinc/41/23/13/569412313.db2.gz FIDAYRUZCYOIAV-UHFFFAOYSA-N 0 0 424.476 3.191 50 0 HGAARN COc1cccc(-c2cc(C(=O)N3CCN(CCOc4ccc(C)cc4)CC3)[nH]n2)c1 ZINC000013366677 569412393 /nfs/dbraw/zinc/41/23/93/569412393.db2.gz OSTXKYAEBQNKEC-UHFFFAOYSA-N 0 0 420.513 3.231 50 0 HGAARN Cc1ccc(-c2csc(=S)n2CC(=O)NCC(=O)NCc2ccco2)cc1 ZINC000007952871 569413212 /nfs/dbraw/zinc/41/32/12/569413212.db2.gz YPDHPTXHYCKFHT-UHFFFAOYSA-N 0 0 401.513 3.280 50 0 HGAARN Cc1cncc(N(Cc2ncc[nH]2)C(=O)COc2ccccc2Br)c1 ZINC000328589934 569414835 /nfs/dbraw/zinc/41/48/35/569414835.db2.gz UTRCVHLEHVUEKR-UHFFFAOYSA-N 0 0 401.264 3.488 50 0 HGAARN COc1cc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)sc1Br ZINC000328591801 569415203 /nfs/dbraw/zinc/41/52/03/569415203.db2.gz NBOZPHHJQHNEHE-MRVPVSSYSA-N 0 0 401.248 3.276 50 0 HGAARN O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1n[nH]cc1Br ZINC000328594018 569415659 /nfs/dbraw/zinc/41/56/59/569415659.db2.gz JJABRCYJCHLKGO-UHFFFAOYSA-N 0 0 400.176 3.013 50 0 HGAARN CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1nnc2n1CCCCC2 ZINC000078733129 569420087 /nfs/dbraw/zinc/42/00/87/569420087.db2.gz ACZVECDTRDBJPF-YOEHRIQHSA-N 0 0 415.925 3.278 50 0 HGAARN COc1ccccc1[C@@H](C)NC(=O)Cn1cnc2cc(Br)ccc2c1=O ZINC000078808749 569420588 /nfs/dbraw/zinc/42/05/88/569420588.db2.gz RYTAJZYYYIEQBD-GFCCVEGCSA-N 0 0 416.275 3.045 50 0 HGAARN COc1ccc(CN2CC[C@@H](NC(=O)CSCc3cccc(Cl)c3)C2=O)cc1 ZINC000078813792 569420611 /nfs/dbraw/zinc/42/06/11/569420611.db2.gz IUVNAXFBDBCYEO-LJQANCHMSA-N 0 0 418.946 3.499 50 0 HGAARN C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000078825117 569420769 /nfs/dbraw/zinc/42/07/69/569420769.db2.gz FEZZLICWDVZVQH-INIZCTEOSA-N 0 0 410.493 3.394 50 0 HGAARN O=c1ccc2cc(S(=O)(=O)NCCc3nc4ccccc4n3C(F)F)ccc2o1 ZINC000079017735 569424015 /nfs/dbraw/zinc/42/40/15/569424015.db2.gz BTSSSXQXMNMRKQ-UHFFFAOYSA-N 0 0 419.409 3.059 50 0 HGAARN C[C@@H](Cc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000079023349 569424518 /nfs/dbraw/zinc/42/45/18/569424518.db2.gz ILPPILBAVASDKO-HNNXBMFYSA-N 0 0 419.547 3.373 50 0 HGAARN C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000079025265 569424776 /nfs/dbraw/zinc/42/47/76/569424776.db2.gz ZRNKRUIDIJTTNC-HKUYNNGSSA-N 0 0 417.509 3.356 50 0 HGAARN 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/nfs/dbraw/zinc/80/70/33/558807033.db2.gz UPTMYZDIMZHGAI-UHFFFAOYSA-N 0 0 413.528 3.043 50 0 HGAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCc2cccnc2)s1 ZINC000032987288 558807250 /nfs/dbraw/zinc/80/72/50/558807250.db2.gz NJZFUPORKDLIKA-UHFFFAOYSA-N 0 0 413.528 3.043 50 0 HGAARN C[C@H](NC(=O)COCc1nnc(C(=O)Nc2cccc(F)c2)s1)c1ccccc1 ZINC000032987711 558807615 /nfs/dbraw/zinc/80/76/15/558807615.db2.gz JTJRHTSPNBKGIO-ZDUSSCGKSA-N 0 0 414.462 3.324 50 0 HGAARN Cc1cccc(CNC(=O)COCc2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000032987715 558807649 /nfs/dbraw/zinc/80/76/49/558807649.db2.gz YICPXVZAPONWRJ-UHFFFAOYSA-N 0 0 414.462 3.071 50 0 HGAARN O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCC1=CCCCC1 ZINC000032987724 558807653 /nfs/dbraw/zinc/80/76/53/558807653.db2.gz SFJKWFKOLMFLKE-UHFFFAOYSA-N 0 0 418.494 3.453 50 0 HGAARN Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC000032987975 558808069 /nfs/dbraw/zinc/80/80/69/558808069.db2.gz NQKHHBFXVAALJZ-QUCCMNQESA-N 0 0 406.482 3.483 50 0 HGAARN CN(C1CCCCC1)S(=O)(=O)N1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000071890655 558808100 /nfs/dbraw/zinc/80/81/00/558808100.db2.gz KBTGLEOTGVCDHK-SFHVURJKSA-N 0 0 421.611 3.083 50 0 HGAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)NC(C)C)CC2=O)cc1 ZINC000016902446 558809074 /nfs/dbraw/zinc/80/90/74/558809074.db2.gz YUPULSZPCXBQNE-INIZCTEOSA-N 0 0 406.486 3.090 50 0 HGAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000032991032 558809126 /nfs/dbraw/zinc/80/91/26/558809126.db2.gz QDYMWKWAFKTQPU-KZULUSFZSA-N 0 0 423.494 3.115 50 0 HGAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4cccc(C)c4)cc3=O)s2)cc1 ZINC000032996098 558810271 /nfs/dbraw/zinc/81/02/71/558810271.db2.gz AMGGBSHFZLSNRE-UHFFFAOYSA-N 0 0 421.482 3.457 50 0 HGAARN O=C(c1cc(Cl)ccc1Cl)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000016964320 558810637 /nfs/dbraw/zinc/81/06/37/558810637.db2.gz SMDAUUWKYAYLQV-GOSISDBHSA-N 0 0 421.280 3.260 50 0 HGAARN O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)NC1CCCCC1 ZINC000038143097 558811017 /nfs/dbraw/zinc/81/10/17/558811017.db2.gz XRGRBWFEKGPPLS-UHFFFAOYSA-N 0 0 418.611 3.393 50 0 HGAARN COc1nccc(N2CCC(CC(=O)NCc3ccccc3C(F)(F)F)CC2)n1 ZINC000065281920 558811080 /nfs/dbraw/zinc/81/10/80/558811080.db2.gz PGOKNDAUKSPVDG-UHFFFAOYSA-N 0 0 408.424 3.427 50 0 HGAARN O=C(Nc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038528633 558811951 /nfs/dbraw/zinc/81/19/51/558811951.db2.gz WMDZGXSRPIQHNH-UHFFFAOYSA-N 0 0 400.914 3.474 50 0 HGAARN O=C(c1c(F)cccc1Cl)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038528461 558812084 /nfs/dbraw/zinc/81/20/84/558812084.db2.gz SLLAOPYLGXBTQR-UHFFFAOYSA-N 0 0 403.889 3.222 50 0 HGAARN S=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017082780 558815042 /nfs/dbraw/zinc/81/50/42/558815042.db2.gz BTOYBRIETSCOEE-UHFFFAOYSA-N 0 0 403.935 3.261 50 0 HGAARN COC(=O)c1ccsc1NC(=O)CSc1nnc(-c2csc(C)c2)n1C ZINC000017088071 558816856 /nfs/dbraw/zinc/81/68/56/558816856.db2.gz MLNYABARSFFXOT-UHFFFAOYSA-N 0 0 408.530 3.431 50 0 HGAARN CCn1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(SC)nn32)n1 ZINC000017088298 558817139 /nfs/dbraw/zinc/81/71/39/558817139.db2.gz CQVUBGQDHQMZPZ-QGZVFWFLSA-N 0 0 409.519 3.452 50 0 HGAARN Cc1nc(NC(=O)CSc2nnc(C(C)C)n2C(C)C)sc1C(=O)N(C)C ZINC000017088622 558817443 /nfs/dbraw/zinc/81/74/43/558817443.db2.gz AMSCHXIFEAQNMU-UHFFFAOYSA-N 0 0 410.569 3.180 50 0 HGAARN C[C@@H](C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1)N1CCCC1=O ZINC000039542853 558822120 /nfs/dbraw/zinc/82/21/20/558822120.db2.gz IOGWZLKONAYFFC-LBPRGKRZSA-N 0 0 407.392 3.256 50 0 HGAARN Nc1ccccc1-c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000071817796 558824546 /nfs/dbraw/zinc/82/45/46/558824546.db2.gz QUJUKKZJEBCUFI-UHFFFAOYSA-N 0 0 401.513 3.080 50 0 HGAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000032999609 558826126 /nfs/dbraw/zinc/82/61/26/558826126.db2.gz LFHIXJBDPBWXEL-UHFFFAOYSA-N 0 0 415.490 3.039 50 0 HGAARN CCN1CCc2nc3ccccc3c(C(=O)NCCc3ccc4c(c3)OCCO4)c2C1 ZINC000032999652 558826157 /nfs/dbraw/zinc/82/61/57/558826157.db2.gz PQWXTUKWPSCOOP-UHFFFAOYSA-N 0 0 417.509 3.357 50 0 HGAARN O=C(C(c1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000033000017 558826504 /nfs/dbraw/zinc/82/65/04/558826504.db2.gz KTVWAXQRUZRMEU-LEWJYISDSA-N 0 0 413.539 3.013 50 0 HGAARN CCOc1ccc(-c2nnc(SCC(=O)NCCc3nc4ccccc4[nH]3)o2)cc1 ZINC000033004642 558827211 /nfs/dbraw/zinc/82/72/11/558827211.db2.gz ALFKOKHUGWVDRV-UHFFFAOYSA-N 0 0 423.498 3.463 50 0 HGAARN CCn1c(=O)c(N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)nc2cccnc21 ZINC000033006332 558827763 /nfs/dbraw/zinc/82/77/63/558827763.db2.gz MDMSZTSJNSNJSD-QGZVFWFLSA-N 0 0 411.550 3.257 50 0 HGAARN COc1cccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325455 558828060 /nfs/dbraw/zinc/82/80/60/558828060.db2.gz FCWPOSRDQCAGHJ-CQSZACIVSA-N 0 0 417.512 3.232 50 0 HGAARN C[C@@H](NC(=O)c1cc(=O)n2c3ccccc3nc2s1)c1ccc2c(c1)OCCO2 ZINC000033008906 558828204 /nfs/dbraw/zinc/82/82/04/558828204.db2.gz FKXJETYVPIAEOA-GFCCVEGCSA-N 0 0 407.451 3.171 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/nfs/dbraw/zinc/83/30/55/558833055.db2.gz LPQVTBGBGUFSNR-GOSISDBHSA-N 0 0 412.515 3.121 50 0 HGAARN Cc1cc(OCC(=O)N2CCN(c3ccccn3)CC2)cc(C)c1Br ZINC000018220288 558833964 /nfs/dbraw/zinc/83/39/64/558833964.db2.gz OYROHIFNXXGJOD-UHFFFAOYSA-N 0 0 404.308 3.189 50 0 HGAARN O=c1oc2ccccc2cc1C1=CSc2nnc(-c3ccc4c(c3)OCO4)n2N1 ZINC000004598334 558834344 /nfs/dbraw/zinc/83/43/44/558834344.db2.gz LXBKKVCKZJYGAX-UHFFFAOYSA-N 0 0 404.407 3.138 50 0 HGAARN CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000004599258 558834996 /nfs/dbraw/zinc/83/49/96/558834996.db2.gz GANPJGZRVDDEMH-MRXNPFEDSA-N 0 0 403.548 3.316 50 0 HGAARN CCCCNC(=O)[C@@H](CC)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000004599138 558834999 /nfs/dbraw/zinc/83/49/99/558834999.db2.gz IVUARZOBQOOZHD-MAUKXSAKSA-N 0 0 403.548 3.363 50 0 HGAARN Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC000060321716 558836165 /nfs/dbraw/zinc/83/61/65/558836165.db2.gz MHDWGCBBZZPIKE-UHFFFAOYSA-N 0 0 404.532 3.405 50 0 HGAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cn2cccn2)cc1 ZINC000010642028 558836314 /nfs/dbraw/zinc/83/63/14/558836314.db2.gz FDINWVAFXHFRPA-UHFFFAOYSA-N 0 0 424.526 3.358 50 0 HGAARN CCN(CC)c1ccc(NC(=O)Cn2cnc3nc(SC)sc3c2=O)c(C)c1 ZINC000033020818 558836780 /nfs/dbraw/zinc/83/67/80/558836780.db2.gz VGEWWXCHYFQRKX-UHFFFAOYSA-N 0 0 417.560 3.368 50 0 HGAARN Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)N1CC(OCCCc2ccccc2)C1 ZINC000072313132 558838348 /nfs/dbraw/zinc/83/83/48/558838348.db2.gz OSDDWGBTCWLERE-UHFFFAOYSA-N 0 0 405.564 3.277 50 0 HGAARN CCOC(CCn1c(SCC(=O)N(CC)CC)nc2ccccc2c1=O)OCC ZINC000004601830 558842481 /nfs/dbraw/zinc/84/24/81/558842481.db2.gz GAAWABFSHFFPTF-UHFFFAOYSA-N 0 0 421.563 3.146 50 0 HGAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000048044625 558842837 /nfs/dbraw/zinc/84/28/37/558842837.db2.gz OPYVHQBCXVJKLU-GFCCVEGCSA-N 0 0 400.547 3.144 50 0 HGAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCc2[nH]cnc2C1)OC(C)(C)CC3 ZINC000013570297 558844409 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3.192 50 0 HGAARN COc1ccc(-c2noc(CN3CCN(c4ccccc4OC)CC3)n2)cc1OC ZINC000053771371 558865334 /nfs/dbraw/zinc/86/53/34/558865334.db2.gz YSSHCIBCCQNVCU-UHFFFAOYSA-N 0 0 410.474 3.085 50 0 HGAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc(-n3nc(C)cc3C)nn2)cc1OC ZINC000011141805 558865648 /nfs/dbraw/zinc/86/56/48/558865648.db2.gz HFMWTUMZIMSDOT-AWEZNQCLSA-N 0 0 413.503 3.416 50 0 HGAARN CCOc1ccc(CC(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)cc1OCC ZINC000072330924 558865668 /nfs/dbraw/zinc/86/56/68/558865668.db2.gz QBNWYWRVNKQSKW-UHFFFAOYSA-N 0 0 417.458 3.226 50 0 HGAARN COc1ccc(/C=C/C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)cc1OC ZINC000072330822 558865832 /nfs/dbraw/zinc/86/58/32/558865832.db2.gz ISXHJWJUHHNHGK-VMPITWQZSA-N 0 0 407.825 3.369 50 0 HGAARN Cc1ccc(C2(c3noc(CN4CCN(Cc5nccn5C)CC4)n3)CCCC2)cc1 ZINC000019300296 558866162 /nfs/dbraw/zinc/86/61/62/558866162.db2.gz JJPIZBISBBTUKU-UHFFFAOYSA-N 0 0 420.561 3.289 50 0 HGAARN O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000019313437 558866969 /nfs/dbraw/zinc/86/69/69/558866969.db2.gz APUPMQKPFQFEMY-QFIPXVFZSA-N 0 0 403.457 3.433 50 0 HGAARN Cc1cccc2c(=O)[nH]c(CSc3nnc([C@H]4COc5ccccc5O4)o3)nc12 ZINC000019314705 558866980 /nfs/dbraw/zinc/86/69/80/558866980.db2.gz XZZXLPDIXMYZIV-OAHLLOKOSA-N 0 0 408.439 3.419 50 0 HGAARN Cn1c2ccccc2n(CCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1=O ZINC000011147774 558867994 /nfs/dbraw/zinc/86/79/94/558867994.db2.gz UPDTTYRHFIMPFK-UHFFFAOYSA-N 0 0 403.486 3.445 50 0 HGAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cc2)no1 ZINC000033077045 558868478 /nfs/dbraw/zinc/86/84/78/558868478.db2.gz WCRULBGRNAWLFB-UHFFFAOYSA-N 0 0 404.470 3.214 50 0 HGAARN CCc1ccc2oc(=O)cc(CN3CCN(Cc4cc(C=O)ccc4OC)CC3)c2c1 ZINC000033088031 558869859 /nfs/dbraw/zinc/86/98/59/558869859.db2.gz PAWKBFDJAWSXGN-UHFFFAOYSA-N 0 0 420.509 3.494 50 0 HGAARN CCOc1ccccc1CNS(=O)(=O)c1cc(-c2noc(CC)n2)ccc1C ZINC000033086489 558870970 /nfs/dbraw/zinc/87/09/70/558870970.db2.gz LNPUISSJHLSRLV-UHFFFAOYSA-N 0 0 401.488 3.485 50 0 HGAARN Cc1csc(SCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n1 ZINC000055061191 558871473 /nfs/dbraw/zinc/87/14/73/558871473.db2.gz MXSRJWUAAAAJOE-LJQANCHMSA-N 0 0 416.616 3.357 50 0 HGAARN CC(C)c1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)n(C)n1 ZINC000055098982 558871974 /nfs/dbraw/zinc/87/19/74/558871974.db2.gz XRUCTEANALRKNZ-HXUWFJFHSA-N 0 0 413.541 3.109 50 0 HGAARN CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000055119138 558873078 /nfs/dbraw/zinc/87/30/78/558873078.db2.gz GTSDXJHHDAEIKY-HXUWFJFHSA-N 0 0 421.538 3.017 50 0 HGAARN COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1C ZINC000055182636 558875022 /nfs/dbraw/zinc/87/50/22/558875022.db2.gz LHUMSGCFKZVANR-OAQYLSRUSA-N 0 0 423.557 3.439 50 0 HGAARN O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)NCc3ccco3)C2)s1 ZINC000033113552 558875456 /nfs/dbraw/zinc/87/54/56/558875456.db2.gz JQORDRNZGCGDGM-AWEZNQCLSA-N 0 0 411.487 3.473 50 0 HGAARN C[C@@H](c1ccccn1)N(C)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F ZINC000055225366 558876558 /nfs/dbraw/zinc/87/65/58/558876558.db2.gz BITSYBNERKGFDK-HNNXBMFYSA-N 0 0 402.495 3.062 50 0 HGAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000033122614 558879335 /nfs/dbraw/zinc/87/93/35/558879335.db2.gz KFMWUBPCKWIOEJ-UHFFFAOYSA-N 0 0 423.922 3.323 50 0 HGAARN CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000055529289 558881835 /nfs/dbraw/zinc/88/18/35/558881835.db2.gz DCGMCPLEEATNEO-DYESRHJHSA-N 0 0 422.481 3.386 50 0 HGAARN COc1cccc(CNC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)c1 ZINC000033128312 558882084 /nfs/dbraw/zinc/88/20/84/558882084.db2.gz ZEPODHGQWDNLEZ-MRXNPFEDSA-N 0 0 409.511 3.347 50 0 HGAARN O=C(COc1ccccc1F)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000013801551 558882903 /nfs/dbraw/zinc/88/29/03/558882903.db2.gz CNEGBMOOVTWUNE-UHFFFAOYSA-N 0 0 415.852 3.288 50 0 HGAARN Cc1ccc(Cl)cc1-n1nc(O[C@H](C)C(=O)NCc2ccccc2F)ccc1=O ZINC000033125712 558883604 /nfs/dbraw/zinc/88/36/04/558883604.db2.gz WDRYDXVDBGYIPS-CQSZACIVSA-N 0 0 415.852 3.417 50 0 HGAARN CCS(=O)(=O)N1CCC(C(=O)OCc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000019427396 558885615 /nfs/dbraw/zinc/88/56/15/558885615.db2.gz CSDLTNWEKCBTID-UHFFFAOYSA-N 0 0 408.545 3.223 50 0 HGAARN CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C2Sc3cccc(C)c3N21 ZINC000004623344 558886016 /nfs/dbraw/zinc/88/60/16/558886016.db2.gz XTYVRGUZWAGBGC-MRXNPFEDSA-N 0 0 400.426 3.406 50 0 HGAARN CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000004675180 558886920 /nfs/dbraw/zinc/88/69/20/558886920.db2.gz WNOCMDBYQGHWMZ-UHFFFAOYSA-N 0 0 407.470 3.339 50 0 HGAARN CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C(C)=C1C(=O)OC ZINC000004624162 558887780 /nfs/dbraw/zinc/88/77/80/558887780.db2.gz UKYLRPTWNRZVBK-IBGZPJMESA-N 0 0 412.408 3.083 50 0 HGAARN NC(=O)c1cccc(CCNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1 ZINC000060366331 558889281 /nfs/dbraw/zinc/88/92/81/558889281.db2.gz ZSFUOYAPONBTET-UHFFFAOYSA-N 0 0 417.494 3.067 50 0 HGAARN Cc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000033139706 558891358 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C[C@@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C1=O ZINC000004686619 558895841 /nfs/dbraw/zinc/89/58/41/558895841.db2.gz LPXRIJMNCFASEZ-VBKZILBWSA-N 0 0 419.403 3.307 50 0 HGAARN COCc1nc2ncc3c(=O)n(-c4ccc(Cl)c(C(F)(F)F)c4)ccc3n2n1 ZINC000071376479 558897057 /nfs/dbraw/zinc/89/70/57/558897057.db2.gz OIOHLRBVDIJASB-UHFFFAOYSA-N 0 0 409.755 3.247 50 0 HGAARN COc1ccc(OC)c(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)c1 ZINC000071384913 558897179 /nfs/dbraw/zinc/89/71/79/558897179.db2.gz XNYLUFNNKLCJRB-UHFFFAOYSA-N 0 0 405.458 3.493 50 0 HGAARN O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc(N2CCOCC2)nc1 ZINC000058109258 558899340 /nfs/dbraw/zinc/89/93/40/558899340.db2.gz MQNWKAGOTIQPEP-UHFFFAOYSA-N 0 0 410.522 3.015 50 0 HGAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)NC[C@H]3Cc4ccccc4O3)cc2)c1C ZINC000058110021 558899607 /nfs/dbraw/zinc/89/96/07/558899607.db2.gz ZGNXVOODORFSRC-LJQANCHMSA-N 0 0 420.469 3.483 50 0 HGAARN Cc1ccc(CNC(=O)c2nsc(C(=O)NC[C@H](C)c3ccccc3)c2N)cc1 ZINC000033171917 558900515 /nfs/dbraw/zinc/90/05/15/558900515.db2.gz RZKZYYAVCGGJJG-HNNXBMFYSA-N 0 0 408.527 3.497 50 0 HGAARN COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1S(=O)(=O)N1CCCCC1 ZINC000058134854 558900744 /nfs/dbraw/zinc/90/07/44/558900744.db2.gz WGIJORUTGCISHH-MSOLQXFVSA-N 0 0 415.515 3.007 50 0 HGAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(CC)CC1 ZINC000033173660 558901756 /nfs/dbraw/zinc/90/17/56/558901756.db2.gz CPONJUFHEFIMHD-UHFFFAOYSA-N 0 0 417.453 3.249 50 0 HGAARN CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000058145639 558901909 /nfs/dbraw/zinc/90/19/09/558901909.db2.gz UZHCQUOUXMXCFB-INIZCTEOSA-N 0 0 412.433 3.401 50 0 HGAARN CCCN([C@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000058155157 558902902 /nfs/dbraw/zinc/90/29/02/558902902.db2.gz CKWURYGQKZZIMH-MRXNPFEDSA-N 0 0 418.515 3.291 50 0 HGAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)NC(C)(C)C)CC2)c1C ZINC000033170134 558903364 /nfs/dbraw/zinc/90/33/64/558903364.db2.gz KOSHSVLUJMDXRX-UHFFFAOYSA-N 0 0 413.591 3.427 50 0 HGAARN CCOc1ccccc1N1CCN(Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000058159157 558904444 /nfs/dbraw/zinc/90/44/44/558904444.db2.gz YWYJWUUVPPKGQD-UHFFFAOYSA-N 0 0 410.547 3.191 50 0 HGAARN Cc1c(-c2ccccc2)sc2ncnc(N3CCN(CC(=O)N4CCCC4)CC3)c12 ZINC000058160082 558904787 /nfs/dbraw/zinc/90/47/87/558904787.db2.gz AYYUTUBTFCJFPD-UHFFFAOYSA-N 0 0 421.570 3.411 50 0 HGAARN O=C(CN1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1)N1CCCCCC1 ZINC000058161187 558905446 /nfs/dbraw/zinc/90/54/46/558905446.db2.gz MMBCXHFTNPEJLT-UHFFFAOYSA-N 0 0 421.467 3.173 50 0 HGAARN Cc1cc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c(C)n1C1CC1 ZINC000058161228 558905520 /nfs/dbraw/zinc/90/55/20/558905520.db2.gz XKVNOJDHUYWPGD-UHFFFAOYSA-N 0 0 408.546 3.453 50 0 HGAARN CNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004694656 558905591 /nfs/dbraw/zinc/90/55/91/558905591.db2.gz WHGDFMRIYWBNMJ-UHFFFAOYSA-N 0 0 405.278 3.069 50 0 HGAARN CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004696096 558905935 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Fc1cccc(Cl)c1CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 ZINC000011762265 559258621 /nfs/dbraw/zinc/25/86/21/559258621.db2.gz QTYZVIYNMXMHHP-ZDUSSCGKSA-N 0 0 412.918 3.379 50 0 HGAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N[C@@H]3CCCC[C@H]3C)cc2NC1=O ZINC000248003990 559259309 /nfs/dbraw/zinc/25/93/09/559259309.db2.gz UQHVGADIYQMTQF-UNEWFSDZSA-N 0 0 424.588 3.368 50 0 HGAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3CCCN23)cc1 ZINC000248140551 559265244 /nfs/dbraw/zinc/26/52/44/559265244.db2.gz PPKBCXDRJPIAHD-HAGHYFMRSA-N 0 0 424.884 3.184 50 0 HGAARN Cc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@H]3CCCN23)cc1 ZINC000248160721 559265916 /nfs/dbraw/zinc/26/59/16/559265916.db2.gz OFZSRVMXIITFEV-MBDNFAEBSA-N 0 0 402.494 3.447 50 0 HGAARN CCOc1ccc(N(C(=O)CNc2ccccc2C)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000011903767 559265942 /nfs/dbraw/zinc/26/59/42/559265942.db2.gz GBGDKKDTLPGQII-SFHVURJKSA-N 0 0 400.500 3.150 50 0 HGAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc2ccccc2n1 ZINC000011919162 559268206 /nfs/dbraw/zinc/26/82/06/559268206.db2.gz MYXMMAKSMOTTGX-OAHLLOKOSA-N 0 0 402.454 3.071 50 0 HGAARN Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)s2)cs1 ZINC000100799325 559268270 /nfs/dbraw/zinc/26/82/70/559268270.db2.gz GYZWNJJELJPBSY-GASCZTMLSA-N 0 0 415.540 3.138 50 0 HGAARN Cc1ccc(Oc2ccc(NC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)cc2)cc1 ZINC000011987476 559269885 /nfs/dbraw/zinc/26/98/85/559269885.db2.gz LAMGTHWDJUXZFM-UHFFFAOYSA-N 0 0 401.422 3.429 50 0 HGAARN COc1ccc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)cc1Cl ZINC000011997077 559270184 /nfs/dbraw/zinc/27/01/84/559270184.db2.gz BASOEFRBIOQBGA-CYBMUJFWSA-N 0 0 411.911 3.280 50 0 HGAARN CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000012016800 559271244 /nfs/dbraw/zinc/27/12/44/559271244.db2.gz LUROFNLVLMJNST-SUMWQHHRSA-N 0 0 409.914 3.326 50 0 HGAARN C[C@@H](c1ccon1)N(C)C(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O ZINC000426503661 559274492 /nfs/dbraw/zinc/27/44/92/559274492.db2.gz SCYAUPMYXLGCFD-INIZCTEOSA-N 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CCOc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc(OC)cc(OC)c3)C2)cc1 ZINC000225494257 568643117 /nfs/dbraw/zinc/64/31/17/568643117.db2.gz KRBNMKXJYULSNC-FQEVSTJZSA-N 0 0 404.488 3.213 50 0 HGAARN COc1cccc(CN2C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000020848660 568644701 /nfs/dbraw/zinc/64/47/01/568644701.db2.gz MNCRFYVDGPOIPO-RTBURBONSA-N 0 0 420.918 3.265 50 0 HGAARN CCc1nn(CCCC(=O)NCc2ccccc2OC)c(=O)c2cc3oc(C)cc3n21 ZINC000020862421 568646219 /nfs/dbraw/zinc/64/62/19/568646219.db2.gz XPNHLPKOJUGXTR-UHFFFAOYSA-N 0 0 422.485 3.218 50 0 HGAARN CCOc1ccc(CNC(=O)Cn2nc(CC)n3c4cc(C)sc4cc3c2=O)cc1 ZINC000020862622 568646242 /nfs/dbraw/zinc/64/62/42/568646242.db2.gz KFWPGUZXSFXCFA-UHFFFAOYSA-N 0 0 424.526 3.297 50 0 HGAARN CC(C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000020889298 568647504 /nfs/dbraw/zinc/64/75/04/568647504.db2.gz WOCTWRKGMGDLHV-UHFFFAOYSA-N 0 0 423.332 3.339 50 0 HGAARN O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)Oc1ccc(Cl)cc1 ZINC000020900157 568649553 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3.149 50 0 HGAARN CCOC(=O)c1noc2ncnc(NCCc3ccc(OCC)c(OCC)c3)c21 ZINC000020992218 568656099 /nfs/dbraw/zinc/65/60/99/568656099.db2.gz VPWOLIFLFIOYRP-UHFFFAOYSA-N 0 0 400.435 3.247 50 0 HGAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1 ZINC000021019246 568658185 /nfs/dbraw/zinc/65/81/85/568658185.db2.gz CPSNDTWBVNCFBU-UHFFFAOYSA-N 0 0 414.527 3.188 50 0 HGAARN O=C(CN1CCn2nc(-c3ccccc3)cc2C1=O)NCCc1ccc(Cl)cc1 ZINC000021021484 568658389 /nfs/dbraw/zinc/65/83/89/568658389.db2.gz YWRRFHRCAUKTOG-UHFFFAOYSA-N 0 0 408.889 3.018 50 0 HGAARN O=C(NCCCc1ccccc1)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000021049352 568660715 /nfs/dbraw/zinc/66/07/15/568660715.db2.gz PHWQNGHEGPZDOR-UHFFFAOYSA-N 0 0 402.498 3.292 50 0 HGAARN CC(C)OCCCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049761 568660804 /nfs/dbraw/zinc/66/08/04/568660804.db2.gz OEIOKFBAZTXSJJ-UHFFFAOYSA-N 0 0 418.925 3.128 50 0 HGAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)NCCC(C)C)CC3)ccc21 ZINC000021087973 568661451 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HGAARN O=C(Nc1noc(-c2ccccc2)c1Br)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000225738958 568669840 /nfs/dbraw/zinc/66/98/40/568669840.db2.gz QYHRHRMCRVLQED-OLZOCXBDSA-N 0 0 419.279 3.379 50 0 HGAARN O=C(Nc1noc(-c2ccccc2)c1Br)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000225739010 568669912 /nfs/dbraw/zinc/66/99/12/568669912.db2.gz QYHRHRMCRVLQED-CHWSQXEVSA-N 0 0 419.279 3.379 50 0 HGAARN CC(C)(C)[S@](=O)CCNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000095958700 568669943 /nfs/dbraw/zinc/66/99/43/568669943.db2.gz UTQUQZXICJUKJI-OQRWROFFSA-N 0 0 422.494 3.100 50 0 HGAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]c3c2CCC3)[C@@H](c2cccc(F)c2)C1 ZINC000225741414 568670136 /nfs/dbraw/zinc/67/01/36/568670136.db2.gz MHMSLYLUAFIQNE-GOSISDBHSA-N 0 0 414.481 3.472 50 0 HGAARN Cn1c2cn(-c3ccccc3)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000021150136 568672029 /nfs/dbraw/zinc/67/20/29/568672029.db2.gz XMDZGJJPLIRXSJ-UHFFFAOYSA-N 0 0 410.271 3.457 50 0 HGAARN NC(=O)c1c2c(sc1NC(=O)[C@H]1CCCN(C(=O)c3cccs3)C1)CCCC2 ZINC000021172453 568676759 /nfs/dbraw/zinc/67/67/59/568676759.db2.gz WFTVXKSKBPXPBC-LBPRGKRZSA-N 0 0 417.556 3.278 50 0 HGAARN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000095995448 568678412 /nfs/dbraw/zinc/67/84/12/568678412.db2.gz BGEWOMDKKDSXRI-STQMWFEESA-N 0 0 406.914 3.312 50 0 HGAARN Cc1noc2ncc(C(=O)N3CCCCC[C@@H]3c3noc(-c4cnn(C)c4)n3)cc12 ZINC000096001915 568681388 /nfs/dbraw/zinc/68/13/88/568681388.db2.gz FBIFUIUQTMYVDO-MRXNPFEDSA-N 0 0 407.434 3.072 50 0 HGAARN CCOc1ccccc1[C@H](CC(=O)NCCCCNC(=O)OC(C)(C)C)NC(C)=O ZINC000096004677 568682379 /nfs/dbraw/zinc/68/23/79/568682379.db2.gz QPNAAZMJUGLIQU-SFHVURJKSA-N 0 0 421.538 3.074 50 0 HGAARN COCCN(CCOC)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000021275110 568686019 /nfs/dbraw/zinc/68/60/19/568686019.db2.gz ICTQLEHOCSANKC-UHFFFAOYSA-N 0 0 405.495 3.329 50 0 HGAARN CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c1 ZINC000021354875 568687925 /nfs/dbraw/zinc/68/79/25/568687925.db2.gz RZOJJAPBOLKCAF-UHFFFAOYSA-N 0 0 417.469 3.165 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/nfs/dbraw/zinc/69/74/31/568697431.db2.gz LJWQSGFESLXBAI-INIZCTEOSA-N 0 0 409.515 3.303 50 0 HGAARN COCc1nnc(-c2ccc(NC(=O)c3cc4cc(OC)c(OC)cc4n3C)cc2)[nH]1 ZINC000096117920 568697469 /nfs/dbraw/zinc/69/74/69/568697469.db2.gz YXZHMRDSADXKEC-UHFFFAOYSA-N 0 0 421.457 3.379 50 0 HGAARN COc1cc(NC(=O)N2CCC(Oc3cccc(C)n3)CC2)cc(OC)c1OC ZINC000096119552 568698873 /nfs/dbraw/zinc/69/88/73/568698873.db2.gz FEAJTAVQCFFFQR-UHFFFAOYSA-N 0 0 401.463 3.491 50 0 HGAARN O=C(Cc1c(F)cccc1Cl)NCC1CCN(C(=O)COc2ccccc2)CC1 ZINC000096120348 568699311 /nfs/dbraw/zinc/69/93/11/568699311.db2.gz NJZQMAARZKDTIC-UHFFFAOYSA-N 0 0 418.896 3.455 50 0 HGAARN O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1S(=O)(=O)C(F)F ZINC000096120219 568699348 /nfs/dbraw/zinc/69/93/48/568699348.db2.gz VSYGLSYBTOJSQX-UHFFFAOYSA-N 0 0 409.454 3.161 50 0 HGAARN CCn1c(C[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C2)nc2cccnc21 ZINC000096124939 568701071 /nfs/dbraw/zinc/70/10/71/568701071.db2.gz SYAYIFGFLOLOPY-INIZCTEOSA-N 0 0 410.543 3.193 50 0 HGAARN CC1(C)OC(=O)N(CCCCCCCCN2C(=O)OC(C)(C)[C@]2(C)O)[C@]1(C)O ZINC000012402029 568705247 /nfs/dbraw/zinc/70/52/47/568705247.db2.gz AZZLDPYSDFMHII-BGYRXZFFSA-N 0 0 400.516 3.206 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000096223713 568706210 /nfs/dbraw/zinc/70/62/10/568706210.db2.gz AZXKBSFTAPKWOB-IBGZPJMESA-N 0 0 402.454 3.149 50 0 HGAARN O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccccc2F)co1 ZINC000096231795 568707609 /nfs/dbraw/zinc/70/76/09/568707609.db2.gz MYAYNOASJBVXML-CQSZACIVSA-N 0 0 417.418 3.313 50 0 HGAARN Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCc1ccc3c(c1)OCO3)n2C ZINC000021529925 568710388 /nfs/dbraw/zinc/71/03/88/568710388.db2.gz FEICHNXZWCBTSY-UHFFFAOYSA-N 0 0 405.454 3.272 50 0 HGAARN Cc1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3cc(=O)[nH]n32)c1 ZINC000021537267 568712421 /nfs/dbraw/zinc/71/24/21/568712421.db2.gz JYGKNYBMDFBPNG-UHFFFAOYSA-N 0 0 409.446 3.263 50 0 HGAARN C[C@H]1CCCN(c2nn3c(ncc(C(=O)NCCC4=CCCCC4)c3=O)s2)C1 ZINC000021537654 568712691 /nfs/dbraw/zinc/71/26/91/568712691.db2.gz XXGBTQJUVHVJGW-AWEZNQCLSA-N 0 0 401.536 3.008 50 0 HGAARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000021547779 568713965 /nfs/dbraw/zinc/71/39/65/568713965.db2.gz MTIKGPHHIQFGEH-ZDUSSCGKSA-N 0 0 409.895 3.284 50 0 HGAARN C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H](O)c3cccc(F)c3)cc2F)C[C@H](C)O1 ZINC000229686453 568714952 /nfs/dbraw/zinc/71/49/52/568714952.db2.gz VICNIYJXNFVZBN-LAPQFRIASA-N 0 0 405.445 3.434 50 0 HGAARN Cc1ccccc1CN1CCN(Cc2ccc(Br)cc2F)S1(=O)=O ZINC000012415146 568717558 /nfs/dbraw/zinc/71/75/58/568717558.db2.gz RBQCCXVUROILRI-UHFFFAOYSA-N 0 0 413.312 3.459 50 0 HGAARN COc1ccc(NC(=O)Cn2cnc3c4cccnc4sc3c2=O)cc1Cl ZINC000012415175 568717587 /nfs/dbraw/zinc/71/75/87/568717587.db2.gz AXWXFZCRVCHZSO-UHFFFAOYSA-N 0 0 400.847 3.307 50 0 HGAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000005782581 568719713 /nfs/dbraw/zinc/71/97/13/568719713.db2.gz XJJHPQPXNLRJRS-AWEZNQCLSA-N 0 0 413.861 3.322 50 0 HGAARN 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CNS(=O)(=O)Cc1ccccc1CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000012893641 569020102 /nfs/dbraw/zinc/02/01/02/569020102.db2.gz IHCTUOMWHXKPKK-UHFFFAOYSA-N 0 0 422.506 3.290 50 0 HGAARN CC(=O)c1cccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 ZINC000012902559 569020643 /nfs/dbraw/zinc/02/06/43/569020643.db2.gz WJTQMWYMFAGQDX-UHFFFAOYSA-N 0 0 405.454 3.343 50 0 biogenic HGAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000012908815 569021607 /nfs/dbraw/zinc/02/16/07/569021607.db2.gz FRJMTKZEHRONOM-HSZRJFAPSA-N 0 0 410.514 3.007 50 0 HGAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000012919679 569022896 /nfs/dbraw/zinc/02/28/96/569022896.db2.gz MLDUSTUFMLXWPM-NVXWUHKLSA-N 0 0 413.905 3.313 50 0 HGAARN CCN(Cc1cccs1)C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 ZINC000012920107 569022919 /nfs/dbraw/zinc/02/29/19/569022919.db2.gz COXNDVSIMBXBQX-UHFFFAOYSA-N 0 0 410.561 3.450 50 0 HGAARN O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000012923769 569023458 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CCC[C@@H]1CCc2sc(C(=O)N3CCN(c4cc(C)nc5ncnn54)CC3)cc2C1 ZINC000426383122 569072627 /nfs/dbraw/zinc/07/26/27/569072627.db2.gz KFCXRKNZCSECGT-MRXNPFEDSA-N 0 0 424.574 3.362 50 0 HGAARN COCC1(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)CCC1 ZINC000426388356 569072695 /nfs/dbraw/zinc/07/26/95/569072695.db2.gz CWTHKERBJGKZSJ-NRFANRHFSA-N 0 0 406.473 3.123 50 0 HGAARN Cc1nnsc1CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426425484 569072995 /nfs/dbraw/zinc/07/29/95/569072995.db2.gz RTBKGXAJGHPOJB-UHFFFAOYSA-N 0 0 403.533 3.001 50 0 HGAARN O=C(c1c[nH]c(=O)c(Cl)c1)N1CC[C@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000426443078 569073009 /nfs/dbraw/zinc/07/30/09/569073009.db2.gz WOUMUSODUNKZPF-NRFANRHFSA-N 0 0 405.926 3.476 50 0 HGAARN Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)Cc3cnccn3)csc2C1 ZINC000426445680 569073017 /nfs/dbraw/zinc/07/30/17/569073017.db2.gz UZPSVCVCOPCMJP-CYBMUJFWSA-N 0 0 411.531 3.062 50 0 HGAARN Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)c3cnn(C)c3C)csc2C1 ZINC000426518750 569073244 /nfs/dbraw/zinc/07/32/44/569073244.db2.gz JQFQWVKKLPPEIN-LBPRGKRZSA-N 0 0 413.547 3.444 50 0 HGAARN Cc1noc([C@@H](C)NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n1 ZINC000426628762 569073659 /nfs/dbraw/zinc/07/36/59/569073659.db2.gz MUAMZZGPYZFBBP-LLVKDONJSA-N 0 0 401.492 3.094 50 0 HGAARN Cc1noc(C)c1CN1CCc2c(C(=O)NCc3cccc(CO)c3)csc2C1 ZINC000426711242 569073983 /nfs/dbraw/zinc/07/39/83/569073983.db2.gz HAMGCERQXWZWOV-UHFFFAOYSA-N 0 0 411.527 3.334 50 0 HGAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(F)cc2)c1C ZINC000035989127 569074377 /nfs/dbraw/zinc/07/43/77/569074377.db2.gz DLSVFTTYIRDOCG-UHFFFAOYSA-N 0 0 424.494 3.087 50 0 HGAARN Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCc3ccccn3)no2)cc1 ZINC000035989172 569074394 /nfs/dbraw/zinc/07/43/94/569074394.db2.gz NRDMOXZAGIDHPH-FQEVSTJZSA-N 0 0 404.470 3.356 50 0 HGAARN CCOC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(OC)cc4)c3[nH]2)C1 ZINC000064611587 569074475 /nfs/dbraw/zinc/07/44/75/569074475.db2.gz WPXUQQOVEQEIRZ-AWEZNQCLSA-N 0 0 413.499 3.440 50 0 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/nfs/dbraw/zinc/07/94/25/569079425.db2.gz ZQMZBISSJOOJJK-UHFFFAOYSA-N 0 0 421.544 3.480 50 0 HGAARN CC[C@@H](C)N1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1)CC2 ZINC000036026465 569079551 /nfs/dbraw/zinc/07/95/51/569079551.db2.gz RIEWZACFZYJPCG-DENIHFKCSA-N 0 0 405.542 3.461 50 0 HGAARN CC[C@H](C)N1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)NC(C)(C)C)CC2 ZINC000036026758 569079794 /nfs/dbraw/zinc/07/97/94/569079794.db2.gz AGWJTXFFRQNODN-HKUYNNGSSA-N 0 0 400.567 3.128 50 0 HGAARN CCCNC(=O)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2Cc1ccccc1 ZINC000036026752 569079837 /nfs/dbraw/zinc/07/98/37/569079837.db2.gz HTMVFOMZYNFOKR-QFIPXVFZSA-N 0 0 420.557 3.141 50 0 HGAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000006648014 569080737 /nfs/dbraw/zinc/08/07/37/569080737.db2.gz QBLFONXBLGMKTA-QGZVFWFLSA-N 0 0 412.433 3.421 50 0 HGAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCC(C)C)c1 ZINC000036045236 569081926 /nfs/dbraw/zinc/08/19/26/569081926.db2.gz HTQMLDHAOQWQJI-NHCUHLMSSA-N 0 0 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CCOc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1OCC(C)C ZINC000017114185 569274997 /nfs/dbraw/zinc/27/49/97/569274997.db2.gz LQZPBXIJVKFUGK-UHFFFAOYSA-N 0 0 403.479 3.020 50 0 HGAARN Cc1ccc2nc(NC(=O)N[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)sc2c1 ZINC000017122161 569275126 /nfs/dbraw/zinc/27/51/26/569275126.db2.gz OJABDYWXXIZQCR-CYBMUJFWSA-N 0 0 424.482 3.303 50 0 HGAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccc(F)cc3)n2n1 ZINC000017136131 569275444 /nfs/dbraw/zinc/27/54/44/569275444.db2.gz QFZBRXWFVAQFRI-UHFFFAOYSA-N 0 0 416.503 3.426 50 0 HGAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cccc(F)c3)n2n1 ZINC000017136135 569275471 /nfs/dbraw/zinc/27/54/71/569275471.db2.gz HCOLZKGWGJYPGL-UHFFFAOYSA-N 0 0 416.503 3.426 50 0 HGAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000017170071 569276222 /nfs/dbraw/zinc/27/62/22/569276222.db2.gz PWSSYFDFPBLYFR-MRXNPFEDSA-N 0 0 421.521 3.483 50 0 HGAARN CCOC(=O)[C@@]12c3ccccc3N(c3ccccc3)[C@@]1(c1ccccc1)NC(=O)C2=O ZINC000002077908 569277712 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569293438 /nfs/dbraw/zinc/29/34/38/569293438.db2.gz RAYTWTVWPQVTFJ-INIZCTEOSA-N 0 0 415.453 3.097 50 0 HGAARN Cc1noc([C@H]2CCCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)C2)n1 ZINC000054661344 569293621 /nfs/dbraw/zinc/29/36/21/569293621.db2.gz BOPOCRZARUYTFY-RDJZCZTQSA-N 0 0 404.898 3.192 50 0 HGAARN Cn1c2ccccc2c2nnc(SCC(=O)Nc3cccc4nsnc43)nc21 ZINC000002194626 569294470 /nfs/dbraw/zinc/29/44/70/569294470.db2.gz WQAOJNXOGOZSHL-UHFFFAOYSA-N 0 0 407.484 3.252 50 0 HGAARN O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000002194915 569294509 /nfs/dbraw/zinc/29/45/09/569294509.db2.gz GWPAWHCOHINMTJ-UHFFFAOYSA-N 0 0 418.525 3.071 50 0 HGAARN CCS(=O)(=O)c1ccc2oc(-c3ccc(Cl)cc3OS(C)(=O)=O)nc2c1 ZINC000037427460 569298689 /nfs/dbraw/zinc/29/86/89/569298689.db2.gz NPNKLDUENOJVKE-UHFFFAOYSA-N 0 0 415.876 3.280 50 0 HGAARN COc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000007653000 569298881 /nfs/dbraw/zinc/29/88/81/569298881.db2.gz XFUDBUPBMDKKFU-UHFFFAOYSA-N 0 0 419.407 3.365 50 0 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Cc1cc(C)n(-c2ccc(CNC(=O)Cn3c(C)csc3=O)c(C(F)(F)F)c2)n1 ZINC000048353711 524487410 /nfs/dbraw/zinc/48/74/10/524487410.db2.gz HQWKWEHURYZDDZ-UHFFFAOYSA-N 0 0 424.448 3.356 50 0 HGAARN Cc1ccc(CNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)o1 ZINC000020562940 524500219 /nfs/dbraw/zinc/50/02/19/524500219.db2.gz RLSOMBNNPIGIES-UHFFFAOYSA-N 0 0 415.515 3.034 50 0 HGAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000040160444 524533041 /nfs/dbraw/zinc/53/30/41/524533041.db2.gz YYPNVERGVYUAQO-QFBILLFUSA-N 0 0 404.507 3.116 50 0 HGAARN Cc1cccc(N2N=C(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CCC2=O)c1 ZINC000032906507 524567217 /nfs/dbraw/zinc/56/72/17/524567217.db2.gz QGYDAKZSHGBHJM-UHFFFAOYSA-N 0 0 404.470 3.353 50 0 HGAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000019862445 524612012 /nfs/dbraw/zinc/61/20/12/524612012.db2.gz BRAFECQGPSYFLG-INIZCTEOSA-N 0 0 406.479 3.015 50 0 HGAARN COc1ccccc1NC(=O)Nc1nnc(CC(=O)N2CCc3ccccc32)s1 ZINC000021703925 524616660 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Cc1ccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(C(C)C)cc2)c3=O)cc1 ZINC000040478023 524780160 /nfs/dbraw/zinc/78/01/60/524780160.db2.gz FLFBRAFKQDEZQL-UHFFFAOYSA-N 0 0 416.485 3.107 50 0 HGAARN Cc1cccc([C@H](CNC(=O)Cc2csc(-c3ccco3)n2)N2CCOCC2)c1 ZINC000031995030 524881014 /nfs/dbraw/zinc/88/10/14/524881014.db2.gz NMYSCYGFCZWKRI-IBGZPJMESA-N 0 0 411.527 3.444 50 0 HGAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)CC2=O)cc1 ZINC000032898895 524978498 /nfs/dbraw/zinc/97/84/98/524978498.db2.gz MVBQLBAUGJRIFQ-IBGZPJMESA-N 0 0 406.482 3.175 50 0 HGAARN Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1C ZINC000043941908 524999290 /nfs/dbraw/zinc/99/92/90/524999290.db2.gz XJVCRYFQOJHTFQ-UHFFFAOYSA-N 0 0 409.486 3.269 50 0 HGAARN Cc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000032307323 525052343 /nfs/dbraw/zinc/05/23/43/525052343.db2.gz DCFYNUHZHKPRLE-UHFFFAOYSA-N 0 0 423.904 3.264 50 0 HGAARN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@H](c2nnc3ccccn32)C1)C(C)C ZINC000032830497 525059213 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CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002573561 557357492 /nfs/dbraw/zinc/35/74/92/557357492.db2.gz KQBDQWSNFWMTIU-IBGZPJMESA-N 0 0 412.442 3.041 50 0 HGAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2ccccc23)cc1 ZINC000002693689 557368526 /nfs/dbraw/zinc/36/85/26/557368526.db2.gz XZNQWQPJUBJVER-UHFFFAOYSA-N 0 0 407.499 3.273 50 0 HGAARN CC(C)CC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CC(C)C)c2ncccn2)cc1 ZINC000002727949 557371194 /nfs/dbraw/zinc/37/11/94/557371194.db2.gz DAJZWZVMGANEAJ-UHFFFAOYSA-N 0 0 418.519 3.229 50 0 HGAARN COc1ccccc1-n1c2ncn(Cc3ccc(C)cc3)c2c(=O)n(C2CC2)c1=O ZINC000034693007 557373855 /nfs/dbraw/zinc/37/38/55/557373855.db2.gz JVIKKFWZZSCJQF-UHFFFAOYSA-N 0 0 402.454 3.049 50 0 HGAARN CSCC[C@@H](NC(C)=O)C(=O)OCC(=O)N(c1ccccc1)c1ccccc1 ZINC000002746186 557377273 /nfs/dbraw/zinc/37/72/73/557377273.db2.gz RTRQZFNQANULHU-LJQANCHMSA-N 0 0 400.500 3.152 50 0 HGAARN CCn1c(=O)c2c(ncn2Cc2ccccc2Cl)n(-c2ccccc2OC)c1=O ZINC000034694076 557377598 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COCCNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O ZINC000002809821 557393364 /nfs/dbraw/zinc/39/33/64/557393364.db2.gz ANZVZSKWBBBWPR-UHFFFAOYSA-N 0 0 402.878 3.022 50 0 HGAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)N3CCC(C)CC3)cc2oc1=O ZINC000002830394 557397759 /nfs/dbraw/zinc/39/77/59/557397759.db2.gz REEIMRGCDOJIIB-UHFFFAOYSA-N 0 0 421.877 3.108 50 0 HGAARN CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002831033 557398017 /nfs/dbraw/zinc/39/80/17/557398017.db2.gz JQUCRVVPXGCTNL-UHFFFAOYSA-N 0 0 417.369 3.299 50 0 HGAARN CC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 ZINC000002841667 557401019 /nfs/dbraw/zinc/40/10/19/557401019.db2.gz SHIDVKFGMZZWHO-UHFFFAOYSA-N 0 0 402.516 3.395 50 0 HGAARN Cc1cc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)ccc1Br ZINC000002843640 557402000 /nfs/dbraw/zinc/40/20/00/557402000.db2.gz KAPAKUZLNQGKTN-UHFFFAOYSA-N 0 0 415.284 3.301 50 0 HGAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O ZINC000002855822 557407146 /nfs/dbraw/zinc/40/71/46/557407146.db2.gz 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557431378 /nfs/dbraw/zinc/43/13/78/557431378.db2.gz KWUYVAAXIIKXLN-UHFFFAOYSA-N 0 0 404.532 3.361 50 0 HGAARN CC[C@@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000002961603 557431565 /nfs/dbraw/zinc/43/15/65/557431565.db2.gz UWFBNBBQDCBLSS-CQSZACIVSA-N 0 0 410.923 3.459 50 0 HGAARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OC)c(O)cc1Cl ZINC000002977845 557433850 /nfs/dbraw/zinc/43/38/50/557433850.db2.gz BNVVGOQACGKGTP-SFHVURJKSA-N 0 0 402.834 3.383 50 0 HGAARN COc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 ZINC000002979909 557435121 /nfs/dbraw/zinc/43/51/21/557435121.db2.gz AJJORKJFQSSKCS-UHFFFAOYSA-N 0 0 402.394 3.119 50 0 HGAARN COc1ccc(C(=O)NCCc2cc(OC)c(OC)cc2Br)cc1OC ZINC000002982370 557435812 /nfs/dbraw/zinc/43/58/12/557435812.db2.gz JBQLPWBGGNUTNF-UHFFFAOYSA-N 0 0 424.291 3.456 50 0 HGAARN CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(I)cc2)cc1 ZINC000002991198 557437748 /nfs/dbraw/zinc/43/77/48/557437748.db2.gz XYIYZSCRVNEANS-UHFFFAOYSA-N 0 0 417.224 3.017 50 0 HGAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000003066105 557444367 /nfs/dbraw/zinc/44/43/67/557444367.db2.gz IZCSIYFXYMFAER-UHFFFAOYSA-N 0 0 411.487 3.350 50 0 HGAARN O=C(NCCCn1ccnc1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000003094538 557446004 /nfs/dbraw/zinc/44/60/04/557446004.db2.gz POGFNDFLMNJDIR-UHFFFAOYSA-N 0 0 414.391 3.432 50 0 HGAARN O=C(c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O)N1CCc2ccccc2C1 ZINC000034810921 557464061 /nfs/dbraw/zinc/46/40/61/557464061.db2.gz MNOXTPIMKIUXIR-UHFFFAOYSA-N 0 0 420.900 3.391 50 0 HGAARN O=C(NC1CCCCC1)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O ZINC000034811275 557464197 /nfs/dbraw/zinc/46/41/97/557464197.db2.gz DNBSNHQQMKCEOZ-UHFFFAOYSA-N 0 0 404.873 3.394 50 0 HGAARN COCCNC(=O)c1nnc(N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000034837666 557468381 /nfs/dbraw/zinc/46/83/81/557468381.db2.gz WDOIYSXEDXKLRV-UHFFFAOYSA-N 0 0 404.514 3.465 50 0 HGAARN O=C(c1ccc(F)cc1)N1CCN(Cc2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000034904703 557472829 /nfs/dbraw/zinc/47/28/29/557472829.db2.gz AQZRWLJPVONULS-UHFFFAOYSA-N 0 0 400.841 3.487 50 0 HGAARN COCCn1c2ccccc2nc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000034906746 557473864 /nfs/dbraw/zinc/47/38/64/557473864.db2.gz SXXQCQRVOOPTRX-UHFFFAOYSA-N 0 0 410.493 3.355 50 0 HGAARN COc1ccccc1C(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000034858559 557477892 /nfs/dbraw/zinc/47/78/92/557477892.db2.gz MDZCMPKHRSLXMX-UHFFFAOYSA-N 0 0 416.543 3.008 50 0 HGAARN CCn1nc(C(=O)NCCCN2CCCC2=O)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901482 557481531 /nfs/dbraw/zinc/48/15/31/557481531.db2.gz PNRQEPSKAQXBDV-UHFFFAOYSA-N 0 0 408.424 3.331 50 0 HGAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@@H]1c1ccccc1 ZINC000034927864 557485667 /nfs/dbraw/zinc/48/56/67/557485667.db2.gz ITOFREBIAYEMDD-GOTSBHOMSA-N 0 0 415.493 3.325 50 0 HGAARN COc1ccc(CCNC(=O)Cc2c(C)c3ccc(O)c(C)c3oc2=O)cc1OC ZINC000004084315 557511282 /nfs/dbraw/zinc/51/12/82/557511282.db2.gz KRTHPMQDKOHITR-UHFFFAOYSA-N 0 0 411.454 3.034 50 0 biogenic HGAARN CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000004083948 557511291 /nfs/dbraw/zinc/51/12/91/557511291.db2.gz URQLQQGENCGBLP-AWEZNQCLSA-N 0 0 413.268 3.135 50 0 HGAARN COc1ccc(-c2noc(COC(=O)c3cc(Cl)c(N)cc3OC)n2)c(OC)c1 ZINC000010551096 557512293 /nfs/dbraw/zinc/51/22/93/557512293.db2.gz NNTRJWZPKPKNAU-UHFFFAOYSA-N 0 0 419.821 3.355 50 0 HGAARN O=C(CCCCC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000004168914 557523637 /nfs/dbraw/zinc/52/36/37/557523637.db2.gz ZCNSOMZZMHWFLJ-UHFFFAOYSA-N 0 0 412.442 3.367 50 0 HGAARN CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCc1ccccc1 ZINC000004189461 557526783 /nfs/dbraw/zinc/52/67/83/557526783.db2.gz LWHHTWYDEPJLBX-OAQYLSRUSA-N 0 0 410.470 3.473 50 0 HGAARN COc1c(Cl)cc(Cl)cc1[C@@H](c1nnnn1-c1ccccc1C)N(C)C=O ZINC000004322958 557541059 /nfs/dbraw/zinc/54/10/59/557541059.db2.gz PTJYLVLHNWLNJE-INIZCTEOSA-N 0 0 406.273 3.464 50 0 HGAARN CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(F)cc2)OC(N2CCCCC2)=N1 ZINC000004452586 557555727 /nfs/dbraw/zinc/55/57/27/557555727.db2.gz DQZJGNILYSVCSB-QGZVFWFLSA-N 0 0 401.360 3.266 50 0 HGAARN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(O)c3)C2=O)cc1 ZINC000004456540 557556041 /nfs/dbraw/zinc/55/60/41/557556041.db2.gz ROZDEAFQXAPPFW-LICLKQGHSA-N 0 0 414.439 3.084 50 0 HGAARN O=C(C[C@@]1(O)c2ccccc2N(CCc2ccccc2)C1=O)c1ccc2c(c1)OCO2 ZINC000004553480 557566287 /nfs/dbraw/zinc/56/62/87/557566287.db2.gz WECLRVHTLBFMSO-RUZDIDTESA-N 0 0 415.445 3.465 50 0 HGAARN Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)c(C)c1 ZINC000004591819 557570301 /nfs/dbraw/zinc/57/03/01/557570301.db2.gz FEPBIHQIMZOVIP-LJQANCHMSA-N 0 0 420.538 3.367 50 0 HGAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccco3)cc2)cc1 ZINC000004610426 557571774 /nfs/dbraw/zinc/57/17/74/557571774.db2.gz WILZAMJUTINMDQ-UHFFFAOYSA-N 0 0 400.408 3.395 50 0 HGAARN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)OC12CC3CC(CC(C3)C1)C2 ZINC000004687151 557581160 /nfs/dbraw/zinc/58/11/60/557581160.db2.gz WXRKJXBTAVRQIP-BZSISCHUSA-N 0 0 420.575 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557588631 /nfs/dbraw/zinc/58/86/31/557588631.db2.gz BUDLIDZOJDMOGI-FCHUYYIVSA-N 0 0 423.513 3.268 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000004735702 557589142 /nfs/dbraw/zinc/58/91/42/557589142.db2.gz PEXUHYJRKYGAGJ-INIZCTEOSA-N 0 0 409.471 3.101 50 0 HGAARN CCOc1ccc(N2C(=O)C[C@@H](SCCC(=O)NCc3ccccc3)C2=O)cc1 ZINC000004821280 557603142 /nfs/dbraw/zinc/60/31/42/557603142.db2.gz SCUIVVCHJPPQIB-LJQANCHMSA-N 0 0 412.511 3.157 50 0 HGAARN CCOC(=O)/C=C/c1cc(C(=O)OCC)c(/C=C/C(=O)OCC)cc1C(=O)OCC ZINC000004828964 557603939 /nfs/dbraw/zinc/60/39/39/557603939.db2.gz NZUKEAMZMPDLQH-WGDLNXRISA-N 0 0 418.442 3.193 50 0 HGAARN COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(C)cc2)cc1 ZINC000004833747 557604475 /nfs/dbraw/zinc/60/44/75/557604475.db2.gz LECMBOBJABEQBY-TXPKVOOTSA-N 0 0 408.376 3.108 50 0 HGAARN COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1OC ZINC000004844623 557605317 /nfs/dbraw/zinc/60/53/17/557605317.db2.gz BCEVKYHDRASJFI-UHFFFAOYSA-N 0 0 410.514 3.223 50 0 biogenic HGAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000004857481 557607134 /nfs/dbraw/zinc/60/71/34/557607134.db2.gz IGQVCAVSNVZUAM-CQSZACIVSA-N 0 0 408.907 3.388 50 0 HGAARN COc1cc(CNc2ccc(-c3nc4ncccc4o3)cc2)ccc1OCC(N)=O ZINC000004973792 557619036 /nfs/dbraw/zinc/61/90/36/557619036.db2.gz ILFQNZCXYNTANZ-UHFFFAOYSA-N 0 0 404.426 3.375 50 0 HGAARN CC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004977040 557619669 /nfs/dbraw/zinc/61/96/69/557619669.db2.gz UKPDEKPHFSTKBY-MRXNPFEDSA-N 0 0 408.951 3.488 50 0 HGAARN COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1ccc(OC(C)C)cc1 ZINC000004987005 557621226 /nfs/dbraw/zinc/62/12/26/557621226.db2.gz MUTILWBJMGIXTB-GOSISDBHSA-N 0 0 415.486 3.166 50 0 HGAARN CC1=Nc2ncnn2[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC[C@@H]1CCCO1 ZINC000004987204 557621316 /nfs/dbraw/zinc/62/13/16/557621316.db2.gz OKGHPWRKHUJLOL-LRDDRELGSA-N 0 0 408.380 3.308 50 0 HGAARN CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc1C ZINC000004998949 557623432 /nfs/dbraw/zinc/62/34/32/557623432.db2.gz SKLNXJZZFAYPCW-CQSZACIVSA-N 0 0 401.488 3.237 50 0 HGAARN COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000005012061 557625382 /nfs/dbraw/zinc/62/53/82/557625382.db2.gz FHTJTZGNOVIPDL-KYYPIKSYSA-N 0 0 414.889 3.415 50 0 HGAARN COc1ccc(C2=NO[C@H](C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1OC ZINC000005031253 557628146 /nfs/dbraw/zinc/62/81/46/557628146.db2.gz SWUONPCIYMNOLY-FQEVSTJZSA-N 0 0 406.442 3.330 50 0 aggregator HGAARN CCOC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(C)c3)c2=O)cc1 ZINC000005054807 557631721 /nfs/dbraw/zinc/63/17/21/557631721.db2.gz OKTQSCAELQHUCB-UHFFFAOYSA-N 0 0 406.438 3.215 50 0 HGAARN CC(C)Cc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)[nH]n1 ZINC000097358361 557644240 /nfs/dbraw/zinc/64/42/40/557644240.db2.gz PMKQDJKOXNZSCI-UHFFFAOYSA-N 0 0 411.369 3.390 50 0 HGAARN COc1ccc(OC)c([C@H]2N=C(Nc3ccc(F)cc3)Nc3nc(C)cc(=O)n32)c1 ZINC000005451247 557654663 /nfs/dbraw/zinc/65/46/63/557654663.db2.gz SWCFFLVYXURXLA-IBGZPJMESA-N 0 0 409.421 3.149 50 0 HGAARN COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(N)=O)cc1 ZINC000005477838 557655846 /nfs/dbraw/zinc/65/58/46/557655846.db2.gz VSBGRNIOESHUEO-UHFFFAOYSA-N 0 0 404.879 3.086 50 0 HGAARN Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NC4CCC(C)CC4)n3)n2)cc1C ZINC000033292528 557675992 /nfs/dbraw/zinc/67/59/92/557675992.db2.gz JMHZPYWCJZEGHK-UHFFFAOYSA-N 0 0 421.501 3.267 50 0 HGAARN CCOC(=O)[C@@](NC(=O)NCc1cccc(C(F)(F)F)c1)(OCC)C(F)(F)F ZINC000002273725 557681532 /nfs/dbraw/zinc/68/15/32/557681532.db2.gz GBOSQCSVIWCVHN-CQSZACIVSA-N 0 0 416.318 3.363 50 0 HGAARN CCOC(=O)c1c(NC(=O)C(F)(F)C(F)F)c(-c2ccc3c(c2)OCO3)cn1C ZINC000022664859 557713857 /nfs/dbraw/zinc/71/38/57/557713857.db2.gz KTEJISDKPMDGCG-UHFFFAOYSA-N 0 0 416.327 3.436 50 0 HGAARN COc1cc2nc(NCc3cccnc3)n3nc(-c4cccnc4)nc3c2cc1OC ZINC000006803056 557721978 /nfs/dbraw/zinc/72/19/78/557721978.db2.gz RWUZXBQOIHULIL-UHFFFAOYSA-N 0 0 413.441 3.364 50 0 HGAARN COc1ccccc1/C=C/C(=O)N1CCN(C(=O)/C=C/c2ccccc2OC)CC1 ZINC000006848742 557726661 /nfs/dbraw/zinc/72/66/61/557726661.db2.gz ZZMNBZWODDONPM-PHEQNACWSA-N 0 0 406.482 3.101 50 0 HGAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)cc(Br)c1OC ZINC000006849219 557726851 /nfs/dbraw/zinc/72/68/51/557726851.db2.gz SSMLPGTXZUDWEH-GFCCVEGCSA-N 0 0 403.660 3.254 50 0 HGAARN Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC(C)C)CC3=O)cc2)c1 ZINC000007109731 557735249 /nfs/dbraw/zinc/73/52/49/557735249.db2.gz GAHQRTXQEQQFOG-SFHVURJKSA-N 0 0 423.513 3.138 50 0 HGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1 ZINC000002711472 557745140 /nfs/dbraw/zinc/74/51/40/557745140.db2.gz KCBALDUYHWZMOP-AWEZNQCLSA-N 0 0 403.529 3.500 50 0 HGAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002721117 557747387 /nfs/dbraw/zinc/74/73/87/557747387.db2.gz AHNIAWGQHKFCNN-UHFFFAOYSA-N 0 0 417.556 3.249 50 0 HGAARN COc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc21 ZINC000002723908 557748876 /nfs/dbraw/zinc/74/88/76/557748876.db2.gz RAMZHJAGLSPGGC-UHFFFAOYSA-N 0 0 405.501 3.116 50 0 HGAARN CCN1CCc2c(OCC(=O)Nc3ccc(Br)cc3)cccc2C1=O ZINC000002716299 557750332 /nfs/dbraw/zinc/75/03/32/557750332.db2.gz OOMJVUXIMXPTJG-UHFFFAOYSA-N 0 0 403.276 3.485 50 0 HGAARN CCc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000007940051 557767935 /nfs/dbraw/zinc/76/79/35/557767935.db2.gz WUGZSRKDMDJYHX-UHFFFAOYSA-N 0 0 409.891 3.248 50 0 HGAARN O=C(NCc1nnnn1-c1cccc(F)c1)C1c2ccccc2Oc2ccccc21 ZINC000010593688 557772500 /nfs/dbraw/zinc/77/25/00/557772500.db2.gz FHBFGVMTEFENHZ-UHFFFAOYSA-N 0 0 401.401 3.355 50 0 HGAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)cc1)CS(=O)(=O)C2 ZINC000003008397 557778096 /nfs/dbraw/zinc/77/80/96/557778096.db2.gz IPNACJPIFUFEGG-UHFFFAOYSA-N 0 0 412.309 3.081 50 0 HGAARN O=C(Cn1cc(C(=O)C(=O)NCCC2=CCCCC2)c2ccccc21)N1CCCC1 ZINC000003007617 557781162 /nfs/dbraw/zinc/78/11/62/557781162.db2.gz BZUYMOPQFQIIFU-UHFFFAOYSA-N 0 0 407.514 3.453 50 0 HGAARN Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(C)c(C)c3)n(C)c2=O)c1 ZINC000003015919 557783657 /nfs/dbraw/zinc/78/36/57/557783657.db2.gz PPBYOUKIZKUQMG-UHFFFAOYSA-N 0 0 415.497 3.022 50 0 HGAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000008714856 557800823 /nfs/dbraw/zinc/80/08/23/557800823.db2.gz ZAWPFFWQYUIMPB-UHFFFAOYSA-N 0 0 403.287 3.042 50 0 HGAARN COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(OC)c(C)cc3OC)c2c1 ZINC000008714987 557801138 /nfs/dbraw/zinc/80/11/38/557801138.db2.gz CIDDLROQBICKJS-UHFFFAOYSA-N 0 0 418.515 3.332 50 0 HGAARN Cc1c(N(C(=O)c2cc(=O)[nH]c3ccccc32)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000008772741 557806767 /nfs/dbraw/zinc/80/67/67/557806767.db2.gz LTBFPVXAJFWSOG-UHFFFAOYSA-N 0 0 416.481 3.381 50 0 HGAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1c(F)cccc1F ZINC000022732424 557806966 /nfs/dbraw/zinc/80/69/66/557806966.db2.gz VNYZANYJAATVPT-ZDUSSCGKSA-N 0 0 414.499 3.276 50 0 HGAARN COc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C ZINC000008774881 557807165 /nfs/dbraw/zinc/80/71/65/557807165.db2.gz BVXORKOEHOGJNG-LJQANCHMSA-N 0 0 415.515 3.400 50 0 HGAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000008779633 557808258 /nfs/dbraw/zinc/80/82/58/557808258.db2.gz FDLQKBKMVAFPKY-WPNIOXTASA-N 0 0 424.909 3.062 50 0 HGAARN COc1cc(CN(C[C@H]2CCCO2)C(=O)COc2ccccc2)cc(OC)c1OC ZINC000008869927 557812562 /nfs/dbraw/zinc/81/25/62/557812562.db2.gz UPSKXJDGEFJEPX-LJQANCHMSA-N 0 0 415.486 3.299 50 0 HGAARN COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)c1OC ZINC000009012743 557819057 /nfs/dbraw/zinc/81/90/57/557819057.db2.gz VEGJKYNZYWPAIX-QGZVFWFLSA-N 0 0 401.463 3.274 50 0 HGAARN COc1ccccc1[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H]3CCCO3)c2N1 ZINC000009059510 557820974 /nfs/dbraw/zinc/82/09/74/557820974.db2.gz YBFDBWQYYDGDSB-YLQAJVPDSA-N 0 0 424.423 3.461 50 0 HGAARN CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccnc1 ZINC000009225889 557830194 /nfs/dbraw/zinc/83/01/94/557830194.db2.gz NWXMVYAWCZDTEW-UHFFFAOYSA-N 0 0 411.487 3.456 50 0 HGAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2=O)cc1 ZINC000009226239 557830356 /nfs/dbraw/zinc/83/03/56/557830356.db2.gz QXFBDPZLODGPDV-QGZVFWFLSA-N 0 0 423.513 3.463 50 0 HGAARN C[C@@H](Oc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)c1ccccc1 ZINC000022852822 557839942 /nfs/dbraw/zinc/83/99/42/557839942.db2.gz DUYVAOFJICIYIK-QGZVFWFLSA-N 0 0 408.454 3.331 50 0 HGAARN O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009525747 557844644 /nfs/dbraw/zinc/84/46/44/557844644.db2.gz YISJDWXIOAZCNV-FKFWPICOSA-N 0 0 417.767 3.038 50 0 HGAARN COc1cccc(N2C[C@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)c1 ZINC000009614745 557847074 /nfs/dbraw/zinc/84/70/74/557847074.db2.gz NVIVJMNBSMGMIB-MRXNPFEDSA-N 0 0 422.510 3.324 50 0 HGAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2cccc(F)c2)c1 ZINC000009661591 557847621 /nfs/dbraw/zinc/84/76/21/557847621.db2.gz URRKIWSECCUADD-UHFFFAOYSA-N 0 0 406.417 3.177 50 0 HGAARN O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000009698668 557848748 /nfs/dbraw/zinc/84/87/48/557848748.db2.gz IERRIMFUYVIJTE-UHFFFAOYSA-N 0 0 400.500 3.162 50 0 HGAARN COC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n(CCc1c[nH]cn1)c2=O ZINC000009972240 557852810 /nfs/dbraw/zinc/85/28/10/557852810.db2.gz FCVJBGXCGGAIJJ-UHFFFAOYSA-N 0 0 420.494 3.441 50 0 HGAARN CC(=O)Nc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2c1 ZINC000004325486 557857378 /nfs/dbraw/zinc/85/73/78/557857378.db2.gz LXDUZAICBNMLFC-UHFFFAOYSA-N 0 0 403.485 3.057 50 0 HGAARN C[C@H]1Cc2cc(C(=O)NCc3cccnc3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325051 557859901 /nfs/dbraw/zinc/85/99/01/557859901.db2.gz QZMPHOMVOFQREW-INIZCTEOSA-N 0 0 407.495 3.152 50 0 HGAARN CCOc1ccccc1NC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 ZINC000004327704 558259907 /nfs/dbraw/zinc/25/99/07/558259907.db2.gz RPZQPMVTCMSACG-UHFFFAOYSA-N 0 0 406.471 3.316 50 0 HGAARN O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NCc1ccccc1Cl ZINC000004328089 558260127 /nfs/dbraw/zinc/26/01/27/558260127.db2.gz ALZOYOJNFUTPEM-UHFFFAOYSA-N 0 0 410.890 3.248 50 0 HGAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004328063 558260146 /nfs/dbraw/zinc/26/01/46/558260146.db2.gz WFDPQRSKBQMABU-UHFFFAOYSA-N 0 0 418.921 3.463 50 0 HGAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1nc(N)n[nH]1 ZINC000010715807 558260250 /nfs/dbraw/zinc/26/02/50/558260250.db2.gz YSMOCRCIFAGFSN-UHFFFAOYSA-N 0 0 421.479 3.162 50 0 HGAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000004330256 558260985 /nfs/dbraw/zinc/26/09/85/558260985.db2.gz PLPGVXWRAMYKBV-UHFFFAOYSA-N 0 0 407.451 3.213 50 0 HGAARN CCc1ccc(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)cc1 ZINC000004330099 558261212 /nfs/dbraw/zinc/26/12/12/558261212.db2.gz CKGVKUPORHMRDH-UHFFFAOYSA-N 0 0 420.538 3.469 50 0 HGAARN O=C(CCc1ccc(=O)[nH]n1)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000019744887 558265460 /nfs/dbraw/zinc/26/54/60/558265460.db2.gz GQHLJXADHLSVPY-GOSISDBHSA-N 0 0 415.493 3.076 50 0 HGAARN O=C(NCc1c[nH]nc1-c1ccc(F)cc1)c1cn(CCCc2ccccc2)nn1 ZINC000011664761 558268361 /nfs/dbraw/zinc/26/83/61/558268361.db2.gz AVIKICNDKCLGHE-UHFFFAOYSA-N 0 0 404.449 3.370 50 0 HGAARN 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3.107 50 0 HGAARN C[C@H](CCc1ccccc1)NC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032987669 558807517 /nfs/dbraw/zinc/80/75/17/558807517.db2.gz XZRQBTVXNBNKHE-MRXNPFEDSA-N 0 0 424.526 3.445 50 0 HGAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)N3CCC(C)CC3)s2)cc1 ZINC000032987774 558807618 /nfs/dbraw/zinc/80/76/18/558807618.db2.gz HZXMKDDIZRFCBE-UHFFFAOYSA-N 0 0 402.520 3.380 50 0 HGAARN Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CCN(Cc1ccccn1)C2 ZINC000071890447 558808023 /nfs/dbraw/zinc/80/80/23/558808023.db2.gz JXCXYRONZVHCAG-UHFFFAOYSA-N 0 0 416.529 3.155 50 0 HGAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000032991030 558809152 /nfs/dbraw/zinc/80/91/52/558809152.db2.gz QDYMWKWAFKTQPU-SGTLLEGYSA-N 0 0 423.494 3.115 50 0 HGAARN COCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc3c(c2)OCO3)n1 ZINC000016942741 558809468 /nfs/dbraw/zinc/80/94/68/558809468.db2.gz ANHVMUYMVOJHGC-UHFFFAOYSA-N 0 0 404.430 3.346 50 0 HGAARN N=c1oc2ccc(Br)cc2cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000017082120 558814213 /nfs/dbraw/zinc/81/42/13/558814213.db2.gz UJZXSTIGVIKEJF-UHFFFAOYSA-N 0 0 401.216 3.333 50 0 HGAARN COc1cc(NC(=O)CN2CCN(c3ccccc3C)CC2)c(OC)cc1Cl ZINC000017082771 558814940 /nfs/dbraw/zinc/81/49/40/558814940.db2.gz NUTIRNGBAJJAIZ-UHFFFAOYSA-N 0 0 403.910 3.426 50 0 HGAARN COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000039444934 558821342 /nfs/dbraw/zinc/82/13/42/558821342.db2.gz JWNOSQZWGPOTLD-OAQYLSRUSA-N 0 0 419.481 3.181 50 0 HGAARN COc1cccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325456 558828116 /nfs/dbraw/zinc/82/81/16/558828116.db2.gz FCWPOSRDQCAGHJ-AWEZNQCLSA-N 0 0 417.512 3.232 50 0 HGAARN CCCc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)s1 ZINC000033011149 558830494 /nfs/dbraw/zinc/83/04/94/558830494.db2.gz OOCGVJYRZINBFG-UHFFFAOYSA-N 0 0 424.482 3.402 50 0 HGAARN Cc1sc2nc(C)nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c2c1C ZINC000033010745 558830665 /nfs/dbraw/zinc/83/06/65/558830665.db2.gz CWYLMMURJQRAGG-GOSISDBHSA-N 0 0 424.526 3.105 50 0 HGAARN COc1ccc(-c2noc(COc3ccccc3C(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000033012970 558832702 /nfs/dbraw/zinc/83/27/02/558832702.db2.gz ZKNQMWLDOCYWBE-QGZVFWFLSA-N 0 0 409.442 3.233 50 0 HGAARN CCc1nc(-c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2OC)no1 ZINC000033013372 558832933 /nfs/dbraw/zinc/83/29/33/558832933.db2.gz ZVFXNYHLWWXYAS-UHFFFAOYSA-N 0 0 407.879 3.440 50 0 HGAARN CCc1nc(-c2cc(S(=O)(=O)N(C)Cc3ccc(OC)cc3)ccc2OC)no1 ZINC000033013365 558832968 /nfs/dbraw/zinc/83/29/68/558832968.db2.gz IDQQLSYZEJDJLQ-UHFFFAOYSA-N 0 0 417.487 3.137 50 0 HGAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000018250352 558834685 /nfs/dbraw/zinc/83/46/85/558834685.db2.gz OVIKOAWBKOLPSA-QFIPXVFZSA-N 0 0 420.509 3.450 50 0 HGAARN O=C(CNc1ccc(Br)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011113340 558835712 /nfs/dbraw/zinc/83/57/12/558835712.db2.gz LBRZCWZUSGJGQI-QGZVFWFLSA-N 0 0 423.332 3.081 50 0 HGAARN CCCSCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000033020684 558836719 /nfs/dbraw/zinc/83/67/19/558836719.db2.gz ANVLDPXODKWOAM-UHFFFAOYSA-N 0 0 404.985 3.388 50 0 HGAARN CC(=O)n1cc(C=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000001196098 558837086 /nfs/dbraw/zinc/83/70/86/558837086.db2.gz SKHOKLODPPYDDO-WOJGMQOQSA-N 0 0 403.463 3.128 50 0 HGAARN C[C@H](CC(=O)Nc1cccc(F)c1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005437 558838651 /nfs/dbraw/zinc/83/86/51/558838651.db2.gz VIUWYGWNHQIEQY-AWEZNQCLSA-N 0 0 423.423 3.366 50 0 HGAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000046006596 558838887 /nfs/dbraw/zinc/83/88/87/558838887.db2.gz DJGBVEHRVLKUFC-SFHVURJKSA-N 0 0 408.502 3.274 50 0 HGAARN Cc1nc2c3cccnc3sc2c(=O)n1CC(=O)NCCc1ccc(Cl)cc1 ZINC000046153713 558840219 /nfs/dbraw/zinc/84/02/19/558840219.db2.gz NYENIFGCLSRLEI-UHFFFAOYSA-N 0 0 412.902 3.327 50 0 HGAARN Cc1ccc(CNC(=O)c2nnc(CSCC(=O)Nc3ccccn3)s2)cc1 ZINC000072313678 558840887 /nfs/dbraw/zinc/84/08/87/558840887.db2.gz IJRRZNQPJTXZRI-UHFFFAOYSA-N 0 0 413.528 3.043 50 0 HGAARN Cc1cnc(-n2ncc(C(=O)N[C@H]3CCOC3)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000019110726 558841509 /nfs/dbraw/zinc/84/15/09/558841509.db2.gz DLTSWMNYSUZUEF-KRWDZBQOSA-N 0 0 409.465 3.419 50 0 HGAARN COCCn1c2cnccc2nc1[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC000065292970 558841798 /nfs/dbraw/zinc/84/17/98/558841798.db2.gz SAPJOJSIYYRAJG-CQSZACIVSA-N 0 0 414.893 3.369 50 0 HGAARN CCOC(CCn1c(SCC(=O)N[C@H](C)CC)nc2ccccc2c1=O)OCC ZINC000004601832 558842560 /nfs/dbraw/zinc/84/25/60/558842560.db2.gz HDSQFAVTEOVWND-OAHLLOKOSA-N 0 0 421.563 3.193 50 0 HGAARN CCN(CC)C(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000048017054 558842830 /nfs/dbraw/zinc/84/28/30/558842830.db2.gz OKQFJBWECXFGIC-UHFFFAOYSA-N 0 0 406.958 3.162 50 0 HGAARN Cc1oc(-c2cccs2)nc1C[S@@](=O)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000013574609 558844065 /nfs/dbraw/zinc/84/40/65/558844065.db2.gz WMTHZVYKDUSXAP-NDEPHWFRSA-N 0 0 418.496 3.005 50 0 HGAARN Cc1cccn2c(CN3CCC(CO)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019147874 558846793 /nfs/dbraw/zinc/84/67/93/558846793.db2.gz CUGNKOSHKJGLED-UHFFFAOYSA-N 0 0 420.557 3.162 50 0 HGAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000019167141 558847186 /nfs/dbraw/zinc/84/71/86/558847186.db2.gz FKESPDMCVYWJEE-AQNXPRMDSA-N 0 0 411.889 3.274 50 0 HGAARN CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccccc3Br)ccc21 ZINC000013610202 558847331 /nfs/dbraw/zinc/84/73/31/558847331.db2.gz RDSDHOCECWWQKC-UHFFFAOYSA-N 0 0 409.305 3.414 50 0 HGAARN CCS(=O)(=O)N1CCc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc21 ZINC000013610283 558847355 /nfs/dbraw/zinc/84/73/55/558847355.db2.gz QKRJAOQKLJSZHH-UHFFFAOYSA-N 0 0 412.555 3.494 50 0 HGAARN CCn1nnc2cc(C(=O)OCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)ccc21 ZINC000005805239 558850881 /nfs/dbraw/zinc/85/08/81/558850881.db2.gz VGVNMHVTINLPIP-UHFFFAOYSA-N 0 0 418.457 3.049 50 0 HGAARN O=C(COc1ccc(Br)cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000033027846 558851292 /nfs/dbraw/zinc/85/12/92/558851292.db2.gz SPULSCVQQSOICN-SWLSCSKDSA-N 0 0 421.213 3.467 50 0 HGAARN Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)nn1 ZINC000013663859 558851912 /nfs/dbraw/zinc/85/19/12/558851912.db2.gz HCEVRXRZRQTNOT-UHFFFAOYSA-N 0 0 400.529 3.024 50 0 HGAARN CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@@H](O)C[C@@H]1O ZINC000052509427 558859519 /nfs/dbraw/zinc/85/95/19/558859519.db2.gz AQOKCDNYWBIDND-AWSQDYKHSA-N 0 0 415.574 3.147 50 0 HGAARN C[C@H]1c2cccn2CCN1C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000067982686 558862448 /nfs/dbraw/zinc/86/24/48/558862448.db2.gz GVOUSXXJSZLKMR-IBGZPJMESA-N 0 0 419.529 3.011 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCCn1cnc2ccccc2c1=O)CC3 ZINC000072326017 558862774 /nfs/dbraw/zinc/86/27/74/558862774.db2.gz JXOSSZUCOUFPAH-UHFFFAOYSA-N 0 0 416.481 3.252 50 0 biogenic HGAARN O=C(c1c[nH]nc1-c1cccc(Br)c1)N1CCN(c2ccccn2)CC1 ZINC000072328698 558864189 /nfs/dbraw/zinc/86/41/89/558864189.db2.gz TVAAQYUGFUHSNX-UHFFFAOYSA-N 0 0 412.291 3.197 50 0 HGAARN CCOc1cc(CNC(=O)c2c[nH]nc2-c2ccc(OC)c(OC)c2)ccc1OC ZINC000072329302 558864712 /nfs/dbraw/zinc/86/47/12/558864712.db2.gz PANSDULRRIYVSZ-UHFFFAOYSA-N 0 0 411.458 3.431 50 0 HGAARN COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccccc2Br)c1 ZINC000072330827 558865840 /nfs/dbraw/zinc/86/58/40/558865840.db2.gz BMBOEHMUNRZROK-MDZDMXLPSA-N 0 0 404.260 3.331 50 0 HGAARN O=C(CN1CCN(C(=S)NC2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000054254391 558866954 /nfs/dbraw/zinc/86/69/54/558866954.db2.gz IYFSXJNYAKZJIM-UHFFFAOYSA-N 0 0 415.390 3.367 50 0 HGAARN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)sc2[nH]cnc(=O)c12 ZINC000033073527 558867329 /nfs/dbraw/zinc/86/73/29/558867329.db2.gz OTVSPINVWYWTAU-UHFFFAOYSA-N 0 0 424.526 3.401 50 0 HGAARN CCC12CN3CC(C)(CN(C1)C31c3ccccc3N(Cc3ccccc3)C1=O)C2=O ZINC000019323512 558867519 /nfs/dbraw/zinc/86/75/19/558867519.db2.gz SNYRKOMYSHUCNQ-UHFFFAOYSA-N 0 0 401.510 3.003 50 0 biogenic HGAARN CCOc1ccc(C(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 ZINC000033039872 558868989 /nfs/dbraw/zinc/86/89/89/558868989.db2.gz SZVIGKZFIJDUOP-UHFFFAOYSA-N 0 0 424.478 3.377 50 0 HGAARN Cc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000055035778 558869821 /nfs/dbraw/zinc/86/98/21/558869821.db2.gz QVGPLURRDKGYDC-UHFFFAOYSA-N 0 0 410.547 3.174 50 0 HGAARN COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1CC2 ZINC000019338316 558870491 /nfs/dbraw/zinc/87/04/91/558870491.db2.gz MUHZDPLHUXHUGL-UHFFFAOYSA-N 0 0 409.486 3.351 50 0 HGAARN COC(=O)[C@H]1CCCCN1Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000055053485 558870850 /nfs/dbraw/zinc/87/08/50/558870850.db2.gz SNHAJBLDYQBGTN-LJQANCHMSA-N 0 0 420.513 3.134 50 0 HGAARN CC[C@H](C)NC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(OC)cc3)s2)C1 ZINC000033113162 558875133 /nfs/dbraw/zinc/87/51/33/558875133.db2.gz BVVKPHBTLNPRFM-KBPBESRZSA-N 0 0 417.535 3.487 50 0 HGAARN CN(C)C(=O)c1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000033114350 558876299 /nfs/dbraw/zinc/87/62/99/558876299.db2.gz DHLBSEQCIGUKAV-UHFFFAOYSA-N 0 0 418.425 3.349 50 0 HGAARN Cc1nc(COc2ccc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc2)cs1 ZINC000019363820 558876563 /nfs/dbraw/zinc/87/65/63/558876563.db2.gz MENHOTLQYQOTAK-UHFFFAOYSA-N 0 0 422.462 3.484 50 0 HGAARN COCCn1c(CN2CCC[C@@H]2c2ccccn2)cnc1S(=O)(=O)CC(C)(C)C ZINC000055254902 558877623 /nfs/dbraw/zinc/87/76/23/558877623.db2.gz AAIYYWZPCWZIMZ-LJQANCHMSA-N 0 0 420.579 3.081 50 0 HGAARN C[C@@H](NC(=O)CCN1N=C(c2ccccc2)CCC1=O)c1ccc2c(c1)OCCO2 ZINC000004668176 558878062 /nfs/dbraw/zinc/87/80/62/558878062.db2.gz AGJFUMBSBFDZMF-MRXNPFEDSA-N 0 0 407.470 3.052 50 0 HGAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000004668432 558878488 /nfs/dbraw/zinc/87/84/88/558878488.db2.gz CHTBODUEMUDOKO-KKSFZXQISA-N 0 0 416.543 3.482 50 0 HGAARN Cc1ccc(C)c(NC(=O)CC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)c1 ZINC000055369120 558880422 /nfs/dbraw/zinc/88/04/22/558880422.db2.gz MPSJKMHRXHUQIN-UHFFFAOYSA-N 0 0 409.534 3.356 50 0 HGAARN COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc1 ZINC000033128284 558881958 /nfs/dbraw/zinc/88/19/58/558881958.db2.gz CCUXNPPJDZDNIH-MRXNPFEDSA-N 0 0 409.511 3.347 50 0 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Cc1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)cc1 ZINC000049008651 568445339 /nfs/dbraw/zinc/44/53/39/568445339.db2.gz GIRPTZPELAQZCU-UHFFFAOYSA-N 0 0 403.442 3.247 50 0 HGAARN COc1ccc(OCc2noc(CNC(=O)CSc3ccc(F)cc3)n2)cc1 ZINC000049027156 568445590 /nfs/dbraw/zinc/44/55/90/568445590.db2.gz QMXWFFZYZKUXJS-UHFFFAOYSA-N 0 0 403.435 3.205 50 0 HGAARN O=C(Cn1cnc(-c2cccs2)cc1=O)NCc1ccccc1OC(F)(F)F ZINC000049028361 568445618 /nfs/dbraw/zinc/44/56/18/568445618.db2.gz JFTLTJUOTYBIBZ-UHFFFAOYSA-N 0 0 409.389 3.187 50 0 HGAARN O=C(NCCOc1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 ZINC000049371922 568447136 /nfs/dbraw/zinc/44/71/36/568447136.db2.gz XGVXKHKTHVCOJN-INIZCTEOSA-N 0 0 410.449 3.287 50 0 HGAARN Cn1c(CN2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)nc2ccccc21 ZINC000049372093 568447224 /nfs/dbraw/zinc/44/72/24/568447224.db2.gz ORNGSCPWQINJRK-UHFFFAOYSA-N 0 0 418.476 3.061 50 0 HGAARN Cc1ccc(-c2ccc3nn(Cc4ccc(N5CCCC5=O)cc4)c(=O)n3n2)cc1C ZINC000049399411 568447385 /nfs/dbraw/zinc/44/73/85/568447385.db2.gz UDQXIMPHEKPKRG-UHFFFAOYSA-N 0 0 413.481 3.350 50 0 HGAARN Cc1ccc(-c2nc(C)cc3nn(CC(=O)Nc4c(C)cccc4C)c(=O)n32)cc1 ZINC000049401373 568447772 /nfs/dbraw/zinc/44/77/72/568447772.db2.gz YVPRLDCWVJLJRR-UHFFFAOYSA-N 0 0 401.470 3.430 50 0 HGAARN O=C(C1=NN(Cc2ccccc2Cl)c2ccccc2S1(=O)=O)N1CCCC1 ZINC000049402499 568448015 /nfs/dbraw/zinc/44/80/15/568448015.db2.gz KDKVPDDMXDCBLM-UHFFFAOYSA-N 0 0 403.891 3.070 50 0 HGAARN O=C(C1=NN(Cc2cccc(F)c2)c2ccccc2S1(=O)=O)N1CCCCCC1 ZINC000049402583 568448065 /nfs/dbraw/zinc/44/80/65/568448065.db2.gz DMUYKYVCLMCBQQ-UHFFFAOYSA-N 0 0 415.490 3.336 50 0 HGAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)nn2)cc1 ZINC000049406005 568448805 /nfs/dbraw/zinc/44/88/05/568448805.db2.gz WVLGSVHYKJYFSD-UHFFFAOYSA-N 0 0 423.904 3.264 50 0 HGAARN O=C(CC1CCCCC1)NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000049406067 568448811 /nfs/dbraw/zinc/44/88/11/568448811.db2.gz CUPMXZGKQRGXTL-UHFFFAOYSA-N 0 0 413.497 3.098 50 0 HGAARN Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)c1 ZINC000049406415 568448920 /nfs/dbraw/zinc/44/89/20/568448920.db2.gz LJPHZAHXFHEFPR-UHFFFAOYSA-N 0 0 417.513 3.227 50 0 HGAARN Cc1cc(C)cc(-n2ccn(Cc3nc(-c4ccc(Cl)cc4)no3)c(=O)c2=O)c1 ZINC000049407725 568449164 /nfs/dbraw/zinc/44/91/64/568449164.db2.gz FAUXILQIGSTVPH-UHFFFAOYSA-N 0 0 408.845 3.368 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3ccccc3F)c(=O)n2c(-c2cccc(Cl)c2)n1 ZINC000049407091 568449170 /nfs/dbraw/zinc/44/91/70/568449170.db2.gz LBLDKLQFSUPZPV-UHFFFAOYSA-N 0 0 411.824 3.298 50 0 HGAARN COc1cccc(CN(c2cccc(OC)c2)S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000049408280 568449378 /nfs/dbraw/zinc/44/93/78/568449378.db2.gz RCGZVPMSVHFAKJ-UHFFFAOYSA-N 0 0 424.482 3.142 50 0 HGAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@H]2c1ccccc1OC ZINC000049548360 568451667 /nfs/dbraw/zinc/45/16/67/568451667.db2.gz KVDMFEOJVURMGL-INIZCTEOSA-N 0 0 424.478 3.292 50 0 HGAARN COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccccc1 ZINC000049548962 568451684 /nfs/dbraw/zinc/45/16/84/568451684.db2.gz ULFWBGGTNUCTHX-INIZCTEOSA-N 0 0 412.442 3.422 50 0 HGAARN Cc1c(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cnn1-c1ccccc1 ZINC000049504043 568452139 /nfs/dbraw/zinc/45/21/39/568452139.db2.gz BFEZKSRKRBLONS-UHFFFAOYSA-N 0 0 410.499 3.281 50 0 HGAARN COc1ccc(C(C)=O)cc1COC(=O)CCNC(=O)CCC(=O)c1cccs1 ZINC000049574811 568452222 /nfs/dbraw/zinc/45/22/22/568452222.db2.gz LZTIZGYPAGEGPW-UHFFFAOYSA-N 0 0 417.483 3.172 50 0 HGAARN Cc1nc(-c2ccccc2)cc(N2CCN(CC(=O)Nc3ccccc3F)CC2)n1 ZINC000049597432 568452602 /nfs/dbraw/zinc/45/26/02/568452602.db2.gz HFVKWXQGXWRMMX-UHFFFAOYSA-N 0 0 405.477 3.352 50 0 HGAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC000049940871 568453486 /nfs/dbraw/zinc/45/34/86/568453486.db2.gz DHFRPHYDUIYEFM-MRXNPFEDSA-N 0 0 407.470 3.280 50 0 HGAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)s1 ZINC000049958533 568453633 /nfs/dbraw/zinc/45/36/33/568453633.db2.gz DREHKUFZSZSMER-AWEZNQCLSA-N 0 0 413.312 3.453 50 0 HGAARN Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2)ccc1Br ZINC000000625659 568456003 /nfs/dbraw/zinc/45/60/03/568456003.db2.gz BMDNSXXGUYHUAC-UHFFFAOYSA-N 0 0 404.293 3.464 50 0 HGAARN COc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000000630581 568456336 /nfs/dbraw/zinc/45/63/36/568456336.db2.gz GOEYLENNBCAGMV-UHFFFAOYSA-N 0 0 422.812 3.284 50 0 HGAARN C[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@@H](C)O1 ZINC000000630916 568456486 /nfs/dbraw/zinc/45/64/86/568456486.db2.gz GLYJPZCURRXREL-HUUCEWRRSA-N 0 0 422.934 3.068 50 0 HGAARN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1C ZINC000024747320 568460930 /nfs/dbraw/zinc/46/09/30/568460930.db2.gz GALGKNCQDJBMHV-UHFFFAOYSA-N 0 0 400.422 3.031 50 0 HGAARN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)NCCc1ccccc1 ZINC000000686674 568461925 /nfs/dbraw/zinc/46/19/25/568461925.db2.gz JBIXDIAWRRFWLW-UHFFFAOYSA-N 0 0 410.543 3.348 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)c1 ZINC000012296939 568462541 /nfs/dbraw/zinc/46/25/41/568462541.db2.gz XISRNGRHICQDTM-UHFFFAOYSA-N 0 0 419.485 3.223 50 0 biogenic HGAARN CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc3c2nc2n3CCCCC2)cc1 ZINC000006899622 568463358 /nfs/dbraw/zinc/46/33/58/568463358.db2.gz PZRGADXIEJZQOW-UHFFFAOYSA-N 0 0 414.535 3.327 50 0 HGAARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000000725014 568467115 /nfs/dbraw/zinc/46/71/15/568467115.db2.gz IAJKCEUJIZADFJ-UHFFFAOYSA-N 0 0 409.511 3.174 50 0 HGAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C2CC2)cc1 ZINC000000741611 568470511 /nfs/dbraw/zinc/47/05/11/568470511.db2.gz HGHYIOXDXVLZTQ-NRFANRHFSA-N 0 0 412.486 3.101 50 0 HGAARN COc1cccc2cc(-c3ccc(OCC(=O)N4CCC(=O)CC4)cc3)c(=O)oc21 ZINC000012321063 568470646 /nfs/dbraw/zinc/47/06/46/568470646.db2.gz NSTFKQDRBAQQAX-UHFFFAOYSA-N 0 0 407.422 3.039 50 0 HGAARN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000007058354 568470649 /nfs/dbraw/zinc/47/06/49/568470649.db2.gz CCVAXZSBHZGVNK-SJLPKXTDSA-N 0 0 414.889 3.148 50 0 HGAARN O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2cccc3[nH]ccc32)N1Cc1ccncc1 ZINC000012324393 568471475 /nfs/dbraw/zinc/47/14/75/568471475.db2.gz HZAFWFNMXRZYHZ-GMAHTHKFSA-N 0 0 419.506 3.412 50 0 HGAARN COCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000012323729 568471528 /nfs/dbraw/zinc/47/15/28/568471528.db2.gz HHWXSSLFUGGEND-NRFANRHFSA-N 0 0 421.453 3.064 50 0 HGAARN CCCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c21)[C@@H]1CCS(=O)(=O)C1 ZINC000022316636 568484361 /nfs/dbraw/zinc/48/43/61/568484361.db2.gz SBVXJZNAZMVXPD-MRXNPFEDSA-N 0 0 413.499 3.238 50 0 HGAARN Cc1ccc(OCc2nnc(SCC(=O)N3CCCc4ccccc43)n2N)c(C)c1 ZINC000007934345 568486126 /nfs/dbraw/zinc/48/61/26/568486126.db2.gz VZGDJZZRSMVTFB-UHFFFAOYSA-N 0 0 423.542 3.259 50 0 HGAARN Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c(C)c1 ZINC000000807131 568487894 /nfs/dbraw/zinc/48/78/94/568487894.db2.gz NCIMSAJESGWHQY-UHFFFAOYSA-N 0 0 401.470 3.455 50 0 HGAARN CCOc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)C(C)C ZINC000008072935 568490130 /nfs/dbraw/zinc/49/01/30/568490130.db2.gz GDXGKDPHGCWQOL-NRFANRHFSA-N 0 0 412.486 3.227 50 0 HGAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)N1CCc2ccccc2C1 ZINC000604419525 568493167 /nfs/dbraw/zinc/49/31/67/568493167.db2.gz CSCHRWHXEHSLFO-DEOSSOPVSA-N 0 0 423.472 3.386 50 0 HGAARN COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000812334 568494726 /nfs/dbraw/zinc/49/47/26/568494726.db2.gz YSOLEAZZFYZMOG-UHFFFAOYSA-N 0 0 406.479 3.042 50 0 HGAARN O=C(Nc1ccc(F)cc1)c1nnc(CN2CCN(Cc3ccccc3)CC2)s1 ZINC000022892719 568500312 /nfs/dbraw/zinc/50/03/12/568500312.db2.gz OZGLPVMQTKQQNG-UHFFFAOYSA-N 0 0 411.506 3.247 50 0 HGAARN CC[C@@H]1CCc2sc(-c3nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n3C)cc2C1 ZINC000005776380 568505364 /nfs/dbraw/zinc/50/53/64/568505364.db2.gz IVQJXMOIPSOYAD-ABAIWWIYSA-N 0 0 421.592 3.370 50 0 HGAARN CCOc1ccccc1CNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033060266 568510974 /nfs/dbraw/zinc/51/09/74/568510974.db2.gz XFFTYANBZPCKDL-UHFFFAOYSA-N 0 0 400.435 3.258 50 0 HGAARN Cc1ccc(C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033260595 568512841 /nfs/dbraw/zinc/51/28/41/568512841.db2.gz BQFOAYVHEGXEJW-UHFFFAOYSA-N 0 0 404.470 3.246 50 0 HGAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O ZINC000033331110 568514060 /nfs/dbraw/zinc/51/40/60/568514060.db2.gz PZPSVHQUEOAAJT-UHFFFAOYSA-N 0 0 418.280 3.312 50 0 HGAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCn1cnc2c(C)cccc2c1=O ZINC000025276726 568519671 /nfs/dbraw/zinc/51/96/71/568519671.db2.gz AJGKTWRDVHRHJD-UHFFFAOYSA-N 0 0 421.457 3.177 50 0 HGAARN CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)c1nc2ccccc2[nH]1 ZINC000223213690 568541303 /nfs/dbraw/zinc/54/13/03/568541303.db2.gz JFENOESUYQVGFU-JLTOFOAXSA-N 0 0 416.485 3.306 50 0 HGAARN C[C@@H](C(=O)NCCc1nc(-c2ccccc2)cs1)n1cnc2ccccc2c1=O ZINC000223230428 568541683 /nfs/dbraw/zinc/54/16/83/568541683.db2.gz BRCCBSSGBJVGJN-HNNXBMFYSA-N 0 0 404.495 3.440 50 0 HGAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc12 ZINC000020103877 568587960 /nfs/dbraw/zinc/58/79/60/568587960.db2.gz OMRZEVYJERGSOR-UHFFFAOYSA-N 0 0 411.527 3.140 50 0 HGAARN Cn1c(=O)c2c(nc1SCC(=O)Nc1ccc(C(F)(F)F)cc1)CCS2 ZINC000020154898 568591059 /nfs/dbraw/zinc/59/10/59/568591059.db2.gz PFYXWRGGLHLPRL-UHFFFAOYSA-N 0 0 401.435 3.178 50 0 HGAARN O=S(=O)(Cc1cccc(Cl)c1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000390828879 568591749 /nfs/dbraw/zinc/59/17/49/568591749.db2.gz CAOFMUGGFYUNCL-MRXNPFEDSA-N 0 0 419.977 3.093 50 0 HGAARN CC(C)Sc1ccc(CC(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)cc1 ZINC000390829088 568591783 /nfs/dbraw/zinc/59/17/83/568591783.db2.gz WNZBFORJEPVNEE-UHFFFAOYSA-N 0 0 405.545 3.499 50 0 HGAARN N#Cc1ccc(S(=O)(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)cc1 ZINC000390830773 568592083 /nfs/dbraw/zinc/59/20/83/568592083.db2.gz NGEPFLXQQBKOFN-UHFFFAOYSA-N 0 0 412.437 3.407 50 0 HGAARN CCOC(=O)C1=C(CN2CC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214273 568594594 /nfs/dbraw/zinc/59/45/94/568594594.db2.gz WCLXLKQTPFXVDL-XMSQKQJNSA-N 0 0 423.488 3.486 50 0 HGAARN CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(OC)c2OC)CC1 ZINC000020288087 568597647 /nfs/dbraw/zinc/59/76/47/568597647.db2.gz JGRZWCOBOHKORQ-OXQOHEQNSA-N 0 0 417.575 3.262 50 0 HGAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccs1)N(CCCN1CCOCC1)C3=O ZINC000020308242 568598116 /nfs/dbraw/zinc/59/81/16/568598116.db2.gz XGOVHHYCQCDRQE-FQEVSTJZSA-N 0 0 424.522 3.430 50 0 HGAARN O=C(c1n[nH]c2ccccc21)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000095347288 568600077 /nfs/dbraw/zinc/60/00/77/568600077.db2.gz OYDWOLHZEBTLCU-UHFFFAOYSA-N 0 0 408.889 3.233 50 0 HGAARN Cc1cc(C)cc(OCCN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1 ZINC000095369413 568602261 /nfs/dbraw/zinc/60/22/61/568602261.db2.gz QSXBUTQDHMDFIM-HSZRJFAPSA-N 0 0 410.470 3.311 50 0 HGAARN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)o1 ZINC000095402896 568605398 /nfs/dbraw/zinc/60/53/98/568605398.db2.gz JIHIMNLBGRKMIL-KRWDZBQOSA-N 0 0 411.545 3.470 50 0 HGAARN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)CC1 ZINC000020414746 568605768 /nfs/dbraw/zinc/60/57/68/568605768.db2.gz FCFAXIWISXXHDM-XLIONFOSSA-N 0 0 423.557 3.440 50 0 HGAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)cs1 ZINC000095428380 568608339 /nfs/dbraw/zinc/60/83/39/568608339.db2.gz XKZBDWCWWPGBIM-UHFFFAOYSA-N 0 0 400.426 3.073 50 0 HGAARN COc1ccc([C@@H](O)[C@H]2CCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000095432315 568609275 /nfs/dbraw/zinc/60/92/75/568609275.db2.gz MKAIXMIZJFJEBC-YLJYHZDGSA-N 0 0 413.499 3.464 50 0 HGAARN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CNC(=O)C1CCCC1 ZINC000095441527 568610811 /nfs/dbraw/zinc/61/08/11/568610811.db2.gz IEKVMEXETGENCM-FZKQIMNGSA-N 0 0 409.324 3.044 50 0 HGAARN CCN(C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000095446995 568612194 /nfs/dbraw/zinc/61/21/94/568612194.db2.gz IYQQAHUDZBLHRI-HXUWFJFHSA-N 0 0 401.532 3.103 50 0 HGAARN COc1cc(C(=O)Nc2nn3c(nnc3-c3cccs3)s2)cc(OC)c1OC ZINC000020486412 568613153 /nfs/dbraw/zinc/61/31/53/568613153.db2.gz UFHRZRAIYGRGHD-UHFFFAOYSA-N 0 0 417.472 3.192 50 0 HGAARN CCN1C[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C[C@@H]1C ZINC000095451837 568614914 /nfs/dbraw/zinc/61/49/14/568614914.db2.gz VKGQRORNDPCRHO-ZWKOTPCHSA-N 0 0 400.544 3.215 50 0 HGAARN CS(=O)(=O)c1ccc(-c2nc(COC(=O)c3cnc(Cl)c(N)c3)cs2)cc1 ZINC000095452618 568615435 /nfs/dbraw/zinc/61/54/35/568615435.db2.gz VRCFXTWZQUDWOZ-UHFFFAOYSA-N 0 0 423.903 3.201 50 0 HGAARN Cc1nc2n(c1CN1CCN(C(=O)c3cccnc3SC(F)F)CC1)CCCC2 ZINC000095456605 568618121 /nfs/dbraw/zinc/61/81/21/568618121.db2.gz PKEDPXLIOLUSTA-UHFFFAOYSA-N 0 0 421.517 3.196 50 0 HGAARN Cc1ccsc1CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000095459783 568619734 /nfs/dbraw/zinc/61/97/34/568619734.db2.gz KBFHURFNDFLGQY-UHFFFAOYSA-N 0 0 406.939 3.176 50 0 HGAARN CCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(CNc3nc(C)cc(C)n3)c2)C1 ZINC000095467421 568624504 /nfs/dbraw/zinc/62/45/04/568624504.db2.gz ANLBNKUOAUHGCH-HXUWFJFHSA-N 0 0 409.534 3.084 50 0 HGAARN CCC(=O)N1CCCC[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040151796 568625175 /nfs/dbraw/zinc/62/51/75/568625175.db2.gz WFCKMWZCYMFKLS-OAHLLOKOSA-N 0 0 400.306 3.181 50 0 HGAARN CC(C)N1C(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)cc2S1(=O)=O ZINC000040153176 568625726 /nfs/dbraw/zinc/62/57/26/568625726.db2.gz VJUWZFHDVRSMMZ-CYBMUJFWSA-N 0 0 404.463 3.212 50 0 HGAARN Cc1ccc(-c2nn(CN3CCC(C(=O)Nc4nncs4)CC3)c(=S)o2)cc1 ZINC000040155506 568626281 /nfs/dbraw/zinc/62/62/81/568626281.db2.gz WXOQSUXYTVMIGP-UHFFFAOYSA-N 0 0 416.532 3.341 50 0 HGAARN CC(C)n1nnc(-c2ccc(C(=O)Nc3n[nH]c(Cc4ccc(F)cc4)n3)cc2)n1 ZINC000095472357 568627619 /nfs/dbraw/zinc/62/76/19/568627619.db2.gz GRTHNDSQSSZPGL-UHFFFAOYSA-N 0 0 406.425 3.021 50 0 HGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1c(C)nn(C(C)C)c1C)C=C2 ZINC000095474105 568629183 /nfs/dbraw/zinc/62/91/83/568629183.db2.gz LGYWNTPASKTREE-UHFFFAOYSA-N 0 0 412.490 3.092 50 0 HGAARN CC(C)[C@@H](C(=O)NCCCCCc1nnc2ccccn21)N1Cc2ccccc2C1=O ZINC000095477209 568630997 /nfs/dbraw/zinc/63/09/97/568630997.db2.gz FYGRJFXKGKTSEP-QFIPXVFZSA-N 0 0 419.529 3.239 50 0 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CCOC(=O)c1cn(CC(=O)Nc2cccc(SC)c2)c2nc(C)ccc2c1=O ZINC000020986448 568655167 /nfs/dbraw/zinc/65/51/67/568655167.db2.gz OSEJBYMZWKEEMV-UHFFFAOYSA-N 0 0 411.483 3.242 50 0 HGAARN CCc1ccc(C2=C(C)C(NCC(=O)Nc3ccc(F)cc3)=NS2(=O)=O)cc1 ZINC000020992422 568656062 /nfs/dbraw/zinc/65/60/62/568656062.db2.gz DFSGTMXCSQDCBY-UHFFFAOYSA-N 0 0 401.463 3.089 50 0 HGAARN Cc1nn(CCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021028838 568658947 /nfs/dbraw/zinc/65/89/47/568658947.db2.gz ZKOSYHHKQDMRRD-UHFFFAOYSA-N 0 0 424.954 3.275 50 0 HGAARN COc1ccc(Br)cc1CNC(=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000021045279 568660125 /nfs/dbraw/zinc/66/01/25/568660125.db2.gz WWSUINNDOMBVAA-MRXNPFEDSA-N 0 0 403.276 3.127 50 0 HGAARN O=C(N[C@@H]1C=CCCC1)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000095939832 568661516 /nfs/dbraw/zinc/66/15/16/568661516.db2.gz PLVGSXPZQYZQOR-KBMIEXCESA-N 0 0 415.493 3.391 50 0 HGAARN CC[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000095942001 568662372 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O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O ZINC000096280896 568718394 /nfs/dbraw/zinc/71/83/94/568718394.db2.gz DLYXEMUULHSBSC-OAHLLOKOSA-N 0 0 406.360 3.103 50 0 HGAARN CCn1c(SCc2ccccc2C(=O)N2CCN(C)CC2)nnc1-c1ccco1 ZINC000096289605 568720024 /nfs/dbraw/zinc/72/00/24/568720024.db2.gz BHRUICDKOMYOGM-UHFFFAOYSA-N 0 0 411.531 3.238 50 0 HGAARN COCCn1c(SCc2c(F)cccc2Cl)nnc1-c1cn(C)nc1OC ZINC000012422670 568721232 /nfs/dbraw/zinc/72/12/32/568721232.db2.gz LPVADAKWHVZDON-UHFFFAOYSA-N 0 0 411.890 3.418 50 0 HGAARN O=C1c2ccccc2C(=O)N1CN1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000096300418 568723245 /nfs/dbraw/zinc/72/32/45/568723245.db2.gz KIVWIYPUCDRGAB-UHFFFAOYSA-N 0 0 404.297 3.365 50 0 HGAARN NC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000012440910 568723800 /nfs/dbraw/zinc/72/38/00/568723800.db2.gz DEINDUUETPGSMD-UHFFFAOYSA-N 0 0 410.861 3.082 50 0 HGAARN Cc1cc(C)cc(OCc2nnc(S[C@@H](C)C(=O)N(C(C)C)C(C)C)n2N)c1 ZINC000021628562 568724697 /nfs/dbraw/zinc/72/46/97/568724697.db2.gz 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O=C(COc1ncnc2sc(-c3ccccc3)cc21)NC(=O)NCc1ccco1 ZINC000003552473 568915017 /nfs/dbraw/zinc/91/50/17/568915017.db2.gz BCYFWPPKVOIPFF-UHFFFAOYSA-N 0 0 408.439 3.356 50 0 HGAARN COC(=O)c1cc(Oc2cnn(-c3ccccc3)c(=O)c2Cl)cc(C(=O)OC)c1 ZINC000003566571 568916402 /nfs/dbraw/zinc/91/64/02/568916402.db2.gz GZSIQOMRIJVCCL-UHFFFAOYSA-N 0 0 414.801 3.251 50 0 HGAARN CCOC(=O)c1sc(NC(=O)CN(CC)C[C@@H]2COc3ccccc3O2)cc1C ZINC000031174642 568917060 /nfs/dbraw/zinc/91/70/60/568917060.db2.gz QTXYBHSNNBVRBW-OAHLLOKOSA-N 0 0 418.515 3.334 50 0 HGAARN COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc(OC)c1 ZINC000001361902 568917266 /nfs/dbraw/zinc/91/72/66/568917266.db2.gz JVYQDWRVJCFZJS-MRXNPFEDSA-N 0 0 418.515 3.052 50 0 HGAARN Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)CCO3)cc1C1CC1 ZINC000217898094 568918693 /nfs/dbraw/zinc/91/86/93/568918693.db2.gz HDQKXBXHVJWURR-UHFFFAOYSA-N 0 0 413.499 3.217 50 0 HGAARN COc1ccc(CN2C[C@H](c3nccc(-c4ccc(C)cc4)n3)C(=O)NC2=O)cc1 ZINC000001383271 568922051 /nfs/dbraw/zinc/92/20/51/568922051.db2.gz ARHVVXHMLNUZBC-LJQANCHMSA-N 0 0 402.454 3.296 50 0 HGAARN C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc(Br)c1 ZINC000031286248 568922111 /nfs/dbraw/zinc/92/21/11/568922111.db2.gz GJMPOSBZOKGPDC-HIFRSBDPSA-N 0 0 402.292 3.070 50 0 HGAARN COc1cc(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)cc2c1O[C@@H](C)C2 ZINC000031323252 568923439 /nfs/dbraw/zinc/92/34/39/568923439.db2.gz RSTPRTVTZUDINP-AWEZNQCLSA-N 0 0 412.442 3.141 50 0 HGAARN COC(=O)CCN(C[C@H]1CCCO1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000083891236 568923532 /nfs/dbraw/zinc/92/35/32/568923532.db2.gz ZXGNTPUMMYLFIA-CQSZACIVSA-N 0 0 410.396 3.106 50 0 HGAARN CCC(CC)[C@@H](CNC(=O)c1ccc(F)cc1Br)N1CCOCC1 ZINC000012733827 568924037 /nfs/dbraw/zinc/92/40/37/568924037.db2.gz PZZJRDZGNGSRDV-QGZVFWFLSA-N 0 0 401.320 3.455 50 0 HGAARN COC(=O)[C@H](NC(=O)Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 ZINC000001390546 568924329 /nfs/dbraw/zinc/92/43/29/568924329.db2.gz UWJQYZUUGNIVND-QGZVFWFLSA-N 0 0 419.359 3.328 50 0 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/nfs/dbraw/zinc/92/80/28/568928028.db2.gz CXYZDWOYBMROOR-HNNXBMFYSA-N 0 0 423.698 3.334 50 0 HGAARN NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000031669072 568929096 /nfs/dbraw/zinc/92/90/96/568929096.db2.gz YRVYDONGDWNTRN-UHFFFAOYSA-N 0 0 417.712 3.173 50 0 HGAARN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000031695118 568929299 /nfs/dbraw/zinc/92/92/99/568929299.db2.gz GTMQCNLGXAUSBE-VIFPVBQESA-N 0 0 421.222 3.220 50 0 HGAARN O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1CN1CCOCC1 ZINC000031732398 568929910 /nfs/dbraw/zinc/92/99/10/568929910.db2.gz USDYXKYZOLOBIG-UHFFFAOYSA-N 0 0 400.276 3.116 50 0 HGAARN COc1c(C)cnc(CN2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c1C ZINC000031809652 568932263 /nfs/dbraw/zinc/93/22/63/568932263.db2.gz WSKUZRUFSNHTNW-JOCHJYFZSA-N 0 0 422.529 3.440 50 0 HGAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccncc4)c12)OC(C)(C)CC3 ZINC000004000467 568932514 /nfs/dbraw/zinc/93/25/14/568932514.db2.gz OROWBXRNPAFEHJ-UHFFFAOYSA-N 0 0 408.454 3.295 50 0 biogenic HGAARN COc1ccc(-c2csc3nc(SCCN4CCOCC4)nc(N)c23)cc1 ZINC000031810192 568932515 /nfs/dbraw/zinc/93/25/15/568932515.db2.gz UCCAIRAFHRWDMV-UHFFFAOYSA-N 0 0 402.545 3.373 50 0 HGAARN COc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1Br ZINC000012747654 568933706 /nfs/dbraw/zinc/93/37/06/568933706.db2.gz CURLAYGYYQNOSX-UHFFFAOYSA-N 0 0 419.319 3.220 50 0 HGAARN CS(=O)(=O)N1CCc2cc(C3=NNC(=Nc4ccccc4F)SC3)ccc21 ZINC000012747728 568933778 /nfs/dbraw/zinc/93/37/78/568933778.db2.gz PGDGLZCNBGMHLO-UHFFFAOYSA-N 0 0 404.492 3.067 50 0 HGAARN CC(=O)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000016651017 568935119 /nfs/dbraw/zinc/93/51/19/568935119.db2.gz RLSMCJGCZABZHC-UHFFFAOYSA-N 0 0 404.463 3.455 50 0 HGAARN CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1OC ZINC000004036247 568935309 /nfs/dbraw/zinc/93/53/09/568935309.db2.gz SYHPQMMCVUCOBN-SFHVURJKSA-N 0 0 401.488 3.154 50 0 HGAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3OC)C2)cc1 ZINC000004036283 568935399 /nfs/dbraw/zinc/93/53/99/568935399.db2.gz AUXZWSYFQJZHAH-IBGZPJMESA-N 0 0 401.488 3.154 50 0 HGAARN CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccccc3OC)C2)c1 ZINC000004036301 568935402 /nfs/dbraw/zinc/93/54/02/568935402.db2.gz SHVMWYAIFNHYOF-IBGZPJMESA-N 0 0 401.488 3.154 50 0 HGAARN Cc1nc(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)oc1C ZINC000084074877 568935709 /nfs/dbraw/zinc/93/57/09/568935709.db2.gz RERZXTLMHARLSU-KRWDZBQOSA-N 0 0 406.504 3.113 50 0 HGAARN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cc1ccccc1 ZINC000001420038 568935978 /nfs/dbraw/zinc/93/59/78/568935978.db2.gz FXLUNPOJQFYJDM-QGZVFWFLSA-N 0 0 417.465 3.409 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCCc2ccccc2)C(=O)[C@]31C ZINC000004073488 568937985 /nfs/dbraw/zinc/93/79/85/568937985.db2.gz DTBHUAYNBPTNJN-VWLOTQADSA-N 0 0 417.509 3.251 50 0 biogenic HGAARN CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(OCC)c3ccccc32)o1 ZINC000001424151 568938857 /nfs/dbraw/zinc/93/88/57/568938857.db2.gz BOPQIVDRFDVTIZ-UHFFFAOYSA-N 0 0 403.456 3.487 50 0 HGAARN COc1ccc([C@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004083648 568939489 /nfs/dbraw/zinc/93/94/89/568939489.db2.gz QRNKNSHIVHXWFE-CLOONOSVSA-N 0 0 415.493 3.370 50 0 biogenic HGAARN CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 ZINC000004086548 568940510 /nfs/dbraw/zinc/94/05/10/568940510.db2.gz XTJXGGPSDZVMTQ-UHFFFAOYSA-N 0 0 401.311 3.380 50 0 HGAARN CN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1 ZINC000004087092 568940711 /nfs/dbraw/zinc/94/07/11/568940711.db2.gz MZHJRXSUBOAJNM-UHFFFAOYSA-N 0 0 419.506 3.318 50 0 HGAARN CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000001432850 568941235 /nfs/dbraw/zinc/94/12/35/568941235.db2.gz NSZAEZZSGZUIEL-NRFANRHFSA-N 0 0 408.454 3.368 50 0 HGAARN CCCCc1cc(=O)oc2c3c(cc(OCC(=O)NCCCO)c12)OC(C)(C)CC3 ZINC000004089790 568941895 /nfs/dbraw/zinc/94/18/95/568941895.db2.gz JCTDXHHWBVKGMJ-UHFFFAOYSA-N 0 0 417.502 3.117 50 0 biogenic HGAARN C[C@H](CN1CCc2ccccc2C1)NS(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000670457465 568942091 /nfs/dbraw/zinc/94/20/91/568942091.db2.gz AEWWSKVQIDUKOF-CQSZACIVSA-N 0 0 403.529 3.128 50 0 HGAARN NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000012754215 568942128 /nfs/dbraw/zinc/94/21/28/568942128.db2.gz NHUITSSJROLQGO-QGZVFWFLSA-N 0 0 405.483 3.281 50 0 HGAARN COCCCNC(=O)c1oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1C ZINC000004100953 568942781 /nfs/dbraw/zinc/94/27/81/568942781.db2.gz ZYVRBMNCHJQSGJ-UHFFFAOYSA-N 0 0 422.547 3.461 50 0 HGAARN O=C(CN1CSCC1=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000012757475 568943244 /nfs/dbraw/zinc/94/32/44/568943244.db2.gz HCEIQKARCSEZJC-UHFFFAOYSA-N 0 0 401.435 3.224 50 0 HGAARN Nc1cccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000004107157 568943377 /nfs/dbraw/zinc/94/33/77/568943377.db2.gz CUDYBZQGTJOHJV-XMMPIXPASA-N 0 0 416.433 3.005 50 0 HGAARN O=C(CN1CCN(C(=O)CCOc2ccccc2F)CC1)Nc1ccccc1Cl ZINC000012759009 568943641 /nfs/dbraw/zinc/94/36/41/568943641.db2.gz NONFIKWABQDLDQ-UHFFFAOYSA-N 0 0 419.884 3.031 50 0 HGAARN COC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 ZINC000004130145 568945259 /nfs/dbraw/zinc/94/52/59/568945259.db2.gz VGEVRAHESVNVSB-UHFFFAOYSA-N 0 0 411.418 3.163 50 0 HGAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1cccc2ncccc21 ZINC000012760491 568945289 /nfs/dbraw/zinc/94/52/89/568945289.db2.gz FBMRLVRSNUMOLI-UHFFFAOYSA-N 0 0 400.364 3.489 50 0 HGAARN Cn1c(=O)c2c(SCc3ccccc3F)nc(-c3cccs3)nc2n(C)c1=O ZINC000004139192 568945958 /nfs/dbraw/zinc/94/59/58/568945958.db2.gz BLGRHZVUGCFICB-UHFFFAOYSA-N 0 0 414.487 3.187 50 0 HGAARN Cn1c(=O)c2c(SCc3cccc(Cl)c3)nc(-c3ccco3)nc2n(C)c1=O ZINC000004139171 568945976 /nfs/dbraw/zinc/94/59/76/568945976.db2.gz KABHHWCDLURBBM-UHFFFAOYSA-N 0 0 414.874 3.233 50 0 HGAARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)OCCO2 ZINC000084335403 568946557 /nfs/dbraw/zinc/94/65/57/568946557.db2.gz GZSLKVNSUHJHOC-UHFFFAOYSA-N 0 0 413.314 3.469 50 0 HGAARN O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCCc1ccccc1 ZINC000004164589 568947781 /nfs/dbraw/zinc/94/77/81/568947781.db2.gz GJKAVXDMBFPMES-UHFFFAOYSA-N 0 0 407.474 3.381 50 0 HGAARN O=C(CCn1nnc(-c2cccc(F)c2)n1)Nc1ccc(Br)cc1F ZINC000012768876 568950079 /nfs/dbraw/zinc/95/00/79/568950079.db2.gz CEZULFLBIWXXOQ-UHFFFAOYSA-N 0 0 408.206 3.410 50 0 HGAARN O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012769325 568950325 /nfs/dbraw/zinc/95/03/25/568950325.db2.gz DZHDQFCYZXRVDK-UHFFFAOYSA-N 0 0 418.946 3.366 50 0 HGAARN C[C@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)C(=O)Nc1ccccc1 ZINC000004193574 568950767 /nfs/dbraw/zinc/95/07/67/568950767.db2.gz BMAPIPOPYFNMIZ-ZDUSSCGKSA-N 0 0 414.512 3.011 50 0 HGAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000012771012 568951680 /nfs/dbraw/zinc/95/16/80/568951680.db2.gz CQCVWUUUENACSU-UHFFFAOYSA-N 0 0 415.298 3.455 50 0 HGAARN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NS(=O)(=O)c1ccccc1 ZINC000012771877 568952207 /nfs/dbraw/zinc/95/22/07/568952207.db2.gz IASMQUBIFFWVMO-UHFFFAOYSA-N 0 0 408.423 3.213 50 0 HGAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)o1 ZINC000012773002 568952610 /nfs/dbraw/zinc/95/26/10/568952610.db2.gz JHKHMSAZQXXEMH-NVXWUHKLSA-N 0 0 420.506 3.008 50 0 HGAARN COc1ccc(-n2ccnc2SCC(=O)NCc2ccc(F)cc2)c(OC)c1 ZINC000004248688 568953823 /nfs/dbraw/zinc/95/38/23/568953823.db2.gz RCHORBZVNPEJIG-UHFFFAOYSA-N 0 0 401.463 3.437 50 0 HGAARN C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000084637140 568953904 /nfs/dbraw/zinc/95/39/04/568953904.db2.gz WOGLAICMAMLOPL-DNVCBOLYSA-N 0 0 414.483 3.322 50 0 HGAARN Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O ZINC000004249178 568954127 /nfs/dbraw/zinc/95/41/27/568954127.db2.gz HSCWEEFKDDWAQX-MRXNPFEDSA-N 0 0 415.497 3.041 50 0 HGAARN C[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1nc2ccccc2s1 ZINC000084638470 568954269 /nfs/dbraw/zinc/95/42/69/568954269.db2.gz ZWNWHPSWPQRSBA-HNNXBMFYSA-N 0 0 404.495 3.435 50 0 HGAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)Nc1cccc(Cl)c1 ZINC000004250091 568954493 /nfs/dbraw/zinc/95/44/93/568954493.db2.gz RXXPWSWZIFPVOS-UHFFFAOYSA-N 0 0 411.874 3.469 50 0 HGAARN O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1 ZINC000004266851 568956238 /nfs/dbraw/zinc/95/62/38/568956238.db2.gz CNMFVWADUGACPU-UHFFFAOYSA-N 0 0 400.225 3.167 50 0 HGAARN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c1 ZINC000012780582 568957374 /nfs/dbraw/zinc/95/73/74/568957374.db2.gz XQIUCEFRIVTSIX-QFIPXVFZSA-N 0 0 409.530 3.491 50 0 HGAARN CCOC(=O)c1[nH]c(COC(=O)CSC(=O)c2ccccc2)c(C(C)=O)c1C ZINC000059519878 568958135 /nfs/dbraw/zinc/95/81/35/568958135.db2.gz QEINRAHWVNDIQJ-UHFFFAOYSA-N 0 0 403.456 3.319 50 0 HGAARN Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](CCc4ccccc4)C3=O)c2C)no1 ZINC000012783870 568958785 /nfs/dbraw/zinc/95/87/85/568958785.db2.gz ICTPLFONWMPMBO-IBGZPJMESA-N 0 0 420.469 3.126 50 0 HGAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000012783977 568958921 /nfs/dbraw/zinc/95/89/21/568958921.db2.gz LHYFDRGQCOXOGD-KDOFPFPSSA-N 0 0 422.934 3.288 50 0 HGAARN Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007975652 568960149 /nfs/dbraw/zinc/96/01/49/568960149.db2.gz FUYGXDDREPKJHJ-UHFFFAOYSA-N 0 0 407.923 3.484 50 0 HGAARN COc1cc(CCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc(OC)c1 ZINC000012786512 568960176 /nfs/dbraw/zinc/96/01/76/568960176.db2.gz YYIXHWWMRIEZRW-UHFFFAOYSA-N 0 0 412.486 3.219 50 0 HGAARN COC(=O)c1c(NC(=O)CN(C)Cc2ccccc2OC)sc2c1CCCC2 ZINC000012787001 568960444 /nfs/dbraw/zinc/96/04/44/568960444.db2.gz LWQBBSDMXOLWAB-UHFFFAOYSA-N 0 0 402.516 3.493 50 0 HGAARN O=C(NCCc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000004305751 568960476 /nfs/dbraw/zinc/96/04/76/568960476.db2.gz BRDRWNCDICMVCT-OAQYLSRUSA-N 0 0 419.550 3.327 50 0 HGAARN O=C(Cn1c(=O)oc2ccccc21)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219209321 568960585 /nfs/dbraw/zinc/96/05/85/568960585.db2.gz IUEJUTYAGUWBQG-IBGZPJMESA-N 0 0 412.467 3.030 50 0 HGAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)C1=O ZINC000004306656 568960668 /nfs/dbraw/zinc/96/06/68/568960668.db2.gz IYVAOUNMMXYYRK-ORAYPTAESA-N 0 0 411.424 3.033 50 0 HGAARN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc21 ZINC000015671085 568961638 /nfs/dbraw/zinc/96/16/38/568961638.db2.gz XBQQWKICHYYQGC-GOSISDBHSA-N 0 0 404.463 3.097 50 0 HGAARN O=C(NCCSc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1cc(F)ccc1F ZINC000004315927 568961897 /nfs/dbraw/zinc/96/18/97/568961897.db2.gz BHOXGTVSRIBKTI-UHFFFAOYSA-N 0 0 402.426 3.202 50 0 HGAARN CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2cccc(OC)c2)c1=O ZINC000004315960 568961966 /nfs/dbraw/zinc/96/19/66/568961966.db2.gz RCCQWEUHVGEMMX-UHFFFAOYSA-N 0 0 421.453 3.357 50 0 HGAARN CCOc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1 ZINC000004317761 568962596 /nfs/dbraw/zinc/96/25/96/568962596.db2.gz GXRIYAXNTLJCQT-GOSISDBHSA-N 0 0 404.488 3.213 50 0 HGAARN O=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)Nc1ccccc1C(F)(F)F ZINC000015675216 568963282 /nfs/dbraw/zinc/96/32/82/568963282.db2.gz AMIYNUUHQCCKOB-UHFFFAOYSA-N 0 0 423.778 3.310 50 0 HGAARN CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000007986991 568965085 /nfs/dbraw/zinc/96/50/85/568965085.db2.gz GVOJWNORMYZQIN-HNNXBMFYSA-N 0 0 408.907 3.190 50 0 HGAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1=O ZINC000007989046 568966161 /nfs/dbraw/zinc/96/61/61/568966161.db2.gz IOSWYTZZACAJLH-NLOUDPMVSA-N 0 0 405.926 3.438 50 0 HGAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(C)=O)C3)cc1 ZINC000004281120 568966594 /nfs/dbraw/zinc/96/65/94/568966594.db2.gz PNZOJKGYAXTMCW-UHFFFAOYSA-N 0 0 402.472 3.090 50 0 HGAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2)c2cccnc2)cc1 ZINC000007997286 568967573 /nfs/dbraw/zinc/96/75/73/568967573.db2.gz UNOSITWBBDNSLG-NRFANRHFSA-N 0 0 410.495 3.100 50 0 HGAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000008035598 568969793 /nfs/dbraw/zinc/96/97/93/568969793.db2.gz WTYHNRTZCSVMDU-CQSZACIVSA-N 0 0 412.870 3.189 50 0 HGAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008036343 568969801 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HGAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 ZINC000575620305 569038810 /nfs/dbraw/zinc/03/88/10/569038810.db2.gz JJXLBQIZXMVOFB-IBGZPJMESA-N 0 0 410.499 3.200 50 0 HGAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 ZINC000575620308 569038817 /nfs/dbraw/zinc/03/88/17/569038817.db2.gz JJXLBQIZXMVOFB-LJQANCHMSA-N 0 0 410.499 3.200 50 0 HGAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 ZINC000575621276 569039019 /nfs/dbraw/zinc/03/90/19/569039019.db2.gz ZZMJDZBUWHCLAQ-FOIQADDNSA-N 0 0 405.454 3.090 50 0 HGAARN Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1-n1nnc2cccnc21 ZINC000035482584 569039589 /nfs/dbraw/zinc/03/95/89/569039589.db2.gz DRJAFZFJAMEPHX-UHFFFAOYSA-N 0 0 416.460 3.225 50 0 HGAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)nc1)N1CCN(C2CCCCC2)CC1 ZINC000035483500 569039613 /nfs/dbraw/zinc/03/96/13/569039613.db2.gz WZRBEJWNQZHQED-UHFFFAOYSA-N 0 0 413.543 3.005 50 0 HGAARN Cc1ccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccco2)CSC3)cc1C ZINC000090557753 569041071 /nfs/dbraw/zinc/04/10/71/569041071.db2.gz ZLODUQXXHSYJSZ-UHFFFAOYSA-N 0 0 410.499 3.408 50 0 HGAARN CCOc1ccc2nc(NC(=O)c3coc(NC(=O)c4cc(C)on4)n3)sc2c1 ZINC000090583044 569041257 /nfs/dbraw/zinc/04/12/57/569041257.db2.gz BVHFXXMAMVXDRP-UHFFFAOYSA-N 0 0 413.415 3.484 50 0 HGAARN O=C(Cc1noc2ccccc12)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 ZINC000090593586 569041583 /nfs/dbraw/zinc/04/15/83/569041583.db2.gz MXCGLDDHBOFQBX-UHFFFAOYSA-N 0 0 404.382 3.107 50 0 HGAARN Cc1nc(-c2cccc(NC(=O)COc3cc(-n4cccn4)nc(C)n3)c2)cs1 ZINC000090607703 569041991 /nfs/dbraw/zinc/04/19/91/569041991.db2.gz DAANPGLQXPWNGX-UHFFFAOYSA-N 0 0 406.471 3.420 50 0 HGAARN C[C@H](NC(=O)C(=O)NCc1ccc([C@H](O)c2cccs2)s1)c1ccccc1 ZINC000090613732 569042881 /nfs/dbraw/zinc/04/28/81/569042881.db2.gz PHBRAGJVDZMCRN-SCLBCKFNSA-N 0 0 400.525 3.385 50 0 HGAARN Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)Nc1cc(C)cc(C)c1 ZINC000035510749 569042998 /nfs/dbraw/zinc/04/29/98/569042998.db2.gz INSROMZRFQEKCY-UHFFFAOYSA-N 0 0 403.490 3.423 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000035513239 569043223 /nfs/dbraw/zinc/04/32/23/569043223.db2.gz MOZXDGBPCCIVML-IBGZPJMESA-N 0 0 416.481 3.405 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000035513242 569043224 /nfs/dbraw/zinc/04/32/24/569043224.db2.gz MOZXDGBPCCIVML-LJQANCHMSA-N 0 0 416.481 3.405 50 0 HGAARN CC(C)n1c(=O)cc(N2CCCN(C(=O)CCC3CCCC3)CC2)n(C(C)C)c1=O ZINC000035513615 569043250 /nfs/dbraw/zinc/04/32/50/569043250.db2.gz ZXBSAQKQIIOOIG-UHFFFAOYSA-N 0 0 418.582 3.181 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3cc(C)nc(-c4ccc(Cl)cc4)n3c2=O)cc1 ZINC000035528202 569044000 /nfs/dbraw/zinc/04/40/00/569044000.db2.gz BHWNNGXVSAQZPK-UHFFFAOYSA-N 0 0 407.861 3.467 50 0 HGAARN CCc1nc(-c2ccc(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)cc2)no1 ZINC000035529852 569044288 /nfs/dbraw/zinc/04/42/88/569044288.db2.gz HVZLNCKJLBWIMA-KRWDZBQOSA-N 0 0 406.486 3.415 50 0 HGAARN Cc1ccc(CNC(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000035530525 569044308 /nfs/dbraw/zinc/04/43/08/569044308.db2.gz VWOANGNLPCGRQJ-UHFFFAOYSA-N 0 0 423.513 3.352 50 0 HGAARN COc1cc(CNC(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)cc(OC)c1 ZINC000035531046 569044363 /nfs/dbraw/zinc/04/43/63/569044363.db2.gz GTJLAULRHRYCGD-UHFFFAOYSA-N 0 0 414.477 3.402 50 0 HGAARN CCc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1 ZINC000035531124 569044396 /nfs/dbraw/zinc/04/43/96/569044396.db2.gz IDGKONRRLJMGSS-UHFFFAOYSA-N 0 0 400.544 3.356 50 0 HGAARN CC[C@@H](C)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1 ZINC000035561335 569045031 /nfs/dbraw/zinc/04/50/31/569045031.db2.gz KKHWXUCXZGECQC-MRXNPFEDSA-N 0 0 413.543 3.468 50 0 HGAARN CCn1c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2ccco2)c(C)c1C(=O)OC ZINC000035562523 569045145 /nfs/dbraw/zinc/04/51/45/569045145.db2.gz LZOWXJNGSZKPFL-UHFFFAOYSA-N 0 0 423.469 3.425 50 0 HGAARN CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCCc3ccc(F)cc3)cs2)cc1 ZINC000035596779 569045514 /nfs/dbraw/zinc/04/55/14/569045514.db2.gz VOTLYHXJKOAZPO-UHFFFAOYSA-N 0 0 419.503 3.402 50 0 HGAARN CCOc1ccc2nc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)sc2c1 ZINC000035598199 569045843 /nfs/dbraw/zinc/04/58/43/569045843.db2.gz FOEJEMVOWHWAMY-INIZCTEOSA-N 0 0 424.482 3.164 50 0 HGAARN O=C(CN1CCOCC1)Nc1sc2c(c1C(=O)Nc1ccc(F)cc1)CCCC2 ZINC000035586322 569046093 /nfs/dbraw/zinc/04/60/93/569046093.db2.gz SXHJUMLHXAVAQW-UHFFFAOYSA-N 0 0 417.506 3.289 50 0 HGAARN CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C)c1-c1ccc(OC)cc1 ZINC000035586330 569046131 /nfs/dbraw/zinc/04/61/31/569046131.db2.gz PTPGTBSNHNVKCX-UHFFFAOYSA-N 0 0 418.515 3.180 50 0 HGAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000006384672 569046278 /nfs/dbraw/zinc/04/62/78/569046278.db2.gz MDPCRRWOMNTUOU-AWEZNQCLSA-N 0 0 414.483 3.155 50 0 HGAARN COc1cc(N2C[C@H](C(=O)Nc3cc(F)ccc3C)CC2=O)cc(OC)c1OC ZINC000012980623 569046391 /nfs/dbraw/zinc/04/63/91/569046391.db2.gz JAFFAZDSVKUCMQ-CYBMUJFWSA-N 0 0 402.422 3.152 50 0 HGAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000017916082 569047107 /nfs/dbraw/zinc/04/71/07/569047107.db2.gz SDVKHETWVXZBQD-AWEZNQCLSA-N 0 0 408.470 3.243 50 0 HGAARN Cc1cc(Br)ccc1SCC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000018184298 569047137 /nfs/dbraw/zinc/04/71/37/569047137.db2.gz VPMBTBFLYDDLRQ-UHFFFAOYSA-N 0 0 404.293 3.464 50 0 HGAARN COC(=O)c1sc(N)c(C(=O)OC)c1COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000012981360 569047194 /nfs/dbraw/zinc/04/71/94/569047194.db2.gz YINRFGKWZRMNFV-QMMMGPOBSA-N 0 0 407.419 3.312 50 0 HGAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCCN1C(=O)CCC1=O ZINC000012982074 569047270 /nfs/dbraw/zinc/04/72/70/569047270.db2.gz OXBSWVZIIRCFKQ-UHFFFAOYSA-N 0 0 413.524 3.386 50 0 HGAARN Cn1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)n1 ZINC000012982299 569047332 /nfs/dbraw/zinc/04/73/32/569047332.db2.gz CHIDVIGRVBXIEV-HXUWFJFHSA-N 0 0 417.469 3.378 50 0 HGAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000035267886 569047996 /nfs/dbraw/zinc/04/79/96/569047996.db2.gz HIYIHADDNKFGNC-LJQANCHMSA-N 0 0 417.509 3.332 50 0 HGAARN CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)NC[C@H]1CCCO1 ZINC000035664107 569048702 /nfs/dbraw/zinc/04/87/02/569048702.db2.gz BOWXLXWEKWGFFT-FZKQIMNGSA-N 0 0 405.882 3.045 50 0 HGAARN COc1cc(CC(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1OC ZINC000013003518 569049340 /nfs/dbraw/zinc/04/93/40/569049340.db2.gz QPJOGCWPQOJOJY-UHFFFAOYSA-N 0 0 424.375 3.259 50 0 HGAARN C[C@@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000013003910 569049371 /nfs/dbraw/zinc/04/93/71/569049371.db2.gz TZPPPXQGIKYADJ-QGZVFWFLSA-N 0 0 407.580 3.453 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)CSc2ccc(Cl)cc2)s1 ZINC000013005025 569049527 /nfs/dbraw/zinc/04/95/27/569049527.db2.gz RPKUHDVPOUREPJ-UHFFFAOYSA-N 0 0 404.966 3.060 50 0 HGAARN Cc1cc(C)nc(SCC(=O)N(C)CC(=O)Nc2ccccc2Br)n1 ZINC000013004775 569049563 /nfs/dbraw/zinc/04/95/63/569049563.db2.gz VFHJCDJKIFIEGJ-UHFFFAOYSA-N 0 0 423.336 3.045 50 0 HGAARN CCOC(=O)c1sc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)cc1C ZINC000013008138 569049857 /nfs/dbraw/zinc/04/98/57/569049857.db2.gz LNFKZGAZVCFNLT-LLVKDONJSA-N 0 0 411.505 3.229 50 0 HGAARN CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3CCCC[C@H]3C)CC2)cc1 ZINC000215754880 569050782 /nfs/dbraw/zinc/05/07/82/569050782.db2.gz CUNMAVGNZPWIPS-MRXNPFEDSA-N 0 0 419.616 3.430 50 0 HGAARN COc1ccc([C@H]2c3cn(C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1OC ZINC000524729474 569051705 /nfs/dbraw/zinc/05/17/05/569051705.db2.gz VKGZVYIKCGXZAQ-NRFANRHFSA-N 0 0 417.465 3.396 50 0 biogenic HGAARN COc1ccccc1[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1C(=O)NCc1cccnc1 ZINC000035699713 569052633 /nfs/dbraw/zinc/05/26/33/569052633.db2.gz CJFNBYIJNSSUMW-YADHBBJMSA-N 0 0 415.493 3.262 50 0 HGAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)cc1 ZINC000001782133 569052800 /nfs/dbraw/zinc/05/28/00/569052800.db2.gz OZCVNYGMHQVRGC-QGZVFWFLSA-N 0 0 401.260 3.445 50 0 biogenic HGAARN C[C@]1(CSc2ccccc2C(=O)N2CC[C@H]3CCCC[C@H]3C2)NC(=O)NC1=O ZINC000239761315 569054570 /nfs/dbraw/zinc/05/45/70/569054570.db2.gz CJMRDASYUVWUQU-LRAJWGHMSA-N 0 0 401.532 3.029 50 0 HGAARN CC(C)[C@@H](CNC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C)N1CCOCC1 ZINC000241371354 569054774 /nfs/dbraw/zinc/05/47/74/569054774.db2.gz MMXKIBYJWWPKCD-XMSQKQJNSA-N 0 0 411.546 3.317 50 0 HGAARN O=C1N(CN2CCN(c3ccccc3)CC2)c2ccccc2[C@@]12O[C@@H]1CCCC[C@@H]1O2 ZINC000245226413 569055231 /nfs/dbraw/zinc/05/52/31/569055231.db2.gz VYJKCQHDIRIYPU-FVRPBGSPSA-N 0 0 419.525 3.324 50 0 HGAARN CC(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3C[C@@H](c4ccccc4)C[C@H]32)C1=O ZINC000245327737 569055972 /nfs/dbraw/zinc/05/59/72/569055972.db2.gz PUDKKFCNAWTZLC-VAXXYWNWSA-N 0 0 403.482 3.078 50 0 HGAARN CC[C@@H](C(=O)N(CCOC)Cc1ccc(OS(C)(=O)=O)cc1)c1ccccc1 ZINC000035770133 569058342 /nfs/dbraw/zinc/05/83/42/569058342.db2.gz KTXPUBZSTTUMMB-HXUWFJFHSA-N 0 0 405.516 3.194 50 0 HGAARN COc1ccc(CC(=O)N(Cc2ccc(OS(C)(=O)=O)cc2)CC(C)C)cc1 ZINC000035770094 569058360 /nfs/dbraw/zinc/05/83/60/569058360.db2.gz HWKLZDQVXSMMEP-UHFFFAOYSA-N 0 0 405.516 3.261 50 0 HGAARN Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 ZINC000001910829 569058775 /nfs/dbraw/zinc/05/87/75/569058775.db2.gz NQDHESIDRHLUNE-FQEVSTJZSA-N 0 0 408.454 3.106 50 0 HGAARN COc1cc(C=NNc2[nH]c(=O)nnc2C)ccc1OCc1c(F)cccc1Cl ZINC000252477480 569059487 /nfs/dbraw/zinc/05/94/87/569059487.db2.gz OQGNHMQACFKDBT-UHFFFAOYSA-N 0 0 417.828 3.299 50 0 HGAARN CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000001926417 569059713 /nfs/dbraw/zinc/05/97/13/569059713.db2.gz NLYQRIQKNQSOAP-UHFFFAOYSA-N 0 0 407.469 3.385 50 0 HGAARN COc1ccc(OCn2ccc(C(=O)Nc3ccc(Br)cn3)n2)cc1 ZINC000006490685 569060891 /nfs/dbraw/zinc/06/08/91/569060891.db2.gz HLSJRTWZMJSFHP-UHFFFAOYSA-N 0 0 403.236 3.338 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000016626707 569061028 /nfs/dbraw/zinc/06/10/28/569061028.db2.gz UHPPSJGSJVNJAL-UHFFFAOYSA-N 0 0 403.866 3.060 50 0 HGAARN CC(C)C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000054253694 569061567 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ZINC000013940194 569423277 /nfs/dbraw/zinc/42/32/77/569423277.db2.gz BCWJSSNUQRWEGP-LJQANCHMSA-N 0 0 404.894 3.249 50 0 HGAARN C[C@@H](NC(=O)CNC(=O)c1c(F)cccc1Cl)c1noc(Cc2ccccc2)n1 ZINC000079026410 569424864 /nfs/dbraw/zinc/42/48/64/569424864.db2.gz LQLNPIRTXLUSFT-GFCCVEGCSA-N 0 0 416.840 3.060 50 0 HGAARN O=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)c1ccccc1Cl ZINC000019596371 569425033 /nfs/dbraw/zinc/42/50/33/569425033.db2.gz AZXYVQAAVSYJSY-UHFFFAOYSA-N 0 0 406.313 3.181 50 0 HGAARN CCCCOCCN(c1cccc(Br)c1)S(=O)(=O)c1c[nH]nc1C ZINC000079047679 569425336 /nfs/dbraw/zinc/42/53/36/569425336.db2.gz AFBDGRSSKFSDHN-UHFFFAOYSA-N 0 0 416.341 3.493 50 0 HGAARN CCn1c2ccc(C(=O)Nc3cccc(CCC(F)(F)F)c3)cc2[nH]c(=O)c1=O ZINC000079057114 569426073 /nfs/dbraw/zinc/42/60/73/569426073.db2.gz KIEKOLXHCCEXKP-UHFFFAOYSA-N 0 0 405.376 3.457 50 0 HGAARN CCOc1nc(N2CCC(NC(=O)C3CCCCC3)CC2)ncc1Br ZINC000079092208 569427083 /nfs/dbraw/zinc/42/70/83/569427083.db2.gz YRALQBIBTMPRFW-UHFFFAOYSA-N 0 0 411.344 3.303 50 0 HGAARN O=C(CSc1cccc[n+]1[O-])N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000079094180 569427119 /nfs/dbraw/zinc/42/71/19/569427119.db2.gz WIWIPGVVWJLQML-SFHVURJKSA-N 0 0 400.525 3.236 50 0 HGAARN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(CCNC(C)=O)cc1 ZINC000079098764 569427351 /nfs/dbraw/zinc/42/73/51/569427351.db2.gz FLXYYMMGPQVYPQ-LJQANCHMSA-N 0 0 405.539 3.179 50 0 HGAARN C[C@@H](O)C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000079105758 569427715 /nfs/dbraw/zinc/42/77/15/569427715.db2.gz CZYUJOCTJSEQQN-HIFRSBDPSA-N 0 0 403.422 3.418 50 0 HGAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1sc(N(C)C)nc1C ZINC000079190383 569429158 /nfs/dbraw/zinc/42/91/58/569429158.db2.gz DZKUOXUUBOVHFI-CJNGLKHVSA-N 0 0 400.456 3.080 50 0 biogenic HGAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2ccccc2n(C)c1=O ZINC000079191613 569429310 /nfs/dbraw/zinc/42/93/10/569429310.db2.gz RYMCCCGKAGFXQP-RXVVDRJESA-N 0 0 417.417 3.101 50 0 biogenic HGAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c1 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CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Cl)c(F)c3)no2)c1=O ZINC000038652722 571052477 /nfs/dbraw/zinc/05/24/77/571052477.db2.gz MNMODJHHXHUAJP-UHFFFAOYSA-N 0 0 400.797 3.074 50 0 HGAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc(C2CC2)n1C ZINC000008474017 571053123 /nfs/dbraw/zinc/05/31/23/571053123.db2.gz RBPRSCHKXRKPRK-UHFFFAOYSA-N 0 0 418.548 3.335 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cn3cc(C)ccc3n2)c1 ZINC000008483555 571055026 /nfs/dbraw/zinc/05/50/26/571055026.db2.gz KINKVCPYCMOYEZ-UHFFFAOYSA-N 0 0 419.478 3.169 50 0 HGAARN CCCCc1ccc(NC(=O)Cn2ccn(-c3ccc(OCC)cc3)c(=O)c2=O)cc1 ZINC000067256148 571056224 /nfs/dbraw/zinc/05/62/24/571056224.db2.gz LFRXGXFSWBEUEZ-UHFFFAOYSA-N 0 0 421.497 3.379 50 0 HGAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)c2cc3c4ccccc4[nH]c3c(C)n2)cc1 ZINC000008490847 571056748 /nfs/dbraw/zinc/05/67/48/571056748.db2.gz GFPRXJRISAWDQG-HNNXBMFYSA-N 0 0 416.481 3.468 50 0 biogenic HGAARN O=C(c1n[nH]nc1Nc1ccccc1F)N1CCN(c2ccccc2Cl)CC1 ZINC000067284444 571063633 /nfs/dbraw/zinc/06/36/33/571063633.db2.gz GMJPCWZZJIOPGX-UHFFFAOYSA-N 0 0 400.845 3.303 50 0 HGAARN Cc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3cc(C)ccc3C)NC2=O)c(C)c1 ZINC000067288733 571066132 /nfs/dbraw/zinc/06/61/32/571066132.db2.gz QODQCQCQKCLVAW-JOCHJYFZSA-N 0 0 419.481 3.436 50 0 HGAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038729715 571074674 /nfs/dbraw/zinc/07/46/74/571074674.db2.gz FADNLASWJPWJBA-IAGOWNOFSA-N 0 0 424.501 3.365 50 0 HGAARN COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(SC)c2)c1C ZINC000067322640 571078324 /nfs/dbraw/zinc/07/83/24/571078324.db2.gz BGYVIHGXHXCYIF-UHFFFAOYSA-N 0 0 411.487 3.208 50 0 HGAARN COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)N1CCCC1 ZINC000008560395 571081189 /nfs/dbraw/zinc/08/11/89/571081189.db2.gz OTERLCFKDPNAIS-UHFFFAOYSA-N 0 0 408.907 3.063 50 0 HGAARN CCc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)cc1 ZINC000067349866 571081695 /nfs/dbraw/zinc/08/16/95/571081695.db2.gz YWVCORBAOGRGTR-UHFFFAOYSA-N 0 0 405.498 3.404 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HGAARN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OS(C)(=O)=O ZINC000008722145 571107258 /nfs/dbraw/zinc/10/72/58/571107258.db2.gz DDNIJGNLVMTZMS-GDNBJRDFSA-N 0 0 421.858 3.422 50 0 HGAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@H](NC(C)=O)C3CCCC3)n2)c1 ZINC000008727945 571108743 /nfs/dbraw/zinc/10/87/43/571108743.db2.gz GUICWIYAEBTXNL-GOSISDBHSA-N 0 0 403.504 3.461 50 0 HGAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000008733813 571109479 /nfs/dbraw/zinc/10/94/79/571109479.db2.gz IVXZNWPKSPDOQN-IBGZPJMESA-N 0 0 423.519 3.399 50 0 HGAARN Cc1c(C(=O)OCc2nc(-c3ccccc3C)no2)sc2nc3n(c(=O)c12)CCC3 ZINC000008734882 571109752 /nfs/dbraw/zinc/10/97/52/571109752.db2.gz NYUZJWPJEQFNFX-UHFFFAOYSA-N 0 0 422.466 3.428 50 0 HGAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)n2N)cc1 ZINC000008754061 571112913 /nfs/dbraw/zinc/11/29/13/571112913.db2.gz QDMGMTASHMJTEA-NSHDSACASA-N 0 0 403.895 3.440 50 0 HGAARN COc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)c(OC)c1 ZINC000008768833 571116288 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CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000001072643 557170687 /nfs/dbraw/zinc/17/06/87/557170687.db2.gz AGPRQCZNWVIJFR-MRXNPFEDSA-N 0 0 404.463 3.068 50 0 HGAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(NS(C)(=O)=O)cc1)CCCC2 ZINC000001079024 557174988 /nfs/dbraw/zinc/17/49/88/557174988.db2.gz RWTNKKHVGDPXMX-UHFFFAOYSA-N 0 0 408.501 3.037 50 0 HGAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000001081663 557175710 /nfs/dbraw/zinc/17/57/10/557175710.db2.gz KRTHPXQPWFVKOS-HNNXBMFYSA-N 0 0 401.894 3.134 50 0 HGAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000001081664 557175744 /nfs/dbraw/zinc/17/57/44/557175744.db2.gz KRTHPXQPWFVKOS-OAHLLOKOSA-N 0 0 401.894 3.134 50 0 HGAARN O=C(CSc1ncc(-c2ccccc2)nn1)NC1=NN=C(c2ccccc2)CS1 ZINC000001117030 557187732 /nfs/dbraw/zinc/18/77/32/557187732.db2.gz PFZZCUKPGKSXKL-UHFFFAOYSA-N 0 0 420.523 3.254 50 0 HGAARN COc1ccc(CCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000001121553 557191249 /nfs/dbraw/zinc/19/12/49/557191249.db2.gz LYPCZLWKMQCQEN-UHFFFAOYSA-N 0 0 424.522 3.493 50 0 HGAARN O=C(COc1ccccc1C(=O)Nc1cccc(Cl)c1Cl)N1CCOCC1 ZINC000001125497 557194956 /nfs/dbraw/zinc/19/49/56/557194956.db2.gz PBPWPCBZIWXJQB-UHFFFAOYSA-N 0 0 409.269 3.483 50 0 HGAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2cccc(Br)c2)=NO1 ZINC000001126267 557195509 /nfs/dbraw/zinc/19/55/09/557195509.db2.gz ISFKUZAQNCLQGH-INIZCTEOSA-N 0 0 403.232 3.367 50 0 HGAARN Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1C ZINC000001127199 557195886 /nfs/dbraw/zinc/19/58/86/557195886.db2.gz DXWVJUTUVCFRBN-UHFFFAOYSA-N 0 0 408.433 3.030 50 0 HGAARN COc1cccc(N2C(=S)N(c3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000001128150 557196694 /nfs/dbraw/zinc/19/66/94/557196694.db2.gz DTAQZFOBIYLSDS-SJORKVTESA-N 0 0 408.932 3.126 50 0 HGAARN CCc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1 ZINC000001135954 557201056 /nfs/dbraw/zinc/20/10/56/557201056.db2.gz MPDJPMXCUKNYCN-UHFFFAOYSA-N 0 0 402.501 3.178 50 0 HGAARN CCc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 ZINC000001138900 557202700 /nfs/dbraw/zinc/20/27/00/557202700.db2.gz VULXJARWLCVPIU-UHFFFAOYSA-N 0 0 411.321 3.416 50 0 HGAARN CN1C(=O)c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)cc2C1=O ZINC000001143123 557205649 /nfs/dbraw/zinc/20/56/49/557205649.db2.gz WOJIQPWERXTOST-UHFFFAOYSA-N 0 0 408.266 3.346 50 0 HGAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)NC[C@H]3CCCO3)cc12 ZINC000001147801 557209146 /nfs/dbraw/zinc/20/91/46/557209146.db2.gz WVQFBZDVOCQFEP-CQSZACIVSA-N 0 0 400.529 3.179 50 0 HGAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000001151971 557211664 /nfs/dbraw/zinc/21/16/64/557211664.db2.gz VQYDIZGLMWHZND-SFHVURJKSA-N 0 0 401.463 3.274 50 0 HGAARN COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(C)cc2)cc1 ZINC000001153694 557212512 /nfs/dbraw/zinc/21/25/12/557212512.db2.gz LECMBOBJABEQBY-BXWFABGCSA-N 0 0 408.376 3.108 50 0 HGAARN CCOC(=O)Cc1csc(NC(=O)COc2ccc(Br)cc2C)n1 ZINC000001159589 557217339 /nfs/dbraw/zinc/21/73/39/557217339.db2.gz BLDOSGDSLMNPQA-UHFFFAOYSA-N 0 0 413.293 3.337 50 0 HGAARN COC(=O)c1c2c(sc1NC(=O)c1c(Br)cnn1C)C[C@@H](C)CC2 ZINC000001171839 557224549 /nfs/dbraw/zinc/22/45/49/557224549.db2.gz NUHOYXRVCYPGPP-QMMMGPOBSA-N 0 0 412.309 3.408 50 0 HGAARN Cc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001173962 557226107 /nfs/dbraw/zinc/22/61/07/557226107.db2.gz OPJZLNFIZIIHPR-UHFFFAOYSA-N 0 0 400.422 3.096 50 0 HGAARN Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000001174618 557226714 /nfs/dbraw/zinc/22/67/14/557226714.db2.gz SLQVVCGURIQMBT-UHFFFAOYSA-N 0 0 401.315 3.384 50 0 HGAARN Cc1ccc(NC(=S)NC(=O)c2cccc(I)c2)c(O)c1 ZINC000001179528 557229627 /nfs/dbraw/zinc/22/96/27/557229627.db2.gz YSHLPNUOYZGQDT-UHFFFAOYSA-N 0 0 412.252 3.432 50 0 HGAARN Cc1c(NC(=O)COc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001218229 557247210 /nfs/dbraw/zinc/24/72/10/557247210.db2.gz NHBWZESYSMWMGH-UHFFFAOYSA-N 0 0 416.275 3.264 50 0 HGAARN O=C(COc1cccc(Cl)c1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010215805 557256929 /nfs/dbraw/zinc/25/69/29/557256929.db2.gz XLHQFSNBSZPADS-UHFFFAOYSA-N 0 0 416.861 3.325 50 0 HGAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000001431576 557262749 /nfs/dbraw/zinc/26/27/49/557262749.db2.gz QGOVVFWCQSPAEN-INIZCTEOSA-N 0 0 400.834 3.410 50 0 HGAARN Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1 ZINC000001443606 557265218 /nfs/dbraw/zinc/26/52/18/557265218.db2.gz WVORRODYAFVZSI-UHFFFAOYSA-N 0 0 404.293 3.152 50 0 HGAARN O=c1c(CSCCNS(=O)(=O)c2ccccc2)cc2cccc3c2n1CCC3 ZINC000001741384 557284090 /nfs/dbraw/zinc/28/40/90/557284090.db2.gz HQXKMXMARDRHSJ-UHFFFAOYSA-N 0 0 414.552 3.159 50 0 HGAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3nnc([C@H]4CCCO4)s3)ccc12 ZINC000001787320 557287834 /nfs/dbraw/zinc/28/78/34/557287834.db2.gz VOZHWXPDGCVXJO-BXUZGUMPSA-N 0 0 401.444 3.210 50 0 HGAARN CC1CCN(S(=O)(=O)N2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)CC1 ZINC000071889720 557298102 /nfs/dbraw/zinc/29/81/02/557298102.db2.gz PNOBNLBZGHHOEB-SFHVURJKSA-N 0 0 416.547 3.283 50 0 HGAARN COC(=O)[C@@](NNc1cccc(Cl)c1)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000002050537 557300883 /nfs/dbraw/zinc/30/08/83/557300883.db2.gz GERXVTZGMPNJEQ-INIZCTEOSA-N 0 0 419.762 3.257 50 0 HGAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2 ZINC000002052476 557301634 /nfs/dbraw/zinc/30/16/34/557301634.db2.gz OLQNBVICIDNKOI-UHFFFAOYSA-N 0 0 409.920 3.125 50 0 HGAARN CS(=O)(=O)c1ccc(-c2nnc(C3(c4cccc(F)c4)CCOCC3)o2)cc1 ZINC000071889925 557309665 /nfs/dbraw/zinc/30/96/65/557309665.db2.gz LABDKNBYPMSXML-UHFFFAOYSA-N 0 0 402.447 3.376 50 0 HGAARN CCOC(=O)C1=C(C)N(C)[C@@]2(SC(C(=O)OC)=NN2c2ccc(C)cc2)S1 ZINC000002170687 557321638 /nfs/dbraw/zinc/32/16/38/557321638.db2.gz JDLSBTVMQFSZME-SFHVURJKSA-N 0 0 407.517 3.119 50 0 HGAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccc2)n1N ZINC000002207928 557326656 /nfs/dbraw/zinc/32/66/56/557326656.db2.gz DQCUDYGYJYOZQO-UHFFFAOYSA-N 0 0 403.895 3.360 50 0 HGAARN Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccncc1 ZINC000002264429 557332682 /nfs/dbraw/zinc/33/26/82/557332682.db2.gz CCMGYZFTQJSQET-UHFFFAOYSA-N 0 0 404.293 3.370 50 0 HGAARN CCOCCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21 ZINC000002315804 557336616 /nfs/dbraw/zinc/33/66/16/557336616.db2.gz SPQNHYJLUSTWIK-UHFFFAOYSA-N 0 0 403.486 3.371 50 0 HGAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)OCO2 ZINC000006111627 557337711 /nfs/dbraw/zinc/33/77/11/557337711.db2.gz IGENPHVTHRUQCB-UHFFFAOYSA-N 0 0 402.472 3.232 50 0 HGAARN Cc1cccc(Cn2c(N[C@H]3C[C@@H](C)CC(C)(C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000002368603 557341142 /nfs/dbraw/zinc/34/11/42/557341142.db2.gz FKIJXTVHRFQRTM-WBVHZDCISA-N 0 0 409.534 3.407 50 0 HGAARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002473871 557351082 /nfs/dbraw/zinc/35/10/82/557351082.db2.gz GPUZINVUWZFUSE-OAHLLOKOSA-N 0 0 414.911 3.321 50 0 HGAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cccnc2)C1=O ZINC000002493098 557352237 /nfs/dbraw/zinc/35/22/37/557352237.db2.gz IIHMEZLVOGGTDE-LJQANCHMSA-N 0 0 403.276 3.451 50 0 HGAARN CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002540548 557355544 /nfs/dbraw/zinc/35/55/44/557355544.db2.gz LQQFVCOJXMXWLD-HNNXBMFYSA-N 0 0 412.486 3.411 50 0 HGAARN Cc1ccc(CN2CCN(Cc3nc(C(=O)NCc4ccccc4)co3)CC2)cc1 ZINC000034677959 557365689 /nfs/dbraw/zinc/36/56/89/557365689.db2.gz WXRBTLRAKBLVPF-UHFFFAOYSA-N 0 0 404.514 3.231 50 0 HGAARN COc1cccc(C(=O)N2CCc3nc(N4CCCC4)nc(N4CCCCC4)c3C2)c1 ZINC000034679171 557367541 /nfs/dbraw/zinc/36/75/41/557367541.db2.gz XOYKNHXTUVAGEK-UHFFFAOYSA-N 0 0 421.545 3.274 50 0 HGAARN CCOC(=O)c1c(NC(=O)CS(=O)(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000002735210 557373860 /nfs/dbraw/zinc/37/38/60/557373860.db2.gz DWRBJYBNQYELMA-UHFFFAOYSA-N 0 0 421.540 3.357 50 0 HGAARN Cc1ccccc1Cn1cnc2c1c(=O)n(Cc1ccco1)c(=O)n2-c1ccccc1 ZINC000034693415 557374779 /nfs/dbraw/zinc/37/47/79/557374779.db2.gz GQGSFCIVHNRQLP-UHFFFAOYSA-N 0 0 412.449 3.347 50 0 HGAARN COc1cccc(-n2c3ncn([C@H](C)c4ccccc4)c3c(=O)n(CC3CC3)c2=O)c1 ZINC000034693869 557376667 /nfs/dbraw/zinc/37/66/67/557376667.db2.gz ASSLXTAEJMJAAG-MRXNPFEDSA-N 0 0 416.481 3.377 50 0 HGAARN C[C@@H](c1ccccc1)n1cnc2c1c(=O)n(C[C@@H]1CCCO1)c(=O)n2-c1ccccc1 ZINC000034693955 557376932 /nfs/dbraw/zinc/37/69/32/557376932.db2.gz QMXHCGDWCVHFMK-PXNSSMCTSA-N 0 0 416.481 3.137 50 0 HGAARN COc1ccccc1-n1c2ncn(Cc3ccc(F)cc3F)c2c(=O)n(C2CC2)c1=O ZINC000034694081 557377609 /nfs/dbraw/zinc/37/76/09/557377609.db2.gz ZSFJUULSAAWTOF-UHFFFAOYSA-N 0 0 424.407 3.019 50 0 HGAARN Cc1ccccc1-n1c2ncn(CC(=O)C(C)(C)C)c2c(=O)n(CCC(C)C)c1=O ZINC000034694332 557378006 /nfs/dbraw/zinc/37/80/06/557378006.db2.gz DXPNUHCEFFPYCB-UHFFFAOYSA-N 0 0 410.518 3.319 50 0 HGAARN CC(C)(C)C(=O)Cn1cnc2c1c(=O)n(C1CCCC1)c(=O)n2-c1cccc(F)c1 ZINC000034694400 557378509 /nfs/dbraw/zinc/37/85/09/557378509.db2.gz HFOINEHWFKNYIL-UHFFFAOYSA-N 0 0 412.465 3.218 50 0 HGAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 ZINC000002778146 557386060 /nfs/dbraw/zinc/38/60/60/557386060.db2.gz CFESDWOAVJJQIO-UHFFFAOYSA-N 0 0 419.304 3.405 50 0 HGAARN Cc1nnc2c3ccccc3nc(N3CCCN(C(=O)NCc4ccccc4)CC3)n12 ZINC000034707680 557389213 /nfs/dbraw/zinc/38/92/13/557389213.db2.gz WWQNEGJMQLXTSZ-UHFFFAOYSA-N 0 0 415.501 3.008 50 0 HGAARN Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(I)cc1)C(=O)N2 ZINC000002812938 557394461 /nfs/dbraw/zinc/39/44/61/557394461.db2.gz HNVHVUIPSSOMCY-KRWDZBQOSA-N 0 0 407.207 3.012 50 0 HGAARN CCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000002827934 557397473 /nfs/dbraw/zinc/39/74/73/557397473.db2.gz YVHBJAIANROJBF-UHFFFAOYSA-N 0 0 410.561 3.491 50 0 HGAARN Cc1c(NC(=O)Cc2cccs2)cccc1C(=O)NN1C(=O)c2ccccc2C1=O ZINC000002846511 557403058 /nfs/dbraw/zinc/40/30/58/557403058.db2.gz TXZROTKTLVBYEG-UHFFFAOYSA-N 0 0 419.462 3.179 50 0 HGAARN Cc1ccc(N2C(=O)N[C@@](NC(=O)c3ccccc3Cl)(C(F)(F)F)C2=O)cc1 ZINC000002863543 557411127 /nfs/dbraw/zinc/41/11/27/557411127.db2.gz KQIRMSCRIZETMQ-QGZVFWFLSA-N 0 0 411.767 3.393 50 0 HGAARN 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558826250 /nfs/dbraw/zinc/82/62/50/558826250.db2.gz MKSHLZGAGGEZGG-GOSISDBHSA-N 0 0 402.926 3.212 50 0 HGAARN CCCNC(=O)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000017286223 558826423 /nfs/dbraw/zinc/82/64/23/558826423.db2.gz HHAVTQVLJJZTQQ-UHFFFAOYSA-N 0 0 404.445 3.466 50 0 HGAARN Cc1nc2ccccc2n(CCC(=O)NCc2cccc(Br)c2)c1=O ZINC000033005341 558827427 /nfs/dbraw/zinc/82/74/27/558827427.db2.gz SYTBQEHXRBRMGJ-UHFFFAOYSA-N 0 0 400.276 3.174 50 0 HGAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000017730120 558827767 /nfs/dbraw/zinc/82/77/67/558827767.db2.gz IIGQMZOBQPDQHF-NRFANRHFSA-N 0 0 411.477 3.069 50 0 HGAARN CCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2s1 ZINC000033007517 558828289 /nfs/dbraw/zinc/82/82/89/558828289.db2.gz QRJQDVAPAIWDOB-UHFFFAOYSA-N 0 0 418.500 3.404 50 0 HGAARN CCOc1ccc(S(=O)(=O)Nc2cc3sc(NC(C)=O)nc3c(OC)c2)cc1 ZINC000033007957 558828817 /nfs/dbraw/zinc/82/88/17/558828817.db2.gz FWMQYNKQSSFUPT-UHFFFAOYSA-N 0 0 421.500 3.463 50 0 HGAARN O[C@H](CNc1ccccc1)COc1ccc(OC[C@@H](O)CNc2ccccc2)cc1 ZINC000018062094 558830241 /nfs/dbraw/zinc/83/02/41/558830241.db2.gz JMWPJVLDRFGSNE-SZPZYZBQSA-N 0 0 408.498 3.390 50 0 HGAARN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc1Br ZINC000004592671 558830578 /nfs/dbraw/zinc/83/05/78/558830578.db2.gz IGLCTQAVFAQXMK-OAHLLOKOSA-N 0 0 408.321 3.361 50 0 HGAARN CCc1noc(-c2cccc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC000033012510 558832333 /nfs/dbraw/zinc/83/23/33/558832333.db2.gz DZKDQYIVXSMZRH-UHFFFAOYSA-N 0 0 410.449 3.166 50 0 HGAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)c(Cl)c3N2)cc1OC ZINC000018194763 558833062 /nfs/dbraw/zinc/83/30/62/558833062.db2.gz KMUOGANIBBUKLZ-LDYMZIIASA-N 0 0 404.776 3.313 50 0 HGAARN CC[N@@H+]1CCC[C@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000004598962 558834850 /nfs/dbraw/zinc/83/48/50/558834850.db2.gz YBDRFGGSSAHIEP-INIZCTEOSA-N 0 0 402.564 3.220 50 0 HGAARN O=c1/c(=C/c2ccccc2F)sc2nc(-c3ccccc3Br)nn12 ZINC000013514497 558835603 /nfs/dbraw/zinc/83/56/03/558835603.db2.gz MXRNZCWYIMZMTI-ZROIWOOFSA-N 0 0 402.248 3.267 50 0 HGAARN C[C@@]1(C2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)NC(=O)NC1=O ZINC000072312265 558837382 /nfs/dbraw/zinc/83/73/82/558837382.db2.gz FWIYLOIUYLMOMW-QHCPKHFHSA-N 0 0 401.470 3.111 50 0 HGAARN CCN1CCN(S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)CC1 ZINC000046141280 558839937 /nfs/dbraw/zinc/83/99/37/558839937.db2.gz URGQLAQZVQKBNA-UHFFFAOYSA-N 0 0 418.544 3.100 50 0 HGAARN CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc21 ZINC000005805106 558840314 /nfs/dbraw/zinc/84/03/14/558840314.db2.gz VNHRBBSFEUDTQM-NSHDSACASA-N 0 0 402.838 3.297 50 0 HGAARN Nn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)N1CCCCCC1 ZINC000004600878 558840412 /nfs/dbraw/zinc/84/04/12/558840412.db2.gz LAQLOURFXOVNPO-UHFFFAOYSA-N 0 0 414.556 3.334 50 0 HGAARN CCOC(=O)C[C@@H](Nc1ncnc2c1c(Br)nn2C)c1ccccc1 ZINC000072313846 558841293 /nfs/dbraw/zinc/84/12/93/558841293.db2.gz GMTLREREKINFGG-GFCCVEGCSA-N 0 0 404.268 3.232 50 0 HGAARN COC(=O)c1cccc(NC(=O)NCCCn2c3ncccc3nc2C(F)(F)F)c1 ZINC000033025628 558846132 /nfs/dbraw/zinc/84/61/32/558846132.db2.gz INXKFWHBSSZAES-UHFFFAOYSA-N 0 0 421.379 3.449 50 0 HGAARN O=C1[C@@H]2[C@H](c3ccc(O)cc3)NN(Cc3ccccc3)[C@H]2C(=O)N1C1CCCCC1 ZINC000019169302 558847399 /nfs/dbraw/zinc/84/73/99/558847399.db2.gz OLVBUHOIWWXHMU-BHIFYINESA-N 0 0 405.498 3.140 50 0 HGAARN CC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1)C(C)C ZINC000033029143 558852257 /nfs/dbraw/zinc/85/22/57/558852257.db2.gz BEZXBCWQFGPGDL-LJQANCHMSA-N 0 0 421.494 3.034 50 0 HGAARN Cc1cccc(N2C(=O)C[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1 ZINC000019229330 558853513 /nfs/dbraw/zinc/85/35/13/558853513.db2.gz IMZFILKRCAUDQM-IBGZPJMESA-N 0 0 417.431 3.468 50 0 HGAARN Cc1ccc(C(=O)Nc2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn2)cc1 ZINC000013701650 558857210 /nfs/dbraw/zinc/85/72/10/558857210.db2.gz HITAIKNCJBIEOU-UHFFFAOYSA-N 0 0 422.466 3.497 50 0 HGAARN O=c1c(-c2ccccc2)coc2c1ccc1c2CN(CCCN2CCOCC2)CO1 ZINC000013723410 558860265 /nfs/dbraw/zinc/86/02/65/558860265.db2.gz XVKKEKUAQUMNAL-UHFFFAOYSA-N 0 0 406.482 3.334 50 0 biogenic HGAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]5ON=C(c6ccc(C)cc6)[C@H]45)[C@@H]3C2=O)cc1 ZINC000013725449 558860449 /nfs/dbraw/zinc/86/04/49/558860449.db2.gz LIHHUAIRASNQRP-OJMNFPMESA-N 0 0 414.461 3.372 50 0 HGAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000053193522 558863036 /nfs/dbraw/zinc/86/30/36/558863036.db2.gz OXKNHBBDOIMFFQ-UHFFFAOYSA-N 0 0 415.799 3.348 50 0 in-vitro HGAARN C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000023023151 558865069 /nfs/dbraw/zinc/86/50/69/558865069.db2.gz GVGCEGBLSGHUKQ-MRXNPFEDSA-N 0 0 405.493 3.123 50 0 HGAARN O=C(COC(=O)c1ccccc1I)N[C@H]1CCc2ccccc21 ZINC000072330002 558865438 /nfs/dbraw/zinc/86/54/38/558865438.db2.gz RYURYEXXYADJLU-INIZCTEOSA-N 0 0 421.234 3.252 50 0 HGAARN CN(C)C(=O)COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000019295559 558865824 /nfs/dbraw/zinc/86/58/24/558865824.db2.gz VLLIMTKWEJILCN-UHFFFAOYSA-N 0 0 406.486 3.482 50 0 HGAARN O=C(c1cnc(N2CCOCC2)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 ZINC000033072983 558867212 /nfs/dbraw/zinc/86/72/12/558867212.db2.gz IOFKATWSTVIDPF-UHFFFAOYSA-N 0 0 420.488 3.173 50 0 HGAARN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCN(C)CC1)c1ccccc1CC2 ZINC000019338306 558870598 /nfs/dbraw/zinc/87/05/98/558870598.db2.gz DIZVYONZLVBESK-UHFFFAOYSA-N 0 0 422.529 3.266 50 0 biogenic HGAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)c2)no1 ZINC000033086483 558870983 /nfs/dbraw/zinc/87/09/83/558870983.db2.gz XZDRFJDDEDOTNM-UHFFFAOYSA-N 0 0 400.460 3.367 50 0 HGAARN CC(C)c1cc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)n(C)n1 ZINC000055098981 558872065 /nfs/dbraw/zinc/87/20/65/558872065.db2.gz XRUCTEANALRKNZ-FQEVSTJZSA-N 0 0 413.541 3.109 50 0 HGAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NCC(C)C)C3)s2)cc1 ZINC000033113168 558875136 /nfs/dbraw/zinc/87/51/36/558875136.db2.gz COTXTAMOQFOFRS-AWEZNQCLSA-N 0 0 417.535 3.344 50 0 HGAARN CCCNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(OC)cc3)s2)C1 ZINC000033113142 558875147 /nfs/dbraw/zinc/87/51/47/558875147.db2.gz LCBFVKJJHCGGRM-ZDUSSCGKSA-N 0 0 403.508 3.098 50 0 HGAARN COc1ccc(-c2csc(NC(=O)CN3CCN(c4ccc(O)cc4)CC3)n2)cc1 ZINC000019357084 558875676 /nfs/dbraw/zinc/87/56/76/558875676.db2.gz ONQNPDYBLQCMPZ-UHFFFAOYSA-N 0 0 424.526 3.285 50 0 HGAARN O=C(CCc1nc(-c2ccccc2)no1)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000019357614 558875952 /nfs/dbraw/zinc/87/59/52/558875952.db2.gz ULKUDYHCMLOGAR-UHFFFAOYSA-N 0 0 410.817 3.074 50 0 HGAARN COc1ccc(NC(=O)CC(=O)N2CCC(Oc3ccc(C)cc3)CC2)c(OC)c1 ZINC000055324899 558879121 /nfs/dbraw/zinc/87/91/21/558879121.db2.gz XTWJTNUQTIWDJV-UHFFFAOYSA-N 0 0 412.486 3.411 50 0 HGAARN COc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(F)c3)CC2)cc1 ZINC000033122661 558879285 /nfs/dbraw/zinc/87/92/85/558879285.db2.gz OXUHWARYHHVKEJ-UHFFFAOYSA-N 0 0 421.494 3.118 50 0 HGAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000033122586 558879312 /nfs/dbraw/zinc/87/93/12/558879312.db2.gz CVRKGVWPKWYCSN-UHFFFAOYSA-N 0 0 417.531 3.287 50 0 HGAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1cc(F)ccc1F ZINC000033124708 558880478 /nfs/dbraw/zinc/88/04/78/558880478.db2.gz HJEKLMLZJDJIJQ-KRWDZBQOSA-N 0 0 403.360 3.446 50 0 HGAARN O=C(NCCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccc2ccccc2n1 ZINC000013797332 558881450 /nfs/dbraw/zinc/88/14/50/558881450.db2.gz GHXTZCMAPOGIPE-UHFFFAOYSA-N 0 0 402.429 3.418 50 0 HGAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)NCc3ccccn3)ccc2=O)cc1Cl ZINC000033128146 558881792 /nfs/dbraw/zinc/88/17/92/558881792.db2.gz GEOCDNJLULXFDR-CQSZACIVSA-N 0 0 414.918 3.386 50 0 HGAARN Cc1ccc(-n2nc(O[C@H](C)C(=O)NCCCc3ccccc3)ccc2=O)cc1C ZINC000033125276 558883255 /nfs/dbraw/zinc/88/32/55/558883255.db2.gz NZWFLYKWLYHENC-LJQANCHMSA-N 0 0 405.498 3.366 50 0 HGAARN CCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)s1 ZINC000013799506 558883360 /nfs/dbraw/zinc/88/33/60/558883360.db2.gz DCEJYVAQWFRYFO-UHFFFAOYSA-N 0 0 421.519 3.042 50 0 HGAARN Cc1ccc(Cl)cc1-n1nc(O[C@H](C)C(=O)NCc2ccc(F)cc2)ccc1=O ZINC000033125674 558883648 /nfs/dbraw/zinc/88/36/48/558883648.db2.gz FZDOEAKVFGMJIA-CQSZACIVSA-N 0 0 415.852 3.417 50 0 HGAARN COCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033129993 558885888 /nfs/dbraw/zinc/88/58/88/558885888.db2.gz OWBCYDHPAAMVNV-UHFFFAOYSA-N 0 0 416.543 3.295 50 0 HGAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000057058646 558887354 /nfs/dbraw/zinc/88/73/54/558887354.db2.gz CMRYWKGKTPVKBY-QGZVFWFLSA-N 0 0 420.513 3.412 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CCCCN2CC(=O)OCc2ccccc2)cc1OC ZINC000057837927 558891159 /nfs/dbraw/zinc/89/11/59/558891159.db2.gz XPBJFHUEJRQHPO-IBGZPJMESA-N 0 0 412.486 3.240 50 0 HGAARN CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000058004259 558894180 /nfs/dbraw/zinc/89/41/80/558894180.db2.gz SIESYARRZUPILH-PGRDOPGGSA-N 0 0 406.511 3.112 50 0 HGAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000019483095 558894560 /nfs/dbraw/zinc/89/45/60/558894560.db2.gz KLSQZCDJAIKHFJ-OXQOHEQNSA-N 0 0 424.497 3.257 50 0 HGAARN O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000010657327 558894562 /nfs/dbraw/zinc/89/45/62/558894562.db2.gz FJFCLCGXRKJMRW-UHFFFAOYSA-N 0 0 409.393 3.495 50 0 HGAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(-c4ccccc4)cnn32)cc1 ZINC000071285505 558896679 /nfs/dbraw/zinc/89/66/79/558896679.db2.gz HREMGDIYIXNOLT-GOSISDBHSA-N 0 0 404.426 3.249 50 0 HGAARN O=C(c1ccc(Br)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011154028 558896981 /nfs/dbraw/zinc/89/69/81/558896981.db2.gz UPYJMMWRYWIBTN-UHFFFAOYSA-N 0 0 423.332 3.032 50 0 HGAARN COC(=O)c1c(C)nn2c1ncc1c2ccn(-c2cc(Cl)cc(Cl)c2)c1=O ZINC000071375644 558897182 /nfs/dbraw/zinc/89/71/82/558897182.db2.gz SICBACOPBDTQNU-UHFFFAOYSA-N 0 0 403.225 3.435 50 0 HGAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1nnc(C2CCCCC2)s1 ZINC000071385257 558897394 /nfs/dbraw/zinc/89/73/94/558897394.db2.gz ZEYQGMVYJXEGAI-VNHYZAJKSA-N 0 0 409.581 3.250 50 0 HGAARN COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)NC1CCCC1 ZINC000033171399 558900133 /nfs/dbraw/zinc/90/01/33/558900133.db2.gz SPSGEBZMYWRTLQ-UHFFFAOYSA-N 0 0 400.504 3.243 50 0 HGAARN CCc1cccc(CC)c1NC(=O)C(=O)N[C@H](c1nccn1C)c1cccc(OC)c1 ZINC000058154269 558902674 /nfs/dbraw/zinc/90/26/74/558902674.db2.gz QJWSJFLBUGDTCG-NRFANRHFSA-N 0 0 420.513 3.398 50 0 HGAARN CCOc1ccccc1NC(=O)NC1CCN(c2nc3ccccc3n(C)c2=O)CC1 ZINC000033169696 558903064 /nfs/dbraw/zinc/90/30/64/558903064.db2.gz BMCJITQWYSIGOB-UHFFFAOYSA-N 0 0 421.501 3.123 50 0 HGAARN Cc1nc2ccc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)cc2nc1C ZINC000058156731 558903081 /nfs/dbraw/zinc/90/30/81/558903081.db2.gz HBSAWVIDAKEUBT-UHFFFAOYSA-N 0 0 403.486 3.201 50 0 HGAARN CC(=O)c1cccc(NC(=O)Cn2nc(N3CCC[C@@H](C)C3)c3ccccc3c2=O)c1 ZINC000033175097 558904368 /nfs/dbraw/zinc/90/43/68/558904368.db2.gz KQALFLPKXBCICV-MRXNPFEDSA-N 0 0 418.497 3.474 50 0 HGAARN COC(=O)CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000058179039 558909864 /nfs/dbraw/zinc/90/98/64/558909864.db2.gz WAPCRADNIAUBRG-UHFFFAOYSA-N 0 0 417.527 3.272 50 0 HGAARN CC(C)Cn1nc(C(=O)N2CCC(c3nnc(C4CC4)[nH]3)CC2)c2ccccc2c1=O ZINC000058225053 558913378 /nfs/dbraw/zinc/91/33/78/558913378.db2.gz JHRBOWRQOMVSBO-UHFFFAOYSA-N 0 0 420.517 3.068 50 0 HGAARN COc1cc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc(OC)c1OC ZINC000019549824 558914606 /nfs/dbraw/zinc/91/46/06/558914606.db2.gz ZIGBWQVTEWNOSR-UHFFFAOYSA-N 0 0 404.894 3.324 50 0 HGAARN COc1cccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)c1 ZINC000033249410 558916198 /nfs/dbraw/zinc/91/61/98/558916198.db2.gz DNDXIYXTKYHBKE-UHFFFAOYSA-N 0 0 414.458 3.451 50 0 HGAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4cc(C)ccn4)CC3)cc2)no1 ZINC000033254415 558918147 /nfs/dbraw/zinc/91/81/47/558918147.db2.gz MLLJLFWQWFPIME-UHFFFAOYSA-N 0 0 405.458 3.239 50 0 HGAARN CC(C)OCCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033254679 558918623 /nfs/dbraw/zinc/91/86/23/558918623.db2.gz AJNCYUDYIZDJNR-UHFFFAOYSA-N 0 0 416.971 3.062 50 0 HGAARN C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058309797 558918684 /nfs/dbraw/zinc/91/86/84/558918684.db2.gz ZJGHFRMFARDLLQ-AWEZNQCLSA-N 0 0 404.486 3.477 50 0 HGAARN O=C(CSCc1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccccc2)CC1 ZINC000033250324 558919162 /nfs/dbraw/zinc/91/91/62/558919162.db2.gz PSFQDEPCRAVLBM-UHFFFAOYSA-N 0 0 412.490 3.458 50 0 HGAARN NC(=O)CC[C@@H]1CCCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000058341304 558920388 /nfs/dbraw/zinc/92/03/88/558920388.db2.gz YRZYYRSCGHTADK-HNNXBMFYSA-N 0 0 403.910 3.194 50 0 HGAARN COc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1Br ZINC000019558930 558920509 /nfs/dbraw/zinc/92/05/09/558920509.db2.gz WOHLWOJVLLMGQZ-UHFFFAOYSA-N 0 0 403.320 3.345 50 0 HGAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NC[C@H]4CCCO4)[nH]c(=O)c32)C1 ZINC000033252276 558920624 /nfs/dbraw/zinc/92/06/24/558920624.db2.gz IROHIWZYALWOPN-UONOGXRCSA-N 0 0 417.575 3.363 50 0 HGAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCCO)cc2)c(C)c1C ZINC000058343068 558920752 /nfs/dbraw/zinc/92/07/52/558920752.db2.gz SWEBUXPPXCBZTK-UHFFFAOYSA-N 0 0 404.532 3.142 50 0 HGAARN Cn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000033255961 558923719 /nfs/dbraw/zinc/92/37/19/558923719.db2.gz MUDHFEFNBIRVRS-UHFFFAOYSA-N 0 0 406.417 3.231 50 0 HGAARN C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H]3COc4ccccc4O3)cc2F)C[C@H](C)O1 ZINC000058404818 558924412 /nfs/dbraw/zinc/92/44/12/558924412.db2.gz LEPQKQBQYULKRX-HLLBOEOZSA-N 0 0 415.465 3.401 50 0 HGAARN CCCCc1nc(C)c(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)s1 ZINC000058413145 558925019 /nfs/dbraw/zinc/92/50/19/558925019.db2.gz AUPRMYLRKXGVJF-UHFFFAOYSA-N 0 0 424.574 3.278 50 0 HGAARN CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000058411476 558925106 /nfs/dbraw/zinc/92/51/06/558925106.db2.gz GFJSUZQIJBPWCJ-GFCCVEGCSA-N 0 0 401.850 3.126 50 0 HGAARN Cc1sc2ncn(CCC(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)c(=O)c2c1C ZINC000058429057 558926428 /nfs/dbraw/zinc/92/64/28/558926428.db2.gz ATNOICPPEDLUII-KBXCAEBGSA-N 0 0 411.527 3.454 50 0 HGAARN COc1cccc(OC)c1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019566917 558926465 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/nfs/dbraw/zinc/23/10/41/559231041.db2.gz WXSSIERAGKQUGP-UGSOOPFHSA-N 0 0 409.577 3.166 50 0 HGAARN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000005035697 559232220 /nfs/dbraw/zinc/23/22/20/559232220.db2.gz YMYTWVSLKXKHAA-MRXNPFEDSA-N 0 0 413.474 3.413 50 0 HGAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)c1 ZINC000005047408 559236926 /nfs/dbraw/zinc/23/69/26/559236926.db2.gz KCIHBEDOAASQDG-UHFFFAOYSA-N 0 0 401.467 3.236 50 0 HGAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCc3ccccc3)c(C)o2)cc1 ZINC000005057859 559238148 /nfs/dbraw/zinc/23/81/48/559238148.db2.gz KATZWYPMZCANBU-LJAQVGFWSA-N 0 0 412.511 3.266 50 0 biogenic HGAARN CCCN(CCC)C(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C ZINC000005058446 559238753 /nfs/dbraw/zinc/23/87/53/559238753.db2.gz LJWRKWNHROHKNH-UHFFFAOYSA-N 0 0 408.520 3.222 50 0 HGAARN CCOc1ccc(CCNC(=O)COc2cc(=O)n(C)c3ccccc23)cc1OCC ZINC000005066551 559239920 /nfs/dbraw/zinc/23/99/20/559239920.db2.gz UIMOJSXUGXCZIJ-UHFFFAOYSA-N 0 0 424.497 3.074 50 0 HGAARN 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CC[C@@H]1CCc2sc(C(=O)OCC(=O)NCC(=O)Nc3ccc(F)cc3)cc2C1 ZINC000005561308 560617905 /nfs/dbraw/zinc/61/79/05/560617905.db2.gz SZYQCZKNGNAURP-CYBMUJFWSA-N 0 0 418.490 3.314 50 0 HGAARN C[C@H](CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)c1ccccc1 ZINC000005570732 560623494 /nfs/dbraw/zinc/62/34/94/560623494.db2.gz FCPYMZVPYYYECO-CYBMUJFWSA-N 0 0 413.568 3.496 50 0 HGAARN C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000005576761 560624576 /nfs/dbraw/zinc/62/45/76/560624576.db2.gz KMTCAMHOWJJPFH-DOTOQJQBSA-N 0 0 407.919 3.323 50 0 HGAARN O=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000062582114 560632113 /nfs/dbraw/zinc/63/21/13/560632113.db2.gz JETUIFXVMNVDIE-JOCHJYFZSA-N 0 0 420.513 3.236 50 0 HGAARN Cc1cc2oc(=O)cc(COC(=O)c3ccc(CS(C)(=O)=O)cc3)c2cc1C ZINC000005622123 560632726 /nfs/dbraw/zinc/63/27/26/560632726.db2.gz PLNUKSKYBMOEAW-UHFFFAOYSA-N 0 0 400.452 3.311 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(C)cc(=O)oc3c1)CC2 ZINC000005630934 560635258 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CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 ZINC000021094692 568664736 /nfs/dbraw/zinc/66/47/36/568664736.db2.gz PLQKQJDWVREFLX-AWEZNQCLSA-N 0 0 416.861 3.274 50 0 HGAARN O=C(NCc1ccc(F)cc1)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000021097563 568665365 /nfs/dbraw/zinc/66/53/65/568665365.db2.gz JMYPUORRSLGELT-HXUWFJFHSA-N 0 0 411.458 3.158 50 0 HGAARN COc1ccc(CNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)c(OC(F)F)c1 ZINC000095961996 568670252 /nfs/dbraw/zinc/67/02/52/568670252.db2.gz CPOHXSLHLDCLJO-UHFFFAOYSA-N 0 0 415.462 3.381 50 0 HGAARN CC(C)[C@H]1NC2(CCN(C(=O)c3cccs3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000096279811 568671486 /nfs/dbraw/zinc/67/14/86/568671486.db2.gz QEBXLPJGPGTRTE-LJQANCHMSA-N 0 0 415.534 3.476 50 0 HGAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)N3CCC(C)CC3)CC2)c1C ZINC000021153831 568672856 /nfs/dbraw/zinc/67/28/56/568672856.db2.gz AKUMSOMRBSFSKI-UHFFFAOYSA-N 0 0 417.550 3.309 50 0 HGAARN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](CO)c2cccc(Br)c2)c1C ZINC000095983350 568675548 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568682900 /nfs/dbraw/zinc/68/29/00/568682900.db2.gz LXOFIGRVFKTFDX-JOCHJYFZSA-N 0 0 404.514 3.104 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2Cc3ccccc3OC[C@H]2C)c1 ZINC000096007834 568683132 /nfs/dbraw/zinc/68/31/32/568683132.db2.gz UJGMVXHIEJZEGQ-QGZVFWFLSA-N 0 0 416.543 3.449 50 0 HGAARN O=C(CCCc1cccs1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096019646 568685784 /nfs/dbraw/zinc/68/57/84/568685784.db2.gz XIXQTVNYEQHHRN-BOPFTXTBSA-N 0 0 404.557 3.216 50 0 HGAARN Cc1cc(NC(=O)c2ccccc2S(=O)(=O)C(F)F)ccc1N1CCCC1=O ZINC000096098368 568689583 /nfs/dbraw/zinc/68/95/83/568689583.db2.gz FBLHOGAMDLQKAF-UHFFFAOYSA-N 0 0 408.426 3.370 50 0 HGAARN Cc1ccsc1C(=O)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105556 568692805 /nfs/dbraw/zinc/69/28/05/568692805.db2.gz LNNPOVUBTZGOSH-UHFFFAOYSA-N 0 0 417.918 3.437 50 0 HGAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4F)CC3)C2=O)cc1 ZINC000096105539 568692822 /nfs/dbraw/zinc/69/28/22/568692822.db2.gz SEZUYZBVYRMZQA-UHFFFAOYSA-N 0 0 413.424 3.000 50 0 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O=C(NCCCN1CCOCC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000024986801 568710662 /nfs/dbraw/zinc/71/06/62/568710662.db2.gz ATEWMLIXFRAERC-UHFFFAOYSA-N 0 0 414.893 3.238 50 0 HGAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000024993496 568711706 /nfs/dbraw/zinc/71/17/06/568711706.db2.gz DIMIVAWPYVZGQC-INIZCTEOSA-N 0 0 422.403 3.392 50 0 HGAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2oc1=O ZINC000000851089 568712029 /nfs/dbraw/zinc/71/20/29/568712029.db2.gz NIFVGRWGDVXJCL-UHFFFAOYSA-N 0 0 402.200 3.214 50 0 HGAARN CC1CCC2(CC1)OC[C@H](C(=O)NCc1cccnc1)N2C(=O)c1ccccc1F ZINC000096274671 568714226 /nfs/dbraw/zinc/71/42/26/568714226.db2.gz JHTKRGVJBCDAQK-VRVFXRSRSA-N 0 0 411.477 3.285 50 0 HGAARN CCc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCCCC3)cc1 ZINC000096274732 568714262 /nfs/dbraw/zinc/71/42/62/568714262.db2.gz OSUDYRTUTSTVRO-NRFANRHFSA-N 0 0 407.514 3.462 50 0 HGAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)c(OC)c1 ZINC000021576165 568719273 /nfs/dbraw/zinc/71/92/73/568719273.db2.gz LHYYZPMADJJBBC-UHFFFAOYSA-N 0 0 413.503 3.024 50 0 HGAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)c(OC)c1 ZINC000021576030 568719294 /nfs/dbraw/zinc/71/92/94/568719294.db2.gz ORKGGNMQIKAIIC-UHFFFAOYSA-N 0 0 413.503 3.024 50 0 HGAARN COc1cc(-c2noc([C@@H](C)NC(=O)Cc3ccc(F)cc3)n2)cc(OC)c1OC ZINC000096290170 568720282 /nfs/dbraw/zinc/72/02/82/568720282.db2.gz GQFANCDLQHJROM-GFCCVEGCSA-N 0 0 415.421 3.321 50 0 HGAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2N1C[C@@H]1CCCO1 ZINC000096292403 568721218 /nfs/dbraw/zinc/72/12/18/568721218.db2.gz USSXDBLRIFQFCH-AWEZNQCLSA-N 0 0 403.460 3.028 50 0 HGAARN COCc1nnc(SCc2ccc(C(=O)NCC(C)C)cc2)n1[C@@H](C)COC ZINC000096294320 568722133 /nfs/dbraw/zinc/72/21/33/568722133.db2.gz PPHWPIXHNXZUFD-HNNXBMFYSA-N 0 0 406.552 3.310 50 0 HGAARN CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)N1CCN(c3ccccc3C)CC1)C2 ZINC000096310517 568724455 /nfs/dbraw/zinc/72/44/55/568724455.db2.gz MEWSOCSYIGHHPG-LJQANCHMSA-N 0 0 407.562 3.085 50 0 HGAARN Cc1oc2c(ccc3c2CN([C@H]2CCS(=O)(=O)C2)CO3)c(=O)c1-c1ccccc1 ZINC000012442546 568724567 /nfs/dbraw/zinc/72/45/67/568724567.db2.gz CIVUAQJCRPXSFQ-INIZCTEOSA-N 0 0 411.479 3.107 50 0 biogenic HGAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 ZINC000000869221 568725533 /nfs/dbraw/zinc/72/55/33/568725533.db2.gz OBSVLXUYRICTAK-OAQYLSRUSA-N 0 0 416.518 3.344 50 0 HGAARN CCNC(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2cccc(OC)c2)CC1 ZINC000096316773 568725617 /nfs/dbraw/zinc/72/56/17/568725617.db2.gz NEYKZPVSBRJENB-UHFFFAOYSA-N 0 0 409.534 3.113 50 0 HGAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(C)c1 ZINC000096316817 568725931 /nfs/dbraw/zinc/72/59/31/568725931.db2.gz ZEBDVXVCCWPSBX-UHFFFAOYSA-N 0 0 420.557 3.458 50 0 HGAARN CCCNC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000096318175 568727079 /nfs/dbraw/zinc/72/70/79/568727079.db2.gz ZELXNGCUZPHOBS-UHFFFAOYSA-N 0 0 420.296 3.294 50 0 HGAARN CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@H](C(=O)Nc3ccccc3C(F)(F)F)[C@@H]2O1 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O=C1C([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)C([O-])=NC(=S)N1Cc1ccc(F)cc1 ZINC000001318991 568914083 /nfs/dbraw/zinc/91/40/83/568914083.db2.gz ZJHUDWNYBZVQFU-LJQANCHMSA-N 0 0 422.485 3.141 50 0 biogenic HGAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000001324757 568914179 /nfs/dbraw/zinc/91/41/79/568914179.db2.gz GLSFCXWEYJQDMD-MRXNPFEDSA-N 0 0 408.907 3.358 50 0 HGAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)NCCc1ccccc1 ZINC000003544341 568914183 /nfs/dbraw/zinc/91/41/83/568914183.db2.gz POXVITWEUHCUAX-UHFFFAOYSA-N 0 0 402.450 3.455 50 0 HGAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000031111384 568914270 /nfs/dbraw/zinc/91/42/70/568914270.db2.gz IMRKAXCZJFBTRS-QFIPXVFZSA-N 0 0 410.539 3.079 50 0 HGAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000031111383 568914411 /nfs/dbraw/zinc/91/44/11/568914411.db2.gz IMRKAXCZJFBTRS-JOCHJYFZSA-N 0 0 410.539 3.079 50 0 HGAARN CC[C@@H](c1nnc(SCC(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C ZINC000003552206 568914910 /nfs/dbraw/zinc/91/49/10/568914910.db2.gz OOIDWWROTQVACY-INIZCTEOSA-N 0 0 414.535 3.366 50 0 HGAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c2ccccc2S1 ZINC000004288952 568915135 /nfs/dbraw/zinc/91/51/35/568915135.db2.gz CALIHJWWQATEOJ-IVZQSRNASA-N 0 0 409.511 3.371 50 0 HGAARN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Br)cc1F ZINC000012694136 568915871 /nfs/dbraw/zinc/91/58/71/568915871.db2.gz XKVFHKCSDGCZFG-UHFFFAOYSA-N 0 0 413.268 3.281 50 0 HGAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012693992 568915897 /nfs/dbraw/zinc/91/58/97/568915897.db2.gz LPAFRILJVZYMRP-UHFFFAOYSA-N 0 0 419.553 3.494 50 0 HGAARN O=C1CCC[C@@H]1Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000003561259 568915885 /nfs/dbraw/zinc/91/58/85/568915885.db2.gz SFLYXMOXVYVSSE-INIZCTEOSA-N 0 0 407.517 3.125 50 0 HGAARN COc1ccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1Br ZINC000031175598 568917130 /nfs/dbraw/zinc/91/71/30/568917130.db2.gz LUHUOJIQQCLCEX-UHFFFAOYSA-N 0 0 403.276 3.361 50 0 HGAARN Cc1c(CC(=O)N(C)Cc2ccncn2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000012717019 568917889 /nfs/dbraw/zinc/91/78/89/568917889.db2.gz SHSTUJWEUFAISG-UHFFFAOYSA-N 0 0 402.498 3.355 50 0 HGAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(Br)cc1F)C2=O ZINC000003595850 568918501 /nfs/dbraw/zinc/91/85/01/568918501.db2.gz KWIWVVMCCXLFGP-DYZYQPBXSA-N 0 0 412.259 3.027 50 0 HGAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1ccc(F)cc1 ZINC000004166510 568919173 /nfs/dbraw/zinc/91/91/73/568919173.db2.gz MWNFXNPHLOPCTO-UHFFFAOYSA-N 0 0 412.425 3.279 50 0 HGAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O ZINC000003600401 568919231 /nfs/dbraw/zinc/91/92/31/568919231.db2.gz UBJTUCXODSYSFV-LJQANCHMSA-N 0 0 406.269 3.077 50 0 HGAARN COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003615086 568920212 /nfs/dbraw/zinc/92/02/12/568920212.db2.gz FLFOQZKMQLWOKS-UHFFFAOYSA-N 0 0 422.934 3.453 50 0 HGAARN C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc(Br)c1 ZINC000031286252 568922013 /nfs/dbraw/zinc/92/20/13/568922013.db2.gz GJMPOSBZOKGPDC-UKRRQHHQSA-N 0 0 402.292 3.070 50 0 HGAARN CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(CC(=O)N3CCCCC3)c21 ZINC000003641891 568922032 /nfs/dbraw/zinc/92/20/32/568922032.db2.gz QEACHOBUDKZOQZ-UYRXBGFRSA-N 0 0 424.570 3.294 50 0 HGAARN O=C(OCn1ncc(Br)c(Br)c1=O)c1ccccc1Cl ZINC000001386256 568922536 /nfs/dbraw/zinc/92/25/36/568922536.db2.gz SONRITFXFYRCJG-UHFFFAOYSA-N 0 0 422.460 3.236 50 0 HGAARN Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012731781 568922824 /nfs/dbraw/zinc/92/28/24/568922824.db2.gz RIRYHCFCLHQUNW-UHFFFAOYSA-N 0 0 417.771 3.074 50 0 HGAARN Cc1nn(CCCNS(=O)(=O)c2ccc(Cl)cc2)c(C)c1Br ZINC000002780190 568925326 /nfs/dbraw/zinc/92/53/26/568925326.db2.gz SOMSLYMBKWRKDK-UHFFFAOYSA-N 0 0 406.733 3.284 50 0 HGAARN CS(=O)(=O)Nc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1F ZINC000012736478 568925490 /nfs/dbraw/zinc/92/54/90/568925490.db2.gz RRUPKPDPPMIMQQ-UHFFFAOYSA-N 0 0 403.435 3.424 50 0 HGAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 ZINC000012740120 568927059 /nfs/dbraw/zinc/92/70/59/568927059.db2.gz GMCCLPUDGUWVMI-NRFANRHFSA-N 0 0 420.509 3.165 50 0 HGAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012743719 568930154 /nfs/dbraw/zinc/93/01/54/568930154.db2.gz XISUZNQPSCVJFF-ZDUSSCGKSA-N 0 0 403.429 3.348 50 0 HGAARN COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl ZINC000031808502 568931620 /nfs/dbraw/zinc/93/16/20/568931620.db2.gz QUGWFIQBOWLMTB-KRWDZBQOSA-N 0 0 411.289 3.327 50 0 HGAARN CCN(CC)C(=O)c1sc2ncn3nc(-c4c(Cl)cnn4C)nc3c2c1C ZINC000002791558 568932224 /nfs/dbraw/zinc/93/22/24/568932224.db2.gz YMGRTYBZUVJGBW-UHFFFAOYSA-N 0 0 403.899 3.183 50 0 HGAARN Cc1nn(C)cc1S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002804848 568932366 /nfs/dbraw/zinc/93/23/66/568932366.db2.gz IVWFUHJFYXEKPS-UHFFFAOYSA-N 0 0 407.499 3.060 50 0 HGAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1nc(-c2ccccc2)no1 ZINC000012746742 568932720 /nfs/dbraw/zinc/93/27/20/568932720.db2.gz IBUYTZXPUAJTTD-UHFFFAOYSA-N 0 0 404.426 3.197 50 0 HGAARN CCOc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc1OC ZINC000012747162 568932765 /nfs/dbraw/zinc/93/27/65/568932765.db2.gz DHTICGPZCBWSKK-OKILXGFUSA-N 0 0 405.520 3.412 50 0 HGAARN COC(=O)c1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000012747353 568933391 /nfs/dbraw/zinc/93/33/91/568933391.db2.gz AWVVSZLUCVHDNQ-UHFFFAOYSA-N 0 0 419.363 3.123 50 0 HGAARN Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000084052883 568933669 /nfs/dbraw/zinc/93/36/69/568933669.db2.gz IXKFTJXLSYBEFJ-ROUUACIJSA-N 0 0 409.511 3.437 50 0 HGAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(C)cccc3C)n2)ccc1C ZINC000016652313 568935680 /nfs/dbraw/zinc/93/56/80/568935680.db2.gz ZRKJJNATDKMYCT-UHFFFAOYSA-N 0 0 404.470 3.433 50 0 HGAARN Cc1cc(OC[C@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)c(C(C)C)cc1Cl ZINC000084077158 568936104 /nfs/dbraw/zinc/93/61/04/568936104.db2.gz QMECXDIEICFUGZ-JLTOFOAXSA-N 0 0 411.951 3.394 50 0 HGAARN Cc1cc(C)cc(-c2nnc(SCC(=O)CN3C(=O)c4ccccc4C3=O)o2)c1 ZINC000084085995 568936394 /nfs/dbraw/zinc/93/63/94/568936394.db2.gz BHBLTGUIVIIBSI-UHFFFAOYSA-N 0 0 407.451 3.311 50 0 HGAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 ZINC000012749699 568937551 /nfs/dbraw/zinc/93/75/51/568937551.db2.gz HVASXDJDQHSALK-NRFANRHFSA-N 0 0 421.497 3.232 50 0 HGAARN CCCCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C ZINC000004077085 568938212 /nfs/dbraw/zinc/93/82/12/568938212.db2.gz UISVHLGFWWSNTN-LJQANCHMSA-N 0 0 411.568 3.035 50 0 HGAARN COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)cc1 ZINC000004077721 568938379 /nfs/dbraw/zinc/93/83/79/568938379.db2.gz BDSXVORELZTRGV-UHFFFAOYSA-N 0 0 414.512 3.459 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1 ZINC000004077656 568938418 /nfs/dbraw/zinc/93/84/18/568938418.db2.gz MWJVISNKVBDOSG-HNNXBMFYSA-N 0 0 410.503 3.142 50 0 aggregator HGAARN CSc1ccc(C)c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC000012750480 568940371 /nfs/dbraw/zinc/94/03/71/568940371.db2.gz DIMKAJFPSZNEIB-UHFFFAOYSA-N 0 0 406.529 3.459 50 0 HGAARN CNC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000019209367 568941398 /nfs/dbraw/zinc/94/13/98/568941398.db2.gz CGQADRNIGAYAIJ-UHFFFAOYSA-N 0 0 411.483 3.368 50 0 HGAARN COc1ccc(CNC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)cc1OC ZINC000004089511 568941690 /nfs/dbraw/zinc/94/16/90/568941690.db2.gz LRECMRHVYDJGNG-UHFFFAOYSA-N 0 0 411.454 3.295 50 0 biogenic HGAARN COc1cc(C(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1OCC(N)=O ZINC000012754015 568942138 /nfs/dbraw/zinc/94/21/38/568942138.db2.gz GKNRQUNBYIYQLI-UHFFFAOYSA-N 0 0 412.414 3.135 50 0 HGAARN COC(=O)c1ccc(C)c(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000012754320 568942310 /nfs/dbraw/zinc/94/23/10/568942310.db2.gz UJHQSTSATPMIBA-UHFFFAOYSA-N 0 0 416.499 3.209 50 0 HGAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000004103909 568942996 /nfs/dbraw/zinc/94/29/96/568942996.db2.gz HJTRMEGUGUEQFJ-UHFFFAOYSA-N 0 0 416.455 3.112 50 0 HGAARN CN(Cc1ccc(F)cc1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012757690 568943186 /nfs/dbraw/zinc/94/31/86/568943186.db2.gz FWZCFIVYLZQAHN-UHFFFAOYSA-N 0 0 407.405 3.246 50 0 HGAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(C)cc4C)CC3)n2)cc1 ZINC000012757911 568943205 /nfs/dbraw/zinc/94/32/05/568943205.db2.gz HLODDULUNWRQJQ-UHFFFAOYSA-N 0 0 420.513 3.385 50 0 HGAARN COCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1=O)S[C@@H](C)C2 ZINC000004108022 568943750 /nfs/dbraw/zinc/94/37/50/568943750.db2.gz FAHKALLXWZQKAZ-AWEZNQCLSA-N 0 0 419.572 3.274 50 0 HGAARN CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2CCOC)S[C@@H](C)C3)cc1 ZINC000004108070 568943835 /nfs/dbraw/zinc/94/38/35/568943835.db2.gz JTLOWTICFPNUHC-ZDUSSCGKSA-N 0 0 419.572 3.220 50 0 HGAARN Cc1cccc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccccn4)CC3)c(=O)[nH]2)c1 ZINC000084213152 568944590 /nfs/dbraw/zinc/94/45/90/568944590.db2.gz GFLVXLVDJWAGMO-UHFFFAOYSA-N 0 0 416.481 3.236 50 0 HGAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)C1CC1 ZINC000004121273 568944998 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O=C(CCCCCNC(=O)c1cnccn1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000253400963 569051325 /nfs/dbraw/zinc/05/13/25/569051325.db2.gz FHAGMDBQKUCZRS-FQEVSTJZSA-N 0 0 420.517 3.397 50 0 HGAARN O=C(CCCCCNC(=O)c1cnccn1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000253400964 569051353 /nfs/dbraw/zinc/05/13/53/569051353.db2.gz FHAGMDBQKUCZRS-HXUWFJFHSA-N 0 0 420.517 3.397 50 0 HGAARN COc1ccc([C@@H]2c3cn(C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1OC ZINC000524729475 569051601 /nfs/dbraw/zinc/05/16/01/569051601.db2.gz VKGZVYIKCGXZAQ-OAQYLSRUSA-N 0 0 417.465 3.396 50 0 biogenic HGAARN CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c23)CO1 ZINC000001767528 569052189 /nfs/dbraw/zinc/05/21/89/569052189.db2.gz VYCKVWDIILFHNB-CYBMUJFWSA-N 0 0 418.544 3.372 50 0 HGAARN COc1ccc(-c2csc(NC(=O)C3=C[C@@H]4C=CC=C[C@@H]4OC3=O)n2)c(OC)c1 ZINC000006441389 569052811 /nfs/dbraw/zinc/05/28/11/569052811.db2.gz PYEVZSXBSYBGFU-SJCJKPOMSA-N 0 0 410.451 3.360 50 0 HGAARN O=C(c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCCC1 ZINC000001785739 569053023 /nfs/dbraw/zinc/05/30/23/569053023.db2.gz JTCJIHLLSUBHGH-UHFFFAOYSA-N 0 0 423.900 3.396 50 0 HGAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nnc(C2CCCCC2)s1 ZINC000049543778 569053150 /nfs/dbraw/zinc/05/31/50/569053150.db2.gz ZEYQGMVYJXEGAI-YDHLFZDLSA-N 0 0 409.581 3.250 50 0 biogenic HGAARN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1CCc2ccccc21 ZINC000016472275 569053165 /nfs/dbraw/zinc/05/31/65/569053165.db2.gz WNAHGHIEMAQFHU-KRWDZBQOSA-N 0 0 413.271 3.239 50 0 HGAARN Cc1cccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)N(C)C)s2)c1 ZINC000035723896 569053338 /nfs/dbraw/zinc/05/33/38/569053338.db2.gz CXXABGLAHIWOAW-QGZVFWFLSA-N 0 0 409.515 3.335 50 0 HGAARN COc1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1O ZINC000001803637 569053451 /nfs/dbraw/zinc/05/34/51/569053451.db2.gz OQHIGQNYZKAIPR-ZBFHGGJFSA-N 0 0 417.259 3.333 50 0 biogenic HGAARN COc1cc(C(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc(OC)c1OC ZINC000054992094 569053632 /nfs/dbraw/zinc/05/36/32/569053632.db2.gz FBAIWUFOUWHOSJ-UHFFFAOYSA-N 0 0 409.486 3.152 50 0 biogenic HGAARN O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 ZINC000239434094 569054383 /nfs/dbraw/zinc/05/43/83/569054383.db2.gz YYZLPFUCOFKCEG-XUVXKRRUSA-N 0 0 409.461 3.106 50 0 HGAARN CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1OCC ZINC000240540856 569054650 /nfs/dbraw/zinc/05/46/50/569054650.db2.gz GPSRANQBHUXYCB-AEFFLSMTSA-N 0 0 405.539 3.049 50 0 HGAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2C)[C@@H]1C ZINC000242389516 569055029 /nfs/dbraw/zinc/05/50/29/569055029.db2.gz ZXUWKZYXTVDXLD-ZXFNITATSA-N 0 0 416.547 3.361 50 0 HGAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1 ZINC000016505475 569058318 /nfs/dbraw/zinc/05/83/18/569058318.db2.gz CRHKAXWZRKUQBZ-UHFFFAOYSA-N 0 0 410.442 3.013 50 0 HGAARN CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1cccc(C)c1 ZINC000089300587 569058321 /nfs/dbraw/zinc/05/83/21/569058321.db2.gz CJNWYMVACCIKLO-UHFFFAOYSA-N 0 0 407.499 3.351 50 0 HGAARN Cc1cccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1C ZINC000001910816 569058770 /nfs/dbraw/zinc/05/87/70/569058770.db2.gz PVZMKWXREIOGBX-HXUWFJFHSA-N 0 0 408.454 3.106 50 0 HGAARN CCc1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001916975 569059274 /nfs/dbraw/zinc/05/92/74/569059274.db2.gz INHLGVBLSVQRNJ-HXUWFJFHSA-N 0 0 422.481 3.442 50 0 HGAARN NC(=O)c1cc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)ccc1F ZINC000064386099 569059523 /nfs/dbraw/zinc/05/95/23/569059523.db2.gz MBNXIMPTQSEQPE-GOSISDBHSA-N 0 0 405.838 3.146 50 0 HGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000001940311 569059878 /nfs/dbraw/zinc/05/98/78/569059878.db2.gz GBHLWCVZNDIVNH-LLVKDONJSA-N 0 0 400.456 3.165 50 0 HGAARN Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000026897937 569060014 /nfs/dbraw/zinc/06/00/14/569060014.db2.gz BEJUJAOYHDINSW-UHFFFAOYSA-N 0 0 415.497 3.273 50 0 HGAARN COCc1ccc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)c3ccc(COC)cc3)C2)cc1 ZINC000089420324 569060090 /nfs/dbraw/zinc/06/00/90/569060090.db2.gz SLNPESNZYCNROB-HSZRJFAPSA-N 0 0 422.525 3.499 50 0 HGAARN COc1ccc(-c2nc(CN3CCNC(=O)C[C@@H]3C(F)(F)F)cs2)c(OC)c1 ZINC000089434885 569060398 /nfs/dbraw/zinc/06/03/98/569060398.db2.gz YSAMFCAWWICRSE-OAHLLOKOSA-N 0 0 415.437 3.080 50 0 HGAARN Cc1oc2c(cc3c(C)c(CC(=O)N4CCC(C(N)=O)CC4)c(=O)oc3c2C)c1C ZINC000002120544 569060512 /nfs/dbraw/zinc/06/05/12/569060512.db2.gz CIOSQYMQHWWBFO-UHFFFAOYSA-N 0 0 410.470 3.039 50 0 biogenic HGAARN Cc1ccc(Nc2nc(N=NCc3ccccc3F)nc(N3CCOCC3)n2)cc1 ZINC000252611086 569060819 /nfs/dbraw/zinc/06/08/19/569060819.db2.gz IHEQORDSFXSAAO-UHFFFAOYSA-N 0 0 407.453 3.345 50 0 HGAARN COc1cccc(NC(=O)COc2ccc(C(=O)NCCC3=CCOCC3)cc2)c1 ZINC000089470228 569060942 /nfs/dbraw/zinc/06/09/42/569060942.db2.gz OXFYWSQYZKFMJI-UHFFFAOYSA-N 0 0 410.470 3.179 50 0 HGAARN Cc1oc(C)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1Br ZINC000089505512 569061516 /nfs/dbraw/zinc/06/15/16/569061516.db2.gz AOQXOZUOTHLRFC-UHFFFAOYSA-N 0 0 405.170 3.445 50 0 HGAARN COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC ZINC000016643587 569061534 /nfs/dbraw/zinc/06/15/34/569061534.db2.gz KJIVOVOCYPMJST-UHFFFAOYSA-N 0 0 420.531 3.308 50 0 HGAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCCCO4)cc2)n1 ZINC000006509219 569061898 /nfs/dbraw/zinc/06/18/98/569061898.db2.gz UUZHTSILOBPEMN-UHFFFAOYSA-N 0 0 421.453 3.446 50 0 HGAARN O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000006509849 569061985 /nfs/dbraw/zinc/06/19/85/569061985.db2.gz NIWBIMYAPFOWER-UHFFFAOYSA-N 0 0 408.589 3.234 50 0 HGAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)ccc1C ZINC000006509765 569062000 /nfs/dbraw/zinc/06/20/00/569062000.db2.gz IDGAQHAISHSYOO-UHFFFAOYSA-N 0 0 417.531 3.433 50 0 HGAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O ZINC000064438473 569062179 /nfs/dbraw/zinc/06/21/79/569062179.db2.gz UPHNXMJNVUOOBF-UHFFFAOYSA-N 0 0 411.477 3.047 50 0 HGAARN Cc1c(I)cnn1CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000006527569 569063173 /nfs/dbraw/zinc/06/31/73/569063173.db2.gz MFYCQPVGIGQDCE-UHFFFAOYSA-N 0 0 413.303 3.271 50 0 HGAARN CC[C@H]1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000006529845 569063453 /nfs/dbraw/zinc/06/34/53/569063453.db2.gz FKYWOIWVTQIBQX-HNNXBMFYSA-N 0 0 411.531 3.300 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CCN[C@]31c2cc(Br)ccc2N(C)C1=O ZINC000020064239 569064262 /nfs/dbraw/zinc/06/42/62/569064262.db2.gz GRZGOGSYCCMWLE-HXUWFJFHSA-N 0 0 412.287 3.305 50 0 biogenic HGAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCc3ccccc32)c1 ZINC000006549268 569064867 /nfs/dbraw/zinc/06/48/67/569064867.db2.gz JVPNCHFVXMDRPX-UHFFFAOYSA-N 0 0 401.532 3.027 50 0 HGAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2 ZINC000006549925 569064924 /nfs/dbraw/zinc/06/49/24/569064924.db2.gz HZAMVPFYXZBRAF-UHFFFAOYSA-N 0 0 408.483 3.282 50 0 HGAARN Cn1c2cc(NC(=O)CCC3CCCC3)c(N3CCCCC3)cc2n(C)c(=O)c1=O ZINC000064526302 569065854 /nfs/dbraw/zinc/06/58/54/569065854.db2.gz WWUGKVVDPDALOW-UHFFFAOYSA-N 0 0 412.534 3.136 50 0 HGAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCC(C)C)C2 ZINC000035911101 569065968 /nfs/dbraw/zinc/06/59/68/569065968.db2.gz QVLVIOAFHDZEDO-JTHBVZDNSA-N 0 0 411.521 3.474 50 0 HGAARN O=C(CSc1nnc(NC2CCCCC2)s1)NCc1ccc2c(c1)OCO2 ZINC000006566298 569066322 /nfs/dbraw/zinc/06/63/22/569066322.db2.gz KXGFZLFXQXOSPV-UHFFFAOYSA-N 0 0 406.533 3.420 50 0 HGAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1nnc2ccccc2c1=O ZINC000006580156 569066858 /nfs/dbraw/zinc/06/68/58/569066858.db2.gz SAFNQWYMKBKWMP-UHFFFAOYSA-N 0 0 406.364 3.238 50 0 HGAARN CC(C)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000006580600 569066951 /nfs/dbraw/zinc/06/69/51/569066951.db2.gz ANMDFNUSPSJQRY-JOCHJYFZSA-N 0 0 403.482 3.261 50 0 HGAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)NC1CCCCC1)C2 ZINC000064566461 569067016 /nfs/dbraw/zinc/06/70/16/569067016.db2.gz WTOPAMCKIPBCIC-UHFFFAOYSA-N 0 0 420.517 3.461 50 0 HGAARN Cn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)c1c(F)cccc1Cl)C2 ZINC000064566081 569067118 /nfs/dbraw/zinc/06/71/18/569067118.db2.gz ZSQOSXIROOPLAA-UHFFFAOYSA-N 0 0 401.829 3.339 50 0 HGAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1)C(=O)C1CC1 ZINC000035947113 569067299 /nfs/dbraw/zinc/06/72/99/569067299.db2.gz FFHYIRPWSBDYGE-QFIPXVFZSA-N 0 0 423.488 3.388 50 0 HGAARN Cc1cc2nc3sc(C)nn3c(=O)c2n1CC(=O)Nc1ccc(F)cc1Cl ZINC000064567278 569067320 /nfs/dbraw/zinc/06/73/20/569067320.db2.gz QTCMOAUIBLEVFY-UHFFFAOYSA-N 0 0 405.842 3.154 50 0 HGAARN CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)c1 ZINC000024925661 569067487 /nfs/dbraw/zinc/06/74/87/569067487.db2.gz WCVWSSJYXAODPG-AQTBWJFISA-N 0 0 402.447 3.201 50 0 HGAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1)C(C)=O ZINC000035949387 569067863 /nfs/dbraw/zinc/06/78/63/569067863.db2.gz DUULDWWPUXLTDO-HSZRJFAPSA-N 0 0 407.514 3.476 50 0 HGAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1C ZINC000006582251 569067915 /nfs/dbraw/zinc/06/79/15/569067915.db2.gz VLAHPNCOQPFZAO-UHFFFAOYSA-N 0 0 400.460 3.276 50 0 HGAARN COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000006583663 569068000 /nfs/dbraw/zinc/06/80/00/569068000.db2.gz LZTXEQOKRXTUSC-UHFFFAOYSA-N 0 0 401.444 3.411 50 0 HGAARN O=C(CNC(=O)C1CCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035961854 569068814 /nfs/dbraw/zinc/06/88/14/569068814.db2.gz BDUPYNRJJGXYRP-MRXNPFEDSA-N 0 0 411.483 3.071 50 0 HGAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000006597186 569069299 /nfs/dbraw/zinc/06/92/99/569069299.db2.gz YEAJRMXOACUUDO-UHFFFAOYSA-N 0 0 404.463 3.068 50 0 HGAARN COc1cccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)c1 ZINC000064593274 569069445 /nfs/dbraw/zinc/06/94/45/569069445.db2.gz WKSUTZFIQVFSEQ-UHFFFAOYSA-N 0 0 410.430 3.003 50 0 HGAARN COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000064593174 569069457 /nfs/dbraw/zinc/06/94/57/569069457.db2.gz JXPZPCUUHTVWPJ-UHFFFAOYSA-N 0 0 410.430 3.003 50 0 HGAARN CCOc1ccc(-n2ccn3c(SCC(=O)c4ccccc4)nnc3c2=O)cc1 ZINC000064593803 569069598 /nfs/dbraw/zinc/06/95/98/569069598.db2.gz NYYBKIUPPDRDFB-UHFFFAOYSA-N 0 0 406.467 3.254 50 0 HGAARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)no1 ZINC000006602667 569070104 /nfs/dbraw/zinc/07/01/04/569070104.db2.gz BAVJBVBCTKESGP-OAHLLOKOSA-N 0 0 407.426 3.270 50 0 HGAARN Nn1c(Cc2ccccc2F)nnc1SCc1nnc(-c2ccc(F)cc2)o1 ZINC000006602806 569070264 /nfs/dbraw/zinc/07/02/64/569070264.db2.gz YWRIVGQXJPLJTF-UHFFFAOYSA-N 0 0 400.414 3.203 50 0 HGAARN COc1cccc(CN(C)C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000006602926 569070431 /nfs/dbraw/zinc/07/04/31/569070431.db2.gz CSQVDQDWCDNKQZ-OAQYLSRUSA-N 0 0 418.559 3.355 50 0 HGAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)cc3)cc(NC(C)=O)c2=O)cc1 ZINC000064604922 569070906 /nfs/dbraw/zinc/07/09/06/569070906.db2.gz ITYUFNCTEUJJRX-HNNXBMFYSA-N 0 0 420.469 3.385 50 0 HGAARN CCc1ccc(-c2cc(NC(C)=O)c(=O)n(CC(=O)Nc3ccccc3F)n2)cc1 ZINC000064604974 569070928 /nfs/dbraw/zinc/07/09/28/569070928.db2.gz JCCFASQCTICXMG-UHFFFAOYSA-N 0 0 408.433 3.209 50 0 HGAARN COc1ccc(C)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)cc(NC(C)=O)c1=O ZINC000064604904 569070936 /nfs/dbraw/zinc/07/09/36/569070936.db2.gz MXHHXXMVIWTEQW-UHFFFAOYSA-N 0 0 420.469 3.133 50 0 HGAARN CCCNC(=O)CN(CCC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC ZINC000054327741 569071178 /nfs/dbraw/zinc/07/11/78/569071178.db2.gz XAONGBZKVZBCOC-UHFFFAOYSA-N 0 0 407.518 3.497 50 0 HGAARN O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000006605939 569071187 /nfs/dbraw/zinc/07/11/87/569071187.db2.gz UOGGFFAOCWKLDO-UHFFFAOYSA-N 0 0 402.450 3.362 50 0 HGAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006609341 569071933 /nfs/dbraw/zinc/07/19/33/569071933.db2.gz IKMPQJFZPUHJAH-AWEZNQCLSA-N 0 0 414.483 3.155 50 0 HGAARN CCc1cnc(N2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2OC)C3=O)nc1 ZINC000426512180 569073229 /nfs/dbraw/zinc/07/32/29/569073229.db2.gz OKFIMXQUWMNNCB-QHCPKHFHSA-N 0 0 410.518 3.075 50 0 HGAARN Cc1noc(C)c1CN1CCc2c(C(=O)N3CCCC[C@@H]3CCO)csc2C1 ZINC000426563472 569073473 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ZINC000064665472 569078323 /nfs/dbraw/zinc/07/83/23/569078323.db2.gz SYJCKQOFBIZTKV-UHFFFAOYSA-N 0 0 422.460 3.007 50 0 HGAARN O=C(c1ccc(Cl)cc1)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2C1CC1 ZINC000036026496 569079723 /nfs/dbraw/zinc/07/97/23/569079723.db2.gz LROPDJAKZIUEFP-NRFANRHFSA-N 0 0 423.944 3.478 50 0 HGAARN CC[C@@H](C)N1C(=O)[C@@H](CC(C)C)NC12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036032834 569079951 /nfs/dbraw/zinc/07/99/51/569079951.db2.gz LYVQWLFNUUSBBX-UYAOXDASSA-N 0 0 421.607 3.121 50 0 HGAARN CCOC(=O)c1sc2[nH]c(C=Cc3cc(OC)c(O)c(OC)c3)nc(=O)c2c1C ZINC000006651884 569081729 /nfs/dbraw/zinc/08/17/29/569081729.db2.gz KQKXKDDOEXIDGH-VOTSOKGWSA-N 0 0 416.455 3.363 50 0 HGAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCC(C)C)c1 ZINC000036045224 569081945 /nfs/dbraw/zinc/08/19/45/569081945.db2.gz VDKDTTVMALHEAW-QZTJIDSGSA-N 0 0 416.543 3.393 50 0 HGAARN COc1ccc(OC)c([C@H]2CN(C(=O)CC(C)(C)C)C[C@H]2C(=O)NCC(C)C)c1 ZINC000036045248 569081959 /nfs/dbraw/zinc/08/19/59/569081959.db2.gz 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Cc1ccccc1[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1C(=O)N1CCOCC1 ZINC000036052457 569083831 /nfs/dbraw/zinc/08/38/31/569083831.db2.gz LVSPMWHWRRORMZ-NHCUHLMSSA-N 0 0 412.917 3.363 50 0 HGAARN CCCCNC(=O)[C@@H]1CN(C(=O)NC(C)(C)C)C[C@@H]1c1cccc(OC)c1OC ZINC000036055273 569084500 /nfs/dbraw/zinc/08/45/00/569084500.db2.gz XYCNZTAGTUUZCO-IAGOWNOFSA-N 0 0 405.539 3.144 50 0 HGAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)N2CCCC2)c1 ZINC000036059317 569084665 /nfs/dbraw/zinc/08/46/65/569084665.db2.gz PFYTZRAGKMEZSB-SFTDATJTSA-N 0 0 408.498 3.182 50 0 HGAARN O=C(NCCNC(=O)c1cnccn1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006661172 569085265 /nfs/dbraw/zinc/08/52/65/569085265.db2.gz LDZMJSZRXUQLPO-UHFFFAOYSA-N 0 0 405.241 3.203 50 0 HGAARN CCn1c2nc(C)n(Cc3cc(C(=O)OC)ccc3OC)c(=O)c2sc1=S ZINC000006669485 569086226 /nfs/dbraw/zinc/08/62/26/569086226.db2.gz FFUNUOMLGLRFTO-UHFFFAOYSA-N 0 0 405.501 3.161 50 0 HGAARN CCOC(=O)C1=C(CN2CC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000036080267 569087098 /nfs/dbraw/zinc/08/70/98/569087098.db2.gz WCLXLKQTPFXVDL-AVRDEDQJSA-N 0 0 423.488 3.486 50 0 HGAARN CSCC[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCc1ccccc1 ZINC000006672416 569087201 /nfs/dbraw/zinc/08/72/01/569087201.db2.gz ULJWVPPKIVDAOU-SFHVURJKSA-N 0 0 423.542 3.004 50 0 HGAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O ZINC000064746848 569088376 /nfs/dbraw/zinc/08/83/76/569088376.db2.gz LGRJIZKPRAAOIV-UHFFFAOYSA-N 0 0 422.466 3.299 50 0 HGAARN COc1ccc(CN(Cc2ccco2)C[C@@H](O)COCc2ccco2)cc1OC ZINC000036095728 569089961 /nfs/dbraw/zinc/08/99/61/569089961.db2.gz MAXJCHRIANSBEI-GOSISDBHSA-N 0 0 401.459 3.470 50 0 HGAARN CCc1ccc(NC(=O)Cn2c(=O)c(C(=O)NC3CC3)cnc2-c2ccccc2)cc1 ZINC000064759401 569090700 /nfs/dbraw/zinc/09/07/00/569090700.db2.gz UVWLWPMATQIMDJ-UHFFFAOYSA-N 0 0 416.481 3.004 50 0 HGAARN CNC(=O)c1cnc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cc(C)ccc2C)c1=O ZINC000064759424 569090862 /nfs/dbraw/zinc/09/08/62/569090862.db2.gz NITIKCIJQVNXQD-UHFFFAOYSA-N 0 0 424.888 3.179 50 0 HGAARN COCC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(OC)c(OC)c2)=NO1 ZINC000006695144 569091531 /nfs/dbraw/zinc/09/15/31/569091531.db2.gz TUJLLEVZLFBGIM-GOSISDBHSA-N 0 0 416.449 3.011 50 0 HGAARN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)C)c1OC ZINC000036103723 569092345 /nfs/dbraw/zinc/09/23/45/569092345.db2.gz XSSHZKLQPVPXMY-LJQANCHMSA-N 0 0 417.502 3.221 50 0 HGAARN CCC(=O)N(CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119342 569094200 /nfs/dbraw/zinc/09/42/00/569094200.db2.gz CNDPMGATOAYHKX-IBGZPJMESA-N 0 0 416.543 3.138 50 0 HGAARN Cc1cccc(-c2c3c(c4n2CCO[C@H]4c2ccccc2F)n(C)c(=O)n(C)c3=O)c1 ZINC000064788227 569094473 /nfs/dbraw/zinc/09/44/73/569094473.db2.gz HYIVFDCPCSULFY-QFIPXVFZSA-N 0 0 419.456 3.273 50 0 HGAARN COCCCNC(=O)c1cccc(Nc2cc(C)nc3nc(-c4cccnc4)nn32)c1 ZINC000064791611 569095766 /nfs/dbraw/zinc/09/57/66/569095766.db2.gz VWKAZOIHKOPIAV-UHFFFAOYSA-N 0 0 417.473 3.005 50 0 HGAARN COc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000064791841 569095829 /nfs/dbraw/zinc/09/58/29/569095829.db2.gz DQWJMSFILPQHCN-UHFFFAOYSA-N 0 0 421.432 3.029 50 0 HGAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2ncc(C)s2)c1C ZINC000064792352 569095966 /nfs/dbraw/zinc/09/59/66/569095966.db2.gz SSRMTELXZDWVPG-UHFFFAOYSA-N 0 0 422.514 3.223 50 0 HGAARN O=C(CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1)NC1CC1 ZINC000064793704 569096110 /nfs/dbraw/zinc/09/61/10/569096110.db2.gz JVKMEBAWAONBDE-IBGZPJMESA-N 0 0 406.877 3.056 50 0 HGAARN CCCCS(=O)(=O)N1CCN(c2cc(C)nc(Nc3ccc(C)cc3)n2)CC1 ZINC000064800616 569097394 /nfs/dbraw/zinc/09/73/94/569097394.db2.gz AARXMGGGCKOOLO-UHFFFAOYSA-N 0 0 403.552 3.089 50 0 HGAARN CCOC(=O)c1sc2nc(C)n(CC(=O)Nc3ccc(C)c(F)c3)c(=O)c2c1C ZINC000006720540 569098232 /nfs/dbraw/zinc/09/82/32/569098232.db2.gz HUPOEEFZKAEMQP-UHFFFAOYSA-N 0 0 417.462 3.338 50 0 HGAARN COc1ccc(CNC(=O)CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000064817811 569101072 /nfs/dbraw/zinc/10/10/72/569101072.db2.gz VMYWFYOYAFTGAV-UHFFFAOYSA-N 0 0 424.888 3.265 50 0 HGAARN 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O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(S(=O)(=O)NCc2ccco2)c1 ZINC000006921124 569182510 /nfs/dbraw/zinc/18/25/10/569182510.db2.gz JIYCWXXZORTZQZ-UHFFFAOYSA-N 0 0 410.373 3.428 50 0 HGAARN COC(=O)c1ccc(NC(=O)CSc2cc(N3CCCC[C@@H]3C)ncn2)cc1 ZINC000065133475 569182995 /nfs/dbraw/zinc/18/29/95/569182995.db2.gz KMZHUNUWLWXQAP-AWEZNQCLSA-N 0 0 400.504 3.373 50 0 HGAARN CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006931327 569184343 /nfs/dbraw/zinc/18/43/43/569184343.db2.gz FMAJCKLMNNAQFP-UHFFFAOYSA-N 0 0 423.538 3.257 50 0 HGAARN O=C(Cn1c(=O)cccc1-c1nc(-c2cccc(F)c2)no1)Nc1ccccc1F ZINC000065150299 569184773 /nfs/dbraw/zinc/18/47/73/569184773.db2.gz APVRGCDZADPXKB-UHFFFAOYSA-N 0 0 408.364 3.482 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3c(Sc4cccc(C)c4)nccn3c2=O)cc1 ZINC000065150926 569186217 /nfs/dbraw/zinc/18/62/17/569186217.db2.gz UYILNYKUPVXYGT-UHFFFAOYSA-N 0 0 405.483 3.298 50 0 HGAARN O=C(CSc1nccc(N2CCCCC2)n1)N1CCN(c2ccccc2F)CC1 ZINC000065151380 569186273 /nfs/dbraw/zinc/18/62/73/569186273.db2.gz JAMDRQKPZZWKBO-UHFFFAOYSA-N 0 0 415.538 3.047 50 0 HGAARN CC(C)c1cccc(NC(=O)Cn2nc3c(N4CCCCCC4)nccn3c2=O)c1 ZINC000065151507 569186366 /nfs/dbraw/zinc/18/63/66/569186366.db2.gz JQUYXSFEXVOOCB-UHFFFAOYSA-N 0 0 408.506 3.034 50 0 HGAARN Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)ccc12 ZINC000006940756 569186500 /nfs/dbraw/zinc/18/65/00/569186500.db2.gz JQKIVNUHKDRTSO-UHFFFAOYSA-N 0 0 412.467 3.076 50 0 HGAARN C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000006941796 569186720 /nfs/dbraw/zinc/18/67/20/569186720.db2.gz QTZSMLKLXCMKOM-HNNXBMFYSA-N 0 0 412.511 3.177 50 0 HGAARN CC[C@@H](C(=O)NCc1ccco1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000006944357 569187154 /nfs/dbraw/zinc/18/71/54/569187154.db2.gz AWLBBSDUWOHVRH-SFHVURJKSA-N 0 0 405.458 3.060 50 0 HGAARN COc1ccc(COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1F ZINC000006944554 569187224 /nfs/dbraw/zinc/18/72/24/569187224.db2.gz UCCSWXOJTGTGHX-ZSEKCTLFSA-N 0 0 406.454 3.014 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O=C(C1CCC1)N1CCc2sc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1 ZINC000065196283 569194540 /nfs/dbraw/zinc/19/45/40/569194540.db2.gz WOBHNWLKOIKZTM-UHFFFAOYSA-N 0 0 408.520 3.051 50 0 HGAARN COc1ccc(-c2cc3nn(CC(=O)Nc4c(C)cccc4C)c(=O)n3c(C)n2)cc1 ZINC000065196645 569194817 /nfs/dbraw/zinc/19/48/17/569194817.db2.gz UWPBNHIEAHTUKT-UHFFFAOYSA-N 0 0 417.469 3.131 50 0 HGAARN COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1 ZINC000065209343 569195437 /nfs/dbraw/zinc/19/54/37/569195437.db2.gz NTKZRJJBNJUEJS-SFHVURJKSA-N 0 0 424.526 3.345 50 0 HGAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nnc(N3CCSCC3)o2)cc1 ZINC000065209410 569195507 /nfs/dbraw/zinc/19/55/07/569195507.db2.gz FYJGQLGUXHFGFP-LJQANCHMSA-N 0 0 424.526 3.345 50 0 HGAARN CCn1c(SCC(=O)Nc2cccc(N3CCCC3=O)c2)nnc1-c1ccco1 ZINC000006988199 569195973 /nfs/dbraw/zinc/19/59/73/569195973.db2.gz GZBXJFWLJIJVRF-UHFFFAOYSA-N 0 0 411.487 3.416 50 0 HGAARN O=C(NC[C@@H]1CCCO1)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000065211664 569196974 /nfs/dbraw/zinc/19/69/74/569196974.db2.gz UUFFPGARLCZHLM-INIZCTEOSA-N 0 0 406.939 3.032 50 0 HGAARN COc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(C)nn23)cc1 ZINC000065217279 569197832 /nfs/dbraw/zinc/19/78/32/569197832.db2.gz DXTWFWLPYPFAKT-UHFFFAOYSA-N 0 0 414.512 3.253 50 0 HGAARN CSc1cccc(N2C(=O)N(Cc3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000007005699 569198631 /nfs/dbraw/zinc/19/86/31/569198631.db2.gz NGCDYPVPSFXKDM-RBUKOAKNSA-N 0 0 402.541 3.325 50 0 HGAARN CCN1CCCn2nc(C3CCN(C(=O)c4nccc5ccccc54)CC3)cc2C1=O ZINC000065225801 569199701 /nfs/dbraw/zinc/19/97/01/569199701.db2.gz JYSMNNJMGDIRAD-UHFFFAOYSA-N 0 0 417.513 3.317 50 0 HGAARN O=C(C1CC1)N1CCc2ccccc2[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000065230885 569200787 /nfs/dbraw/zinc/20/07/87/569200787.db2.gz RSRYIVDVWWKNIT-JOCHJYFZSA-N 0 0 407.489 3.010 50 0 HGAARN C[C@@H](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000007016120 569201032 /nfs/dbraw/zinc/20/10/32/569201032.db2.gz QXAPWJIDMMHYCM-HNNXBMFYSA-N 0 0 422.934 3.493 50 0 HGAARN COc1cccc(CC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)c1 ZINC000065232207 569201883 /nfs/dbraw/zinc/20/18/83/569201883.db2.gz KVJNHTOLMQCLPO-UHFFFAOYSA-N 0 0 411.502 3.176 50 0 HGAARN CCN1c2ccccc2C(=O)NC12CCN(C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000065235477 569202321 /nfs/dbraw/zinc/20/23/21/569202321.db2.gz SGXBWKJRMJCSCC-UHFFFAOYSA-N 0 0 408.458 3.009 50 0 biogenic HGAARN CCN1c2ccc(F)cc2C(=O)NC12CCN(C(=O)c1ccc(OC)cc1C)CC2 ZINC000065235224 569202332 /nfs/dbraw/zinc/20/23/32/569202332.db2.gz BEJFVWTZOWVCTQ-UHFFFAOYSA-N 0 0 411.477 3.345 50 0 biogenic HGAARN CC[C@H](C)[C@@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000036579985 569202842 /nfs/dbraw/zinc/20/28/42/569202842.db2.gz DQVCUIMSLAVQPE-QTGUNEKASA-N 0 0 410.558 3.483 50 0 HGAARN COc1ccc(NC(=O)c2cn(-c3cc(N4CCC[C@@H](C)C4)ncn3)cn2)c(OC)c1 ZINC000065239925 569203636 /nfs/dbraw/zinc/20/36/36/569203636.db2.gz BPKHYRUMMOLNIZ-OAHLLOKOSA-N 0 0 422.489 3.168 50 0 HGAARN COc1cccc(CNC(=O)c2nc(-c3ccnc(N4CCC(C)CC4)c3)no2)c1 ZINC000065246033 569205462 /nfs/dbraw/zinc/20/54/62/569205462.db2.gz JXSVNWXTPIRVHI-UHFFFAOYSA-N 0 0 407.474 3.307 50 0 HGAARN CCCCN1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1 ZINC000065246705 569205658 /nfs/dbraw/zinc/20/56/58/569205658.db2.gz VFBRIMXHMYMGIL-UHFFFAOYSA-N 0 0 408.524 3.094 50 0 HGAARN Cc1nc(-c2noc(-c3ccccc3)n2)cn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000065250267 569206111 /nfs/dbraw/zinc/20/61/11/569206111.db2.gz PFIXOJZFHDVEBI-UHFFFAOYSA-N 0 0 403.398 3.276 50 0 HGAARN Cc1cc(C(=O)N2CCN(Cc3ccco3)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616582 569207607 /nfs/dbraw/zinc/20/76/07/569207607.db2.gz BSBGKQKOEPFYRD-UHFFFAOYSA-N 0 0 419.460 3.419 50 0 HGAARN CCOCn1cc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2cnn3C)cn1 ZINC000036613522 569209274 /nfs/dbraw/zinc/20/92/74/569209274.db2.gz DYTOERFQXZXMDL-UHFFFAOYSA-N 0 0 406.446 3.087 50 0 HGAARN O=C1CCCN1c1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000036614485 569209503 /nfs/dbraw/zinc/20/95/03/569209503.db2.gz GFSGOMXIDBEMNE-UHFFFAOYSA-N 0 0 413.524 3.415 50 0 HGAARN Cc1nn(C)cc1C[C@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccccc1 ZINC000036614344 569209545 /nfs/dbraw/zinc/20/95/45/569209545.db2.gz OUVBAFNCUPIEGC-HNNXBMFYSA-N 0 0 416.529 3.499 50 0 HGAARN CCOc1ccc(NC(=O)CCn2c3nn(C)cc3c(C(F)(F)F)cc2=O)cc1 ZINC000036621550 569212095 /nfs/dbraw/zinc/21/20/95/569212095.db2.gz HZKHBFBFWVBUNN-UHFFFAOYSA-N 0 0 408.380 3.181 50 0 HGAARN COc1ccc2cc([C@@H]3C4=CNNC4=Nc4c5ccccc5oc(=O)c43)c(=O)[nH]c2c1 ZINC000524731898 569212505 /nfs/dbraw/zinc/21/25/05/569212505.db2.gz OLRRXHJVJJJRKV-GOSISDBHSA-N 0 0 412.405 3.223 50 0 biogenic HGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1c[nH]c2ccc(F)cc12 ZINC000524732492 569213214 /nfs/dbraw/zinc/21/32/14/569213214.db2.gz IOUNTCGRCGFHJN-WGGBDISSSA-N 0 0 407.445 3.076 50 0 HGAARN Cn1c(=O)c2ccnn2c2ccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc21 ZINC000065270616 569213396 /nfs/dbraw/zinc/21/33/96/569213396.db2.gz YXMNFYMEULYQDE-UHFFFAOYSA-N 0 0 416.359 3.015 50 0 HGAARN CCOc1cc(CNC(=O)c2ccc3c(c2)n(CC)c(=O)c2ccnn23)ccc1OC ZINC000065270840 569213433 /nfs/dbraw/zinc/21/34/33/569213433.db2.gz MNRGMKGHVYZMFQ-UHFFFAOYSA-N 0 0 420.469 3.006 50 0 HGAARN Cc1c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000007052126 569214179 /nfs/dbraw/zinc/21/41/79/569214179.db2.gz AAXQMIBECKNBOG-UHFFFAOYSA-N 0 0 411.405 3.304 50 0 HGAARN C=C1C(N2CCC(NC(=O)Nc3ccccc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271840 569215345 /nfs/dbraw/zinc/21/53/45/569215345.db2.gz YXUVSPYJKLTLEY-UHFFFAOYSA-N 0 0 424.526 3.446 50 0 HGAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1Cc1ccco1 ZINC000007062637 569217010 /nfs/dbraw/zinc/21/70/10/569217010.db2.gz XBQGNBGCVXHWGY-XMMPIXPASA-N 0 0 417.465 3.322 50 0 HGAARN CCOC(=O)Cn1nnc2c(sc3nc4c(c(-c5ccccc5)c32)CCC4)c1=O ZINC000007089613 569217686 /nfs/dbraw/zinc/21/76/86/569217686.db2.gz PVTCNFFCFQDLGK-UHFFFAOYSA-N 0 0 406.467 3.120 50 0 HGAARN CC1CCN(c2ncc3c(n2)CC[C@@H](C(=O)NCc2nc4ccccc4n2C)C3)CC1 ZINC000065289539 569217832 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CC(C)CC(=O)N1CCC(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)CC1 ZINC000253418135 569367558 /nfs/dbraw/zinc/36/75/58/569367558.db2.gz KESZDGZIXPEUHQ-UHFFFAOYSA-N 0 0 406.433 3.441 50 0 HGAARN NC(=O)c1ccccc1NCc1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000253427981 569368486 /nfs/dbraw/zinc/36/84/86/569368486.db2.gz BYBJXMIMLGPRKH-UHFFFAOYSA-N 0 0 401.426 3.422 50 0 HGAARN COc1ccccc1-n1c2nnc(S)n2c2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002293942 569369285 /nfs/dbraw/zinc/36/92/85/569369285.db2.gz QYZLGIBAPYDEQX-UHFFFAOYSA-N 0 0 414.512 3.244 50 0 HGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002314805 569373036 /nfs/dbraw/zinc/37/30/36/569373036.db2.gz ZSUUDOCVKDRNIP-LUDQZLGDSA-N 0 0 418.518 3.107 50 0 HGAARN CS(=O)(=O)c1ccc(F)c(NC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)c1 ZINC000055012363 569375635 /nfs/dbraw/zinc/37/56/35/569375635.db2.gz ZUJPURDKUCMZCA-GFCCVEGCSA-N 0 0 402.856 3.076 50 0 HGAARN COc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)ccc1O ZINC000002341355 569376424 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CCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(Cc2ccccc2)CC1 ZINC000008855248 569390450 /nfs/dbraw/zinc/39/04/50/569390450.db2.gz GNWSAGQKHSUVLT-UHFFFAOYSA-N 0 0 417.527 3.067 50 0 HGAARN Cc1ccc(C)c(NC(=O)CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c1 ZINC000002385155 569391815 /nfs/dbraw/zinc/39/18/15/569391815.db2.gz VFCKFONCDNMMDG-UHFFFAOYSA-N 0 0 406.508 3.484 50 0 HGAARN CCCNC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc21 ZINC000002395599 569394391 /nfs/dbraw/zinc/39/43/91/569394391.db2.gz YWVCAVQRJUBOBT-UHFFFAOYSA-N 0 0 405.458 3.313 50 0 HGAARN COC(=O)c1ccc(C(=O)NCCc2cc(OC)c(OC)cc2Br)cc1 ZINC000010455852 569396148 /nfs/dbraw/zinc/39/61/48/569396148.db2.gz RGKYZHWFZWKLGX-UHFFFAOYSA-N 0 0 422.275 3.225 50 0 HGAARN Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(C)n1Cc1ccco1 ZINC000027829868 569397990 /nfs/dbraw/zinc/39/79/90/569397990.db2.gz AWAOAEYYBZYHKD-UHFFFAOYSA-N 0 0 409.461 3.484 50 0 HGAARN COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000002427301 569398726 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569426646 /nfs/dbraw/zinc/42/66/46/569426646.db2.gz ZAGXRFFFOYCCQU-UHFFFAOYSA-N 0 0 401.470 3.250 50 0 HGAARN Cc1cccn2cc(COc3ccccc3C(=O)N3CC[S@](=O)C(C)(C)C3)nc12 ZINC000079071730 569426870 /nfs/dbraw/zinc/42/68/70/569426870.db2.gz WXJBPDJAMSAQAN-GDLZYMKVSA-N 0 0 411.527 3.205 50 0 HGAARN COc1cc(N[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)cc(OC)c1 ZINC000079111008 569428089 /nfs/dbraw/zinc/42/80/89/569428089.db2.gz XCZNECCDGPEETM-MRXNPFEDSA-N 0 0 408.495 3.417 50 0 HGAARN Cc1ccc2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793697 569430006 /nfs/dbraw/zinc/43/00/06/569430006.db2.gz LGQNBMSGUSROFJ-UHFFFAOYSA-N 0 0 405.498 3.191 50 0 HGAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NCCC(=O)OC)C12CCCCC2 ZINC000079474369 569431349 /nfs/dbraw/zinc/43/13/49/569431349.db2.gz VYUULQKCPSFQPF-OXJNMPFZSA-N 0 0 400.519 3.407 50 0 HGAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NCCC(=O)OC)C12CCCCC2 ZINC000079474364 569431353 /nfs/dbraw/zinc/43/13/53/569431353.db2.gz VYUULQKCPSFQPF-OXQOHEQNSA-N 0 0 400.519 3.407 50 0 HGAARN Cc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3nc(C(C)(C)C)cs3)C2)n1 ZINC000079484861 569432042 /nfs/dbraw/zinc/43/20/42/569432042.db2.gz QLDPHXIXUCICLW-INIZCTEOSA-N 0 0 401.580 3.423 50 0 HGAARN Cc1cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000079494412 569432620 /nfs/dbraw/zinc/43/26/20/569432620.db2.gz CHDOCTACCZVHAP-LPHOPBHVSA-N 0 0 403.548 3.492 50 0 HGAARN COC(=O)[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000079493540 569432654 /nfs/dbraw/zinc/43/26/54/569432654.db2.gz ROEIHJVONRHTHS-LAUBAEHRSA-N 0 0 420.509 3.417 50 0 HGAARN Cc1cc2nc(SCC(=O)NC3CCC(C)CC3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067239493 571051877 /nfs/dbraw/zinc/05/18/77/571051877.db2.gz YIPIKPLHFOQGQI-UHFFFAOYSA-N 0 0 414.531 3.461 50 0 HGAARN CCCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)ccc2c1=O ZINC000038655376 571052993 /nfs/dbraw/zinc/05/29/93/571052993.db2.gz PYFQZNULPSYWPM-UHFFFAOYSA-N 0 0 420.425 3.326 50 0 HGAARN 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CC[C@@H](C)N(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000004484992 558603617 /nfs/dbraw/zinc/60/36/17/558603617.db2.gz ODKAQTBFUPEBJJ-YPMHNXCESA-N 0 0 415.968 3.123 50 0 HGAARN O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609728 558603781 /nfs/dbraw/zinc/60/37/81/558603781.db2.gz YSMLGRUVCJAETQ-UHFFFAOYSA-N 0 0 424.925 3.337 50 0 HGAARN CSCC[C@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1nc2ccccc2[nH]1 ZINC000024609976 558603913 /nfs/dbraw/zinc/60/39/13/558603913.db2.gz ZOCLYFJJIZUZSV-HNNXBMFYSA-N 0 0 424.448 3.354 50 0 HGAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000024610114 558603942 /nfs/dbraw/zinc/60/39/42/558603942.db2.gz WKAYSHDPBPSNOE-UHFFFAOYSA-N 0 0 418.490 3.209 50 0 HGAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1 ZINC000024611817 558604472 /nfs/dbraw/zinc/60/44/72/558604472.db2.gz PORBXDBAXRVING-UHFFFAOYSA-N 0 0 412.555 3.122 50 0 HGAARN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612568 558604908 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Cc1ccc(Cn2nccc2NC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)cc1 ZINC000024772581 558612007 /nfs/dbraw/zinc/61/20/07/558612007.db2.gz SPRYMKNHGSCTIT-KRWDZBQOSA-N 0 0 404.470 3.383 50 0 HGAARN C[C@@H](c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1)N(C)C ZINC000004500404 558612611 /nfs/dbraw/zinc/61/26/11/558612611.db2.gz QKOMJEOERXYLLY-ZDUSSCGKSA-N 0 0 419.551 3.499 50 0 HGAARN COc1cc(Br)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1O ZINC000014010207 558613222 /nfs/dbraw/zinc/61/32/22/558613222.db2.gz BZYZXZYNFUUZIB-VGOFMYFVSA-N 0 0 421.222 3.395 50 0 HGAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000024839897 558616564 /nfs/dbraw/zinc/61/65/64/558616564.db2.gz OOJBTOFNWDTHSW-UHFFFAOYSA-N 0 0 402.447 3.169 50 0 HGAARN O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000014068001 558617075 /nfs/dbraw/zinc/61/70/75/558617075.db2.gz WTAZQTYEIVQLKQ-JOCHJYFZSA-N 0 0 419.525 3.021 50 0 HGAARN COc1cc2c(cc1NC(=O)C1CCN(S(C)(=O)=O)CC1)oc1ccccc12 ZINC000014106433 558620391 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Cc1ccc(-c2nnc(CCC(=O)NCc3ccc(N4CCCC4=O)cc3)o2)cc1 ZINC000014129078 558623696 /nfs/dbraw/zinc/62/36/96/558623696.db2.gz XFWYAXHGSLFHRS-UHFFFAOYSA-N 0 0 404.470 3.421 50 0 HGAARN CCOc1cc(CN(CC)CC(=O)NC(=O)NC)ccc1OCc1cccs1 ZINC000024979946 558624121 /nfs/dbraw/zinc/62/41/21/558624121.db2.gz GKGPXLZLVXAXQA-UHFFFAOYSA-N 0 0 405.520 3.003 50 0 HGAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC2(CC1)OCCO2 ZINC000024995561 558626497 /nfs/dbraw/zinc/62/64/97/558626497.db2.gz CYHJWYMDGVSENQ-INIZCTEOSA-N 0 0 415.317 3.113 50 0 HGAARN Cc1ccc(NC(=O)[C@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)cc1F ZINC000014169955 558627303 /nfs/dbraw/zinc/62/73/03/558627303.db2.gz BERPOGVKMLCAJB-KRWDZBQOSA-N 0 0 403.479 3.226 50 0 HGAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccccc1OCC(F)(F)F ZINC000025044891 558627781 /nfs/dbraw/zinc/62/77/81/558627781.db2.gz AAXGUJPDPKPSHV-UHFFFAOYSA-N 0 0 421.419 3.024 50 0 HGAARN CCc1ccc(Cl)c(CC)c1NC(=O)CSc1nnnn1C[C@H]1CCCO1 ZINC000025055377 558629231 /nfs/dbraw/zinc/62/92/31/558629231.db2.gz 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O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000025623919 558646128 /nfs/dbraw/zinc/64/61/28/558646128.db2.gz HWHUWURVMNWYIN-QFIPXVFZSA-N 0 0 413.477 3.452 50 0 HGAARN CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000014245418 558646551 /nfs/dbraw/zinc/64/65/51/558646551.db2.gz VTZSELXEEVBOCE-IRXDYDNUSA-N 0 0 405.564 3.179 50 0 HGAARN Cc1c(C(=O)N(CCc2ccccc2)Cc2cccs2)cnn1-c1ccc(=O)[nH]n1 ZINC000025669777 558647154 /nfs/dbraw/zinc/64/71/54/558647154.db2.gz BYKUCFILAZMYIX-UHFFFAOYSA-N 0 0 419.510 3.211 50 0 HGAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000025685722 558647859 /nfs/dbraw/zinc/64/78/59/558647859.db2.gz FSXOGUQMHBZTQL-XMSQKQJNSA-N 0 0 402.560 3.240 50 0 HGAARN COCc1c2ccccc2oc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000025776810 558649627 /nfs/dbraw/zinc/64/96/27/558649627.db2.gz VYJBNRDOBFPYET-UHFFFAOYSA-N 0 0 408.454 3.266 50 0 HGAARN Cc1nc(-c2ccc(CNC(=O)CCn3c4ccccc4n(C)c3=O)cc2)cs1 ZINC000014250929 558649867 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409.490 3.316 50 0 HGAARN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000095984028 568675859 /nfs/dbraw/zinc/67/58/59/568675859.db2.gz YMSSQOVVDPFLJA-SFHVURJKSA-N 0 0 413.948 3.314 50 0 HGAARN CCOc1ccc(NC(=O)c2cc(Cl)ccn2)cc1S(=O)(=O)N1CCCC1 ZINC000021192709 568680237 /nfs/dbraw/zinc/68/02/37/568680237.db2.gz ZFAZWPBFFNSSGP-UHFFFAOYSA-N 0 0 409.895 3.171 50 0 HGAARN O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000096006765 568682961 /nfs/dbraw/zinc/68/29/61/568682961.db2.gz CWZRPWMBHVNMEY-WCQYABFASA-N 0 0 411.829 3.118 50 0 HGAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000096010168 568683644 /nfs/dbraw/zinc/68/36/44/568683644.db2.gz FWXXOTVSUFAKPU-MRXNPFEDSA-N 0 0 407.253 3.078 50 0 HGAARN CNc1nc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)ncc1Br ZINC000096011579 568684167 /nfs/dbraw/zinc/68/41/67/568684167.db2.gz NEMAKQXDKDXKBZ-UHFFFAOYSA-N 0 0 409.332 3.210 50 0 HGAARN O=C(CCNC(=O)c1ccc(F)cc1F)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000096013946 568685479 /nfs/dbraw/zinc/68/54/79/568685479.db2.gz PAANAIMLHGSJTM-LPHOPBHVSA-N 0 0 406.404 3.260 50 0 HGAARN O=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccc(Br)cc1 ZINC000096024274 568685971 /nfs/dbraw/zinc/68/59/71/568685971.db2.gz LKCVOUUQYQSMDV-UHFFFAOYSA-N 0 0 403.236 3.130 50 0 HGAARN O=S(=O)(C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000096025554 568686422 /nfs/dbraw/zinc/68/64/22/568686422.db2.gz XQRHNAMXLZYDJE-ZDUSSCGKSA-N 0 0 417.911 3.106 50 0 HGAARN COc1ccc(Br)c(C(=O)NCCn2ccc(-c3ccncc3)n2)c1 ZINC000096026146 568686641 /nfs/dbraw/zinc/68/66/41/568686641.db2.gz SSISJJXQWJRIQA-UHFFFAOYSA-N 0 0 401.264 3.146 50 0 HGAARN O=C(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)Nc1nccs1 ZINC000021355555 568688444 /nfs/dbraw/zinc/68/84/44/568688444.db2.gz PAFSNSHAGUYNND-UHFFFAOYSA-N 0 0 414.472 3.440 50 0 HGAARN O=c1c2cc(S(=O)(=O)N3CCCCC3)ccc2[nH]n1Cc1c(F)cccc1Cl ZINC000096096355 568688858 /nfs/dbraw/zinc/68/88/58/568688858.db2.gz GRBXFUWSPGSBNK-AWEZNQCLSA-N 0 0 423.897 3.063 50 0 HGAARN O=C(c1cccc(Br)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099529 568690270 /nfs/dbraw/zinc/69/02/70/568690270.db2.gz GJVWMEVBEZWVSQ-UHFFFAOYSA-N 0 0 412.305 3.262 50 0 HGAARN Cn1ccnc1[C@](O)(CC(=O)N1CCC[C@H]1Cc1ccccc1Cl)C(F)(F)F ZINC000055524855 568691212 /nfs/dbraw/zinc/69/12/12/568691212.db2.gz KGQJZFZJUCMUSS-KBXCAEBGSA-N 0 0 415.843 3.447 50 0 HGAARN O=S(=O)(Cc1ccccc1)N1CC[C@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000096102146 568691410 /nfs/dbraw/zinc/69/14/10/568691410.db2.gz VYVCPYPOYAMXJA-SFHVURJKSA-N 0 0 408.483 3.468 50 0 HGAARN Cc1cc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)C(C)(C)C)C2)c(Cl)cc1Cl ZINC000096103437 568691734 /nfs/dbraw/zinc/69/17/34/568691734.db2.gz WRAQGHDJRKRFKK-LLVKDONJSA-N 0 0 414.376 3.278 50 0 HGAARN Cc1cc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cccc(O)c2)no1 ZINC000096115672 568695125 /nfs/dbraw/zinc/69/51/25/568695125.db2.gz ZUZAQNUBYULKHZ-PXNSSMCTSA-N 0 0 404.378 3.327 50 0 biogenic HGAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000012391789 568695839 /nfs/dbraw/zinc/69/58/39/568695839.db2.gz SOVFSFCQQMFBJM-UHFFFAOYSA-N 0 0 418.453 3.321 50 0 HGAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)C=Cc2ccc(F)cc2)c(=O)[nH]c1=O ZINC000096117686 568697183 /nfs/dbraw/zinc/69/71/83/568697183.db2.gz WLMSQRIDHFSTMW-FLIBITNWSA-N 0 0 416.497 3.151 50 0 HGAARN CCOC(=O)c1sc(NC(=O)Cn2ccc3c2cccc3NC(C)=O)nc1C ZINC000096118717 568698328 /nfs/dbraw/zinc/69/83/28/568698328.db2.gz UPOBHPGHLXESBP-UHFFFAOYSA-N 0 0 400.460 3.180 50 0 HGAARN CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012401057 568700126 /nfs/dbraw/zinc/70/01/26/568700126.db2.gz ICUCIELICHLVMF-LJQANCHMSA-N 0 0 411.424 3.467 50 0 HGAARN CO[C@](C)(CNS(=O)(=O)c1ccccc1Br)c1ccccc1F ZINC000096123599 568700183 /nfs/dbraw/zinc/70/01/83/568700183.db2.gz CCFCSGXLKVHFLI-MRXNPFEDSA-N 0 0 402.285 3.428 50 0 HGAARN COCCn1ncc2ccc(NC(=O)/C=C\c3ccc(N4CCCC4=O)cc3)cc21 ZINC000096134020 568702173 /nfs/dbraw/zinc/70/21/73/568702173.db2.gz SJXNVWPCGFQPKV-WDZFZDKYSA-N 0 0 404.470 3.461 50 0 HGAARN CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)CSc3ccccc3)ccc2NC1=O ZINC000096182241 568702742 /nfs/dbraw/zinc/70/27/42/568702742.db2.gz YAUYEARHHNNEOC-FQEVSTJZSA-N 0 0 400.456 3.070 50 0 HGAARN CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCCOC)c2)n1 ZINC000096211033 568704700 /nfs/dbraw/zinc/70/47/00/568704700.db2.gz DJLRTGYBWCFURK-UHFFFAOYSA-N 0 0 400.548 3.308 50 0 HGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H](C)CCc1ccccc1)C=C2 ZINC000096221462 568705177 /nfs/dbraw/zinc/70/51/77/568705177.db2.gz FRXSWBVQXUDCKW-KRWDZBQOSA-N 0 0 408.498 3.197 50 0 biogenic HGAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc4ccn(C)c4c3)C2=O)cc1 ZINC000096221927 568705572 /nfs/dbraw/zinc/70/55/72/568705572.db2.gz MKYGPMLUMXVIHF-IBGZPJMESA-N 0 0 420.469 3.026 50 0 biogenic HGAARN CC(C)Cn1c(CCCNC(=O)c2cc(F)ccc2-n2cnnn2)nc2ccccc21 ZINC000096232288 568708056 /nfs/dbraw/zinc/70/80/56/568708056.db2.gz JIMWUSDMLHWDMB-UHFFFAOYSA-N 0 0 421.480 3.170 50 0 HGAARN COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@@]1(NC(=O)C1CCCCC1)C(F)(F)F ZINC000012402653 568710147 /nfs/dbraw/zinc/71/01/47/568710147.db2.gz RULMPIUGBZYMQE-LJQANCHMSA-N 0 0 416.440 3.216 50 0 HGAARN O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCCCN1CCCC1=O ZINC000021530357 568710676 /nfs/dbraw/zinc/71/06/76/568710676.db2.gz PDYWKMXPRRQBMG-OAQYLSRUSA-N 0 0 423.488 3.042 50 0 HGAARN C[C@@H](C(=O)NCc1cccs1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000021530805 568710966 /nfs/dbraw/zinc/71/09/66/568710966.db2.gz SUDFMFUMFJXQQB-HNNXBMFYSA-N 0 0 417.556 3.365 50 0 HGAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000024993492 568711695 /nfs/dbraw/zinc/71/16/95/568711695.db2.gz DIMIVAWPYVZGQC-MRXNPFEDSA-N 0 0 422.403 3.392 50 0 HGAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(=O)[nH]n21 ZINC000021537265 568712313 /nfs/dbraw/zinc/71/23/13/568712313.db2.gz RPQGPXIKWKXKFQ-UHFFFAOYSA-N 0 0 409.446 3.263 50 0 HGAARN Cc1cccc(NC(=O)CCc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)c1 ZINC000021540439 568713744 /nfs/dbraw/zinc/71/37/44/568713744.db2.gz TWZGTMNRERCMKM-UHFFFAOYSA-N 0 0 401.470 3.377 50 0 HGAARN CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2C1 ZINC000021557560 568714110 /nfs/dbraw/zinc/71/41/10/568714110.db2.gz YJGYXOMCACCNNJ-SFHVURJKSA-N 0 0 417.619 3.279 50 0 HGAARN COc1ccc([C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)cc1 ZINC000229652581 568714862 /nfs/dbraw/zinc/71/48/62/568714862.db2.gz YBMWPQWTLSHKOM-CGBFIWBNSA-N 0 0 403.548 3.085 50 0 HGAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000229726595 568715098 /nfs/dbraw/zinc/71/50/98/568715098.db2.gz QDLKLGGXGSFCNL-XPGWFJOJSA-N 0 0 400.519 3.106 50 0 HGAARN CCC(CC)[C@H](O)CNC(=O)CC[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(CC)CC ZINC000229880357 568715723 /nfs/dbraw/zinc/71/57/23/568715723.db2.gz PPVAOFNKWFBDOU-PWRODBHTSA-N 0 0 414.631 3.256 50 0 HGAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)nc1)NCCN1CCOCC1 ZINC000096289108 568719746 /nfs/dbraw/zinc/71/97/46/568719746.db2.gz DJJVOOPSAGAEHA-GOSISDBHSA-N 0 0 412.921 3.187 50 0 HGAARN COc1cc(-c2noc([C@H](C)NC(=O)Cc3ccc(F)cc3)n2)cc(OC)c1OC ZINC000096290169 568720108 /nfs/dbraw/zinc/72/01/08/568720108.db2.gz GQFANCDLQHJROM-LBPRGKRZSA-N 0 0 415.421 3.321 50 0 HGAARN Cc1nnc(SCc2ccccc2C(=O)N2CCOCC2)n1-c1ccc(F)cc1 ZINC000096291044 568720587 /nfs/dbraw/zinc/72/05/87/568720587.db2.gz WXMOABOMPFPDCB-UHFFFAOYSA-N 0 0 412.490 3.480 50 0 HGAARN Cc1cc(NC(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)c2ccccc2n1 ZINC000012440148 568723010 /nfs/dbraw/zinc/72/30/10/568723010.db2.gz QOUZKTAPEYAVGJ-UHFFFAOYSA-N 0 0 404.474 3.233 50 0 HGAARN CCOc1ccccc1NC(=O)CCn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000012440194 568723019 /nfs/dbraw/zinc/72/30/19/568723019.db2.gz BIMONSOLKMCKAF-UHFFFAOYSA-N 0 0 403.442 3.010 50 0 HGAARN COc1ccc(OC)c(NC(=O)[C@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)c1 ZINC000096309510 568723886 /nfs/dbraw/zinc/72/38/86/568723886.db2.gz LHUGDGPZZVVDHT-QGZVFWFLSA-N 0 0 422.547 3.017 50 0 biogenic HGAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 ZINC000021624450 568723923 /nfs/dbraw/zinc/72/39/23/568723923.db2.gz BPUDQVZWHXZZHW-QFIPXVFZSA-N 0 0 419.481 3.308 50 0 HGAARN CCCCC[C@H](C)NC(=O)CSc1nnc(COc2c(C)cccc2C)n1N ZINC000021629261 568724956 /nfs/dbraw/zinc/72/49/56/568724956.db2.gz JIBIZILHAUOGEW-INIZCTEOSA-N 0 0 405.568 3.365 50 0 HGAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)COC)CC2)c1Cc1cccc(C)c1 ZINC000096316838 568725999 /nfs/dbraw/zinc/72/59/99/568725999.db2.gz COBCLYSUSKSHDY-UHFFFAOYSA-N 0 0 410.562 3.357 50 0 HGAARN CC[C@H](C)c1nc(C)c(Cc2cccc(C)c2)c(N2CCN(C(=O)COC)CC2)n1 ZINC000096317481 568726750 /nfs/dbraw/zinc/72/67/50/568726750.db2.gz DZIULJRMJGMVGM-SFHVURJKSA-N 0 0 410.562 3.493 50 0 HGAARN CCCNC(=O)[C@@H](C)n1c2ccc(C)cc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000096318352 568727276 /nfs/dbraw/zinc/72/72/76/568727276.db2.gz MPCUOEDABUDQDW-CYBMUJFWSA-N 0 0 417.868 3.341 50 0 HGAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccccc4)cc3)C(=O)[C@H]21 ZINC000239235397 568728391 /nfs/dbraw/zinc/72/83/91/568728391.db2.gz VWSMYSSTIUFCTD-JJXUHFIVSA-N 0 0 403.434 3.428 50 0 HGAARN Cc1ccc(C)c(C(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c1 ZINC000096321832 568729375 /nfs/dbraw/zinc/72/93/75/568729375.db2.gz OAICMEOKZXFIGW-UHFFFAOYSA-N 0 0 410.499 3.028 50 0 HGAARN CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)[nH]1 ZINC000239653682 568729720 /nfs/dbraw/zinc/72/97/20/568729720.db2.gz BKTCMGUYQZQREL-OFQRWUPVSA-N 0 0 403.552 3.047 50 0 HGAARN Cc1nnc([C@H]2CCCN(C(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)C2)[nH]1 ZINC000240551425 568730248 /nfs/dbraw/zinc/73/02/48/568730248.db2.gz GTOZJGRTDDNYDT-HOTGVXAUSA-N 0 0 405.543 3.245 50 0 HGAARN CCOc1ccccc1NC(=O)NCCn1cnc2cc(C(=O)NC(C)C)ccc21 ZINC000021653628 568730746 /nfs/dbraw/zinc/73/07/46/568730746.db2.gz ONJKWMRVEWOTEH-UHFFFAOYSA-N 0 0 409.490 3.395 50 0 HGAARN COC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)CCC(C)CC1 ZINC000241132855 568730869 /nfs/dbraw/zinc/73/08/69/568730869.db2.gz JMFMDMDURBKTIN-UHFFFAOYSA-N 0 0 417.531 3.208 50 0 HGAARN O=C1[C@@H](N2CC[C@H](Oc3cccnc3N3CCCC3)C2)CCN1c1ccccc1F ZINC000241775904 568731874 /nfs/dbraw/zinc/73/18/74/568731874.db2.gz 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0 HGAARN COc1ccc(OC)c([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 ZINC000004029246 568934302 /nfs/dbraw/zinc/93/43/02/568934302.db2.gz GREBKDKZYPDUEK-SJORKVTESA-N 0 0 401.459 3.094 50 0 biogenic HGAARN COC(=O)C1(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)CCCCC1 ZINC000012748516 568934860 /nfs/dbraw/zinc/93/48/60/568934860.db2.gz IGRQNGZRXWUOPO-UHFFFAOYSA-N 0 0 422.481 3.208 50 0 HGAARN NC(=O)[C@H](CCC(=O)c1cccs1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000004040496 568935751 /nfs/dbraw/zinc/93/57/51/568935751.db2.gz GBWSCUCBRGDEKH-AWEZNQCLSA-N 0 0 406.312 3.346 50 0 HGAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012749827 568937701 /nfs/dbraw/zinc/93/77/01/568937701.db2.gz BVTLPTURVXKGKD-UHFFFAOYSA-N 0 0 411.454 3.210 50 0 HGAARN Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCC3 ZINC000004073684 568937937 /nfs/dbraw/zinc/93/79/37/568937937.db2.gz OALWAJUQFFMZPU-FYSMJZIKSA-N 0 0 411.498 3.123 50 0 biogenic HGAARN CCOCCCN1C(=O)CN(C2CCCCC2)C(=O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004077575 568938397 /nfs/dbraw/zinc/93/83/97/568938397.db2.gz VEYSAYOLBBSNIB-QFIPXVFZSA-N 0 0 418.534 3.175 50 0 HGAARN Cc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4C(N)=O)c2=O)C(=O)CCC3)cc1 ZINC000001424554 568938804 /nfs/dbraw/zinc/93/88/04/568938804.db2.gz QFDKCYJBHRWDJL-UHFFFAOYSA-N 0 0 415.449 3.016 50 0 HGAARN COc1ccccc1[C@@H]1CN2C(=O)CN(C3CC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000004082858 568939344 /nfs/dbraw/zinc/93/93/44/568939344.db2.gz VVTHISBCHDXPHR-BVZFJXPGSA-N 0 0 415.493 3.370 50 0 biogenic HGAARN COCCN1CC(=O)N2C[C@H](c3ccc(C)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004084006 568939531 /nfs/dbraw/zinc/93/95/31/568939531.db2.gz WKSWPHSITIGNNA-CLOONOSVSA-N 0 0 417.509 3.154 50 0 biogenic HGAARN COc1ccc2c(C)c(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000004084751 568939962 /nfs/dbraw/zinc/93/99/62/568939962.db2.gz AVJFFVQNEHYERY-UHFFFAOYSA-N 0 0 411.454 3.029 50 0 biogenic HGAARN Cc1cc(NC(=O)Cn2cc(I)cn2)ccc1Br ZINC000001432144 568940814 /nfs/dbraw/zinc/94/08/14/568940814.db2.gz OTNRGKMMAFPYOA-UHFFFAOYSA-N 0 0 420.048 3.197 50 0 HGAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)OC)cc1)CN(C(C)C)CC2 ZINC000004086933 568940837 /nfs/dbraw/zinc/94/08/37/568940837.db2.gz CYEHUMQSFOSSHA-UHFFFAOYSA-N 0 0 416.499 3.340 50 0 HGAARN O=C(CSc1nnc(N2CCCC2)n1Cc1ccco1)N1CCc2ccccc2C1 ZINC000025947000 568941082 /nfs/dbraw/zinc/94/10/82/568941082.db2.gz QVIJYAPKSWANGG-UHFFFAOYSA-N 0 0 423.542 3.197 50 0 HGAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCCN4CCCC4=O)c(C)c3cc12 ZINC000004087796 568941092 /nfs/dbraw/zinc/94/10/92/568941092.db2.gz IINSYDKEJXOBGR-UHFFFAOYSA-N 0 0 410.470 3.217 50 0 biogenic HGAARN O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N2CCCCCC2)s1 ZINC000004087954 568941183 /nfs/dbraw/zinc/94/11/83/568941183.db2.gz MJAIWPMKIQYVIX-UHFFFAOYSA-N 0 0 408.524 3.353 50 0 HGAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000012753692 568941927 /nfs/dbraw/zinc/94/19/27/568941927.db2.gz QNXQNTZUALRNMK-WNSKOXEYSA-N 0 0 423.517 3.237 50 0 HGAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 ZINC000012754848 568942475 /nfs/dbraw/zinc/94/24/75/568942475.db2.gz WBCPBQXFVSQVFC-UHFFFAOYSA-N 0 0 403.482 3.250 50 0 HGAARN COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@@](=O)C3)c1OC ZINC000004106214 568943259 /nfs/dbraw/zinc/94/32/59/568943259.db2.gz WGPUEUCSVMXMRN-GDLZYMKVSA-N 0 0 411.483 3.213 50 0 HGAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccccc3OC)C2=O)cc1 ZINC000012758977 568943596 /nfs/dbraw/zinc/94/35/96/568943596.db2.gz RCHMUZLNWJUEEM-GYCJOSAFSA-N 0 0 423.513 3.292 50 0 HGAARN O=c1c2cc(Cl)ccc2ncn1Cc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000012759414 568943812 /nfs/dbraw/zinc/94/38/12/568943812.db2.gz PPYHOPDEEMMXQU-UHFFFAOYSA-N 0 0 418.840 3.449 50 0 HGAARN C[C@]1(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1(Cl)Cl ZINC000012759553 568943840 /nfs/dbraw/zinc/94/38/40/568943840.db2.gz PFUFCEXEJDAUNK-MRXNPFEDSA-N 0 0 404.725 3.007 50 0 HGAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4cccc(C)c4)CC3)n2)cc1 ZINC000012759999 568943971 /nfs/dbraw/zinc/94/39/71/568943971.db2.gz LJVMUSCIFVFGSH-UHFFFAOYSA-N 0 0 406.486 3.077 50 0 HGAARN Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)c(C)c1 ZINC000004111237 568944135 /nfs/dbraw/zinc/94/41/35/568944135.db2.gz RRHWWTWOIXQBTE-UHFFFAOYSA-N 0 0 417.465 3.368 50 0 HGAARN COc1nc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc2ccccc21 ZINC000084229571 568944760 /nfs/dbraw/zinc/94/47/60/568944760.db2.gz HNIHOVDXECWEOZ-QGZVFWFLSA-N 0 0 404.470 3.438 50 0 HGAARN Cn1c(=O)c2c(SCc3ccc(F)cc3)nc(CC(C)(C)C)nc2n(C)c1=O ZINC000004139040 568945920 /nfs/dbraw/zinc/94/59/20/568945920.db2.gz BOPPSTTUWLMQGZ-UHFFFAOYSA-N 0 0 402.495 3.047 50 0 HGAARN CC(=O)c1ccc2c(c1)OCCOCCOc1ccc(C(C)=O)cc1OCCO2 ZINC000004141239 568946297 /nfs/dbraw/zinc/94/62/97/568946297.db2.gz QVAUTWBYHYGNIW-UHFFFAOYSA-N 0 0 400.427 3.337 50 0 HGAARN CCc1nn2c(nc(CSc3nnc(NCc4ccccc4)s3)cc2=O)s1 ZINC000012763273 568946705 /nfs/dbraw/zinc/94/67/05/568946705.db2.gz NJTFQYRXTRFHCS-UHFFFAOYSA-N 0 0 416.557 3.469 50 0 HGAARN Cc1ccc(NC(=O)CN2CCN(C(=O)CCC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000012764164 568947292 /nfs/dbraw/zinc/94/72/92/568947292.db2.gz PELDNVRGYVDCRE-UHFFFAOYSA-N 0 0 407.514 3.049 50 0 HGAARN COc1ccc(CCNC(=O)CN2c3ccccc3S[C@H](C)CC2=O)cc1OC ZINC000004162756 568947538 /nfs/dbraw/zinc/94/75/38/568947538.db2.gz OEFDZEMADFTVIV-OAHLLOKOSA-N 0 0 414.527 3.280 50 0 HGAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c12 ZINC000012765063 568947911 /nfs/dbraw/zinc/94/79/11/568947911.db2.gz WEUVTRPJMMFJHV-UHFFFAOYSA-N 0 0 403.398 3.120 50 0 HGAARN COc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1F ZINC000012766121 568948452 /nfs/dbraw/zinc/94/84/52/568948452.db2.gz SWJAQZPXFMMDEV-UHFFFAOYSA-N 0 0 402.451 3.229 50 0 HGAARN COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000012767402 568949376 /nfs/dbraw/zinc/94/93/76/568949376.db2.gz ZACIKLOJLQALCF-UHFFFAOYSA-N 0 0 421.472 3.384 50 0 HGAARN Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000004183007 568949562 /nfs/dbraw/zinc/94/95/62/568949562.db2.gz PRIBSIHAIZRODB-SFHVURJKSA-N 0 0 407.919 3.243 50 0 HGAARN COC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(C)c(C)c1 ZINC000004191572 568950404 /nfs/dbraw/zinc/95/04/04/568950404.db2.gz DNZAMIBCZRIMIN-LNVKXUELSA-N 0 0 411.483 3.192 50 0 HGAARN O=C(CN1CCn2cccc2[C@@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000084525735 568950499 /nfs/dbraw/zinc/95/04/99/568950499.db2.gz WQGSTLTWKLCPCY-VWLOTQADSA-N 0 0 416.525 3.368 50 0 HGAARN CCOc1ccc(N(Cc2ccccc2F)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000004193463 568950815 /nfs/dbraw/zinc/95/08/15/568950815.db2.gz HOZMANQOQXCEQA-OALUTQOASA-N 0 0 420.531 3.499 50 0 HGAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000012773904 568953257 /nfs/dbraw/zinc/95/32/57/568953257.db2.gz BFKCULSNHWZQCI-GFCCVEGCSA-N 0 0 421.462 3.491 50 0 HGAARN COc1ccc(OCc2nnc(S[C@@H]3CCOC3=O)n2-c2ccccc2F)cc1 ZINC000004246837 568953540 /nfs/dbraw/zinc/95/35/40/568953540.db2.gz WBHYDNDOWHKQFR-QGZVFWFLSA-N 0 0 415.446 3.402 50 0 HGAARN CSc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1 ZINC000012774814 568953681 /nfs/dbraw/zinc/95/36/81/568953681.db2.gz XAHCUYCJTJKWBH-UHFFFAOYSA-N 0 0 404.557 3.430 50 0 HGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1 ZINC000004249142 568954166 /nfs/dbraw/zinc/95/41/66/568954166.db2.gz APAQYRJWMNAZCR-UHFFFAOYSA-N 0 0 414.512 3.415 50 0 HGAARN CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2)n(C)c1=O ZINC000004249452 568954247 /nfs/dbraw/zinc/95/42/47/568954247.db2.gz KVQUBUAXBWWPGN-ZDUSSCGKSA-N 0 0 401.898 3.138 50 0 HGAARN CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2)n(C)c1=O ZINC000004249451 568954264 /nfs/dbraw/zinc/95/42/64/568954264.db2.gz KVQUBUAXBWWPGN-CYBMUJFWSA-N 0 0 401.898 3.138 50 0 HGAARN CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O ZINC000004249476 568954276 /nfs/dbraw/zinc/95/42/76/568954276.db2.gz ZWEXPTVKBUKVML-LBPRGKRZSA-N 0 0 401.898 3.056 50 0 HGAARN COc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000084647289 568954575 /nfs/dbraw/zinc/95/45/75/568954575.db2.gz NLSFAYZLJPIFDQ-ZDUSSCGKSA-N 0 0 412.458 3.167 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000012777980 568956030 /nfs/dbraw/zinc/95/60/30/568956030.db2.gz XWBHLYSIZONAFD-UHFFFAOYSA-N 0 0 410.499 3.393 50 0 HGAARN CCC(CC)[C@H](CCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)OC ZINC000084727349 568957253 /nfs/dbraw/zinc/95/72/53/568957253.db2.gz KMOYUNQPZJPPAJ-FQEVSTJZSA-N 0 0 419.547 3.454 50 0 HGAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000012781968 568958253 /nfs/dbraw/zinc/95/82/53/568958253.db2.gz NWJCHNZOAUJZIU-SFHVURJKSA-N 0 0 407.297 3.193 50 0 HGAARN Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000012783491 568959068 /nfs/dbraw/zinc/95/90/68/568959068.db2.gz RYPZKVJXHBLMLG-HZPDHXFCSA-N 0 0 400.548 3.298 50 0 HGAARN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000004971986 568959186 /nfs/dbraw/zinc/95/91/86/568959186.db2.gz AWILSCHDTLJVOK-UHFFFAOYSA-N 0 0 415.559 3.475 50 0 HGAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C ZINC000004284972 568959285 /nfs/dbraw/zinc/95/92/85/568959285.db2.gz PURAEWFJMDHDTD-VOIUYBSRSA-N 0 0 423.513 3.279 50 0 HGAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012785178 568959777 /nfs/dbraw/zinc/95/97/77/568959777.db2.gz BYBADEMQZQOQRH-UHFFFAOYSA-N 0 0 418.497 3.470 50 0 HGAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000004297086 568959969 /nfs/dbraw/zinc/95/99/69/568959969.db2.gz CQGAODMKAPZJTK-DEOSSOPVSA-N 0 0 420.513 3.391 50 0 HGAARN Cc1cccc(O[C@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1C ZINC000004312948 568961305 /nfs/dbraw/zinc/96/13/05/568961305.db2.gz OMLYKVAXWAKXKB-SJORKVTESA-N 0 0 407.557 3.348 50 0 HGAARN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccc(F)cc3)cc21 ZINC000015671086 568961640 /nfs/dbraw/zinc/96/16/40/568961640.db2.gz XBQQWKICHYYQGC-SFHVURJKSA-N 0 0 404.463 3.097 50 0 HGAARN COc1ccc(C)cc1NC(=O)C(=O)NCCSc1nc(-c2ccccc2)c[nH]1 ZINC000004315917 568961956 /nfs/dbraw/zinc/96/19/56/568961956.db2.gz QLDPWHYKFZPDLJ-UHFFFAOYSA-N 0 0 410.499 3.241 50 0 HGAARN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1C ZINC000015679345 568966281 /nfs/dbraw/zinc/96/62/81/568966281.db2.gz UQOWCKGTMDRKRH-UHFFFAOYSA-N 0 0 418.497 3.380 50 0 HGAARN O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc21)N1CCNC(=O)C1 ZINC000007990038 568966697 /nfs/dbraw/zinc/96/66/97/568966697.db2.gz KBEUSJSLEQEPLQ-UHFFFAOYSA-N 0 0 410.271 3.236 50 0 HGAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(C)c1 ZINC000015680410 568967194 /nfs/dbraw/zinc/96/71/94/568967194.db2.gz DSBUIRJEKQHQJC-OAHLLOKOSA-N 0 0 416.499 3.134 50 0 HGAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)[nH]n2)c(C)c1 ZINC000015680682 568967534 /nfs/dbraw/zinc/96/75/34/568967534.db2.gz VGBSNXCISQSTPZ-UHFFFAOYSA-N 0 0 406.461 3.431 50 0 HGAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)[nH]n2)cc1C ZINC000015680680 568967671 /nfs/dbraw/zinc/96/76/71/568967671.db2.gz VQDQYOGENIDBDZ-UHFFFAOYSA-N 0 0 406.461 3.431 50 0 HGAARN O=C(COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1)N1CCCC1=O ZINC000008000896 568967806 /nfs/dbraw/zinc/96/78/06/568967806.db2.gz GPKNXMFBZUSRGZ-UHFFFAOYSA-N 0 0 400.500 3.482 50 0 HGAARN COC(=O)c1ccccc1NC(=O)c1c(N2CCCC2=O)c2cc(OC)ccc2n1C ZINC000015681752 568968304 /nfs/dbraw/zinc/96/83/04/568968304.db2.gz OHJFNZLKVYDDKM-UHFFFAOYSA-N 0 0 421.453 3.353 50 0 HGAARN C[C@@H](NC(=O)CN1c2ccccc2OCCC1=O)c1ccccc1Br ZINC000008022123 568968930 /nfs/dbraw/zinc/96/89/30/568968930.db2.gz MUAQHRUZBBAHBU-CYBMUJFWSA-N 0 0 403.276 3.442 50 0 HGAARN C[C@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cccs1 ZINC000008036347 568969634 /nfs/dbraw/zinc/96/96/34/568969634.db2.gz GFENTKILMREEEO-INIZCTEOSA-N 0 0 419.506 3.421 50 0 HGAARN Cc1occc1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000008050753 568970599 /nfs/dbraw/zinc/97/05/99/568970599.db2.gz NTNPTBUKJCUCCA-UHFFFAOYSA-N 0 0 403.287 3.042 50 0 HGAARN COc1cc(Br)c(S(=O)(=O)N2CCc3ccccc3C2)cc1OC ZINC000008054540 568970884 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/nfs/dbraw/zinc/01/36/18/569013618.db2.gz CXXHZVSIWJQRIJ-UHFFFAOYSA-N 0 0 412.433 3.385 50 0 HGAARN COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(OC)cc1OC)CC3 ZINC000015842181 569013733 /nfs/dbraw/zinc/01/37/33/569013733.db2.gz RWGWQCXAUVZDGJ-UHFFFAOYSA-N 0 0 400.456 3.012 50 0 HGAARN CC(C)N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000015842799 569013886 /nfs/dbraw/zinc/01/38/86/569013886.db2.gz KLTLINJRWAMGBY-MRXNPFEDSA-N 0 0 400.500 3.050 50 0 HGAARN Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(C)n1-c1nccs1 ZINC000012877475 569013959 /nfs/dbraw/zinc/01/39/59/569013959.db2.gz KVMRPFARDQISTR-UHFFFAOYSA-N 0 0 403.529 3.362 50 0 HGAARN CNS(=O)(=O)Cc1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1 ZINC000012877778 569013960 /nfs/dbraw/zinc/01/39/60/569013960.db2.gz ULEHYLZAQGHQFS-UHFFFAOYSA-N 0 0 421.569 3.159 50 0 HGAARN COc1cc(CNC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000012879336 569014233 /nfs/dbraw/zinc/01/42/33/569014233.db2.gz KRJNGKBIJFEKLL-ZDUSSCGKSA-N 0 0 402.447 3.044 50 0 HGAARN CC(=O)c1cccc(NC(=O)Cn2c3nc(C4CCCCC4)nn3c(=O)cc2C)c1 ZINC000015858743 569014815 /nfs/dbraw/zinc/01/48/15/569014815.db2.gz MQHWOIHEOIYJSY-UHFFFAOYSA-N 0 0 407.474 3.088 50 0 HGAARN COc1cccc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c(=O)oc21 ZINC000015862246 569015815 /nfs/dbraw/zinc/01/58/15/569015815.db2.gz AGUWFLQADFENQQ-UHFFFAOYSA-N 0 0 413.495 3.445 50 0 HGAARN Cc1ccc(NC(=O)CSc2ccccn2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000006167959 569016164 /nfs/dbraw/zinc/01/61/64/569016164.db2.gz CIKMXNQNGHXIJK-UHFFFAOYSA-N 0 0 405.545 3.295 50 0 HGAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NC3CCCCC3)cs2)c1 ZINC000015881022 569018165 /nfs/dbraw/zinc/01/81/65/569018165.db2.gz GPBXEWPIKUUKNN-UHFFFAOYSA-N 0 0 403.504 3.404 50 0 HGAARN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)c(F)c1F ZINC000012881363 569018855 /nfs/dbraw/zinc/01/88/55/569018855.db2.gz RSBZJHXJDJVVHC-UHFFFAOYSA-N 0 0 424.194 3.454 50 0 HGAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000015882586 569019074 /nfs/dbraw/zinc/01/90/74/569019074.db2.gz 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ZINC000012890621 569019951 /nfs/dbraw/zinc/01/99/51/569019951.db2.gz WKUDSAJIAZTDRX-UHFFFAOYSA-N 0 0 400.525 3.394 50 0 HGAARN O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012899145 569020347 /nfs/dbraw/zinc/02/03/47/569020347.db2.gz DNWKPYKYVFNLAI-UHFFFAOYSA-N 0 0 402.491 3.354 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3c(O)cc(C)cc3oc1=O)CC2 ZINC000012899028 569020498 /nfs/dbraw/zinc/02/04/98/569020498.db2.gz XRPVGDKAMMZURW-UHFFFAOYSA-N 0 0 423.465 3.260 50 0 biogenic HGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccccc4C[C@H]3C)C2)s1 ZINC000012904608 569021062 /nfs/dbraw/zinc/02/10/62/569021062.db2.gz ZQGHTKPMXGTPDN-RHSMWYFYSA-N 0 0 404.557 3.435 50 0 HGAARN COc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2=O)cc1OC ZINC000012907064 569021373 /nfs/dbraw/zinc/02/13/73/569021373.db2.gz ZJASDINSQMFBHY-OLZOCXBDSA-N 0 0 415.515 3.277 50 0 HGAARN O=C(C[S@](=O)CCOc1cccc(Br)c1)NCC1CCCCC1 ZINC000012906757 569021388 /nfs/dbraw/zinc/02/13/88/569021388.db2.gz 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CCCN(Cn1nc(-c2ccccc2Cl)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012921609 569023050 /nfs/dbraw/zinc/02/30/50/569023050.db2.gz SBYSBWSRFVSOSS-CYBMUJFWSA-N 0 0 414.984 3.128 50 0 HGAARN O=S(=O)(N1CCN(Cc2c(Cl)cccc2Cl)CC1)N1CCCCCC1 ZINC000012921947 569023097 /nfs/dbraw/zinc/02/30/97/569023097.db2.gz YSDVNPBKEAJXKZ-UHFFFAOYSA-N 0 0 406.379 3.232 50 0 HGAARN CCn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCOCC2)c2ccccc21 ZINC000015936429 569023399 /nfs/dbraw/zinc/02/33/99/569023399.db2.gz NYXDCQXDHQUHPS-PGMHBOJBSA-N 0 0 403.482 3.291 50 0 HGAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)c1 ZINC000015941458 569024165 /nfs/dbraw/zinc/02/41/65/569024165.db2.gz ZDGDLPCHDLQBNV-UHFFFAOYSA-N 0 0 413.499 3.170 50 0 HGAARN COc1ccc(OC)c([C@@H](C)NC(=O)CN2C(=S)N=NC2c2cccs2)c1 ZINC000012928903 569024332 /nfs/dbraw/zinc/02/43/32/569024332.db2.gz UUZMHRMFLUEWSV-LLVKDONJSA-N 0 0 404.517 3.190 50 0 HGAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N1CC[C@H](Oc2ccncc2Cl)C1 ZINC000575413844 569024991 /nfs/dbraw/zinc/02/49/91/569024991.db2.gz CZATTWJOYAWKEB-NSHDSACASA-N 0 0 416.833 3.025 50 0 HGAARN O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012935182 569026325 /nfs/dbraw/zinc/02/63/25/569026325.db2.gz YAMOSZCQMYHQBW-UHFFFAOYSA-N 0 0 424.975 3.427 50 0 HGAARN CCC1=NN2C(=NC(=O)/C(=C\c3ccccc3OCCBr)C2=N)S1 ZINC000005857287 569026555 /nfs/dbraw/zinc/02/65/55/569026555.db2.gz FWHOHRCNLUWXDW-OTJYAJGDSA-N 0 0 407.293 3.489 50 0 HGAARN CNC(=O)[C@H]1CN(C(=O)c2sc3cccc(F)c3c2COC)c2ccccc2O1 ZINC000029767823 569027280 /nfs/dbraw/zinc/02/72/80/569027280.db2.gz XQUYILZEGBGIGY-MRXNPFEDSA-N 0 0 414.458 3.341 50 0 HGAARN C[C@H](OC(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 ZINC000012937944 569027894 /nfs/dbraw/zinc/02/78/94/569027894.db2.gz LQNJVYNPMMUPSF-INIZCTEOSA-N 0 0 416.905 3.440 50 0 HGAARN CCn1c2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2[nH]c(=O)c1=O ZINC000012938601 569027998 /nfs/dbraw/zinc/02/79/98/569027998.db2.gz YPWLIDGOGYXXHQ-KRWDZBQOSA-N 0 0 420.494 3.297 50 0 HGAARN CCn1c2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2[nH]c(=O)c1=O ZINC000012938595 569028069 /nfs/dbraw/zinc/02/80/69/569028069.db2.gz YPWLIDGOGYXXHQ-QGZVFWFLSA-N 0 0 420.494 3.297 50 0 HGAARN CC(=O)Nc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000016047963 569028396 /nfs/dbraw/zinc/02/83/96/569028396.db2.gz KLKPMROATAWTTF-UHFFFAOYSA-N 0 0 421.475 3.196 50 0 HGAARN CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc(C)c3)co2)s1 ZINC000016047714 569028418 /nfs/dbraw/zinc/02/84/18/569028418.db2.gz BXNAXFDLXGKYKI-UHFFFAOYSA-N 0 0 417.468 3.270 50 0 HGAARN C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000012950173 569029409 /nfs/dbraw/zinc/02/94/09/569029409.db2.gz SLPPQRHHGRZSRZ-BLLLJJGKSA-N 0 0 403.866 3.088 50 0 HGAARN CN(C)C(=O)CSc1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000006186813 569029464 /nfs/dbraw/zinc/02/94/64/569029464.db2.gz LSIPGFNXZVWSMT-CQSZACIVSA-N 0 0 406.508 3.058 50 0 HGAARN COc1cc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1OC ZINC000012950907 569029599 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CC1CCC2(CC1)OC[C@@H](C(=O)NCc1ccco1)N2C(=O)c1ccccc1F ZINC000006835237 569047932 /nfs/dbraw/zinc/04/79/32/569047932.db2.gz FCHBQTDWNUDQIZ-WDALLZDZSA-N 0 0 400.450 3.483 50 0 HGAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccccc2OC)CC1 ZINC000012997725 569048353 /nfs/dbraw/zinc/04/83/53/569048353.db2.gz OSFGAACODUKHTA-IBGZPJMESA-N 0 0 402.878 3.021 50 0 HGAARN O=C(NCc1cccc(Cl)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000012997888 569048369 /nfs/dbraw/zinc/04/83/69/569048369.db2.gz XXQRYUXDEPTAHZ-UHFFFAOYSA-N 0 0 413.952 3.054 50 0 HGAARN COC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccncc2)C(=O)C2CCC2)c(C)n1C ZINC000035664602 569048660 /nfs/dbraw/zinc/04/86/60/569048660.db2.gz FJYUTEHAKFDMGE-INIZCTEOSA-N 0 0 411.502 3.224 50 0 HGAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(Cc2ccncc2)C(=O)C2CCC2)c(C)n1C ZINC000035664601 569048669 /nfs/dbraw/zinc/04/86/69/569048669.db2.gz FJYUTEHAKFDMGE-MRXNPFEDSA-N 0 0 411.502 3.224 50 0 HGAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000013008389 569049848 /nfs/dbraw/zinc/04/98/48/569049848.db2.gz FJHGOHFEZQFXFW-UHFFFAOYSA-N 0 0 406.486 3.041 50 0 HGAARN O=C(Nc1ccccc1)[C@@H]1CSCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000013008728 569049929 /nfs/dbraw/zinc/04/99/29/569049929.db2.gz LFJGEYNZNNSUTQ-AWEZNQCLSA-N 0 0 416.446 3.408 50 0 HGAARN CC[C@H](C)n1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc2c1=O ZINC000013016246 569050838 /nfs/dbraw/zinc/05/08/38/569050838.db2.gz KBIJRIOXRRECAP-LBPRGKRZSA-N 0 0 423.498 3.268 50 0 HGAARN O=C(COc1ccc2ccccc2c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000013018443 569051031 /nfs/dbraw/zinc/05/10/31/569051031.db2.gz APBRDMBKTXKRAE-NRFANRHFSA-N 0 0 409.507 3.435 50 0 HGAARN COc1ccccc1Cn1cc(C(=O)NCCn2cccc2)c2ccccc2c1=O ZINC000253414781 569051484 /nfs/dbraw/zinc/05/14/84/569051484.db2.gz YOTANPQOPDKOQH-UHFFFAOYSA-N 0 0 401.466 3.290 50 0 HGAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn(C)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524729461 569051599 /nfs/dbraw/zinc/05/15/99/569051599.db2.gz UYDYBDNJSOWIQU-FQEVSTJZSA-N 0 0 403.486 3.231 50 0 biogenic HGAARN Cc1cc2nc(NCc3ccc(S(=O)(=O)N(C)C)s3)c3ccccc3n2n1 ZINC000026699979 569053286 /nfs/dbraw/zinc/05/32/86/569053286.db2.gz BKUFYQHJWFGDGR-UHFFFAOYSA-N 0 0 401.517 3.115 50 0 HGAARN COc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)NC1CC1 ZINC000239762567 569054518 /nfs/dbraw/zinc/05/45/18/569054518.db2.gz CMDMUKBAGOZXIO-RLFYNMQTSA-N 0 0 406.548 3.225 50 0 HGAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3cccc(O)c3)CC2)cc1 ZINC000245255500 569055484 /nfs/dbraw/zinc/05/54/84/569055484.db2.gz IYAZCJOXRBKAON-WKILWMFISA-N 0 0 418.515 3.124 50 0 HGAARN Cc1cnc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000245256113 569055485 /nfs/dbraw/zinc/05/54/85/569055485.db2.gz NTNOLNDYDYNQDZ-HDJSIYSDSA-N 0 0 411.524 3.314 50 0 HGAARN CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)ccc1OC ZINC000245311951 569055825 /nfs/dbraw/zinc/05/58/25/569055825.db2.gz QUMWUHGCJYLWBL-UEVCKROQSA-N 0 0 404.551 3.288 50 0 HGAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@@H]23)C1O ZINC000245325236 569055842 /nfs/dbraw/zinc/05/58/42/569055842.db2.gz DGCKMEPKTUBWJY-KNTRFNDTSA-N 0 0 424.884 3.184 50 0 HGAARN CCOC(=O)c1ccc2nc(C(F)(F)F)nc(NCCCN3CCCC3=O)c2c1 ZINC000001893372 569057097 /nfs/dbraw/zinc/05/70/97/569057097.db2.gz IGANWXPIBWHLDW-UHFFFAOYSA-N 0 0 410.396 3.250 50 0 HGAARN O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247962990 569057563 /nfs/dbraw/zinc/05/75/63/569057563.db2.gz YJWRXRFXIWIHSC-BDXSIMOUSA-N 0 0 413.260 3.475 50 0 HGAARN O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000247962991 569057635 /nfs/dbraw/zinc/05/76/35/569057635.db2.gz YJWRXRFXIWIHSC-TVFCKZIOSA-N 0 0 413.260 3.475 50 0 HGAARN CN1C(=O)C[C@H](NC(=O)COc2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000089374735 569059026 /nfs/dbraw/zinc/05/90/26/569059026.db2.gz DBGSDQKUGTYSOQ-LPHOPBHVSA-N 0 0 421.266 3.055 50 0 HGAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)c(C)c2oc1=O ZINC000001111303 569060274 /nfs/dbraw/zinc/06/02/74/569060274.db2.gz XMEKHYLKYDIZSP-UHFFFAOYSA-N 0 0 410.422 3.396 50 0 biogenic HGAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3cccc(OC)c3)c(C)c2oc1=O ZINC000001123402 569060298 /nfs/dbraw/zinc/06/02/98/569060298.db2.gz WLAXXWQLFUESJK-UHFFFAOYSA-N 0 0 410.422 3.396 50 0 biogenic HGAARN Cc1ccc(Nc2nc(N=NCc3cccc(F)c3)nc(N3CCOCC3)n2)cc1 ZINC000252612772 569060824 /nfs/dbraw/zinc/06/08/24/569060824.db2.gz IWEPFXGAOVORRX-UHFFFAOYSA-N 0 0 407.453 3.345 50 0 HGAARN Cn1c2ccccc2c2nnc(N=NCc3ccc(I)o3)nc21 ZINC000252617637 569060939 /nfs/dbraw/zinc/06/09/39/569060939.db2.gz KXMHABMDINOPMC-UHFFFAOYSA-N 0 0 418.198 3.160 50 0 HGAARN COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 ZINC000089469952 569060948 /nfs/dbraw/zinc/06/09/48/569060948.db2.gz FAMOZGNYVQGVMO-UHFFFAOYSA-N 0 0 418.515 3.060 50 0 HGAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000016630883 569061098 /nfs/dbraw/zinc/06/10/98/569061098.db2.gz ZVRYBSXZJQMDSK-ZDUSSCGKSA-N 0 0 401.406 3.424 50 0 HGAARN CCOC(=O)C1=C(N)Oc2c3cc(C)ccc3[nH]c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000009008042 569061277 /nfs/dbraw/zinc/06/12/77/569061277.db2.gz YKIHOXNZYJAXSL-KRWDZBQOSA-N 0 0 406.438 3.103 50 0 biogenic HGAARN CCOC(=O)c1sc2ncn(CC(=O)N(c3ccccc3)C(C)C)c(=O)c2c1C ZINC000006497607 569061351 /nfs/dbraw/zinc/06/13/51/569061351.db2.gz KZLMHWSCOAMUFT-UHFFFAOYSA-N 0 0 413.499 3.385 50 0 HGAARN CCCCc1nc2sc3c(c2c(N2CCN(S(C)(=O)=O)CC2)n1)CC[C@@H](C)C3 ZINC000035867959 569063402 /nfs/dbraw/zinc/06/34/02/569063402.db2.gz MNFHKRONMDNBPZ-CQSZACIVSA-N 0 0 422.620 3.240 50 0 HGAARN CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(Cl)cc1Cl)C2=O ZINC000006542727 569064715 /nfs/dbraw/zinc/06/47/15/569064715.db2.gz STSGRYQMMZCKDT-UHFFFAOYSA-N 0 0 412.317 3.153 50 0 HGAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000006552079 569065298 /nfs/dbraw/zinc/06/52/98/569065298.db2.gz SYQVHRMLOBIJRD-VWLOTQADSA-N 0 0 413.477 3.192 50 0 HGAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000035908560 569065428 /nfs/dbraw/zinc/06/54/28/569065428.db2.gz ZTWFVHAVXYZDDH-UHFFFAOYSA-N 0 0 404.518 3.135 50 0 HGAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccccc1OC(F)F ZINC000006552974 569065527 /nfs/dbraw/zinc/06/55/27/569065527.db2.gz QENMPPNEKBJIQB-NRFANRHFSA-N 0 0 415.396 3.010 50 0 HGAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O ZINC000006553466 569065566 /nfs/dbraw/zinc/06/55/66/569065566.db2.gz CCNPOJSKXBOUBY-HOTGVXAUSA-N 0 0 404.474 3.167 50 0 HGAARN O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCSC[C@@H]12 ZINC000035907897 569065583 /nfs/dbraw/zinc/06/55/83/569065583.db2.gz XXTBXZBXPQHFNY-ZOBUZTSGSA-N 0 0 400.466 3.095 50 0 HGAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 ZINC000006578436 569066921 /nfs/dbraw/zinc/06/69/21/569066921.db2.gz AKGWDQYIRXDMJZ-UHFFFAOYSA-N 0 0 403.485 3.229 50 0 HGAARN Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)NC1CCCC1)C2 ZINC000064566436 569067218 /nfs/dbraw/zinc/06/72/18/569067218.db2.gz NDRJUBUGPYZYHX-UHFFFAOYSA-N 0 0 410.453 3.287 50 0 HGAARN Cc1noc(-c2nn(C)c3c2CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)n1 ZINC000064566385 569067219 /nfs/dbraw/zinc/06/72/19/569067219.db2.gz RMYDVKLSGCNMNN-UHFFFAOYSA-N 0 0 406.368 3.388 50 0 HGAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)c1ccc(C)c(C)c1)CC2 ZINC000064567130 569067275 /nfs/dbraw/zinc/06/72/75/569067275.db2.gz NZFPCQKSQIUUKO-UHFFFAOYSA-N 0 0 410.547 3.236 50 0 HGAARN COc1ccc(NC(=O)c2ccc(NC(=O)Cn3nnc4ccccc43)cc2)cc1 ZINC000006580658 569067514 /nfs/dbraw/zinc/06/75/14/569067514.db2.gz CFQJXGRWWGTFNF-UHFFFAOYSA-N 0 0 401.426 3.331 50 0 HGAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 ZINC000006581127 569067556 /nfs/dbraw/zinc/06/75/56/569067556.db2.gz MTJBTESBDDICSV-XMMPIXPASA-N 0 0 405.498 3.162 50 0 HGAARN CCC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC ZINC000035948620 569067603 /nfs/dbraw/zinc/06/76/03/569067603.db2.gz CIWCWHAZUJSXGV-QGZVFWFLSA-N 0 0 415.515 3.311 50 0 HGAARN C[C@@H](Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)Nc1ccccc1F ZINC000006582286 569067918 /nfs/dbraw/zinc/06/79/18/569067918.db2.gz HHHBHCCMCWKIDT-CQSZACIVSA-N 0 0 417.462 3.336 50 0 HGAARN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N1CCNC1=O ZINC000006583494 569067987 /nfs/dbraw/zinc/06/79/87/569067987.db2.gz DMBPZURVSCRLBW-UHFFFAOYSA-N 0 0 405.911 3.358 50 0 HGAARN CCNC(=O)N(C)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1 ZINC000035963124 569068928 /nfs/dbraw/zinc/06/89/28/569068928.db2.gz YSGXSIMUBTXPDJ-NRFANRHFSA-N 0 0 424.501 3.043 50 0 HGAARN CCc1ccccc1NC(=O)CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000064592966 569069429 /nfs/dbraw/zinc/06/94/29/569069429.db2.gz OFZJGFDBOUPAHI-UHFFFAOYSA-N 0 0 423.473 3.313 50 0 HGAARN COc1cccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)c1 ZINC000064593519 569069540 /nfs/dbraw/zinc/06/95/40/569069540.db2.gz YWRHYMDYHDUFNW-UHFFFAOYSA-N 0 0 420.494 3.481 50 0 HGAARN COC(=O)c1cc(OCC(=O)N[C@H](C)c2cccc(Cl)c2)cc(C(=O)OC)c1 ZINC000006602045 569069814 /nfs/dbraw/zinc/06/98/14/569069814.db2.gz SLCWNAZQFOAAFF-GFCCVEGCSA-N 0 0 405.834 3.169 50 0 HGAARN Cc1c(I)ccc(=O)n1Cc1csc(-c2ccccn2)n1 ZINC000089536847 569069968 /nfs/dbraw/zinc/06/99/68/569069968.db2.gz ICSDELRHRXSSKV-UHFFFAOYSA-N 0 0 409.252 3.328 50 0 HGAARN CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(Cl)c2C)c1=O ZINC000064604835 569070877 /nfs/dbraw/zinc/07/08/77/569070877.db2.gz YAHIXFQOIDGILG-UHFFFAOYSA-N 0 0 410.861 3.469 50 0 HGAARN CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(C)cc2C)c1=O ZINC000064604892 569070937 /nfs/dbraw/zinc/07/09/37/569070937.db2.gz LCGKUVIPUZOXQV-UHFFFAOYSA-N 0 0 404.470 3.433 50 0 HGAARN CCc1noc(C)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000006606627 569071293 /nfs/dbraw/zinc/07/12/93/569071293.db2.gz QNFXXSUDNQCNSN-UHFFFAOYSA-N 0 0 407.426 3.456 50 0 HGAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 ZINC000004762400 569071460 /nfs/dbraw/zinc/07/14/60/569071460.db2.gz WJICDXOSQZYXCC-UWJYYQICSA-N 0 0 412.486 3.187 50 0 HGAARN CCc1ccc(CN2CCc3c(C(=O)NC[C@H](C)n4ccnc4)csc3C2)nc1 ZINC000426580899 569073510 /nfs/dbraw/zinc/07/35/10/569073510.db2.gz BWMOGVQDWNYXJQ-INIZCTEOSA-N 0 0 409.559 3.451 50 0 HGAARN COc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)c(O)c1 ZINC000426667419 569073764 /nfs/dbraw/zinc/07/37/64/569073764.db2.gz IWGSJXQRIIHRAI-HSZRJFAPSA-N 0 0 412.461 3.195 50 0 HGAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000006610137 569074105 /nfs/dbraw/zinc/07/41/05/569074105.db2.gz WSGVUSVFTFMLTK-UHFFFAOYSA-N 0 0 415.540 3.267 50 0 HGAARN Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000035990623 569074520 /nfs/dbraw/zinc/07/45/20/569074520.db2.gz MPVNMAYEZFYOFX-UHFFFAOYSA-N 0 0 416.460 3.225 50 0 HGAARN COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c(C)cc(=O)oc4c3)c2c1 ZINC000006624062 569075412 /nfs/dbraw/zinc/07/54/12/569075412.db2.gz OSFZSOTVTOVTPK-UHFFFAOYSA-N 0 0 406.438 3.329 50 0 biogenic HGAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)C3CCC3)CC2)n1 ZINC000036002973 569075491 /nfs/dbraw/zinc/07/54/91/569075491.db2.gz NPUUTLMJZWYENB-UHFFFAOYSA-N 0 0 404.518 3.388 50 0 HGAARN CCCNC(=O)N1CCCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000036006277 569076064 /nfs/dbraw/zinc/07/60/64/569076064.db2.gz UAOBCUZFYDOHID-UHFFFAOYSA-N 0 0 419.533 3.325 50 0 HGAARN CC(C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1F)CC2 ZINC000036014045 569076370 /nfs/dbraw/zinc/07/63/70/569076370.db2.gz WHKVSNXQOOQDPK-JOCHJYFZSA-N 0 0 423.532 3.457 50 0 HGAARN CCN(C)C(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2cc(C)ccc2C)on1 ZINC000036015571 569076579 /nfs/dbraw/zinc/07/65/79/569076579.db2.gz OEJSNAVLVPGVIG-GOSISDBHSA-N 0 0 413.518 3.448 50 0 HGAARN CCCN([C@H](C)C(=O)c1c(C)c(C(=O)OC)n(C)c1C)S(=O)(=O)c1ccccc1 ZINC000036018939 569077330 /nfs/dbraw/zinc/07/73/30/569077330.db2.gz SNCZTFGVYXKTJE-MRXNPFEDSA-N 0 0 420.531 3.101 50 0 HGAARN CCOC(=O)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000006641969 569078129 /nfs/dbraw/zinc/07/81/29/569078129.db2.gz KJIAAGKXTBHOMX-UHFFFAOYSA-N 0 0 410.451 3.164 50 0 HGAARN CC[C@@H](C)N1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1)CC2 ZINC000036026463 569079558 /nfs/dbraw/zinc/07/95/58/569079558.db2.gz RIEWZACFZYJPCG-KNQAVFIVSA-N 0 0 405.542 3.461 50 0 HGAARN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 ZINC000006653066 569081679 /nfs/dbraw/zinc/08/16/79/569081679.db2.gz OAKYLJDCLPBPHA-HNNXBMFYSA-N 0 0 400.862 3.437 50 0 HGAARN COc1ccc(OC)c([C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]2C(=O)NCC(C)C)c1 ZINC000036045266 569081919 /nfs/dbraw/zinc/08/19/19/569081919.db2.gz OMJYMZYCYXDSFK-FCHUYYIVSA-N 0 0 424.541 3.261 50 0 HGAARN COc1ccc(OC)c([C@@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045291 569081921 /nfs/dbraw/zinc/08/19/21/569081921.db2.gz YNSGCEWVTSICSM-SFTDATJTSA-N 0 0 410.514 3.218 50 0 HGAARN COc1ccc(C2=NN(C(=O)Cn3nnc4ccccc43)[C@H](c3ccco3)C2)cc1 ZINC000006652621 569081935 /nfs/dbraw/zinc/08/19/35/569081935.db2.gz IDNSDEZCYKZNBF-FQEVSTJZSA-N 0 0 401.426 3.411 50 0 HGAARN COc1ccc(OC)c([C@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)NCC(C)C)c1 ZINC000036045256 569081942 /nfs/dbraw/zinc/08/19/42/569081942.db2.gz VDCZCUIGPZWRTM-WOJBJXKFSA-N 0 0 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O=C(CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(F)cc1 ZINC000006806507 569131028 /nfs/dbraw/zinc/13/10/28/569131028.db2.gz XYXLNCVAKMMTAK-UHFFFAOYSA-N 0 0 408.433 3.229 50 0 HGAARN COc1ccc(C(=O)N[C@]2(Cc3ccc(F)cc3)N=C3C(C)=CC=CN3C2=O)cc1 ZINC000006806683 569131122 /nfs/dbraw/zinc/13/11/22/569131122.db2.gz YQLHKWIEKNZOPR-QHCPKHFHSA-N 0 0 405.429 3.217 50 0 HGAARN Cc1cn2c(nc3c2c(=O)n(CCCc2ccccc2)c(=O)n3C)n1-c1ccccc1 ZINC000006804480 569131412 /nfs/dbraw/zinc/13/14/12/569131412.db2.gz YNRLRDQFBMHPOX-UHFFFAOYSA-N 0 0 413.481 3.080 50 0 HGAARN COc1ccc(NC(=O)N2CCN([C@H](C(=O)N3CCCC3)C3CCCC3)CC2)cc1 ZINC000036310668 569131766 /nfs/dbraw/zinc/13/17/66/569131766.db2.gz KVUAETLLRYRBGL-NRFANRHFSA-N 0 0 414.550 3.026 50 0 HGAARN COc1ccccc1NC(=O)Cn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000006807708 569131934 /nfs/dbraw/zinc/13/19/34/569131934.db2.gz YHKGTMDJWNCVOJ-UHFFFAOYSA-N 0 0 402.454 3.451 50 0 HGAARN CC[C@@H](C)NC(=O)Cn1ncc2c(C)n(Cc3cccc(Cl)c3)c(C)c2c1=O ZINC000006808013 569132326 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CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C ZINC000064964066 569137147 /nfs/dbraw/zinc/13/71/47/569137147.db2.gz NITKSDZFZCORPG-OAHLLOKOSA-N 0 0 405.520 3.097 50 0 HGAARN O=S(=O)(c1ccc(Br)s1)N1CC(OCc2cccc(F)c2)C1 ZINC000064968776 569137814 /nfs/dbraw/zinc/13/78/14/569137814.db2.gz PZZMVJUYBYVRHZ-UHFFFAOYSA-N 0 0 406.298 3.239 50 0 HGAARN CCOC(=O)C[C@@H](NC(=O)NCc1ccc2c(c1)CCN2C(C)=O)c1ccccc1 ZINC000064968922 569138160 /nfs/dbraw/zinc/13/81/60/569138160.db2.gz QXVVOVYXXXWDCY-HXUWFJFHSA-N 0 0 409.486 3.089 50 0 HGAARN COc1ccc(-c2cc(C(=O)NCCc3nc(-c4ccc(C)cc4)n[nH]3)no2)cc1 ZINC000064969207 569138211 /nfs/dbraw/zinc/13/82/11/569138211.db2.gz NFCJLKOLMKUCQN-UHFFFAOYSA-N 0 0 403.442 3.416 50 0 HGAARN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000006817976 569138777 /nfs/dbraw/zinc/13/87/77/569138777.db2.gz HBLYTGLFBVUOCL-ZDUSSCGKSA-N 0 0 414.512 3.239 50 0 HGAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000006818656 569139046 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Cc1ccc(-c2nnc3sc(NC(=O)COc4ccccc4F)nn32)cc1F ZINC000064980450 569141345 /nfs/dbraw/zinc/14/13/45/569141345.db2.gz ANRLOKVLQQMMLN-UHFFFAOYSA-N 0 0 401.398 3.457 50 0 HGAARN COc1ccc(-c2nnc3sc(NC(=O)COc4cc(C)ccc4C)nn32)cc1 ZINC000064980422 569141360 /nfs/dbraw/zinc/14/13/60/569141360.db2.gz ZANDCWFCQFJKLN-UHFFFAOYSA-N 0 0 409.471 3.496 50 0 HGAARN COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036341012 569141860 /nfs/dbraw/zinc/14/18/60/569141860.db2.gz ISBYYXGNGBJUMW-NRFANRHFSA-N 0 0 413.905 3.359 50 0 HGAARN Cc1ccc(C2=NN(C(=O)CN3CCN(C)CC3)[C@H](c3ccccc3F)C2)c(C)c1 ZINC000036345493 569143177 /nfs/dbraw/zinc/14/31/77/569143177.db2.gz RKEPVGYWHFFSJV-QHCPKHFHSA-N 0 0 408.521 3.368 50 0 HGAARN Cc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985323 569144755 /nfs/dbraw/zinc/14/47/55/569144755.db2.gz ZQIQXVBRUDSAPR-QFIPXVFZSA-N 0 0 422.506 3.268 50 0 HGAARN O=C(Nc1cccc(F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985364 569144799 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COc1ccc(Cn2nnc(C(=O)Nc3cccc(OC)c3)c2-n2cccc2)cc1 ZINC000064999281 569150775 /nfs/dbraw/zinc/15/07/75/569150775.db2.gz NCSPJJQCNWVCGP-UHFFFAOYSA-N 0 0 403.442 3.387 50 0 HGAARN COc1ccc(Cn2nnc(C(=O)NCc3ccccc3F)c2-n2cccc2)cc1 ZINC000064999479 569150855 /nfs/dbraw/zinc/15/08/55/569150855.db2.gz XHADNTMQVRCMBT-UHFFFAOYSA-N 0 0 405.433 3.195 50 0 HGAARN COCCCNC(=O)c1c(=O)n(-c2ccc(Cl)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000866 569151059 /nfs/dbraw/zinc/15/10/59/569151059.db2.gz GVHNSPSIOQUOGH-UHFFFAOYSA-N 0 0 416.905 3.412 50 0 HGAARN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000036360390 569151475 /nfs/dbraw/zinc/15/14/75/569151475.db2.gz JMXOWRSJHDJMKR-ZDUSSCGKSA-N 0 0 414.437 3.399 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)NCc3cccs3)cc2)o1 ZINC000036366059 569152525 /nfs/dbraw/zinc/15/25/25/569152525.db2.gz MIXSMZZZGLTAOO-UHFFFAOYSA-N 0 0 420.512 3.100 50 0 HGAARN COc1ccc(CNC(=O)N2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1 ZINC000065007863 569152761 /nfs/dbraw/zinc/15/27/61/569152761.db2.gz LUYOKJRKPVYWBU-UHFFFAOYSA-N 0 0 417.513 3.492 50 0 HGAARN COc1ccc(CNC(=O)N2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 ZINC000065007799 569153204 /nfs/dbraw/zinc/15/32/04/569153204.db2.gz VPMBJCPEEVTBOV-UHFFFAOYSA-N 0 0 421.476 3.323 50 0 HGAARN CC(C)C(=O)Nc1ccc2c(c1)nc(C1C(=O)C(C(=O)N3CCCC3)=CN1C)n2C ZINC000036369866 569153773 /nfs/dbraw/zinc/15/37/73/569153773.db2.gz PANKXUKWESGGNG-UHFFFAOYSA-N 0 0 409.490 3.115 50 0 biogenic HGAARN CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2C)c1OC ZINC000036369931 569153810 /nfs/dbraw/zinc/15/38/10/569153810.db2.gz CKCZHGSBLGHGCP-UHFFFAOYSA-N 0 0 417.469 3.199 50 0 biogenic HGAARN CCOC(=O)N1CCN(C(=O)c2cnn3c2nccc3-c2ccc(C(C)C)cc2)CC1 ZINC000065026678 569155716 /nfs/dbraw/zinc/15/57/16/569155716.db2.gz UHPJLOYDLBWDEI-UHFFFAOYSA-N 0 0 421.501 3.434 50 0 HGAARN O=C(NC[C@@H]1CCCO1)c1cc(COc2ccc(NC(=O)c3ccccc3)cc2)on1 ZINC000065027031 569155885 /nfs/dbraw/zinc/15/58/85/569155885.db2.gz SOBRWWHYMQGTBA-IBGZPJMESA-N 0 0 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/nfs/dbraw/zinc/46/00/32/132460032.db2.gz CKNJVRDAKBJDOT-QGZVFWFLSA-N 0 0 409.269 3.255 50 0 HGAARN C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c2ccccc2S1 ZINC000015866118 132463203 /nfs/dbraw/zinc/46/32/03/132463203.db2.gz UAHMCWGGYPMQDI-OAHLLOKOSA-N 0 0 417.556 3.010 50 0 HGAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1 ZINC000022296762 132474454 /nfs/dbraw/zinc/47/44/54/132474454.db2.gz FBXXHBVNUYDIFB-HOTGVXAUSA-N 0 0 415.563 3.105 50 0 HGAARN NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1 ZINC000023142817 132478358 /nfs/dbraw/zinc/47/83/58/132478358.db2.gz WUXWXWBPESKNAZ-QGZVFWFLSA-N 0 0 419.460 3.237 50 0 HGAARN O=C(c1cncn1-c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023873179 132482329 /nfs/dbraw/zinc/48/23/29/132482329.db2.gz RTGNRNVOYNJRHO-UHFFFAOYSA-N 0 0 401.392 3.249 50 0 HGAARN COc1ccc(-c2cc(COC(=O)CCN3C(=O)COc4ccccc43)on2)cc1 ZINC000025048503 132485518 /nfs/dbraw/zinc/48/55/18/132485518.db2.gz DWYQCZCYXWTYLH-UHFFFAOYSA-N 0 0 408.410 3.209 50 0 HGAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2)no1 ZINC000033086418 132503324 /nfs/dbraw/zinc/50/33/24/132503324.db2.gz LRIOGYCWKAFWPG-UHFFFAOYSA-N 0 0 416.478 3.003 50 0 HGAARN CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000043955957 518738559 /nfs/dbraw/zinc/73/85/59/518738559.db2.gz UFGHCNUCKVSITK-UHFFFAOYSA-N 0 0 421.485 3.204 50 0 HGAARN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3ccccc3)cc(C(C)C)nc21 ZINC000032032099 519483388 /nfs/dbraw/zinc/48/33/88/519483388.db2.gz LJPGAKLYOJVNBT-UHFFFAOYSA-N 0 0 408.502 3.136 50 0 HGAARN CC(=O)N1CCC(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)CC1 ZINC000032863724 519514285 /nfs/dbraw/zinc/51/42/85/519514285.db2.gz YPVSYYJZJNHSKN-UHFFFAOYSA-N 0 0 411.531 3.481 50 0 HGAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000032900223 519663898 /nfs/dbraw/zinc/66/38/98/519663898.db2.gz MYVQQQNDCTXUKP-QGZVFWFLSA-N 0 0 418.497 3.251 50 0 HGAARN CC(=O)N[C@H](CC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1ccc(C)cc1 ZINC000032898967 519695094 /nfs/dbraw/zinc/69/50/94/519695094.db2.gz ZQFJRONFCLHHRY-JOCHJYFZSA-N 0 0 408.498 3.389 50 0 HGAARN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1C ZINC000032753735 519743431 /nfs/dbraw/zinc/74/34/31/519743431.db2.gz MOUYSHDCNIRLOI-KRWDZBQOSA-N 0 0 421.544 3.115 50 0 HGAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000032885728 519821279 /nfs/dbraw/zinc/82/12/79/519821279.db2.gz KXQTWOAHCTYGNS-KRWDZBQOSA-N 0 0 407.561 3.354 50 0 HGAARN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H]1CCSC1 ZINC000225736512 519821320 /nfs/dbraw/zinc/82/13/20/519821320.db2.gz OHLYAMFZZZAMKC-BEFAXECRSA-N 0 0 406.573 3.012 50 0 HGAARN CC(C)c1ccc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nn3)CC2)cc1 ZINC000032900264 519835998 /nfs/dbraw/zinc/83/59/98/519835998.db2.gz JGAFPAVIJRTZPX-UHFFFAOYSA-N 0 0 403.530 3.408 50 0 HGAARN CC(C)c1cccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 ZINC000032860162 519841571 /nfs/dbraw/zinc/84/15/71/519841571.db2.gz PTFYJSZMQAQMQR-QGZVFWFLSA-N 0 0 422.529 3.444 50 0 HGAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2cc(OC)cc(OC)c2[nH]1 ZINC000032909583 520340085 /nfs/dbraw/zinc/34/00/85/520340085.db2.gz ADAGWEALOXSSJI-UHFFFAOYSA-N 0 0 413.449 3.103 50 0 HGAARN CCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC ZINC000040979695 520702535 /nfs/dbraw/zinc/70/25/35/520702535.db2.gz QSPCOFAPUUSMMK-OAHLLOKOSA-N 0 0 422.283 3.076 50 0 HGAARN CCOc1ccc(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1OCC ZINC000045961348 520938727 /nfs/dbraw/zinc/93/87/27/520938727.db2.gz ZCCHTTYJYCNHDQ-UHFFFAOYSA-N 0 0 401.854 3.294 50 0 HGAARN CCOC(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000032799845 520960244 /nfs/dbraw/zinc/96/02/44/520960244.db2.gz HORMZRVJVVQWNR-QWHCGFSZSA-N 0 0 402.322 3.333 50 0 HGAARN CCOc1ccc(CN2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)cc1 ZINC000036385767 520976252 /nfs/dbraw/zinc/97/62/52/520976252.db2.gz YGAXOMXVAAPJNR-HSZRJFAPSA-N 0 0 420.557 3.340 50 0 HGAARN CCOc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000032949418 521110142 /nfs/dbraw/zinc/11/01/42/521110142.db2.gz UNKFWVTWDJSPJM-LJQANCHMSA-N 0 0 406.479 3.406 50 0 HGAARN CCCC[C@H](CC)CNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC ZINC000029707580 521174668 /nfs/dbraw/zinc/17/46/68/521174668.db2.gz RITBGYYDOXWCBK-INIZCTEOSA-N 0 0 422.595 3.359 50 0 HGAARN CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2=O)cc1 ZINC000032795948 521276815 /nfs/dbraw/zinc/27/68/15/521276815.db2.gz KNFBDAQXFNYGRY-INIZCTEOSA-N 0 0 407.470 3.352 50 0 HGAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(C(C)C)cc2)n1 ZINC000007420423 521340277 /nfs/dbraw/zinc/34/02/77/521340277.db2.gz YKIWSQJKLZBBTO-UHFFFAOYSA-N 0 0 409.490 3.357 50 0 HGAARN CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000040478521 521360214 /nfs/dbraw/zinc/36/02/14/521360214.db2.gz CDVXOXKPEJZHTL-UHFFFAOYSA-N 0 0 403.841 3.395 50 0 HGAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)S(=O)(=O)CC)c1C ZINC000032974560 521383618 /nfs/dbraw/zinc/38/36/18/521383618.db2.gz ZUMZFROMJDNMPB-UHFFFAOYSA-N 0 0 408.520 3.169 50 0 HGAARN CCOc1cccc2cc([C@@H](C)NC(=O)c3cccc(S(=O)(=O)NC)c3)oc21 ZINC000032748293 521433824 /nfs/dbraw/zinc/43/38/24/521433824.db2.gz JJAHVSLBHRGNEJ-CYBMUJFWSA-N 0 0 402.472 3.231 50 0 HGAARN CCOc1cccc2cc([C@H](C)NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)oc21 ZINC000032845476 521436454 /nfs/dbraw/zinc/43/64/54/521436454.db2.gz GSYFPJYNDZVGQF-AWEZNQCLSA-N 0 0 421.453 3.102 50 0 HGAARN CCN(Cc1nc(N)nc(Nc2ccccc2C)n1)C[C@@H]1COc2ccccc2O1 ZINC000032654932 521450847 /nfs/dbraw/zinc/45/08/47/521450847.db2.gz XDMVENUCEQJHAS-MRXNPFEDSA-N 0 0 406.490 3.168 50 0 HGAARN CCOc1ccccc1CNC(=O)CCn1nc(-c2cccc(OC)c2)ccc1=O ZINC000041254094 521491347 /nfs/dbraw/zinc/49/13/47/521491347.db2.gz BGQUNICJPQBTGN-UHFFFAOYSA-N 0 0 407.470 3.024 50 0 HGAARN CCOc1ccccc1CNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000020190142 521493888 /nfs/dbraw/zinc/49/38/88/521493888.db2.gz FILUZGARKAPDMN-UHFFFAOYSA-N 0 0 410.426 3.302 50 0 HGAARN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1cc(OC)ccc1OC ZINC000024865718 521693532 /nfs/dbraw/zinc/69/35/32/521693532.db2.gz YPIHNYOWUPHCJM-UHFFFAOYSA-N 0 0 415.515 3.373 50 0 HGAARN CCc1cccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4cccs4)nn32)c1 ZINC000045925853 521754268 /nfs/dbraw/zinc/75/42/68/521754268.db2.gz KYGDHOCUUQZRBF-UHFFFAOYSA-N 0 0 411.512 3.439 50 0 HGAARN CCSc1ncc(Cl)c(C(=O)NCCCC(=O)Nc2ccc(OC)cc2)n1 ZINC000041156932 521788256 /nfs/dbraw/zinc/78/82/56/521788256.db2.gz WWAFGATYMTUVBH-UHFFFAOYSA-N 0 0 408.911 3.399 50 0 HGAARN COc1c2c(c(NC(=O)COc3ccc(Cl)cc3)c3c1CN(C)CC3)OCO2 ZINC000032123875 521884291 /nfs/dbraw/zinc/88/42/91/521884291.db2.gz KQIAQUSULCOHTD-UHFFFAOYSA-N 0 0 404.850 3.083 50 0 biogenic HGAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c4c([nH]c32)CCCC4)s1 ZINC000032795858 521981364 /nfs/dbraw/zinc/98/13/64/521981364.db2.gz DPBCQUNEDLUAKG-UHFFFAOYSA-N 0 0 417.556 3.289 50 0 HGAARN CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccccc1Cl ZINC000032778274 522068435 /nfs/dbraw/zinc/06/84/35/522068435.db2.gz VCWQHESAHYKIRM-HXUWFJFHSA-N 0 0 414.937 3.006 50 0 HGAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000019908877 522175935 /nfs/dbraw/zinc/17/59/35/522175935.db2.gz LTJBRRKNENDYBG-FQEVSTJZSA-N 0 0 418.921 3.113 50 0 HGAARN CN(C)c1nc(-n2cnc(SCc3ccc(Cl)cc3)n2)nc(N2CCCC2)n1 ZINC000032598865 522318083 /nfs/dbraw/zinc/31/80/83/522318083.db2.gz JDYJMQAVMNGNQU-UHFFFAOYSA-N 0 0 416.942 3.064 50 0 HGAARN COc1cc(CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C2CC2)ccc1OC(F)F ZINC000032772486 522340488 /nfs/dbraw/zinc/34/04/88/522340488.db2.gz GOGHDDVSIMPYDO-UHFFFAOYSA-N 0 0 418.396 3.432 50 0 HGAARN CCc1nc(S[C@@H](C(=O)NC(N)=O)C(C)C)nc(N)c1-c1ccc(Cl)cc1 ZINC000032905965 522408725 /nfs/dbraw/zinc/40/87/25/522408725.db2.gz UPXABHCCYDIWFQ-CQSZACIVSA-N 0 0 407.927 3.253 50 0 HGAARN CN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000032512306 522428348 /nfs/dbraw/zinc/42/83/48/522428348.db2.gz CKOCVRFKNNNDOY-IFMALSPDSA-N 0 0 418.603 3.344 50 0 HGAARN COc1cc(NC(=O)Cc2ccc(OC)c(OC)c2)cc2sc(NC(C)=O)nc21 ZINC000032961280 522672393 /nfs/dbraw/zinc/67/23/93/522672393.db2.gz KRMLFKFZVKBKLY-UHFFFAOYSA-N 0 0 415.471 3.462 50 0 HGAARN COc1cc(OC)c(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)cc1Cl ZINC000044841824 522799338 /nfs/dbraw/zinc/79/93/38/522799338.db2.gz WLFAWNPCYIFSPT-UHFFFAOYSA-N 0 0 411.241 3.375 50 0 HGAARN COc1cc(OC)cc(C(=O)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 ZINC000012406690 522846181 /nfs/dbraw/zinc/84/61/81/522846181.db2.gz JQMNMVWRVXZMMT-UHFFFAOYSA-N 0 0 421.497 3.102 50 0 HGAARN COC(=O)C1=C(C(=O)OC)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccccc1F ZINC000032936412 522864603 /nfs/dbraw/zinc/86/46/03/522864603.db2.gz LPJPTXQZBIFNNA-INIZCTEOSA-N 0 0 418.808 3.350 50 0 HGAARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@@]1(NC(=O)CC(C)C)C(F)(F)F ZINC000020568732 522865625 /nfs/dbraw/zinc/86/56/25/522865625.db2.gz XBXYIAYCZZVIBZ-GOSISDBHSA-N 0 0 404.429 3.072 50 0 HGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCc3c[nH]c4ccccc34)nn1C)C2 ZINC000032124165 523021029 /nfs/dbraw/zinc/02/10/29/523021029.db2.gz SWEQAVSASGABIH-UHFFFAOYSA-N 0 0 416.481 3.462 50 0 biogenic HGAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1cc(Cl)ccc1OC)CCS2 ZINC000020154912 523104459 /nfs/dbraw/zinc/10/44/59/523104459.db2.gz KGGAXCSSBRAFGI-UHFFFAOYSA-N 0 0 411.936 3.304 50 0 HGAARN CCn1c(=O)c2cccnc2nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000032876489 523105556 /nfs/dbraw/zinc/10/55/56/523105556.db2.gz CBXMNPSAOVNITQ-UHFFFAOYSA-N 0 0 404.879 3.204 50 0 HGAARN COc1ccc(-c2cc(N3CCC(C(=O)Nc4nnc(C)s4)CC3)ncn2)cc1 ZINC000077191867 523112044 /nfs/dbraw/zinc/11/20/44/523112044.db2.gz WYZWDAKVCKUJDK-UHFFFAOYSA-N 0 0 410.503 3.167 50 0 HGAARN CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000032895556 523149679 /nfs/dbraw/zinc/14/96/79/523149679.db2.gz BUAUVEMLRACVLK-LBPRGKRZSA-N 0 0 403.378 3.046 50 0 HGAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2ccccc2OC)cc1 ZINC000032073613 523249994 /nfs/dbraw/zinc/24/99/94/523249994.db2.gz ZRPOGRNCPBQIFN-KRWDZBQOSA-N 0 0 406.442 3.398 50 0 HGAARN COCc1nn2c(nnc3c2ccn(Cc2ccccc2)c3=O)c1-c1ccc(F)cc1 ZINC000040392116 523250355 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CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000032903357 523561778 /nfs/dbraw/zinc/56/17/78/523561778.db2.gz BFSSAJPWVCKWDU-UHFFFAOYSA-N 0 0 412.396 3.076 50 0 HGAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000041097290 523595227 /nfs/dbraw/zinc/59/52/27/523595227.db2.gz BXRBICMYKCVENA-HXUWFJFHSA-N 0 0 410.514 3.005 50 0 HGAARN CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccn2)[C@H]1c1ccc2c(c1)OCO2 ZINC000040266406 523736846 /nfs/dbraw/zinc/73/68/46/523736846.db2.gz PSTCLBHGGSYRCI-FCHUYYIVSA-N 0 0 415.449 3.037 50 0 HGAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000040268347 523737247 /nfs/dbraw/zinc/73/72/47/523737247.db2.gz FEVZCDGLFWVTNJ-NHCUHLMSSA-N 0 0 401.422 3.360 50 0 HGAARN COc1ccc(C(=O)Nc2cc3c(Nc4ccccc4)ncnc3[nH]c2=O)cc1OC ZINC000390834885 523745922 /nfs/dbraw/zinc/74/59/22/523745922.db2.gz LYUNMAFSEMBHOH-UHFFFAOYSA-N 0 0 417.425 3.117 50 0 HGAARN COCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000020227702 523803991 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/nfs/dbraw/zinc/82/21/54/558822154.db2.gz KIWYGIGDEDXICE-OAQYLSRUSA-N 0 0 402.510 3.050 50 0 HGAARN COc1ccc(CN2CCN(Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c(F)c1 ZINC000039533077 558822178 /nfs/dbraw/zinc/82/21/78/558822178.db2.gz WFTUTWHAHGNZOR-OAQYLSRUSA-N 0 0 400.494 3.106 50 0 HGAARN O=C(CNc1cccc(-c2ccc(Cl)c(Cl)c2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000071818411 558824608 /nfs/dbraw/zinc/82/46/08/558824608.db2.gz PSCPDDVRJGIUSW-HNNXBMFYSA-N 0 0 413.326 3.376 50 0 HGAARN COC(=O)CCn1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccccc2c1=O ZINC000017181407 558825136 /nfs/dbraw/zinc/82/51/36/558825136.db2.gz GMYRPXWQRAJMEU-UHFFFAOYSA-N 0 0 422.506 3.423 50 0 HGAARN Cc1cc(C)n(CCCNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 ZINC000032999750 558826280 /nfs/dbraw/zinc/82/62/80/558826280.db2.gz MKSHLZGAGGEZGG-SFHVURJKSA-N 0 0 402.926 3.212 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)COC(=O)Cn1c(C)cc3ccccc31)CC2 ZINC000010622200 558829353 /nfs/dbraw/zinc/82/93/53/558829353.db2.gz OSVZXSJRPUNHIC-UHFFFAOYSA-N 0 0 422.481 3.095 50 0 HGAARN COc1cccc(CNC(=O)CSc2nnc(C(=O)Nc3ccccc3)s2)c1 ZINC000033011969 558831594 /nfs/dbraw/zinc/83/15/94/558831594.db2.gz PDWZOURKWVVTDO-UHFFFAOYSA-N 0 0 414.512 3.208 50 0 HGAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)[C@@H]1C ZINC000004598131 558834013 /nfs/dbraw/zinc/83/40/13/558834013.db2.gz GZLCWTWQAQNQOR-JFQIGJKKSA-N 0 0 411.546 3.437 50 0 HGAARN CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004597988 558834029 /nfs/dbraw/zinc/83/40/29/558834029.db2.gz LVUPFFTYSLXMFA-VMBOVVBDSA-N 0 0 406.548 3.461 50 0 HGAARN COc1ccccc1C(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C1CC1 ZINC000000741666 558834250 /nfs/dbraw/zinc/83/42/50/558834250.db2.gz OJQNVITVIKCROL-LJQANCHMSA-N 0 0 412.486 3.101 50 0 HGAARN Cc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)S(=O)(=O)c2ccccc2)cc1 ZINC000033014199 558834284 /nfs/dbraw/zinc/83/42/84/558834284.db2.gz NGTLRYNEKUCNKL-UHFFFAOYSA-N 0 0 407.499 3.445 50 0 HGAARN COc1cccc(CNC(=O)NCCCn2c(-c3ccncc3)nc3cccnc32)c1 ZINC000033025679 558846395 /nfs/dbraw/zinc/84/63/95/558846395.db2.gz GQJAMBNTNQGBOA-UHFFFAOYSA-N 0 0 416.485 3.391 50 0 HGAARN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169108 558847275 /nfs/dbraw/zinc/84/72/75/558847275.db2.gz ZWKGDCTXNBEQDU-AABGKKOBSA-N 0 0 411.889 3.193 50 0 HGAARN O=C(CCCc1ccccc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000049343639 558848794 /nfs/dbraw/zinc/84/87/94/558848794.db2.gz XFXUDANLVCUTJZ-UHFFFAOYSA-N 0 0 402.502 3.287 50 0 HGAARN O=C(NCCCc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013648329 558850829 /nfs/dbraw/zinc/85/08/29/558850829.db2.gz OGGYFIFPZDAFRT-UHFFFAOYSA-N 0 0 406.935 3.487 50 0 HGAARN C[C@@H](Cc1cccc(F)c1)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000060338748 558852067 /nfs/dbraw/zinc/85/20/67/558852067.db2.gz ZEVMBDCRKZLWDY-INIZCTEOSA-N 0 0 417.912 3.123 50 0 HGAARN COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1C ZINC000013696983 558856497 /nfs/dbraw/zinc/85/64/97/558856497.db2.gz YQODLHDCRFAALS-UHFFFAOYSA-N 0 0 400.500 3.412 50 0 HGAARN CCOC(=O)Cc1cs/c(=N\c2ccc(Cl)cc2)n1CCCN1CCOCC1 ZINC000004614643 558858746 /nfs/dbraw/zinc/85/87/46/558858746.db2.gz LMSFYPCEZDHGKC-XDOYNYLZSA-N 0 0 423.966 3.263 50 0 HGAARN COc1ccc2c(C)c(CC(=O)NCCn3ccc4c3cccc4OC)c(=O)oc2c1 ZINC000072324735 558861677 /nfs/dbraw/zinc/86/16/77/558861677.db2.gz FTXATPQHGTWNPI-UHFFFAOYSA-N 0 0 420.465 3.432 50 0 biogenic HGAARN COc1cccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)c1 ZINC000013752311 558864232 /nfs/dbraw/zinc/86/42/32/558864232.db2.gz SUWIYLPDMGUIOM-GDNBJRDFSA-N 0 0 414.284 3.137 50 0 HGAARN COc1ccccc1OCCN1c2ccccc2[C@@](O)(CC(=O)c2ccco2)C1=O ZINC000068713380 558864504 /nfs/dbraw/zinc/86/45/04/558864504.db2.gz KPNKOOXJIVXMFS-QHCPKHFHSA-N 0 0 407.422 3.174 50 0 HGAARN CCc1ccc(N2C[C@H](C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)CC2=O)cc1 ZINC000053774241 558865310 /nfs/dbraw/zinc/86/53/10/558865310.db2.gz PNKZSKYQXSOOKO-QGZVFWFLSA-N 0 0 415.534 3.118 50 0 HGAARN CCCCN1c2ccccc2/C(=c2/sc3nc(-c4ccccc4C)nn3c2=O)C1=O ZINC000013757896 558865625 /nfs/dbraw/zinc/86/56/25/558865625.db2.gz AWYNFAOQKDMAGC-HNENSFHCSA-N 0 0 416.506 3.191 50 0 HGAARN Cc1cc(C(=O)N(Cc2ccccc2F)C2CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000019296177 558865820 /nfs/dbraw/zinc/86/58/20/558865820.db2.gz HJAQKGMTXXAIPK-UHFFFAOYSA-N 0 0 404.507 3.498 50 0 HGAARN COc1cc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc(OC)c1OC ZINC000033071822 558866716 /nfs/dbraw/zinc/86/67/16/558866716.db2.gz BDLMYBNADIMDHT-MRXNPFEDSA-N 0 0 424.501 3.122 50 0 HGAARN COc1ccc(-c2noc(CN3CCN(c4ccccc4)C[C@H]3C)n2)c(OC)c1OC ZINC000055036624 558870026 /nfs/dbraw/zinc/87/00/26/558870026.db2.gz AATLLWRRRFLICL-MRXNPFEDSA-N 0 0 424.501 3.473 50 0 HGAARN O=C(NCc1ccc(F)cc1)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088504 558871251 /nfs/dbraw/zinc/87/12/51/558871251.db2.gz HZABOTBVPQBGDP-UHFFFAOYSA-N 0 0 405.311 3.472 50 0 HGAARN CC(C)OCCCNC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000033089239 558871354 /nfs/dbraw/zinc/87/13/54/558871354.db2.gz ZZTTZQLMKCERNH-GFCCVEGCSA-N 0 0 407.308 3.426 50 0 HGAARN CCCC(=O)Nc1cccc(C(=O)NCCN2N=C(c3ccccc3)CCC2=O)c1 ZINC000055088374 558871717 /nfs/dbraw/zinc/87/17/17/558871717.db2.gz JMGQQTIFQJCXMR-UHFFFAOYSA-N 0 0 406.486 3.182 50 0 HGAARN C[C@@H]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000004661095 558873823 /nfs/dbraw/zinc/87/38/23/558873823.db2.gz XHTOWJGWJPZOIX-IOASZLSFSA-N 0 0 417.369 3.058 50 0 HGAARN COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)NCC(C)C)C3)s2)cc1 ZINC000033113167 558875104 /nfs/dbraw/zinc/87/51/04/558875104.db2.gz COTXTAMOQFOFRS-CQSZACIVSA-N 0 0 417.535 3.344 50 0 HGAARN COc1ccc(OC)c(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000019361440 558876407 /nfs/dbraw/zinc/87/64/07/558876407.db2.gz IYHVYLZWLPTWRT-UHFFFAOYSA-N 0 0 416.518 3.047 50 0 HGAARN CC(C)c1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019363091 558876565 /nfs/dbraw/zinc/87/65/65/558876565.db2.gz GSTPRBGSQIQSDD-OAQYLSRUSA-N 0 0 412.530 3.096 50 0 HGAARN CCOC(=O)N1CCC(N(CCOC)C(=S)Nc2ccc(OCC)cc2)CC1 ZINC000004669336 558877203 /nfs/dbraw/zinc/87/72/03/558877203.db2.gz MNXDRMTYTZPWOE-UHFFFAOYSA-N 0 0 409.552 3.351 50 0 HGAARN Cc1ncoc1C(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055328046 558879414 /nfs/dbraw/zinc/87/94/14/558879414.db2.gz IXCLMQHBOOXVKP-GOSISDBHSA-N 0 0 422.451 3.429 50 0 HGAARN Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)no1 ZINC000055371327 558880429 /nfs/dbraw/zinc/88/04/29/558880429.db2.gz RJXXQAMZVYTJSC-GOSISDBHSA-N 0 0 422.451 3.429 50 0 HGAARN CCN(CCNC(=O)CCN1N=C(c2ccc(C)cc2)CCC1=O)c1ccccc1 ZINC000004669604 558880698 /nfs/dbraw/zinc/88/06/98/558880698.db2.gz CDWVBKHEZAVACX-UHFFFAOYSA-N 0 0 406.530 3.354 50 0 HGAARN COc1ccc(-n2nc(SCC(=O)Nc3cc(F)ccc3F)ccc2=O)cc1 ZINC000033128398 558882126 /nfs/dbraw/zinc/88/21/26/558882126.db2.gz HYNSWQCQCUQWRQ-UHFFFAOYSA-N 0 0 403.410 3.250 50 0 HGAARN Cc1cc(C)c(CN2CCN(CC(=O)Nc3ccc(C)c(C)c3)S2(=O)=O)c(C)c1 ZINC000033045397 558882470 /nfs/dbraw/zinc/88/24/70/558882470.db2.gz XCEUPUHXALNCNQ-UHFFFAOYSA-N 0 0 415.559 3.230 50 0 HGAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccc(F)cc3F)n2)cc1 ZINC000013801083 558882501 /nfs/dbraw/zinc/88/25/01/558882501.db2.gz FIIQCSBHPDYDLL-UHFFFAOYSA-N 0 0 413.424 3.082 50 0 HGAARN COc1ccccc1N1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000055565690 558882727 /nfs/dbraw/zinc/88/27/27/558882727.db2.gz BFZGMJOCBWVWCF-UHFFFAOYSA-N 0 0 404.308 3.218 50 0 HGAARN COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000033047608 558883548 /nfs/dbraw/zinc/88/35/48/558883548.db2.gz RABGUTKHCGRJKY-CQSZACIVSA-N 0 0 421.824 3.421 50 0 HGAARN COc1ccc(COC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1F ZINC000005806173 558883997 /nfs/dbraw/zinc/88/39/97/558883997.db2.gz LSMKTUOSWYCGPM-UHFFFAOYSA-N 0 0 407.463 3.366 50 0 HGAARN COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)sc2C)c1 ZINC000033129563 558885489 /nfs/dbraw/zinc/88/54/89/558885489.db2.gz SJEZQYIHALXADI-UHFFFAOYSA-N 0 0 410.517 3.111 50 0 HGAARN Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)c1 ZINC000033131454 558887888 /nfs/dbraw/zinc/88/78/88/558887888.db2.gz JDDDQKNWWNKADF-UHFFFAOYSA-N 0 0 424.975 3.316 50 0 HGAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccco2)cc1 ZINC000033141774 558893473 /nfs/dbraw/zinc/89/34/73/558893473.db2.gz QXQUFKDZXFPOBL-UHFFFAOYSA-N 0 0 406.485 3.105 50 0 HGAARN COc1ccc(CN2CCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000058005862 558894580 /nfs/dbraw/zinc/89/45/80/558894580.db2.gz KIPGNOQWTLUJQX-FQEVSTJZSA-N 0 0 417.550 3.129 50 0 HGAARN C[C@@H](SCc1ccccc1)C(=O)N1CCN(c2ncc(Br)cn2)CC1 ZINC000058045356 558896590 /nfs/dbraw/zinc/89/65/90/558896590.db2.gz SZBLUFYVDGODHR-CQSZACIVSA-N 0 0 421.364 3.210 50 0 HGAARN COC(=O)c1c(C)nn2c1ncc1c2ccn(-c2cccc(Cl)c2Cl)c1=O ZINC000071375586 558896942 /nfs/dbraw/zinc/89/69/42/558896942.db2.gz DZQAQXWIARELBZ-UHFFFAOYSA-N 0 0 403.225 3.435 50 0 HGAARN O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)c1cc(-c2ccccc2)n[nH]1 ZINC000058061848 558897304 /nfs/dbraw/zinc/89/73/04/558897304.db2.gz RJYILECLYCLWDN-LJQANCHMSA-N 0 0 405.502 3.143 50 0 HGAARN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000004689045 558899196 /nfs/dbraw/zinc/89/91/96/558899196.db2.gz URGSOKASICEDMF-UHFFFAOYSA-N 0 0 400.859 3.185 50 0 HGAARN Cc1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)c(Br)c1 ZINC000058120484 558900015 /nfs/dbraw/zinc/90/00/15/558900015.db2.gz QXJLEASXQLSRBE-UHFFFAOYSA-N 0 0 404.308 3.224 50 0 HGAARN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CCCNC(=O)c3ccco3)ccc21 ZINC000058154663 558902643 /nfs/dbraw/zinc/90/26/43/558902643.db2.gz BWCJXTYYNPJDMV-UHFFFAOYSA-N 0 0 424.501 3.251 50 0 HGAARN Cc1cc(C(=O)NC2CCN(C(=O)c3csc(-c4ccsc4)n3)CC2)on1 ZINC000058157371 558903306 /nfs/dbraw/zinc/90/33/06/558903306.db2.gz CLJJBSIEEHFAFY-UHFFFAOYSA-N 0 0 402.501 3.203 50 0 HGAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)c1ccco1 ZINC000033169902 558903300 /nfs/dbraw/zinc/90/33/00/558903300.db2.gz XDQFIBDNDGMNJS-JTQLQIEISA-N 0 0 422.319 3.334 50 0 HGAARN COc1ccc(C(=O)[C@@H]2CCCN(Cc3nccc(OC)c3OC)C2)cc1OC ZINC000071524634 558904516 /nfs/dbraw/zinc/90/45/16/558904516.db2.gz UFFLXCNQBKFYGG-MRXNPFEDSA-N 0 0 400.475 3.211 50 0 HGAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)N(C[C@@H]3CCOC3)C3CC3)cc2)c1C ZINC000058162080 558905841 /nfs/dbraw/zinc/90/58/41/558905841.db2.gz ITUCRTGEQNFSSV-INIZCTEOSA-N 0 0 412.490 3.390 50 0 HGAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)N(C[C@H]3CCOC3)C3CC3)cc2)c1C ZINC000058162081 558905861 /nfs/dbraw/zinc/90/58/61/558905861.db2.gz ITUCRTGEQNFSSV-MRXNPFEDSA-N 0 0 412.490 3.390 50 0 HGAARN CCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000058162291 558906072 /nfs/dbraw/zinc/90/60/72/558906072.db2.gz KCGPBZHGTWNQKN-KRWDZBQOSA-N 0 0 410.518 3.193 50 0 HGAARN COc1ccccc1CC(=O)N1CCCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000058166320 558906955 /nfs/dbraw/zinc/90/69/55/558906955.db2.gz IVYJXZBGGMJUTA-UHFFFAOYSA-N 0 0 419.481 3.267 50 0 HGAARN O=S(=O)(N[C@H]1Cc2ccccc2[C@H]1NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000058166943 558907139 /nfs/dbraw/zinc/90/71/39/558907139.db2.gz AMPRDAWANTZJSG-NZQKXSOJSA-N 0 0 422.506 3.149 50 0 HGAARN CC(C)c1noc(CCCNC(=O)NCc2cccc(NC(=O)c3ccco3)c2)n1 ZINC000058172981 558908593 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407.919 3.243 50 0 HGAARN CCc1nn(CC(=O)NCCCSC2CCCCC2)c(=O)c2cc3occc3n21 ZINC000005149458 559253284 /nfs/dbraw/zinc/25/32/84/559253284.db2.gz ZEAOUEVTBOQPOO-UHFFFAOYSA-N 0 0 416.547 3.377 50 0 HGAARN CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000005152866 559254253 /nfs/dbraw/zinc/25/42/53/559254253.db2.gz QZODPGUILFWTJD-OAQYLSRUSA-N 0 0 418.497 3.204 50 0 HGAARN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 ZINC000011717888 559254824 /nfs/dbraw/zinc/25/48/24/559254824.db2.gz MZISYAITDFGVTM-AWEZNQCLSA-N 0 0 415.515 3.244 50 0 HGAARN COc1cc(OC)cc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)cs3)c2N)c1 ZINC000038486916 559255830 /nfs/dbraw/zinc/25/58/30/559255830.db2.gz ZJCBKMFQBLSTQY-UHFFFAOYSA-N 0 0 423.454 3.386 50 0 HGAARN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000011747649 559256867 /nfs/dbraw/zinc/25/68/67/559256867.db2.gz KOSYRBYNGDKVBB-AWEZNQCLSA-N 0 0 404.825 3.035 50 0 HGAARN COc1ccc(-n2nnc(C(=O)NCCc3cccs3)c2-c2cccnc2)cc1 ZINC000038487706 559257028 /nfs/dbraw/zinc/25/70/28/559257028.db2.gz WOVCIXRSXMIXRG-UHFFFAOYSA-N 0 0 405.483 3.372 50 0 HGAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751557 559257381 /nfs/dbraw/zinc/25/73/81/559257381.db2.gz GZSDXOATTUAOSL-SNVBAGLBSA-N 0 0 417.874 3.478 50 0 HGAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)CC2=O)cc1 ZINC000011753092 559257594 /nfs/dbraw/zinc/25/75/94/559257594.db2.gz MSLNMSJUYVBVNT-QGZVFWFLSA-N 0 0 421.497 3.376 50 0 HGAARN COc1ccc(-c2nc(CCNS(=O)(=O)c3ccc(F)cc3)cs2)cc1OC ZINC000011758721 559257776 /nfs/dbraw/zinc/25/77/76/559257776.db2.gz MLPYIOYRRMUIFI-UHFFFAOYSA-N 0 0 422.503 3.487 50 0 HGAARN COc1ccc(Cl)cc1CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 ZINC000011765324 559258761 /nfs/dbraw/zinc/25/87/61/559258761.db2.gz ZFHOZJFQXGOUGV-INIZCTEOSA-N 0 0 424.954 3.248 50 0 HGAARN C[C@H](Sc1nnc(N2CCCC2)n1C1CC1)C(=O)NCCc1ccc(F)cc1 ZINC000011780542 559259119 /nfs/dbraw/zinc/25/91/19/559259119.db2.gz SSROJTLNQSHHRV-AWEZNQCLSA-N 0 0 403.527 3.192 50 0 HGAARN CCCN(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000248011958 559259424 /nfs/dbraw/zinc/25/94/24/559259424.db2.gz CBBWLCMQQPCCPE-HIFRSBDPSA-N 0 0 421.390 3.412 50 0 HGAARN O=C(CCc1csc(NC(=O)c2ccccc2)n1)NCc1ccc2c(c1)OCO2 ZINC000011835019 559260984 /nfs/dbraw/zinc/26/09/84/559260984.db2.gz FFPDSUCBGGGKTJ-UHFFFAOYSA-N 0 0 409.467 3.373 50 0 HGAARN CCOc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3N=C3c4ccccc4C(=O)C32)cc1 ZINC000100744706 559261700 /nfs/dbraw/zinc/26/17/00/559261700.db2.gz QPCMKGGXRUVGDR-QGZVFWFLSA-N 0 0 415.449 3.032 50 0 biogenic HGAARN COc1cccc2[nH]c(C(=O)NCCC(=O)NCCc3c[nH]c4ccccc34)cc21 ZINC000011867269 559263650 /nfs/dbraw/zinc/26/36/50/559263650.db2.gz WDDFTFHHYHFQGU-UHFFFAOYSA-N 0 0 404.470 3.137 50 0 biogenic HGAARN Cc1cc(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000011866966 559264397 /nfs/dbraw/zinc/26/43/97/559264397.db2.gz KDUJSSHYNJDDIY-GYCJOSAFSA-N 0 0 411.498 3.123 50 0 biogenic HGAARN CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCCCCC2)cc1 ZINC000011897756 559265456 /nfs/dbraw/zinc/26/54/56/559265456.db2.gz DMBZFIOOCHAEQT-NRFANRHFSA-N 0 0 405.564 3.319 50 0 HGAARN CCc1ccc(CN2CCc3c(C(=O)NCc4cn(C)nc4C)csc3C2)nc1 ZINC000426434157 559271409 /nfs/dbraw/zinc/27/14/09/559271409.db2.gz UMIKFJUXHDDBIC-UHFFFAOYSA-N 0 0 409.559 3.236 50 0 HGAARN O=C(c1c(O)cccc1O)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426489315 559271881 /nfs/dbraw/zinc/27/18/81/559271881.db2.gz DUTCYBJWIVLMAO-DEOSSOPVSA-N 0 0 408.498 3.185 50 0 HGAARN CCCc1nc2sc3c(ncnc3N(C[C@@H](C)O)C[C@@H](C)O)c2c2c1CCC2 ZINC000005164501 559275909 /nfs/dbraw/zinc/27/59/09/559275909.db2.gz OXIQFCWVIVQPRX-CHWSQXEVSA-N 0 0 400.548 3.249 50 0 HGAARN Cc1csc(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn32)n1 ZINC000005168049 559287118 /nfs/dbraw/zinc/28/71/18/559287118.db2.gz KVOZZFNUTNMKEW-UHFFFAOYSA-N 0 0 400.464 3.426 50 0 HGAARN O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000005178805 559289294 /nfs/dbraw/zinc/28/92/94/559289294.db2.gz ZDQMUPLIYNNDJK-INIZCTEOSA-N 0 0 411.882 3.074 50 0 HGAARN O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000005178796 559289311 /nfs/dbraw/zinc/28/93/11/559289311.db2.gz ZDQMUPLIYNNDJK-MRXNPFEDSA-N 0 0 411.882 3.074 50 0 HGAARN COc1ccc(N2C[C@H](NC(=O)Nc3cccc(Br)c3)CC2=O)cc1 ZINC000005191167 559291447 /nfs/dbraw/zinc/29/14/47/559291447.db2.gz LNSLZKAKOPTWOT-CQSZACIVSA-N 0 0 404.264 3.385 50 0 HGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1nc(-c2cccs2)ccc1=O)CC3 ZINC000061718161 559292839 /nfs/dbraw/zinc/29/28/39/559292839.db2.gz ZQOMSEBMDRXIMQ-UHFFFAOYSA-N 0 0 420.494 3.047 50 0 HGAARN CC(C)NC(=O)N(C)Cc1nc2cc(NC(=O)c3ccc(Cl)nc3)ccc2n1C ZINC000061718443 559293015 /nfs/dbraw/zinc/29/30/15/559293015.db2.gz ASDJBDVGVYDWFT-UHFFFAOYSA-N 0 0 414.897 3.424 50 0 HGAARN CC(=O)c1cccc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000061719310 559293612 /nfs/dbraw/zinc/29/36/12/559293612.db2.gz DSDACWSBZYIGPA-UHFFFAOYSA-N 0 0 414.893 3.013 50 0 HGAARN CC(C)Oc1ccc(F)cc1NC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000078936980 560541028 /nfs/dbraw/zinc/54/10/28/560541028.db2.gz LHFMNBDENNMISX-QGZVFWFLSA-N 0 0 407.486 3.248 50 0 HGAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(O)cc2)NC(=O)N1 ZINC000005232015 560547879 /nfs/dbraw/zinc/54/78/79/560547879.db2.gz PWQZALPCLMKMLH-MRXNPFEDSA-N 0 0 402.248 3.421 50 0 HGAARN CCS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccccc3s2)cc1 ZINC000005242523 560549642 /nfs/dbraw/zinc/54/96/42/560549642.db2.gz XRHCGESDMQVURE-UHFFFAOYSA-N 0 0 417.556 3.298 50 0 HGAARN COc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cc1 ZINC000005259407 560550993 /nfs/dbraw/zinc/55/09/93/560550993.db2.gz IXPUAJYISCGEJJ-UHFFFAOYSA-N 0 0 403.486 3.156 50 0 HGAARN O=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000005250702 560551348 /nfs/dbraw/zinc/55/13/48/560551348.db2.gz BZKYDEWJIONMKE-UHFFFAOYSA-N 0 0 400.909 3.071 50 0 HGAARN Cc1cn2c3c(nc2n1C1CCCC1)n(C)c(=O)n(Cc1cc(C)ccc1C)c3=O ZINC000005252171 560551630 /nfs/dbraw/zinc/55/16/30/560551630.db2.gz YOMPJQKUMWDHFA-UHFFFAOYSA-N 0 0 405.502 3.238 50 0 HGAARN CCCc1cc(=O)n(CC(=O)Nc2ccc(OCC)cc2)c(-n2nc(C)cc2C)n1 ZINC000005254720 560552121 /nfs/dbraw/zinc/55/21/21/560552121.db2.gz ZVTDYEDYXPDROQ-UHFFFAOYSA-N 0 0 409.490 3.036 50 0 HGAARN O=C(OCc1cn2ccccc2n1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000005254610 560552125 /nfs/dbraw/zinc/55/21/25/560552125.db2.gz RGUVMVFFDMRWTG-UHFFFAOYSA-N 0 0 401.378 3.081 50 0 HGAARN Cc1nc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)n(CC(C)C)c1C ZINC000005262901 560552955 /nfs/dbraw/zinc/55/29/55/560552955.db2.gz JTOYGLFXCRGGQN-UHFFFAOYSA-N 0 0 406.527 3.484 50 0 HGAARN Cn1c(Cc2ccccc2)nnc1SCc1nc(N)nc(Nc2ccccc2)n1 ZINC000005260321 560553759 /nfs/dbraw/zinc/55/37/59/560553759.db2.gz BIGNGYJPLRWKRM-UHFFFAOYSA-N 0 0 404.503 3.209 50 0 HGAARN CCOC(=O)NC(=O)COC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000005267073 560553915 /nfs/dbraw/zinc/55/39/15/560553915.db2.gz URXYQXNHJNZHKD-UHFFFAOYSA-N 0 0 413.455 3.285 50 0 HGAARN Cc1nn2c(-c3ccc(S(=O)(=O)N4CCCCCC4)o3)nnc2c2ccccc12 ZINC000005267181 560553978 /nfs/dbraw/zinc/55/39/78/560553978.db2.gz UUTSNTVCKNPXNU-UHFFFAOYSA-N 0 0 411.487 3.411 50 0 HGAARN C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCc1ccco1 ZINC000005267614 560554332 /nfs/dbraw/zinc/55/43/32/560554332.db2.gz WHSCLMZSQQDDEP-INIZCTEOSA-N 0 0 402.454 3.437 50 0 HGAARN CC(C)c1nc2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)ccc2n1C ZINC000206255251 560555518 /nfs/dbraw/zinc/55/55/18/560555518.db2.gz OICZKRNKGAHOCN-QGZVFWFLSA-N 0 0 419.485 3.166 50 0 HGAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O ZINC000005268916 560559858 /nfs/dbraw/zinc/55/98/58/560559858.db2.gz YISPURPGFRNGOH-UHFFFAOYSA-N 0 0 409.417 3.255 50 0 HGAARN C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 ZINC000005279301 560561860 /nfs/dbraw/zinc/56/18/60/560561860.db2.gz RKSRBHLTBUEDJN-XSXQVXRUSA-N 0 0 402.560 3.343 50 0 HGAARN CCOc1ccc(OCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000005287391 560562653 /nfs/dbraw/zinc/56/26/53/560562653.db2.gz JCTZVLZNURUVTB-UHFFFAOYSA-N 0 0 423.469 3.449 50 0 HGAARN Cc1nc2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)ccc2s1 ZINC000005298755 560563848 /nfs/dbraw/zinc/56/38/48/560563848.db2.gz LRJLRPHRXVQPAH-CQSZACIVSA-N 0 0 407.542 3.458 50 0 HGAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O ZINC000005320929 560564815 /nfs/dbraw/zinc/56/48/15/560564815.db2.gz GIUPEQOCDCPTMX-OAQYLSRUSA-N 0 0 416.861 3.477 50 0 HGAARN CC[C@H](C(=O)Nc1ccc(Br)cc1F)n1nnc2ccccc2c1=O ZINC000005324104 560564874 /nfs/dbraw/zinc/56/48/74/560564874.db2.gz GZAHLVBCKRXORB-OAHLLOKOSA-N 0 0 405.227 3.283 50 0 HGAARN COC(=O)CCCCCn1c(C)cc(C(=O)Cn2nnc(-c3ccccc3)n2)c1C ZINC000005325777 560565381 /nfs/dbraw/zinc/56/53/81/560565381.db2.gz NEMJWNFDNNAVCU-UHFFFAOYSA-N 0 0 409.490 3.375 50 0 HGAARN Cc1ccc(-c2cn(CC(=O)Nc3ccc(N(C)C)cc3)nc2N2CCOCC2)cc1 ZINC000062006885 560566079 /nfs/dbraw/zinc/56/60/79/560566079.db2.gz BGJUVPZHULUZCV-UHFFFAOYSA-N 0 0 419.529 3.400 50 0 HGAARN COc1ccc(-c2cn(CC(=O)N(C)c3cccc(C)c3)nc2N2CCOCC2)cc1 ZINC000062006922 560566132 /nfs/dbraw/zinc/56/61/32/560566132.db2.gz ATIIWMFOZFWZSO-UHFFFAOYSA-N 0 0 420.513 3.367 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccn2)cc1 ZINC000062017935 560567121 /nfs/dbraw/zinc/56/71/21/560567121.db2.gz UNFWKVGKIPREHS-UHFFFAOYSA-N 0 0 423.538 3.217 50 0 HGAARN O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 ZINC000062022934 560567532 /nfs/dbraw/zinc/56/75/32/560567532.db2.gz QLJBOZAOXJEDQN-CQSZACIVSA-N 0 0 422.514 3.203 50 0 HGAARN CCOc1ccc(CN(C(=O)c2ccccc2OCC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005350599 560568865 /nfs/dbraw/zinc/56/88/65/560568865.db2.gz JGZBONCJQBBJPH-GOSISDBHSA-N 0 0 417.527 3.314 50 0 HGAARN CC(C)c1ccc(OCc2nnc(SCC(=O)N3CCC(C)CC3)n2N)cc1 ZINC000005353068 560569246 /nfs/dbraw/zinc/56/92/46/560569246.db2.gz DLHCMWTYXQYGAA-UHFFFAOYSA-N 0 0 403.552 3.045 50 0 HGAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCCN1C(=O)c3ccccc3C1=O)CC2 ZINC000005354672 560569433 /nfs/dbraw/zinc/56/94/33/560569433.db2.gz VXCPAEYPXAPKCJ-OAHLLOKOSA-N 0 0 422.481 3.226 50 0 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Cc1cc(C)n(-c2ccc(NC(=O)N3CCN(CCOc4ccccc4)CC3)cn2)n1 ZINC000048278317 568435713 /nfs/dbraw/zinc/43/57/13/568435713.db2.gz SALZVPHHRPKYLS-UHFFFAOYSA-N 0 0 420.517 3.113 50 0 HGAARN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000048303319 568436085 /nfs/dbraw/zinc/43/60/85/568436085.db2.gz KQENXGTVCGVXAE-CQSZACIVSA-N 0 0 416.547 3.480 50 0 HGAARN COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)N(C)C)c1 ZINC000048325213 568438547 /nfs/dbraw/zinc/43/85/47/568438547.db2.gz NVPARFHGOXSQJB-OAHLLOKOSA-N 0 0 418.437 3.175 50 0 HGAARN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 ZINC000048340357 568440299 /nfs/dbraw/zinc/44/02/99/568440299.db2.gz UHKVOSVDFONYRF-UXHICEINSA-N 0 0 415.534 3.113 50 0 HGAARN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)CCN2C(=O)COc3ccccc32)c1 ZINC000048362615 568441605 /nfs/dbraw/zinc/44/16/05/568441605.db2.gz ONTUMJPXDPKIKI-INIZCTEOSA-N 0 0 409.486 3.103 50 0 HGAARN CSc1cccc(N2C[C@H](C(=O)NCc3ccccc3Cn3cccn3)CC2=O)c1 ZINC000024623734 568442250 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O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)Nc1ccc(F)cc1 ZINC000049008966 568445357 /nfs/dbraw/zinc/44/53/57/568445357.db2.gz YFWGIIOQZVAMOK-UHFFFAOYSA-N 0 0 401.467 3.094 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1F ZINC000049008635 568445358 /nfs/dbraw/zinc/44/53/58/568445358.db2.gz QMKOIBSBIDXGEP-UHFFFAOYSA-N 0 0 407.405 3.078 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](COCc3ccccc3)C2)cc1 ZINC000049031520 568445871 /nfs/dbraw/zinc/44/58/71/568445871.db2.gz CUWCSPKGXNMPRI-IBGZPJMESA-N 0 0 416.543 3.006 50 0 HGAARN CCCNC(=O)Cn1cc(C(=O)Nc2cc(C)cc(C)c2)c(=O)c2ccc(C)nc21 ZINC000049002180 568446007 /nfs/dbraw/zinc/44/60/07/568446007.db2.gz PHBMNYFFVYVSQZ-UHFFFAOYSA-N 0 0 406.486 3.100 50 0 HGAARN O=c1n(Cc2nc(-c3ccc(Cl)cc3)no2)nc2ccc(-c3ccccc3)nn21 ZINC000049399471 568447386 /nfs/dbraw/zinc/44/73/86/568447386.db2.gz AQQSPDVCOVIRAY-UHFFFAOYSA-N 0 0 404.817 3.310 50 0 HGAARN COCCNC(=O)C1CCN(c2cc(Sc3cc(C)ccc3C)ncn2)CC1 ZINC000049402019 568448004 /nfs/dbraw/zinc/44/80/04/568448004.db2.gz 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3.422 50 0 HGAARN CCCCn1cnc2c1c(=O)n(Cc1coc(-c3ccccc3)n1)c(=O)n2CCC ZINC000012520400 568841131 /nfs/dbraw/zinc/84/11/31/568841131.db2.gz GXUZXOCDPJSERW-UHFFFAOYSA-N 0 0 407.474 3.273 50 0 HGAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000012520578 568841248 /nfs/dbraw/zinc/84/12/48/568841248.db2.gz SHAYNSDCWNGPNO-UHFFFAOYSA-N 0 0 420.425 3.437 50 0 HGAARN CCOc1ccc(S(=O)(=O)NCc2ccccc2Cn2ccnc2)cc1OCC ZINC000012520782 568841433 /nfs/dbraw/zinc/84/14/33/568841433.db2.gz ODWKKNIVJRTMOP-UHFFFAOYSA-N 0 0 415.515 3.207 50 0 HGAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012521443 568841820 /nfs/dbraw/zinc/84/18/20/568841820.db2.gz XLQZUEPAGGTNPJ-HOTGVXAUSA-N 0 0 418.515 3.136 50 0 HGAARN Cc1cccc(Cl)c1NC(=O)Cn1c2ccsc2c(=O)n(CC(C)C)c1=O ZINC000057486099 568841967 /nfs/dbraw/zinc/84/19/67/568841967.db2.gz NPSKOVZCSKSMQE-UHFFFAOYSA-N 0 0 405.907 3.481 50 0 HGAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccccc1F ZINC000057487108 568842780 /nfs/dbraw/zinc/84/27/80/568842780.db2.gz MUPMVUWQZCKJMW-UHFFFAOYSA-N 0 0 420.400 3.389 50 0 HGAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012525932 568842849 /nfs/dbraw/zinc/84/28/49/568842849.db2.gz INXPVAWIXOVMLZ-IYBDPMFKSA-N 0 0 418.515 3.054 50 0 HGAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)cc1C ZINC000057489575 568843782 /nfs/dbraw/zinc/84/37/82/568843782.db2.gz BNZXDXKICTYNAK-UHFFFAOYSA-N 0 0 405.479 3.469 50 0 HGAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O ZINC000057490392 568843942 /nfs/dbraw/zinc/84/39/42/568843942.db2.gz LIJPAJYHFYIFHZ-CQSZACIVSA-N 0 0 415.490 3.144 50 0 HGAARN COc1cc([C@@H]2CC(=O)c3cnc(NC[C@H]4CCCO4)nc3C2)cc(OC)c1OC ZINC000002109966 568844539 /nfs/dbraw/zinc/84/45/39/568844539.db2.gz ASKJYRFEUKZQKF-DZGCQCFKSA-N 0 0 413.474 3.006 50 0 biogenic HGAARN COc1cc([C@@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc(OC)c1OC ZINC000002109969 568844612 /nfs/dbraw/zinc/84/46/12/568844612.db2.gz ASKJYRFEUKZQKF-ZFWWWQNUSA-N 0 0 413.474 3.006 50 0 biogenic HGAARN CSCC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1nc2ccccc2[nH]1 ZINC000012534947 568844914 /nfs/dbraw/zinc/84/49/14/568844914.db2.gz JRXRGIDAXMVORB-SFHVURJKSA-N 0 0 421.526 3.343 50 0 HGAARN CSc1ncc(C(=O)Nc2cccc(S(C)(=O)=O)c2)n1-c1ccc(F)cc1 ZINC000012535403 568845310 /nfs/dbraw/zinc/84/53/10/568845310.db2.gz ZVMKKNVZODPFCI-UHFFFAOYSA-N 0 0 405.476 3.389 50 0 HGAARN c1c(CN2CCN(c3nn4cc(-c5ccccc5)nc4s3)CC2)nc2ccccn12 ZINC000012535832 568845607 /nfs/dbraw/zinc/84/56/07/568845607.db2.gz MZLUHAGDMVQQFT-UHFFFAOYSA-N 0 0 415.526 3.428 50 0 HGAARN O=C(Nc1ccc(Cl)cc1F)[C@H](Cc1c[nH]cn1)N1C(=O)c2ccccc2C1=O ZINC000012537810 568846127 /nfs/dbraw/zinc/84/61/27/568846127.db2.gz FYZWPXZITBNRCS-KRWDZBQOSA-N 0 0 412.808 3.048 50 0 HGAARN COc1ccc(NC(=O)Cn2c(=O)cc(C)nc2Nc2cccc(F)c2)c(OC)c1 ZINC000057506099 568846656 /nfs/dbraw/zinc/84/66/56/568846656.db2.gz JWRUTJCZCUOYHA-UHFFFAOYSA-N 0 0 412.421 3.090 50 0 HGAARN CC(C)CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1Cl 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50 0 HGAARN Cc1ccn2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)nc2c1 ZINC000012550031 568852337 /nfs/dbraw/zinc/85/23/37/568852337.db2.gz ZTROJKGZZMNRTD-UHFFFAOYSA-N 0 0 401.264 3.082 50 0 HGAARN CCOc1ccc(OC[C@H](O)CSc2nncn2-c2ccccc2OC)cc1 ZINC000012550731 568853322 /nfs/dbraw/zinc/85/33/22/568853322.db2.gz XIOUJMGGRFIXJS-HNNXBMFYSA-N 0 0 401.488 3.207 50 0 HGAARN CS(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c1 ZINC000012551825 568853805 /nfs/dbraw/zinc/85/38/05/568853805.db2.gz QGINLVYEVGPSTI-UHFFFAOYSA-N 0 0 424.457 3.458 50 0 HGAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000057596359 568854634 /nfs/dbraw/zinc/85/46/34/568854634.db2.gz MXCXICKQBJZMGG-GFCCVEGCSA-N 0 0 412.317 3.181 50 0 HGAARN CSCC[C@H](CO)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000230214951 568855089 /nfs/dbraw/zinc/85/50/89/568855089.db2.gz RBTZUNGRDPANTC-OAHLLOKOSA-N 0 0 404.923 3.160 50 0 HGAARN O=C(c1ccccc1)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000029997484 568855140 /nfs/dbraw/zinc/85/51/40/568855140.db2.gz FXAKKUQESFTERI-UHFFFAOYSA-N 0 0 406.534 3.171 50 0 HGAARN CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2cccc(F)c2)OC(N2CCCCC2)=N1 ZINC000003103124 568855580 /nfs/dbraw/zinc/85/55/80/568855580.db2.gz PCBJPFNIFFZAKX-QGZVFWFLSA-N 0 0 401.360 3.266 50 0 HGAARN CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003125280 568857159 /nfs/dbraw/zinc/85/71/59/568857159.db2.gz OCDJRIIDIRPGTB-UHFFFAOYSA-N 0 0 410.395 3.084 50 0 HGAARN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000057703940 568858646 /nfs/dbraw/zinc/85/86/46/568858646.db2.gz GCDYBJVUQVYABO-INIZCTEOSA-N 0 0 417.517 3.153 50 0 HGAARN COc1cc(Cl)c(C)cc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000057750089 568859480 /nfs/dbraw/zinc/85/94/80/568859480.db2.gz SCKKDIAYFFALMA-UHFFFAOYSA-N 0 0 407.923 3.115 50 0 HGAARN COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C ZINC000003443486 568859716 /nfs/dbraw/zinc/85/97/16/568859716.db2.gz JTVWPMYUYBANRZ-UHFFFAOYSA-N 0 0 411.527 3.364 50 0 HGAARN Cc1cc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)no1 ZINC000003192405 568860764 /nfs/dbraw/zinc/86/07/64/568860764.db2.gz HVCNSPFFCDOXEV-IBGZPJMESA-N 0 0 411.483 3.046 50 0 HGAARN Cc1cc(=O)c(C(=O)Nc2ccc(Br)cn2)nn1-c1ccccc1F ZINC000057807606 568861443 /nfs/dbraw/zinc/86/14/43/568861443.db2.gz MHUFSKRPZKYFNT-UHFFFAOYSA-N 0 0 403.211 3.090 50 0 HGAARN COc1cc(Br)c(S(=O)(=O)N([C@@H](C)C2CC2)C2CC2)cc1OC ZINC000030337098 568861488 /nfs/dbraw/zinc/86/14/88/568861488.db2.gz YXNBVUPXPATXNF-JTQLQIEISA-N 0 0 404.326 3.418 50 0 HGAARN CN(CC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003541252 568861954 /nfs/dbraw/zinc/86/19/54/568861954.db2.gz YFCFNOUAZXGNAB-UHFFFAOYSA-N 0 0 410.257 3.231 50 0 HGAARN COc1cc(CCC(=O)OCC(=O)Nc2c(F)cccc2F)cc(OC)c1OC ZINC000003216999 568862830 /nfs/dbraw/zinc/86/28/30/568862830.db2.gz UWSIWWQNKNGQDI-UHFFFAOYSA-N 0 0 409.385 3.105 50 0 HGAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1 ZINC000003606811 568863853 /nfs/dbraw/zinc/86/38/53/568863853.db2.gz LFUVAOINXULJHG-UHFFFAOYSA-N 0 0 424.906 3.394 50 0 HGAARN COC(=O)c1ccc(CNC(=O)COC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000003224842 568863854 /nfs/dbraw/zinc/86/38/54/568863854.db2.gz ASLUHIRBZNDKMS-UHFFFAOYSA-N 0 0 407.422 3.108 50 0 HGAARN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000003598344 568863906 /nfs/dbraw/zinc/86/39/06/568863906.db2.gz VLQIXVUJCLVPFI-UHFFFAOYSA-N 0 0 408.907 3.063 50 0 HGAARN COC(=O)[C@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccccc2)=N1 ZINC000003616600 568864103 /nfs/dbraw/zinc/86/41/03/568864103.db2.gz YAZQFDQMFDOKKA-HNNXBMFYSA-N 0 0 414.181 3.385 50 0 HGAARN CC[C@@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 ZINC000003226763 568864352 /nfs/dbraw/zinc/86/43/52/568864352.db2.gz QCMJOVYBQNZMHO-LJQANCHMSA-N 0 0 407.470 3.160 50 0 HGAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000003234241 568865338 /nfs/dbraw/zinc/86/53/38/568865338.db2.gz OOXUWCYGMATEAJ-UHFFFAOYSA-N 0 0 415.401 3.288 50 0 HGAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1OC ZINC000003655689 568866787 /nfs/dbraw/zinc/86/67/87/568866787.db2.gz WUMXGGPYBFFORL-KRWDZBQOSA-N 0 0 421.434 3.412 50 0 HGAARN COc1ccccc1NC(=O)COC(=O)c1cccc(I)c1 ZINC000003244641 568866795 /nfs/dbraw/zinc/86/67/95/568866795.db2.gz QFBXGAIKWWBRND-UHFFFAOYSA-N 0 0 411.195 3.095 50 0 HGAARN O=C(NCc1ccccc1)C(=Cc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 ZINC000003244251 568866871 /nfs/dbraw/zinc/86/68/71/568866871.db2.gz QOIBHKHKYNKVDN-UHFFFAOYSA-N 0 0 414.461 3.432 50 0 HGAARN NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000015270600 568867018 /nfs/dbraw/zinc/86/70/18/568867018.db2.gz YGFVCDWVQGVJRN-UHFFFAOYSA-N 0 0 404.451 3.197 50 0 HGAARN CC(C)CCC[C@@H](C)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000019163846 568867394 /nfs/dbraw/zinc/86/73/94/568867394.db2.gz URFXPLFVPCQGEZ-MRXNPFEDSA-N 0 0 405.564 3.179 50 0 HGAARN CCOC(=O)C1=C2N3CCCCCC3=NN2C(=O)N[C@@]1(c1ccccc1)C(F)(F)F ZINC000003249264 568867553 /nfs/dbraw/zinc/86/75/53/568867553.db2.gz MXDGSMOCFGGJKN-LJQANCHMSA-N 0 0 422.407 3.447 50 0 HGAARN O=C(COC(=O)c1cccc(I)c1)NC1CCCCCC1 ZINC000003255162 568868355 /nfs/dbraw/zinc/86/83/55/568868355.db2.gz INXKGZIBIHIDDA-UHFFFAOYSA-N 0 0 401.244 3.287 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000012599230 568869482 /nfs/dbraw/zinc/86/94/82/568869482.db2.gz JBVQKDKVUSOXHH-OKILXGFUSA-N 0 0 408.907 3.390 50 0 HGAARN C[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-n2ccnc2)cc1 ZINC000012601186 568870045 /nfs/dbraw/zinc/87/00/45/568870045.db2.gz DMTYVRXLRCXNNP-SFHVURJKSA-N 0 0 415.497 3.466 50 0 HGAARN CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c1C ZINC000012602618 568870294 /nfs/dbraw/zinc/87/02/94/568870294.db2.gz PWMZSQVMPZQUBO-QFIPXVFZSA-N 0 0 407.426 3.230 50 0 HGAARN O=C(COc1cccc(Br)c1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000030538963 568870376 /nfs/dbraw/zinc/87/03/76/568870376.db2.gz MBRBGULNAAUWBW-LJQANCHMSA-N 0 0 419.319 3.018 50 0 HGAARN 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COCCNC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1CCCC2 ZINC000002323575 569375300 /nfs/dbraw/zinc/37/53/00/569375300.db2.gz FYUKVLVJCHTXFR-UHFFFAOYSA-N 0 0 402.516 3.329 50 0 HGAARN Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n1CCCO ZINC000002331058 569375751 /nfs/dbraw/zinc/37/57/51/569375751.db2.gz RVELOJPUYDFESJ-UHFFFAOYSA-N 0 0 416.890 3.035 50 0 HGAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)cc1 ZINC000002335194 569376046 /nfs/dbraw/zinc/37/60/46/569376046.db2.gz YJRUTGXBPHZKLH-UHFFFAOYSA-N 0 0 413.503 3.105 50 0 HGAARN COc1ccccc1N1CCN(CC2=CC(C)(C)N3C(=O)C(=O)c4cccc2c43)CC1 ZINC000253495562 569381860 /nfs/dbraw/zinc/38/18/60/569381860.db2.gz JHUQXJKEJUAWQZ-UHFFFAOYSA-N 0 0 417.509 3.222 50 0 HGAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2NC(=O)CN1CCOCC1 ZINC000253502132 569382255 /nfs/dbraw/zinc/38/22/55/569382255.db2.gz DMLFUNWWXDIAEI-DGVSVCMESA-N 0 0 418.622 3.207 50 0 biogenic HGAARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 ZINC000002370109 569388737 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569407294 /nfs/dbraw/zinc/40/72/94/569407294.db2.gz HUMLYDYRNOVMOH-KPKJPENVSA-N 0 0 424.497 3.276 50 0 HGAARN CCCCCN(C(=O)NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)S(C)(=O)=O ZINC000013014978 569407330 /nfs/dbraw/zinc/40/73/30/569407330.db2.gz FBXXZLGLCSEVER-ZIUDEIKKSA-N 0 0 413.584 3.462 50 0 HGAARN COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000013021389 569407386 /nfs/dbraw/zinc/40/73/86/569407386.db2.gz CRYCWEYASWPELR-UHFFFAOYSA-N 0 0 423.918 3.493 50 0 HGAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O ZINC000013040129 569407831 /nfs/dbraw/zinc/40/78/31/569407831.db2.gz IYZSGAOQQCUCOL-UHFFFAOYSA-N 0 0 420.513 3.383 50 0 HGAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000013041217 569408019 /nfs/dbraw/zinc/40/80/19/569408019.db2.gz QHHQPYIMBYWDBE-UHFFFAOYSA-N 0 0 406.914 3.265 50 0 HGAARN Cc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000013096066 569408855 /nfs/dbraw/zinc/40/88/55/569408855.db2.gz HIVYAPIJVMCCIY-UHFFFAOYSA-N 0 0 420.384 3.340 50 0 HGAARN C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000013296411 569410509 /nfs/dbraw/zinc/41/05/09/569410509.db2.gz YZMBRWTTZYSVOX-NSHDSACASA-N 0 0 416.482 3.060 50 0 HGAARN COc1ccc(-c2cc(C(=O)N3CCN(CCOc4ccc(C)cc4)CC3)[nH]n2)cc1 ZINC000013366610 569412267 /nfs/dbraw/zinc/41/22/67/569412267.db2.gz LRJXEWHKMTVDGG-UHFFFAOYSA-N 0 0 420.513 3.231 50 0 HGAARN COc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3nc(C)sc3n2)c1 ZINC000013367882 569412343 /nfs/dbraw/zinc/41/23/43/569412343.db2.gz AWPRBMVCFRVDJK-UHFFFAOYSA-N 0 0 422.466 3.299 50 0 HGAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1 ZINC000002457024 569412361 /nfs/dbraw/zinc/41/23/61/569412361.db2.gz RAJKRFNBQKIBAR-AWEZNQCLSA-N 0 0 424.548 3.138 50 0 HGAARN Cc1sc2ncnc(SCCC(=O)N3CCC(F)(F)[C@H](CO)C3)c2c1C ZINC000328596378 569416099 /nfs/dbraw/zinc/41/60/99/569416099.db2.gz LMTGOFVYZGCIBM-LBPRGKRZSA-N 0 0 401.504 3.266 50 0 HGAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3OC)C2)cc1OC ZINC000328600695 569416338 /nfs/dbraw/zinc/41/63/38/569416338.db2.gz YXPRVOHPTFTAFL-KRWDZBQOSA-N 0 0 414.458 3.427 50 0 HGAARN COCCOC(=O)Nc1cccc(NC(=O)NCCn2c(C)nc3ccccc32)c1 ZINC000078699021 569417553 /nfs/dbraw/zinc/41/75/53/569417553.db2.gz ZNXUYDOIKJBLMJ-UHFFFAOYSA-N 0 0 411.462 3.361 50 0 HGAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C[C@@H](C)O)c2)c1 ZINC000078869585 569420856 /nfs/dbraw/zinc/42/08/56/569420856.db2.gz MADAOQCEZKWKJE-NVXWUHKLSA-N 0 0 404.532 3.241 50 0 HGAARN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)CCc1cnn(C)c1 ZINC000078869538 569420915 /nfs/dbraw/zinc/42/09/15/569420915.db2.gz NWXUMNLFIOQFLJ-NHCUHLMSSA-N 0 0 412.534 3.391 50 0 HGAARN Cc1cc(C)cc(OCCC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000078870184 569421050 /nfs/dbraw/zinc/42/10/50/569421050.db2.gz PYHZJDCZYWZTFH-KRWDZBQOSA-N 0 0 417.531 3.145 50 0 HGAARN COC(=O)CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000078876330 569421151 /nfs/dbraw/zinc/42/11/51/569421151.db2.gz SBQYLDXQPVUIAS-UHFFFAOYSA-N 0 0 401.843 3.246 50 0 HGAARN CC(C)Oc1ccc(F)cc1NC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000078936974 569421906 /nfs/dbraw/zinc/42/19/06/569421906.db2.gz LHFMNBDENNMISX-KRWDZBQOSA-N 0 0 407.486 3.248 50 0 HGAARN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)Nc1nnc(C2CC2)s1 ZINC000078954145 569422090 /nfs/dbraw/zinc/42/20/90/569422090.db2.gz AWYALKQWMMIZDG-ZYHUDNBSSA-N 0 0 411.528 3.298 50 0 HGAARN Cc1occc1C(=O)OCC(COC(=O)c1ccoc1C)NC(=O)OC(C)(C)C ZINC000078989149 569423044 /nfs/dbraw/zinc/42/30/44/569423044.db2.gz YGMYPUVMGVWMCG-UHFFFAOYSA-N 0 0 407.419 3.397 50 0 HGAARN CCOc1ccc(NC(=O)[C@@H]2CC23CCOCC3)cc1S(=O)(=O)N1CCCCC1 ZINC000079000328 569423407 /nfs/dbraw/zinc/42/34/07/569423407.db2.gz KVNZFYGTLLQAJF-KRWDZBQOSA-N 0 0 422.547 3.015 50 0 HGAARN Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3C(=O)OC(C)(C)C)n2)cc1F ZINC000079016098 569423922 /nfs/dbraw/zinc/42/39/22/569423922.db2.gz IZNQCDFGPZDMMR-MRXNPFEDSA-N 0 0 403.454 3.449 50 0 HGAARN Cc1cccc(CN(CC(=O)NC(=O)NCc2cccs2)Cc2cccc(C)n2)n1 ZINC000079052068 569425738 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50 0 HGAARN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H](c3ccccc3)c3ccccn3)c(C)c12 ZINC000040086794 571157349 /nfs/dbraw/zinc/15/73/49/571157349.db2.gz BGBKLWWTBCXDTI-QFIPXVFZSA-N 0 0 415.497 3.112 50 0 HGAARN C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cn2)C[C@H](C)O1 ZINC000040087696 571158072 /nfs/dbraw/zinc/15/80/72/571158072.db2.gz MAQBOVNMWCNNPE-CALCHBBNSA-N 0 0 408.502 3.184 50 0 HGAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NCC(C)C)[C@H]2c2cccs2)cc1 ZINC000008923983 571159971 /nfs/dbraw/zinc/15/99/71/571159971.db2.gz JUPZNEXOXPFUMV-UTKZUKDTSA-N 0 0 414.527 3.466 50 0 HGAARN COc1cccc(C(=O)NC2CCN(C(=O)[C@@H]3Cc4ccc(C)cc4S3)CC2)c1 ZINC000040090963 571160926 /nfs/dbraw/zinc/16/09/26/571160926.db2.gz YFGOTWJKUMFJTP-NRFANRHFSA-N 0 0 410.539 3.441 50 0 HGAARN CC(C)[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)c2ccccc2C1=O ZINC000040090838 571160999 /nfs/dbraw/zinc/16/09/99/571160999.db2.gz UDGHIPXWFANIBV-HXUWFJFHSA-N 0 0 421.497 3.340 50 0 HGAARN CC(=O)c1ccccc1OCCN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000008936632 571164266 /nfs/dbraw/zinc/16/42/66/571164266.db2.gz ULBAVQPZNKDTCR-OAQYLSRUSA-N 0 0 418.396 3.337 50 0 HGAARN COc1cc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)c(C(=O)N(C)C)cc1OC ZINC000040105551 571166162 /nfs/dbraw/zinc/16/61/62/571166162.db2.gz CAPGQKBAJRYANA-OAHLLOKOSA-N 0 0 414.506 3.052 50 0 HGAARN COc1cc(CS(=O)(=O)[C@H](C)C(=O)N(C)c2ccccc2)ccc1OC(F)F ZINC000040106105 571166602 /nfs/dbraw/zinc/16/66/02/571166602.db2.gz RCOJCHYCSVDHMH-CYBMUJFWSA-N 0 0 413.442 3.263 50 0 HGAARN C[C@]1(c2cccc(NC(=O)c3ccc(COc4ccccc4)o3)c2)NC(=O)NC1=O ZINC000040110830 571169051 /nfs/dbraw/zinc/16/90/51/571169051.db2.gz RIWCVPIDUNTMIU-JOCHJYFZSA-N 0 0 405.410 3.166 50 0 HGAARN C[C@H](Cc1ccccc1Cl)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000040112012 571169953 /nfs/dbraw/zinc/16/99/53/571169953.db2.gz UBJUQZFKEQFWFY-DNVCBOLYSA-N 0 0 406.935 3.241 50 0 HGAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O ZINC000040116774 571174167 /nfs/dbraw/zinc/17/41/67/571174167.db2.gz GSJSJSWUMWTNQY-KPAZRMRSSA-N 0 0 411.424 3.167 50 0 HGAARN Cc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O ZINC000040116685 571174184 /nfs/dbraw/zinc/17/41/84/571174184.db2.gz HUXSLRXJWNVVAV-IBGZPJMESA-N 0 0 405.376 3.420 50 0 HGAARN COC(=O)C[C@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(C)cc1 ZINC000040119576 571175603 /nfs/dbraw/zinc/17/56/03/571175603.db2.gz VIRIOALZUFAICR-FQEVSTJZSA-N 0 0 407.470 3.342 50 0 HGAARN O=C(NCCc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000040120095 571176129 /nfs/dbraw/zinc/17/61/29/571176129.db2.gz OPXWLOQBRRUIEF-MRXNPFEDSA-N 0 0 412.964 3.304 50 0 HGAARN CC1(C)NC(=O)N(CCC(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1=O ZINC000040122622 571178523 /nfs/dbraw/zinc/17/85/23/571178523.db2.gz IHSZJYNOCVGBAX-MRXNPFEDSA-N 0 0 405.907 3.328 50 0 HGAARN COC[C@@H](C)n1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2ccccc2c1=O ZINC000040127253 571179057 /nfs/dbraw/zinc/17/90/57/571179057.db2.gz CMDUUTFLHTZKSB-CABCVRRESA-N 0 0 422.514 3.433 50 0 HGAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000040129760 571180835 /nfs/dbraw/zinc/18/08/35/571180835.db2.gz AMBCUCYSLBXSLF-UHFFFAOYSA-N 0 0 420.488 3.155 50 0 HGAARN COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1C ZINC000040129757 571180864 /nfs/dbraw/zinc/18/08/64/571180864.db2.gz BVQGEGHONNYFCE-UHFFFAOYSA-N 0 0 410.854 3.358 50 0 HGAARN Cc1nc2c(s1)c(-c1cccs1)nn(CC(=O)NCc1ccc(F)cc1)c2=O ZINC000008956015 571181885 /nfs/dbraw/zinc/18/18/85/571181885.db2.gz SYUMUYJWVYNOGZ-UHFFFAOYSA-N 0 0 414.487 3.345 50 0 HGAARN COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1 ZINC000040131406 571183877 /nfs/dbraw/zinc/18/38/77/571183877.db2.gz BKFQIDINDQHUPC-KBPBESRZSA-N 0 0 404.898 3.241 50 0 HGAARN CCN(Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1)C(C)=O ZINC000040133727 571186393 /nfs/dbraw/zinc/18/63/93/571186393.db2.gz JUSQATSEIDGTPC-KRWDZBQOSA-N 0 0 415.925 3.354 50 0 HGAARN CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)c1 ZINC000040133690 571186413 /nfs/dbraw/zinc/18/64/13/571186413.db2.gz KSFCWEHQZIEPDJ-OAHLLOKOSA-N 0 0 401.898 3.123 50 0 HGAARN CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000040134330 571187267 /nfs/dbraw/zinc/18/72/67/571187267.db2.gz ZGGIIZDIUFULGX-SJORKVTESA-N 0 0 405.539 3.363 50 0 HGAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000040134500 571187846 /nfs/dbraw/zinc/18/78/46/571187846.db2.gz PHPGIFAHLMTNCJ-UHFFFAOYSA-N 0 0 417.391 3.183 50 0 HGAARN Cc1cccc(NC(=O)CN2CCN(Cn3nc(C(C)(C)C)oc3=S)CC2)c1C ZINC000040139236 571189201 /nfs/dbraw/zinc/18/92/01/571189201.db2.gz QHZCNOUNKMGCFK-UHFFFAOYSA-N 0 0 417.579 3.334 50 0 HGAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC)c(C)c1 ZINC000008962384 571190043 /nfs/dbraw/zinc/19/00/43/571190043.db2.gz VUSKVPOJSAUCEI-UHFFFAOYSA-N 0 0 415.515 3.443 50 0 HGAARN Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)c1 ZINC000008968935 571194112 /nfs/dbraw/zinc/19/41/12/571194112.db2.gz QZCFABJOMMLXST-UHFFFAOYSA-N 0 0 405.487 3.088 50 0 HGAARN Cc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)c(O)c1 ZINC000040144730 571194739 /nfs/dbraw/zinc/19/47/39/571194739.db2.gz PBEQRAOOLKJMNF-HSZRJFAPSA-N 0 0 407.470 3.418 50 0 HGAARN COc1ccc(-c2csc(NC(=O)[C@H](C)NC(=O)C3CCCC3)n2)c(OC)c1 ZINC000040145023 571194972 /nfs/dbraw/zinc/19/49/72/571194972.db2.gz IWKVZUGGVZIUNY-LBPRGKRZSA-N 0 0 403.504 3.461 50 0 HGAARN O=C(Nc1cccc(Cn2cncn2)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000040146950 571196680 /nfs/dbraw/zinc/19/66/80/571196680.db2.gz XITJBGXUBXPKBV-GOSISDBHSA-N 0 0 423.904 3.471 50 0 HGAARN CN(CC(=O)N1CCC(c2nnc3ccccn32)CC1)c1nc2ccccc2s1 ZINC000040150367 571198851 /nfs/dbraw/zinc/19/88/51/571198851.db2.gz MFHCHSZQQUPZKS-UHFFFAOYSA-N 0 0 406.515 3.181 50 0 HGAARN CCN(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000008982163 571204688 /nfs/dbraw/zinc/20/46/88/571204688.db2.gz GTVSYZOCBMHLAP-GOSISDBHSA-N 0 0 424.950 3.473 50 0 HGAARN Cc1nn(CN2CCC(c3nnc4n3CCC4)CC2)c(=S)n1Cc1ccccc1 ZINC000040158173 571204766 /nfs/dbraw/zinc/20/47/66/571204766.db2.gz DRCLQSXAUKVJOL-UHFFFAOYSA-N 0 0 409.563 3.146 50 0 HGAARN Cc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1NC(=O)N(C)C[C@@H]1CCCO1 ZINC000040158472 571204983 /nfs/dbraw/zinc/20/49/83/571204983.db2.gz GZOQIBZNEDREDH-ROUUACIJSA-N 0 0 404.511 3.280 50 0 HGAARN Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1ccco1)N1CCSCC1 ZINC000244950789 571210660 /nfs/dbraw/zinc/21/06/60/571210660.db2.gz FLSMQLKXKGXIEE-OAHLLOKOSA-N 0 0 400.953 3.310 50 0 HGAARN CC1(C)Cc2cccc(OCC(=O)NC[C@](O)(c3ccsc3)c3ccco3)c2O1 ZINC000244975160 571211383 /nfs/dbraw/zinc/21/13/83/571211383.db2.gz IEIGHBNVIFOJOD-QFIPXVFZSA-N 0 0 413.495 3.486 50 0 HGAARN O=C(c1ccc(OC2CCOCC2)nc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000244983908 571211762 /nfs/dbraw/zinc/21/17/62/571211762.db2.gz IXDLIEBBAMJIGR-UHFFFAOYSA-N 0 0 422.481 3.280 50 0 HGAARN CC1(C)O[C@H]2[C@H](O1)O[C@H](C(=O)Oc1cccc3ccccc31)[C@@H]1OC(C)(C)O[C@H]21 ZINC000245026715 571212153 /nfs/dbraw/zinc/21/21/53/571212153.db2.gz NHZBMHKKEJZBSF-QTVCLEQKSA-N 0 0 400.427 3.142 50 0 biogenic HGAARN CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(Cl)c3)CC2=O)cc1 ZINC000009036142 571213581 /nfs/dbraw/zinc/21/35/81/571213581.db2.gz JWDWLKCBLMKALI-CQSZACIVSA-N 0 0 408.907 3.070 50 0 HGAARN CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 ZINC000009039538 571214718 /nfs/dbraw/zinc/21/47/18/571214718.db2.gz ULGYXJRRBOGYCG-HNNXBMFYSA-N 0 0 413.474 3.277 50 0 HGAARN COc1ccc(C(=O)NCc2nnc3c(C(F)(F)F)cc(Cl)cn23)cc1OC ZINC000009041956 571214988 /nfs/dbraw/zinc/21/49/88/571214988.db2.gz NQCNWPPDWRGPHN-UHFFFAOYSA-N 0 0 414.771 3.349 50 0 HGAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cc3c(s2)CCC3)n1 ZINC000009069952 571218234 /nfs/dbraw/zinc/21/82/34/571218234.db2.gz FLGXAISZMUNGDT-UHFFFAOYSA-N 0 0 413.455 3.167 50 0 HGAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc(Cl)cc1 ZINC000009087073 571219670 /nfs/dbraw/zinc/21/96/70/571219670.db2.gz UIGDEZOOJGQVNV-MRXNPFEDSA-N 0 0 415.730 3.428 50 0 HGAARN C[C@@H]1CCC[C@H](n2c(SCc3nc(N)nc(N)n3)nc3ccccc3c2=O)[C@H]1C ZINC000245263860 571221653 /nfs/dbraw/zinc/22/16/53/571221653.db2.gz BGYZKAIYYUALGU-XUJVJEKNSA-N 0 0 411.535 3.035 50 0 HGAARN C[C@H](CC(=O)NCc1cccs1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009152873 571231127 /nfs/dbraw/zinc/23/11/27/571231127.db2.gz QVADQYVCBCQGAM-VXGBXAGGSA-N 0 0 424.569 3.050 50 0 HGAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000009165830 571232459 /nfs/dbraw/zinc/23/24/59/571232459.db2.gz LGYQCCDTZLRZFU-LJQANCHMSA-N 0 0 423.803 3.347 50 0 HGAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009169938 571233457 /nfs/dbraw/zinc/23/34/57/571233457.db2.gz SBXUDKQQGWTBTK-UHFFFAOYSA-N 0 0 404.488 3.186 50 0 HGAARN CCN1c2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc2OCC(C)(C)C1=O ZINC000009170612 571233688 /nfs/dbraw/zinc/23/36/88/571233688.db2.gz VZUNHNDSKZBSIK-UHFFFAOYSA-N 0 0 422.478 3.407 50 0 HGAARN O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccco1 ZINC000009195188 571235938 /nfs/dbraw/zinc/23/59/38/571235938.db2.gz CNXBOEQMCFMKJY-UHFFFAOYSA-N 0 0 415.862 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Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2cccc(Cl)c2)n1 ZINC000054274400 558867224 /nfs/dbraw/zinc/86/72/24/558867224.db2.gz PTIMWSNDPVCULG-UHFFFAOYSA-N 0 0 413.888 3.312 50 0 HGAARN COc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)c1 ZINC000033077442 558868617 /nfs/dbraw/zinc/86/86/17/558868617.db2.gz RRFZXOGSHRRIGJ-UHFFFAOYSA-N 0 0 414.527 3.253 50 0 HGAARN COCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000004653797 558869351 /nfs/dbraw/zinc/86/93/51/558869351.db2.gz WWJPFCJOWQNFPD-ZDUSSCGKSA-N 0 0 417.458 3.065 50 0 HGAARN CCC(=O)[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC)n2CCc2ccccc2)C1 ZINC000055035852 558870233 /nfs/dbraw/zinc/87/02/33/558870233.db2.gz WDBPKLHUIFWRBC-LJQANCHMSA-N 0 0 417.575 3.111 50 0 HGAARN COc1ccccc1CNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088665 558871744 /nfs/dbraw/zinc/87/17/44/558871744.db2.gz WOYGDFNPKYCXKV-UHFFFAOYSA-N 0 0 408.479 3.431 50 0 HGAARN CCn1c2ccccc2nc1N1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000033106625 558874213 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/nfs/dbraw/zinc/89/22/96/558892296.db2.gz CFAWVQVDWPHVQP-UHFFFAOYSA-N 0 0 402.520 3.288 50 0 HGAARN COc1ccc(CNC(=O)c2nnn(-c3ccccc3)c2-c2ccncc2)c(OC)c1 ZINC000033140321 558892428 /nfs/dbraw/zinc/89/24/28/558892428.db2.gz FQOWPGASEJBAEV-UHFFFAOYSA-N 0 0 415.453 3.277 50 0 HGAARN CN(CCCC(=O)Nc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000058004063 558894020 /nfs/dbraw/zinc/89/40/20/558894020.db2.gz OBEPKJIRSNURJH-UHFFFAOYSA-N 0 0 416.478 3.051 50 0 HGAARN CCCNC(=O)[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000011152373 558896643 /nfs/dbraw/zinc/89/66/43/558896643.db2.gz WHHLHPIVEXHHOP-CQSZACIVSA-N 0 0 419.551 3.166 50 0 HGAARN COC(=O)c1c(C)nn2c1ncc1c2ccn(-c2cc(Cl)ccc2Cl)c1=O ZINC000071375575 558896948 /nfs/dbraw/zinc/89/69/48/558896948.db2.gz IFDWUMSTRWDGIP-UHFFFAOYSA-N 0 0 403.225 3.435 50 0 HGAARN CC(C)NC(=O)CNC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000071315556 558896952 /nfs/dbraw/zinc/89/69/52/558896952.db2.gz OCNLHVQBAKDEJS-UHFFFAOYSA-N 0 0 410.421 3.336 50 0 HGAARN CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000004689008 558899213 /nfs/dbraw/zinc/89/92/13/558899213.db2.gz JHHHPMLWEMWZEP-UHFFFAOYSA-N 0 0 416.543 3.335 50 0 HGAARN CC1CCN(C(=O)[C@@H](C(=O)c2ccc(Br)cc2)n2ccccc2=O)CC1 ZINC000004689630 558899343 /nfs/dbraw/zinc/89/93/43/558899343.db2.gz DKVLCBZJUQRZGJ-GOSISDBHSA-N 0 0 417.303 3.293 50 0 HGAARN O=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000058119559 558899940 /nfs/dbraw/zinc/89/99/40/558899940.db2.gz JETUIFXVMNVDIE-QFIPXVFZSA-N 0 0 420.513 3.236 50 0 HGAARN COc1cccc(CNC(=O)c2nsc(C(=O)NCc3ccc(C)c(C)c3)c2N)c1 ZINC000033171937 558900823 /nfs/dbraw/zinc/90/08/23/558900823.db2.gz GLFKWTGOWAQKGR-UHFFFAOYSA-N 0 0 424.526 3.211 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1S(=O)(=O)N1CCCCC1 ZINC000058134845 558900872 /nfs/dbraw/zinc/90/08/72/558900872.db2.gz WGIJORUTGCISHH-QZTJIDSGSA-N 0 0 415.515 3.007 50 0 HGAARN CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000058145645 558901797 /nfs/dbraw/zinc/90/17/97/558901797.db2.gz UZHCQUOUXMXCFB-MRXNPFEDSA-N 0 0 412.433 3.401 50 0 HGAARN CN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000058156388 558902972 /nfs/dbraw/zinc/90/29/72/558902972.db2.gz NRDCSMRVBYVPDS-AUSIDOKSSA-N 0 0 424.545 3.313 50 0 HGAARN CC(C)CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1 ZINC000033169908 558903238 /nfs/dbraw/zinc/90/32/38/558903238.db2.gz QPMQQHALOLAAHS-NSHDSACASA-N 0 0 412.368 3.473 50 0 HGAARN C[C@@H](C(=O)Nc1cccc(OCc2ccccn2)c1)N1C(=O)c2ccccc2C1=O ZINC000033181661 558905185 /nfs/dbraw/zinc/90/51/85/558905185.db2.gz QCEPHOGRCQEBMF-HNNXBMFYSA-N 0 0 401.422 3.284 50 0 HGAARN O=C1Nc2ccc(Br)cc2[C@]12Nc1sc3c(c1C(=O)N2)CCCC3 ZINC000004694724 558905563 /nfs/dbraw/zinc/90/55/63/558905563.db2.gz OSYSDHWPPCJXSS-KRWDZBQOSA-N 0 0 404.289 3.350 50 0 HGAARN COc1ccc([C@H]2CCCCCN2Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1 ZINC000058175436 558909134 /nfs/dbraw/zinc/90/91/34/558909134.db2.gz CHRLHRWTHGZMKV-OAQYLSRUSA-N 0 0 420.513 3.008 50 0 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COc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000049408286 568449388 /nfs/dbraw/zinc/44/93/88/568449388.db2.gz DAUSYPQOQBWDGZ-UHFFFAOYSA-N 0 0 412.446 3.273 50 0 HGAARN Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)N(C)c4ccccc4)c(=O)n32)c1 ZINC000049410661 568449914 /nfs/dbraw/zinc/44/99/14/568449914.db2.gz CYRXYOWBIFLBIS-UHFFFAOYSA-N 0 0 416.485 3.223 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3cccc(F)c3)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 ZINC000049410729 568450067 /nfs/dbraw/zinc/45/00/67/568450067.db2.gz MVCXIQLWTAMVNW-UHFFFAOYSA-N 0 0 424.411 3.168 50 0 HGAARN CCCS(=O)(=O)N1CCC(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000049461993 568450799 /nfs/dbraw/zinc/45/07/99/568450799.db2.gz CNZYEYLJGMFBTC-UHFFFAOYSA-N 0 0 415.511 3.275 50 0 HGAARN O=C(COc1coc(CN2CCCCC2)cc1=O)N1CCC(Cc2ccccc2)CC1 ZINC000049549889 568451835 /nfs/dbraw/zinc/45/18/35/568451835.db2.gz KNMSIPFTUAFLCV-UHFFFAOYSA-N 0 0 424.541 3.486 50 0 HGAARN COc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)nc(C)n3)CC2)cc1OC ZINC000049597425 568452585 /nfs/dbraw/zinc/45/25/85/568452585.db2.gz LFZYLLMWCHPWQQ-UHFFFAOYSA-N 0 0 418.497 3.432 50 0 HGAARN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1 ZINC000005075427 568453648 /nfs/dbraw/zinc/45/36/48/568453648.db2.gz RTFVULFOKSGVDX-UHFFFAOYSA-N 0 0 402.497 3.181 50 0 HGAARN Cc1nc2c(s1)c(-c1ccccc1)nnc2SCC(=O)NC[C@@H]1CCCO1 ZINC000012232801 568454398 /nfs/dbraw/zinc/45/43/98/568454398.db2.gz HOFQSDQAZRPZFR-AWEZNQCLSA-N 0 0 400.529 3.449 50 0 HGAARN CCOc1ccc(N2C[C@@H](NC(=O)c3cccc(Br)c3)CC2=O)cc1 ZINC000005195883 568455359 /nfs/dbraw/zinc/45/53/59/568455359.db2.gz PTMFKUHLBTVSEK-HNNXBMFYSA-N 0 0 403.276 3.383 50 0 HGAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000024646774 568455477 /nfs/dbraw/zinc/45/54/77/568455477.db2.gz ROTIVPGIRIVMFE-INIZCTEOSA-N 0 0 419.934 3.493 50 0 HGAARN Cc1nc(-c2ccc(CCNC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)cs1 ZINC000024658336 568455998 /nfs/dbraw/zinc/45/59/98/568455998.db2.gz POWVBTCUXMRGAS-UHFFFAOYSA-N 0 0 415.540 3.463 50 0 HGAARN CCOC(=O)Cc1csc(NC(=O)c2cnn(-c3ccc(F)cc3)c2CC)n1 ZINC000024684951 568456682 /nfs/dbraw/zinc/45/66/82/568456682.db2.gz QZRPFRFPRHCWTP-UHFFFAOYSA-N 0 0 402.451 3.388 50 0 HGAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccccc2OC)c1 ZINC000020761080 568457975 /nfs/dbraw/zinc/45/79/75/568457975.db2.gz JYFUZLNSYALOBA-HXUWFJFHSA-N 0 0 406.442 3.385 50 0 biogenic HGAARN COc1ccc(CN(C)[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c(OC)c1OC ZINC000024716621 568458132 /nfs/dbraw/zinc/45/81/32/568458132.db2.gz CVEJMNAKQAXVHD-AWEZNQCLSA-N 0 0 424.505 3.416 50 0 HGAARN COc1ccc(OC)c([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccncc2)c1 ZINC000000669391 568460444 /nfs/dbraw/zinc/46/04/44/568460444.db2.gz PJQDROJQBUILST-FQEVSTJZSA-N 0 0 404.426 3.010 50 0 HGAARN Cc1ccc(-c2noc(-c3nnn(CC(=O)Nc4ccc(Cl)cc4)c3N)n2)cc1 ZINC000006939185 568464892 /nfs/dbraw/zinc/46/48/92/568464892.db2.gz IIBJREZXENKRJW-UHFFFAOYSA-N 0 0 409.837 3.178 50 0 HGAARN Cc1ccc2c(c1)CN(CC(=O)NCc1cnn(Cc3ccccc3)c1)C[C@H](C)O2 ZINC000014952076 568470792 /nfs/dbraw/zinc/47/07/92/568470792.db2.gz ICIADFNHUOSASX-IBGZPJMESA-N 0 0 404.514 3.139 50 0 HGAARN COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc(-c3ccccc3)cn2N)c1 ZINC000007154387 568472625 /nfs/dbraw/zinc/47/26/25/568472625.db2.gz SGOHVYVZWNHKFR-AWEZNQCLSA-N 0 0 412.515 3.251 50 0 HGAARN CCc1c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(F)cc1 ZINC000024877296 568474170 /nfs/dbraw/zinc/47/41/70/568474170.db2.gz BGOPAXDNDRRKJP-UHFFFAOYSA-N 0 0 402.451 3.198 50 0 HGAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccc(F)cc2)cc1 ZINC000000780813 568474706 /nfs/dbraw/zinc/47/47/06/568474706.db2.gz SNUNALWOMZDAEY-UHFFFAOYSA-N 0 0 404.507 3.338 50 0 HGAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc3n2CCCCC3)c1 ZINC000007280547 568478470 /nfs/dbraw/zinc/47/84/70/568478470.db2.gz QZLMUILCRBWIHL-KRWDZBQOSA-N 0 0 416.547 3.478 50 0 HGAARN COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000000800851 568483991 /nfs/dbraw/zinc/48/39/91/568483991.db2.gz AQUXHUQYEVTGIO-LJQANCHMSA-N 0 0 422.528 3.099 50 0 HGAARN CN1c2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2N(C)S1(=O)=O ZINC000390827386 568490002 /nfs/dbraw/zinc/49/00/02/568490002.db2.gz XHECJUCBONNFBB-UHFFFAOYSA-N 0 0 407.879 3.072 50 0 HGAARN CSCC[C@H](NC(=O)COc1ccccc1-n1cnnc1)c1nc2ccccc2[nH]1 ZINC000604418495 568492995 /nfs/dbraw/zinc/49/29/95/568492995.db2.gz DMSOVFFFCBPZRX-KRWDZBQOSA-N 0 0 422.514 3.133 50 0 HGAARN COC(=O)C[C@@H](c1cccc(Cl)c1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604419404 568493153 /nfs/dbraw/zinc/49/31/53/568493153.db2.gz LUNCVIQUTVUTPH-KRWDZBQOSA-N 0 0 415.877 3.177 50 0 HGAARN Cc1c(Cl)c(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)nc2ccccc12 ZINC000008225117 568494442 /nfs/dbraw/zinc/49/44/42/568494442.db2.gz MZTICBYWVWIOGH-UHFFFAOYSA-N 0 0 417.918 3.191 50 0 HGAARN COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000812338 568494888 /nfs/dbraw/zinc/49/48/88/568494888.db2.gz LHSNOQJHORESJZ-UHFFFAOYSA-N 0 0 420.506 3.288 50 0 HGAARN COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc2c1OCCO2 ZINC000008349797 568498071 /nfs/dbraw/zinc/49/80/71/568498071.db2.gz BPWYCXORGFQRAU-UFNQUYMESA-N 0 0 420.469 3.280 50 0 HGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CN(C)Cc1ccc(F)cc1F ZINC000024960862 568501224 /nfs/dbraw/zinc/50/12/24/568501224.db2.gz IOXUEJVPEZYVFV-UHFFFAOYSA-N 0 0 422.501 3.394 50 0 HGAARN CCN(C(=O)CN1CCN(Cc2c(C)cc(C)cc2C)S1(=O)=O)c1ccccc1 ZINC000033045400 568510818 /nfs/dbraw/zinc/51/08/18/568510818.db2.gz GCRVXUNPOAUGOP-UHFFFAOYSA-N 0 0 415.559 3.027 50 0 HGAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCCCc1ccccc1 ZINC000033124612 568511239 /nfs/dbraw/zinc/51/12/39/568511239.db2.gz XJUZYHMOOLYEPB-HXUWFJFHSA-N 0 0 409.461 3.278 50 0 HGAARN CCc1ccc(NC(=O)CSc2nnc3c4sc(N(C)C)nc4ncn23)cc1 ZINC000033300865 568513298 /nfs/dbraw/zinc/51/32/98/568513298.db2.gz UGAPBQVYLYHSSV-UHFFFAOYSA-N 0 0 413.532 3.093 50 0 HGAARN Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c2ccccc2)cc1 ZINC000222057798 568513923 /nfs/dbraw/zinc/51/39/23/568513923.db2.gz DTNOJFNBTQNVPA-CNNODRBYSA-N 0 0 402.560 3.107 50 0 HGAARN COc1cc(Br)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000033322044 568513952 /nfs/dbraw/zinc/51/39/52/568513952.db2.gz GXMFKOBCZREGGB-PXNMLYILSA-N 0 0 417.284 3.237 50 0 HGAARN CSCC[C@@H](NC(=O)c1ccc(Nc2ncccn2)cc1)c1nnc2ccccn21 ZINC000223225892 568541603 /nfs/dbraw/zinc/54/16/03/568541603.db2.gz SBFUGVIRSWATLU-QGZVFWFLSA-N 0 0 419.514 3.487 50 0 HGAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000020017071 568586277 /nfs/dbraw/zinc/58/62/77/568586277.db2.gz CHCJWKJGCYMNGL-SECBINFHSA-N 0 0 418.359 3.334 50 0 HGAARN CCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OCC ZINC000020069185 568587245 /nfs/dbraw/zinc/58/72/45/568587245.db2.gz JUTSCOCMTMIUNI-OAHLLOKOSA-N 0 0 422.283 3.076 50 0 HGAARN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(C(=O)c2ccco2)CC1 ZINC000020112563 568588687 /nfs/dbraw/zinc/58/86/87/568588687.db2.gz UFAAOAUAAMIQQW-ZUXGEGRZSA-N 0 0 412.530 3.496 50 0 biogenic HGAARN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 ZINC000020112920 568589263 /nfs/dbraw/zinc/58/92/63/568589263.db2.gz MQSZZIBOTGMDJA-SGCRDVRDSA-N 0 0 412.530 3.352 50 0 biogenic HGAARN CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N(C)Cc2cccs2)c1=O ZINC000014981863 568589606 /nfs/dbraw/zinc/58/96/06/568589606.db2.gz FTRXLYAPNYXISU-UHFFFAOYSA-N 0 0 423.538 3.174 50 0 HGAARN COc1ccc(CNC(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1OC ZINC000390827156 568591446 /nfs/dbraw/zinc/59/14/46/568591446.db2.gz FGASGEGEAOGEGE-HXUWFJFHSA-N 0 0 402.472 3.094 50 0 HGAARN CCOC(=O)C1=C(CN2CC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214277 568594664 /nfs/dbraw/zinc/59/46/64/568594664.db2.gz WCLXLKQTPFXVDL-PGRDOPGGSA-N 0 0 423.488 3.486 50 0 HGAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CC2)cc1 ZINC000020324186 568599115 /nfs/dbraw/zinc/59/91/15/568599115.db2.gz CQITWTOESOAYFV-IBGZPJMESA-N 0 0 421.453 3.110 50 0 HGAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000020355089 568599652 /nfs/dbraw/zinc/59/96/52/568599652.db2.gz XNKZMYHTUIRQMQ-UHFFFAOYSA-N 0 0 411.571 3.251 50 0 HGAARN COc1ccc(CN2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1OC ZINC000095347363 568599860 /nfs/dbraw/zinc/59/98/60/568599860.db2.gz TUWNTWNPAAKTGJ-XMMPIXPASA-N 0 0 423.557 3.185 50 0 HGAARN Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)ccc1N(C)C ZINC000095365159 568601995 /nfs/dbraw/zinc/60/19/95/568601995.db2.gz RXGNPVVCDPMFHL-UHFFFAOYSA-N 0 0 404.308 3.421 50 0 HGAARN NS(=O)(=O)c1cc(C(=O)NCC2CCCCCCC2)sc1Br ZINC000095385767 568603816 /nfs/dbraw/zinc/60/38/16/568603816.db2.gz PTBQGZVKENAYNT-UHFFFAOYSA-N 0 0 409.371 3.248 50 0 HGAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000020416110 568606165 /nfs/dbraw/zinc/60/61/65/568606165.db2.gz UQDBEKSPNJJLOK-RTBURBONSA-N 0 0 419.529 3.430 50 0 HGAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)c2ccc(OC)cc2)cc1 ZINC000095428018 568608282 /nfs/dbraw/zinc/60/82/82/568608282.db2.gz URTOVRHQHOPEIO-LJQANCHMSA-N 0 0 416.499 3.080 50 0 HGAARN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000095427900 568608360 /nfs/dbraw/zinc/60/83/60/568608360.db2.gz NPNVOCBOLJXQJB-INIZCTEOSA-N 0 0 411.543 3.149 50 0 HGAARN Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[NH+](C)C)cc1 ZINC000095431116 568609125 /nfs/dbraw/zinc/60/91/25/568609125.db2.gz NEJYIXPEJSZHDY-NSHDSACASA-N 0 0 408.392 3.272 50 0 HGAARN CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccnc2)no1 ZINC000095435034 568609572 /nfs/dbraw/zinc/60/95/72/568609572.db2.gz UENROOJIKAPGEX-UHFFFAOYSA-N 0 0 420.878 3.150 50 0 HGAARN Cc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)c(Br)c1 ZINC000020467611 568610604 /nfs/dbraw/zinc/61/06/04/568610604.db2.gz RLOKMBRJTZKHJL-UHFFFAOYSA-N 0 0 421.114 3.298 50 0 HGAARN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1nc(-c2cccnc2)cs1 ZINC000095442634 568611004 /nfs/dbraw/zinc/61/10/04/568611004.db2.gz LFOVEVSZUCPOQO-MRXNPFEDSA-N 0 0 407.499 3.375 50 0 HGAARN O=C(CNC(=O)c1ccnc(OC2CCC2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000095444741 568611568 /nfs/dbraw/zinc/61/15/68/568611568.db2.gz WXRIIJUBYYQLBO-UHFFFAOYSA-N 0 0 407.514 3.224 50 0 HGAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCOCC(F)(F)F)c1 ZINC000040070005 568611714 /nfs/dbraw/zinc/61/17/14/568611714.db2.gz YBOQIPFGSQIGJI-UHFFFAOYSA-N 0 0 416.421 3.419 50 0 HGAARN Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)c1 ZINC000020485958 568613283 /nfs/dbraw/zinc/61/32/83/568613283.db2.gz GIRFXFLAVCJUNV-JOCHJYFZSA-N 0 0 400.482 3.249 50 0 HGAARN COc1cc(CCNC(=O)CCc2cc3ccccc3[nH]c2=O)ccc1OC(F)F ZINC000095453248 568615644 /nfs/dbraw/zinc/61/56/44/568615644.db2.gz CGJIQFZZPWOQND-UHFFFAOYSA-N 0 0 416.424 3.430 50 0 HGAARN Cn1cc(N2CCN(CCSc3ccnc4cc(Cl)ccc43)CC2=O)cn1 ZINC000095454779 568616318 /nfs/dbraw/zinc/61/63/18/568616318.db2.gz BNOSDNSHCUMGKF-UHFFFAOYSA-N 0 0 401.923 3.063 50 0 HGAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000095455870 568616968 /nfs/dbraw/zinc/61/69/68/568616968.db2.gz LCIMDQYPDFANBO-ONZSLIJNSA-N 0 0 414.521 3.183 50 0 HGAARN CC(C)C[C@H](NC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)Nc1nccs1 ZINC000095456296 568617779 /nfs/dbraw/zinc/61/77/79/568617779.db2.gz VMYUASOMFYOXBP-SFHVURJKSA-N 0 0 424.526 3.196 50 0 HGAARN Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)c2)n1 ZINC000095456361 568617789 /nfs/dbraw/zinc/61/77/89/568617789.db2.gz MKJHOFXIXBPXPP-NRFANRHFSA-N 0 0 402.498 3.363 50 0 HGAARN Cc1ccc(-n2nc(C(=O)NC3CCN(C(=O)NC(C)(C)C)CC3)c3c2CCC3)cc1 ZINC000095456485 568617811 /nfs/dbraw/zinc/61/78/11/568617811.db2.gz ROIBXYWBQOGEQB-UHFFFAOYSA-N 0 0 423.561 3.372 50 0 HGAARN O=C(c1ccc(Br)cc1F)N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000095458862 568619267 /nfs/dbraw/zinc/61/92/67/568619267.db2.gz SIYAEUKAKYBYMI-OAHLLOKOSA-N 0 0 409.299 3.453 50 0 HGAARN CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)cc1 ZINC000040145163 568624698 /nfs/dbraw/zinc/62/46/98/568624698.db2.gz PWTSEWKNULAMGY-KRWDZBQOSA-N 0 0 418.559 3.251 50 0 HGAARN COC(=O)[C@@H]1CCCCN1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000095469864 568625997 /nfs/dbraw/zinc/62/59/97/568625997.db2.gz CUMQWWKJNZOUFO-FQEVSTJZSA-N 0 0 410.518 3.496 50 0 HGAARN COc1ccccc1N1CCN(C(=O)Cc2c(C)[nH]nc2-c2ccc(F)cc2)CC1 ZINC000095472532 568627922 /nfs/dbraw/zinc/62/79/22/568627922.db2.gz FMMBJPMTBFIJOJ-UHFFFAOYSA-N 0 0 408.477 3.424 50 0 HGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cc(F)c(F)c(F)c1)C=C2 ZINC000095474289 568629368 /nfs/dbraw/zinc/62/93/68/568629368.db2.gz RGGTZHQVKBMAPJ-UHFFFAOYSA-N 0 0 406.360 3.115 50 0 HGAARN O=C(CCCNc1ncccn1)NCCn1ccc2cc(Br)ccc21 ZINC000095476758 568630733 /nfs/dbraw/zinc/63/07/33/568630733.db2.gz VACCFMMLQBKMOQ-UHFFFAOYSA-N 0 0 402.296 3.202 50 0 HGAARN C[C@@H]1CCC[C@H](C)N1C(=O)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000225385337 568633339 /nfs/dbraw/zinc/63/33/39/568633339.db2.gz FWPXALKDSQKIJC-HDICACEKSA-N 0 0 417.513 3.340 50 0 HGAARN O=S(=O)(NCc1nc(-c2cccc(Br)c2)no1)c1cccs1 ZINC000095481635 568633593 /nfs/dbraw/zinc/63/35/93/568633593.db2.gz VMOZHIKMHCNKDI-UHFFFAOYSA-N 0 0 400.279 3.039 50 0 HGAARN CC(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 ZINC000020614615 568637829 /nfs/dbraw/zinc/63/78/29/568637829.db2.gz KHVLJDCPYHLLKW-FQEVSTJZSA-N 0 0 413.493 3.190 50 0 HGAARN C[C@H]1CCN(c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC[S@@]1=O ZINC000225439766 568638022 /nfs/dbraw/zinc/63/80/22/568638022.db2.gz FWCMPZKLJXVZCY-OIJAAMDRSA-N 0 0 413.572 3.374 50 0 HGAARN CCOC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000225448447 568638766 /nfs/dbraw/zinc/63/87/66/568638766.db2.gz QIRSZBIRQDFUIN-CZUORRHYSA-N 0 0 403.306 3.402 50 0 HGAARN COc1ccccc1N1C(=O)c2ccccc2/C(=C\NCCCn2ccnc2)C1=O ZINC000020665190 568639586 /nfs/dbraw/zinc/63/95/86/568639586.db2.gz BFJNNDXCVFYHCF-XDJHFCHBSA-N 0 0 402.454 3.100 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000028834930 568639619 /nfs/dbraw/zinc/63/96/19/568639619.db2.gz RTKURBYPVWCLAS-UHFFFAOYSA-N 0 0 414.430 3.276 50 0 HGAARN CNC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Br)c1ccccc1 ZINC000225475846 568641404 /nfs/dbraw/zinc/64/14/04/568641404.db2.gz RDXWZVPOLJFOHN-LRDDRELGSA-N 0 0 423.282 3.349 50 0 HGAARN COc1ccc([C@H]2C(C(=O)N(C)C)=C(C)Nc3nc4ccccc4n32)c(OC)c1OC ZINC000020754505 568641477 /nfs/dbraw/zinc/64/14/77/568641477.db2.gz MVRXQHPEOWNZNV-IBGZPJMESA-N 0 0 422.485 3.439 50 0 HGAARN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NCc2ccco2)C[C@@H](C)O1 ZINC000020807672 568643995 /nfs/dbraw/zinc/64/39/95/568643995.db2.gz WSKIKKJDOMTSNW-HUUCEWRRSA-N 0 0 412.515 3.245 50 0 HGAARN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCCC(C)C)cc1 ZINC000020861493 568646003 /nfs/dbraw/zinc/64/60/03/568646003.db2.gz HECSHWFLTBULMC-UHFFFAOYSA-N 0 0 402.563 3.146 50 0 HGAARN CCc1nn(CCCC(=O)NCc2ccc(F)cc2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862426 568646201 /nfs/dbraw/zinc/64/62/01/568646201.db2.gz ZMOQKSWJBCZPFJ-UHFFFAOYSA-N 0 0 410.449 3.349 50 0 HGAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)NCCc1ccc(C)cc1 ZINC000020866681 568646657 /nfs/dbraw/zinc/64/66/57/568646657.db2.gz TVQDXXMXAUGIFV-UHFFFAOYSA-N 0 0 414.509 3.471 50 0 HGAARN COc1ccc(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000020866675 568646756 /nfs/dbraw/zinc/64/67/56/568646756.db2.gz FMLBQSCCGOMPQY-UHFFFAOYSA-N 0 0 402.454 3.451 50 0 HGAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccccc3C)cc2)S1 ZINC000020895407 568648853 /nfs/dbraw/zinc/64/88/53/568648853.db2.gz HAFSDORPKOUYOO-HXUWFJFHSA-N 0 0 413.499 3.454 50 0 HGAARN O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000020902822 568650355 /nfs/dbraw/zinc/65/03/55/568650355.db2.gz GWZZTEQZYUEHEE-UHFFFAOYSA-N 0 0 410.905 3.255 50 0 HGAARN C[C@H]1Cn2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020926373 568651254 /nfs/dbraw/zinc/65/12/54/568651254.db2.gz RVKBZRVUMWXTJR-NSHDSACASA-N 0 0 412.829 3.095 50 0 HGAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccccc1 ZINC000020932357 568651849 /nfs/dbraw/zinc/65/18/49/568651849.db2.gz XKSAFHHSTKCKNP-IBGZPJMESA-N 0 0 412.486 3.195 50 0 HGAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccco3)c(=O)c12 ZINC000020947384 568653744 /nfs/dbraw/zinc/65/37/44/568653744.db2.gz BYJXADYLGHMFBP-UHFFFAOYSA-N 0 0 410.861 3.367 50 0 HGAARN O=C(Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1ccccc1F ZINC000020984099 568654750 /nfs/dbraw/zinc/65/47/50/568654750.db2.gz FARQMKIAYPJVIK-UHFFFAOYSA-N 0 0 419.488 3.291 50 0 HGAARN CC(C)Cc1nn2c(nc(CSc3nnc(NC(=O)C(C)C)s3)cc2=O)s1 ZINC000020983751 568654821 /nfs/dbraw/zinc/65/48/21/568654821.db2.gz MTGGBDSVEDLPML-UHFFFAOYSA-N 0 0 424.577 3.088 50 0 HGAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2=O)s1 ZINC000021016939 568657546 /nfs/dbraw/zinc/65/75/46/568657546.db2.gz BRRJTMDGLJFEEE-UHFFFAOYSA-N 0 0 409.423 3.267 50 0 HGAARN COc1ccc(C(=O)NC[C@](C)(O)c2ccccc2Br)c(OC)c1OC ZINC000225623148 568658002 /nfs/dbraw/zinc/65/80/02/568658002.db2.gz GXFBUZKXVLPQCA-IBGZPJMESA-N 0 0 424.291 3.112 50 0 HGAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000007966296 568660423 /nfs/dbraw/zinc/66/04/23/568660423.db2.gz PXSBEJQBJJNYGH-AWEZNQCLSA-N 0 0 408.907 3.217 50 0 HGAARN CCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c1 ZINC000095945870 568663814 /nfs/dbraw/zinc/66/38/14/568663814.db2.gz ZAKLJLQKJHAEMH-HXUWFJFHSA-N 0 0 401.488 3.154 50 0 HGAARN CC(=O)Oc1ccc(C)cc1C1=NN(C(C)=O)[C@H](c2cncc(Br)c2)O1 ZINC000021092214 568664215 /nfs/dbraw/zinc/66/42/15/568664215.db2.gz ARESIYQTWBGODW-SFHVURJKSA-N 0 0 418.247 3.317 50 0 HGAARN Cc1cc(C)cc(NC(=O)CN2CCSc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC000021094197 568664495 /nfs/dbraw/zinc/66/44/95/568664495.db2.gz SBLMSNIISZYESJ-UHFFFAOYSA-N 0 0 419.572 3.105 50 0 HGAARN O=C(CS(=O)(=O)c1cccc2nsnc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000021110940 568667981 /nfs/dbraw/zinc/66/79/81/568667981.db2.gz NJWSJVHBVRAQRB-UHFFFAOYSA-N 0 0 417.390 3.002 50 0 HGAARN CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000225742984 568670570 /nfs/dbraw/zinc/67/05/70/568670570.db2.gz UGIIRTNJNHQASJ-LZLYRXPVSA-N 0 0 416.543 3.193 50 0 HGAARN C[C@H](NC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)c1ccc2c(c1)OCCO2 ZINC000021158636 568674018 /nfs/dbraw/zinc/67/40/18/568674018.db2.gz FNDRCMWHCLKTHG-HNNXBMFYSA-N 0 0 406.486 3.428 50 0 HGAARN Cc1cc(Cl)ccc1NC(=O)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000096310661 568675041 /nfs/dbraw/zinc/67/50/41/568675041.db2.gz YONMPMJUXFVPTE-IBGZPJMESA-N 0 0 404.942 3.199 50 0 HGAARN CCCOc1ccc(CNc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000095984801 568675871 /nfs/dbraw/zinc/67/58/71/568675871.db2.gz SDKZJMABIIPCMR-UHFFFAOYSA-N 0 0 408.495 3.248 50 0 HGAARN C[C@](O)(CNc1ccc2cc(Br)cc(Cl)c2n1)CN1CCOCC1 ZINC000095988687 568676848 /nfs/dbraw/zinc/67/68/48/568676848.db2.gz BLXWHZRYENFKQH-KRWDZBQOSA-N 0 0 414.731 3.146 50 0 HGAARN COc1ccc(OC)c([C@H]2CC(=O)N(C)c3c2c(C)nn3-c2nc(C)cc(C)n2)c1 ZINC000021177134 568677196 /nfs/dbraw/zinc/67/71/96/568677196.db2.gz ANBHNBAVXPNQIK-QGZVFWFLSA-N 0 0 407.474 3.103 50 0 HGAARN C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC000095988847 568677255 /nfs/dbraw/zinc/67/72/55/568677255.db2.gz MFMGFFGFQJSVJL-GHMZBOCLSA-N 0 0 424.350 3.407 50 0 HGAARN O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000095993302 568678158 /nfs/dbraw/zinc/67/81/58/568678158.db2.gz RDPYZIDDZFHFDS-LJQANCHMSA-N 0 0 413.485 3.131 50 0 HGAARN CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1 ZINC000095996547 568679067 /nfs/dbraw/zinc/67/90/67/568679067.db2.gz CZBHRVXNTWUZRB-UHFFFAOYSA-N 0 0 419.551 3.285 50 0 HGAARN Cc1cn(C(C)C)nc1NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NCC(C)C)c1 ZINC000225854620 568681082 /nfs/dbraw/zinc/68/10/82/568681082.db2.gz LGWVZADXHBECSM-UHFFFAOYSA-N 0 0 419.913 3.389 50 0 HGAARN Cc1c(C(=O)N(CCO)Cc2ccc(C)cc2)nnn1-c1cccc2cnccc21 ZINC000096009085 568683508 /nfs/dbraw/zinc/68/35/08/568683508.db2.gz VPVVGDIMPGUZCU-UHFFFAOYSA-N 0 0 401.470 3.067 50 0 HGAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000096010166 568683826 /nfs/dbraw/zinc/68/38/26/568683826.db2.gz NDMWEWMCQDRXKM-RBBKRZOGSA-N 0 0 423.900 3.304 50 0 HGAARN O=C(Nc1cccc2c1CCCN2[C@@H]1COCCC12OCCO2)c1ccc(F)cc1 ZINC000096012983 568685050 /nfs/dbraw/zinc/68/50/50/568685050.db2.gz GJJIBUJWQBSSNO-OAQYLSRUSA-N 0 0 412.461 3.363 50 0 HGAARN O=c1[nH]c(CSc2nc[nH]n2)nc2c(Br)cc(Br)cc12 ZINC000021348062 568687491 /nfs/dbraw/zinc/68/74/91/568687491.db2.gz NGMIPGDKEWZDJN-UHFFFAOYSA-N 0 0 417.086 3.271 50 0 HGAARN O=C(c1ccc(Cl)s1)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1cccs1)C2 ZINC000096095752 568688735 /nfs/dbraw/zinc/68/87/35/568688735.db2.gz KGUMSDWGVJJCJT-OUAUKWLOSA-N 0 0 402.950 3.045 50 0 HGAARN COC(=O)c1ccc(C(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 ZINC000096096930 568689411 /nfs/dbraw/zinc/68/94/11/568689411.db2.gz ZHBNWJZTMZWROJ-UHFFFAOYSA-N 0 0 419.275 3.314 50 0 HGAARN O=C(NCc1ccncc1)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1 ZINC000096097185 568689524 /nfs/dbraw/zinc/68/95/24/568689524.db2.gz QWDQGUCDEZZWJV-UHFFFAOYSA-N 0 0 404.875 3.373 50 0 HGAARN CCS(=O)(=O)N1CCCc2cc(NC(=O)c3cncc(Br)c3)ccc21 ZINC000096098389 568689575 /nfs/dbraw/zinc/68/95/75/568689575.db2.gz SKSNCUHPOIPWNP-UHFFFAOYSA-N 0 0 424.320 3.199 50 0 HGAARN CCOC(=O)CC(=O)Nc1nnc(SCc2nnc(-c3ccccc3C)o2)s1 ZINC000021359132 568689723 /nfs/dbraw/zinc/68/97/23/568689723.db2.gz YUFYPKAPPMVSMV-UHFFFAOYSA-N 0 0 419.488 3.081 50 0 HGAARN CCOc1ccc(NC(=O)c2cn(CC)nc2S(=O)(=O)N2CCCCCC2)cc1 ZINC000096101743 568691306 /nfs/dbraw/zinc/69/13/06/568691306.db2.gz UCPVYGDGFFEENY-UHFFFAOYSA-N 0 0 420.535 3.119 50 0 HGAARN O=C(NCc1ccccc1)C1CCN(c2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000096102177 568691520 /nfs/dbraw/zinc/69/15/20/568691520.db2.gz UHZAXHWSLVWUMX-UHFFFAOYSA-N 0 0 403.408 3.281 50 0 HGAARN O=C(C=Cc1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000096105638 568693092 /nfs/dbraw/zinc/69/30/92/568693092.db2.gz JCKFLNFXWWDSQL-DHZHZOJOSA-N 0 0 423.900 3.466 50 0 HGAARN CC(C)Cc1nc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc2[nH]1 ZINC000096114078 568693685 /nfs/dbraw/zinc/69/36/85/568693685.db2.gz DVEFZBCEJKEDMX-SFHVURJKSA-N 0 0 419.485 3.231 50 0 biogenic HGAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccc(OC)cc1)c1ccc(OC)c(O)c1 ZINC000096114218 568693990 /nfs/dbraw/zinc/69/39/90/568693990.db2.gz IFMKPPQAOITXTE-INIZCTEOSA-N 0 0 412.442 3.124 50 0 biogenic HGAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc(OC)cc1)c1ccc(O)c(OC)c1 ZINC000096115004 568694706 /nfs/dbraw/zinc/69/47/06/568694706.db2.gz OJRHUIRROVTQQN-MRXNPFEDSA-N 0 0 412.442 3.124 50 0 biogenic HGAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cnn(C)c2)cc1 ZINC000096115383 568694799 /nfs/dbraw/zinc/69/47/99/568694799.db2.gz AYFMTDZYYFTSKZ-NQIIRXRSSA-N 0 0 417.421 3.067 50 0 biogenic HGAARN COc1ccccc1CC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000012390750 568695121 /nfs/dbraw/zinc/69/51/21/568695121.db2.gz PDIYUMJDPQGYKO-UHFFFAOYSA-N 0 0 419.525 3.413 50 0 HGAARN COC(=O)C[C@@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1cc(OC)c2c(c1)OCCO2 ZINC000096115593 568695367 /nfs/dbraw/zinc/69/53/67/568695367.db2.gz KSMPWRSVPKJHQJ-MRXNPFEDSA-N 0 0 424.453 3.181 50 0 biogenic HGAARN O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1cccc(OC(F)F)c1)SCC(=O)N2 ZINC000096117048 568696456 /nfs/dbraw/zinc/69/64/56/568696456.db2.gz FLEWXXYYKXMHPV-HNNXBMFYSA-N 0 0 411.430 3.316 50 0 HGAARN COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)o1 ZINC000096117245 568696615 /nfs/dbraw/zinc/69/66/15/568696615.db2.gz LKBCZPOFOIOIEU-CYBMUJFWSA-N 0 0 402.321 3.085 50 0 HGAARN Cc1cc(=O)oc2cc(OCC(=O)NCCc3nc4ccccc4[nH]3)c(Cl)cc12 ZINC000096117998 568697566 /nfs/dbraw/zinc/69/75/66/568697566.db2.gz ONUCWSMOVQTFPT-UHFFFAOYSA-N 0 0 411.845 3.369 50 0 HGAARN COc1ccc(-c2cc(C(=O)NCCCc3nc4ccccc4[nH]3)[nH]n2)cc1OC ZINC000096118491 568698114 /nfs/dbraw/zinc/69/81/14/568698114.db2.gz CMGOGOZRDUYFJQ-UHFFFAOYSA-N 0 0 405.458 3.333 50 0 HGAARN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1 ZINC000096119617 568698794 /nfs/dbraw/zinc/69/87/94/568698794.db2.gz JAZOWTWIHIXWOA-UHFFFAOYSA-N 0 0 413.455 3.125 50 0 HGAARN CC[C@](CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)(OC)c1ccccc1 ZINC000096123729 568700351 /nfs/dbraw/zinc/70/03/51/568700351.db2.gz XCVLKPCHXFODAL-JOCHJYFZSA-N 0 0 403.544 3.479 50 0 HGAARN Cc1nnc(NC(=O)C2CCN(c3cc(-n4ccc5ccccc54)ncn3)CC2)s1 ZINC000096124045 568700621 /nfs/dbraw/zinc/70/06/21/568700621.db2.gz UXYCYMPIWFYOOI-UHFFFAOYSA-N 0 0 419.514 3.436 50 0 HGAARN COCCn1c(C[C@H]2CCN(C(=O)Nc3cc(F)cc(F)c3)C2)nc2cccnc21 ZINC000096125058 568701389 /nfs/dbraw/zinc/70/13/89/568701389.db2.gz ZMGCNWURZQYOKO-CQSZACIVSA-N 0 0 415.444 3.452 50 0 HGAARN O=C(/C=C\c1ccc(Br)o1)N1CCN(C(=O)Oc2ccccc2)CC1 ZINC000096179959 568702390 /nfs/dbraw/zinc/70/23/90/568702390.db2.gz DORMCBFRIVHUGW-CLFYSBASSA-N 0 0 405.248 3.399 50 0 HGAARN CC(C)[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1nc2ccccc2[nH]1 ZINC000096222508 568705757 /nfs/dbraw/zinc/70/57/57/568705757.db2.gz RTZOVNDMYPQIPN-CAMMJAKZSA-N 0 0 415.563 3.102 50 0 biogenic HGAARN COCc1nc(-c2cccc(NC(=O)Cn3ccc4c3cccc4NC(C)=O)c2)n[nH]1 ZINC000096230769 568706834 /nfs/dbraw/zinc/70/68/34/568706834.db2.gz ANJUEJBTWRLLFG-UHFFFAOYSA-N 0 0 418.457 3.170 50 0 HGAARN COC(=O)C[C@@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1cc2ccccc2[nH]c1=O ZINC000096230736 568706850 /nfs/dbraw/zinc/70/68/50/568706850.db2.gz VEBVBTKLHYKGGQ-MRXNPFEDSA-N 0 0 403.438 3.243 50 0 HGAARN CC(C)n1c(CCCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)nc2ccccc21 ZINC000096231099 568707181 /nfs/dbraw/zinc/70/71/81/568707181.db2.gz AUUHMMNKDUYEBL-GOSISDBHSA-N 0 0 406.534 3.373 50 0 HGAARN CCOC(=O)[C@@H](C)n1nc(Br)c(Br)c1Br ZINC000059949907 568709652 /nfs/dbraw/zinc/70/96/52/568709652.db2.gz CWRROPZKRHEWSQ-SCSAIBSYSA-N 0 0 404.884 3.295 50 0 HGAARN Cc1ccc(CNC(=O)CCn2cnc3c(c(C)c(C)n3-c3ccccc3)c2=O)o1 ZINC000021534915 568711945 /nfs/dbraw/zinc/71/19/45/568711945.db2.gz QPFFBBRCMXENDS-UHFFFAOYSA-N 0 0 404.470 3.412 50 0 HGAARN CCN(C(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)c1ccccc1 ZINC000021537144 568712524 /nfs/dbraw/zinc/71/25/24/568712524.db2.gz SFTXIFGARZWYNO-UHFFFAOYSA-N 0 0 405.483 3.230 50 0 HGAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n32)cc1 ZINC000021537164 568712549 /nfs/dbraw/zinc/71/25/49/568712549.db2.gz RWECPXKUCZHGNU-UHFFFAOYSA-N 0 0 421.482 3.132 50 0 HGAARN Cc1ccc(NC(=O)CCc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 ZINC000021540441 568713765 /nfs/dbraw/zinc/71/37/65/568713765.db2.gz WXODMBBFMJOGHS-UHFFFAOYSA-N 0 0 401.470 3.377 50 0 HGAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096275924 568714755 /nfs/dbraw/zinc/71/47/55/568714755.db2.gz FAQSTPBHACAWIG-QGZVFWFLSA-N 0 0 401.444 3.141 50 0 HGAARN COc1ccccc1[C@H](CC(=O)NCCN1CCOCC1)c1c[nH]c2ccccc21 ZINC000096278887 568716965 /nfs/dbraw/zinc/71/69/65/568716965.db2.gz WXOMZLKMNFDCOC-FQEVSTJZSA-N 0 0 407.514 3.147 50 0 HGAARN COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1ccccc1OC ZINC000012415325 568717439 /nfs/dbraw/zinc/71/74/39/568717439.db2.gz NXXHGDLFTODTBI-UHFFFAOYSA-N 0 0 409.460 3.314 50 0 HGAARN CCCc1cc(=O)[nH]c(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)n1 ZINC000012415732 568718038 /nfs/dbraw/zinc/71/80/38/568718038.db2.gz VEHUOYFSHQSKEX-UHFFFAOYSA-N 0 0 418.475 3.091 50 0 HGAARN O=C(NCc1ccco1)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1 ZINC000000862663 568718536 /nfs/dbraw/zinc/71/85/36/568718536.db2.gz XENGVELZLYGIBJ-LCYFTJDESA-N 0 0 405.204 3.315 50 0 HGAARN CCOc1nn(CC)cc1-c1nnc(SCC(=O)N2CCCCCC2)n1CC ZINC000012422705 568721201 /nfs/dbraw/zinc/72/12/01/568721201.db2.gz FVWUVKBFEPALCM-UHFFFAOYSA-N 0 0 406.556 3.075 50 0 HGAARN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cn(C)nc1OC ZINC000012422651 568721213 /nfs/dbraw/zinc/72/12/13/568721213.db2.gz BFEPAWRCRJTKHM-UHFFFAOYSA-N 0 0 420.926 3.400 50 0 HGAARN CCCN1c2ccc(NC(=O)C3CC3)cc2S(=O)(=O)N=C1c1cccc(OC)c1 ZINC000096293437 568721757 /nfs/dbraw/zinc/72/17/57/568721757.db2.gz IPDSNCHFNGYTTE-UHFFFAOYSA-N 0 0 413.499 3.409 50 0 HGAARN CC(C)(C)n1ncc2c1ncn(CCC(=O)Nc1cccc(C(F)(F)F)c1)c2=O ZINC000012440128 568723033 /nfs/dbraw/zinc/72/30/33/568723033.db2.gz WYUZCSUNBDBSHK-UHFFFAOYSA-N 0 0 407.396 3.396 50 0 HGAARN COc1ccc(OC)c(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)c1 ZINC000012440931 568723873 /nfs/dbraw/zinc/72/38/73/568723873.db2.gz IBKBXJJDWOUVTQ-UHFFFAOYSA-N 0 0 411.433 3.486 50 0 HGAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCc4nc(N5CCCC5)ncc4C3)c2c1 ZINC000096310364 568724457 /nfs/dbraw/zinc/72/44/57/568724457.db2.gz CVJNIYYGJOBZMO-MRXNPFEDSA-N 0 0 419.529 3.031 50 0 HGAARN Cc1cccc(NC(=O)CCCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c1 ZINC000021640493 568727800 /nfs/dbraw/zinc/72/78/00/568727800.db2.gz QAHPLVBNLJRROC-UHFFFAOYSA-N 0 0 405.433 3.289 50 0 HGAARN COc1ccc(-c2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4C(C)C)no2)c(OC)c1 ZINC000096320622 568728432 /nfs/dbraw/zinc/72/84/32/568728432.db2.gz QGRNGUYZPLSZNA-UHFFFAOYSA-N 0 0 408.414 3.005 50 0 HGAARN O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NC1CCCCCC1 ZINC000021649770 568728654 /nfs/dbraw/zinc/72/86/54/568728654.db2.gz HHDOBUHKXLNXOO-UHFFFAOYSA-N 0 0 405.498 3.051 50 0 HGAARN CC(=O)Nc1cccc(-c2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4C(C)C)no2)c1C ZINC000096320623 568728675 /nfs/dbraw/zinc/72/86/75/568728675.db2.gz CMSDGEWZYGENEZ-UHFFFAOYSA-N 0 0 419.441 3.255 50 0 HGAARN CCc1nnc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3F)c[nH]2)o1 ZINC000096321600 568728890 /nfs/dbraw/zinc/72/88/90/568728890.db2.gz XMZKOJGHTKHJSJ-UHFFFAOYSA-N 0 0 415.244 3.330 50 0 HGAARN Cc1ccc(C(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)cc1 ZINC000096321828 568729357 /nfs/dbraw/zinc/72/93/57/568729357.db2.gz ZBMKVPAOPQZRLW-UHFFFAOYSA-N 0 0 410.499 3.110 50 0 HGAARN COc1coc(Cn2c3cc(C(F)(F)F)ccc3nc(C(F)(F)F)c2=O)cc1=O ZINC000242048112 568732294 /nfs/dbraw/zinc/73/22/94/568732294.db2.gz VSVFIRMNVYCMSE-UHFFFAOYSA-N 0 0 420.265 3.444 50 0 HGAARN COc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1 ZINC000000874007 568732999 /nfs/dbraw/zinc/73/29/99/568732999.db2.gz QGLNYBUEDQRZKU-UHFFFAOYSA-N 0 0 401.467 3.306 50 0 HGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000005788118 568733065 /nfs/dbraw/zinc/73/30/65/568733065.db2.gz HZDBBBNLTSJAFY-UHFFFAOYSA-N 0 0 419.455 3.108 50 0 HGAARN CCOc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc1 ZINC000096324668 568734304 /nfs/dbraw/zinc/73/43/04/568734304.db2.gz YIYRYFVYVAUNBA-UHFFFAOYSA-N 0 0 419.485 3.361 50 0 HGAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000005797779 568734527 /nfs/dbraw/zinc/73/45/27/568734527.db2.gz AJIFXOPLOWNLFU-HXUWFJFHSA-N 0 0 401.850 3.144 50 0 HGAARN O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000096343980 568737133 /nfs/dbraw/zinc/73/71/33/568737133.db2.gz OOHSUOBYVGIUQF-LLVKDONJSA-N 0 0 405.296 3.127 50 0 HGAARN CC(C)OC(=O)c1cccc(-c2nnn(Cc3cc(Cl)cc4c3OCOC4)n2)c1 ZINC000018664745 568738319 /nfs/dbraw/zinc/73/83/19/568738319.db2.gz CSXALKNPYACTGB-UHFFFAOYSA-N 0 0 414.849 3.474 50 0 HGAARN Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cnn1C ZINC000000884617 568738496 /nfs/dbraw/zinc/73/84/96/568738496.db2.gz HIAKPHWWWSXXND-IUODEOHRSA-N 0 0 408.384 3.108 50 0 HGAARN O=C1C[C@]2(CCN(S(=O)(=O)c3ccccc3Br)C2)Oc2ccccc21 ZINC000096367666 568739748 /nfs/dbraw/zinc/73/97/48/568739748.db2.gz LVWOMKJVGPDEDP-SFHVURJKSA-N 0 0 422.300 3.248 50 0 HGAARN O=C(c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O)N1CCCCCC1 ZINC000096372483 568739812 /nfs/dbraw/zinc/73/98/12/568739812.db2.gz RPNMJQPRORVOTO-UHFFFAOYSA-N 0 0 403.486 3.104 50 0 HGAARN CCC(=O)NCc1csc([C@@H]2CCCN(S(=O)(=O)c3cc(C)cc(C)c3)C2)n1 ZINC000096372850 568740391 /nfs/dbraw/zinc/74/03/91/568740391.db2.gz UNPCFTFQWUHWFF-MRXNPFEDSA-N 0 0 421.588 3.354 50 0 HGAARN CC(=O)NCCc1csc([C@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n1 ZINC000096373018 568740517 /nfs/dbraw/zinc/74/05/17/568740517.db2.gz JKHONJZPNLRURI-INIZCTEOSA-N 0 0 405.951 3.424 50 0 HGAARN CCOc1ccc([C@H](C)NC(=O)Cn2c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000096385459 568741764 /nfs/dbraw/zinc/74/17/64/568741764.db2.gz CCJQKOJDUQLUEF-KRWDZBQOSA-N 0 0 416.481 3.463 50 0 HGAARN CCOc1ccc(CNC(=O)Cn2c3cccnc3n(C3CCCCC3)c2=O)cc1 ZINC000096385939 568742171 /nfs/dbraw/zinc/74/21/71/568742171.db2.gz AIDBLFKBIAQRCD-UHFFFAOYSA-N 0 0 408.502 3.418 50 0 HGAARN O=C(Cc1cccc(Cl)c1)NCCn1c(=O)n(Cc2ccccc2)c2cccnc21 ZINC000096385950 568742333 /nfs/dbraw/zinc/74/23/33/568742333.db2.gz MPDJDVYQJYVJSK-UHFFFAOYSA-N 0 0 420.900 3.259 50 0 HGAARN O=C(CC1CCCCC1)NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21 ZINC000096386062 568742444 /nfs/dbraw/zinc/74/24/44/568742444.db2.gz HGLMQYCWODOQCZ-UHFFFAOYSA-N 0 0 410.493 3.472 50 0 HGAARN COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000096396324 568744922 /nfs/dbraw/zinc/74/49/22/568744922.db2.gz GTTRJTBOVOXPED-INIZCTEOSA-N 0 0 408.907 3.049 50 0 HGAARN Cn1c(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)nc2ccccc21 ZINC000096398319 568746848 /nfs/dbraw/zinc/74/68/48/568746848.db2.gz QXTLFXSTGKOUEA-OAHLLOKOSA-N 0 0 422.554 3.292 50 0 HGAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccccc2F)c1 ZINC000021709408 568748123 /nfs/dbraw/zinc/74/81/23/568748123.db2.gz STLJPXNIZCRCGW-UHFFFAOYSA-N 0 0 408.495 3.007 50 0 HGAARN CC(C)[C@@H](NC(=O)CCCCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 ZINC000248206257 568748244 /nfs/dbraw/zinc/74/82/44/568748244.db2.gz BEBINVGUNUMSKD-HXUWFJFHSA-N 0 0 408.506 3.157 50 0 HGAARN O=C(c1ccc(Br)cc1)N1CC[C@@H]2ON(Cc3ccccc3)C(=O)[C@H]21 ZINC000252510249 568752323 /nfs/dbraw/zinc/75/23/23/568752323.db2.gz ZFKRYHKCUVGAAS-IRXDYDNUSA-N 0 0 401.260 3.006 50 0 HGAARN COc1cc(OC)cc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)c1 ZINC000021777952 568752495 /nfs/dbraw/zinc/75/24/95/568752495.db2.gz ULOHXVRTEDZUOW-HNNXBMFYSA-N 0 0 422.441 3.168 50 0 HGAARN CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(c3ccccc3Cl)=NC2=N1 ZINC000000940692 568753078 /nfs/dbraw/zinc/75/30/78/568753078.db2.gz UQWHAKFQCODVQG-INIZCTEOSA-N 0 0 400.269 3.430 50 0 HGAARN CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(c3ccccc3Cl)=NC2=N1 ZINC000000940690 568753095 /nfs/dbraw/zinc/75/30/95/568753095.db2.gz TXIHKWCFFGWIIK-INIZCTEOSA-N 0 0 400.269 3.430 50 0 HGAARN Cc1cc(=O)n2nc(-c3ccccc3Cl)nc2n1CC(=O)Nc1ccc(F)cc1 ZINC000021802673 568754166 /nfs/dbraw/zinc/75/41/66/568754166.db2.gz ABFFDDQEPTZZGX-UHFFFAOYSA-N 0 0 411.824 3.298 50 0 HGAARN COc1cccc(NC(=O)Cn2c3nc(-c4ccc(Cl)cc4)nn3c(=O)cc2C)c1 ZINC000021802594 568754177 /nfs/dbraw/zinc/75/41/77/568754177.db2.gz SNJMBUGCNMSEOZ-UHFFFAOYSA-N 0 0 423.860 3.167 50 0 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Cc1ccccc1-n1c(SC[C@@H]2COc3ccccc3O2)nnc1N1CCOCC1 ZINC000012516580 568840641 /nfs/dbraw/zinc/84/06/41/568840641.db2.gz HLEZNWGJKJYJMT-KRWDZBQOSA-N 0 0 424.526 3.344 50 0 HGAARN CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012516781 568840667 /nfs/dbraw/zinc/84/06/67/568840667.db2.gz QXIYURYIUYIJMU-CQSZACIVSA-N 0 0 414.405 3.152 50 0 HGAARN Cc1ccc(Nc2nc(N)nc(COC(=O)c3c[nH]nc3-c3ccccc3)n2)cc1 ZINC000012520137 568840982 /nfs/dbraw/zinc/84/09/82/568840982.db2.gz LLKVFMPSFZSRCM-UHFFFAOYSA-N 0 0 401.430 3.253 50 0 HGAARN C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000003027218 568841625 /nfs/dbraw/zinc/84/16/25/568841625.db2.gz YCCXQCHFSNCTSR-KSSFIOAISA-N 0 0 414.889 3.480 50 0 HGAARN CCOc1ccc(NCC(=O)N(c2ccccc2)C(C)C)cc1S(=O)(=O)N(C)C ZINC000012523365 568842272 /nfs/dbraw/zinc/84/22/72/568842272.db2.gz VAIHMWLZPVFCCN-UHFFFAOYSA-N 0 0 419.547 3.189 50 0 HGAARN CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCCC1 ZINC000012527669 568843583 /nfs/dbraw/zinc/84/35/83/568843583.db2.gz RKJZDRJPNMTPJA-UHFFFAOYSA-N 0 0 423.579 3.294 50 0 HGAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000057490757 568843983 /nfs/dbraw/zinc/84/39/83/568843983.db2.gz ZQUGQUDKIVWUAL-UHFFFAOYSA-N 0 0 421.478 3.170 50 0 HGAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)cc1C ZINC000057491179 568844020 /nfs/dbraw/zinc/84/40/20/568844020.db2.gz PCICABRPJGVEFU-UHFFFAOYSA-N 0 0 405.479 3.469 50 0 HGAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)c1 ZINC000057492217 568844157 /nfs/dbraw/zinc/84/41/57/568844157.db2.gz MLTRGGKCFFVNHP-UHFFFAOYSA-N 0 0 405.479 3.469 50 0 HGAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000012531150 568844206 /nfs/dbraw/zinc/84/42/06/568844206.db2.gz LUJLWTYTDFUTAZ-UHFFFAOYSA-N 0 0 418.453 3.296 50 0 HGAARN CC1(C)O[C@H]2O[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000002107139 568844546 /nfs/dbraw/zinc/84/45/46/568844546.db2.gz JPMRKXGFGGGORQ-WZYWGQKZSA-N 0 0 417.380 3.040 50 0 biogenic HGAARN Cc1cnc2c(cccc2S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000012538273 568846532 /nfs/dbraw/zinc/84/65/32/568846532.db2.gz MHHTZDAALMPFKR-UHFFFAOYSA-N 0 0 409.511 3.256 50 0 HGAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCOCC3)sc21 ZINC000057506939 568846966 /nfs/dbraw/zinc/84/69/66/568846966.db2.gz JARUZCWDSIHJJH-UHFFFAOYSA-N 0 0 415.544 3.271 50 0 HGAARN O=C(CSc1ncnc2nc(N3CCOCC3)sc21)Nc1ccc(Cl)cc1 ZINC000057506998 568847065 /nfs/dbraw/zinc/84/70/65/568847065.db2.gz KWRAJOLTDPCPAB-UHFFFAOYSA-N 0 0 421.935 3.307 50 0 HGAARN CCc1cccc(C)c1NC(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O ZINC000057507379 568847075 /nfs/dbraw/zinc/84/70/75/568847075.db2.gz CQQUZRCBDZAZME-UHFFFAOYSA-N 0 0 402.458 3.144 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)Cn2c(=O)cc(C)nc2Nc2ccc(F)c(C)c2)cc1 ZINC000057507847 568847263 /nfs/dbraw/zinc/84/72/63/568847263.db2.gz ICCFUKVQLSUORG-UHFFFAOYSA-N 0 0 423.448 3.340 50 0 HGAARN CCOC(=O)c1sccc1NC(=O)Cn1c(=O)cc(C)nc1-c1ccc(F)cc1 ZINC000057522357 568850165 /nfs/dbraw/zinc/85/01/65/568850165.db2.gz IBGQJJCESVVQGH-UHFFFAOYSA-N 0 0 415.446 3.235 50 0 HGAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c(nnc3C(C)C)c2=O)cc1 ZINC000057522539 568850166 /nfs/dbraw/zinc/85/01/66/568850166.db2.gz XCIDQISBNARGER-UHFFFAOYSA-N 0 0 403.442 3.009 50 0 HGAARN Cc1cccc(Nc2nnc(SCC(=O)NCCCN3CCCC3=O)s2)c1C ZINC000012545783 568850444 /nfs/dbraw/zinc/85/04/44/568850444.db2.gz OBTBPXQKYPHEGX-UHFFFAOYSA-N 0 0 419.576 3.119 50 0 HGAARN O=C(NCc1cccs1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003051461 568851188 /nfs/dbraw/zinc/85/11/88/568851188.db2.gz WJKKOKCHWIAGRA-UHFFFAOYSA-N 0 0 404.488 3.296 50 0 HGAARN O=C(Nn1cnc2ccccc21)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548156 568851341 /nfs/dbraw/zinc/85/13/41/568851341.db2.gz GJWWIJUGJSUDGW-UHFFFAOYSA-N 0 0 410.430 3.360 50 0 HGAARN CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)NC(=S)N1c1ccccc1 ZINC000012551871 568853838 /nfs/dbraw/zinc/85/38/38/568853838.db2.gz CFNQEVFTMBNTEA-FQEVSTJZSA-N 0 0 411.502 3.394 50 0 HGAARN O=C(N[C@H](c1cccnc1)C1CCOCC1)[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000230171468 568853918 /nfs/dbraw/zinc/85/39/18/568853918.db2.gz BLPMULVBZSGVJT-FPOVZHCZSA-N 0 0 406.486 3.476 50 0 HGAARN O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000003317854 568854016 /nfs/dbraw/zinc/85/40/16/568854016.db2.gz ABBYMYPKDZYRAZ-UHFFFAOYSA-N 0 0 404.521 3.183 50 0 HGAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000012552445 568854159 /nfs/dbraw/zinc/85/41/59/568854159.db2.gz BYBNPMAAYHPLNV-HNNXBMFYSA-N 0 0 400.431 3.065 50 0 HGAARN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)CC1 ZINC000230218245 568855039 /nfs/dbraw/zinc/85/50/39/568855039.db2.gz FJNRAHKVZOHSGJ-ZNOIYHFQSA-N 0 0 422.953 3.377 50 0 HGAARN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000230217026 568855182 /nfs/dbraw/zinc/85/51/82/568855182.db2.gz YHEHDMXAWFSXLY-JXXFODFXSA-N 0 0 416.499 3.182 50 0 HGAARN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)CC1 ZINC000230218240 568855185 /nfs/dbraw/zinc/85/51/85/568855185.db2.gz FJNRAHKVZOHSGJ-BKTGTZMESA-N 0 0 422.953 3.377 50 0 HGAARN COc1ccc(S(=O)(=O)NCCCn2cnc3ccccc32)cc1Br ZINC000012555121 568855285 /nfs/dbraw/zinc/85/52/85/568855285.db2.gz UVAZBYAQCAIQGM-UHFFFAOYSA-N 0 0 424.320 3.176 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000003339272 568855452 /nfs/dbraw/zinc/85/54/52/568855452.db2.gz GHALRKLZMSMKMP-UHFFFAOYSA-N 0 0 418.515 3.129 50 0 HGAARN COc1ccc(OC)c(CN2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)c1 ZINC000012556846 568855972 /nfs/dbraw/zinc/85/59/72/568855972.db2.gz XYGHQSXGYKUMJT-UHFFFAOYSA-N 0 0 415.563 3.428 50 0 HGAARN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)cn2)CC1=O ZINC000057625929 568856063 /nfs/dbraw/zinc/85/60/63/568856063.db2.gz SRNBAFYWAJFRPS-GFCCVEGCSA-N 0 0 404.264 3.234 50 0 HGAARN C[C@H](NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000057650871 568857201 /nfs/dbraw/zinc/85/72/01/568857201.db2.gz PJCSYQZAURAILA-DOTOQJQBSA-N 0 0 406.935 3.211 50 0 HGAARN O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc2c(c1)OCCO2 ZINC000003416125 568858667 /nfs/dbraw/zinc/85/86/67/568858667.db2.gz ZTSBYTBCTNGOJH-UHFFFAOYSA-N 0 0 407.426 3.031 50 0 HGAARN CCCn1c(=O)n(C)c(=O)c2c(SCc3cccc(F)c3)nc(C3CC3)nc21 ZINC000003459035 568860199 /nfs/dbraw/zinc/86/01/99/568860199.db2.gz ZFQRGCKGXJVOJF-UHFFFAOYSA-N 0 0 400.479 3.209 50 0 HGAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012567891 568860558 /nfs/dbraw/zinc/86/05/58/568860558.db2.gz ARXBJKFMDMVUSN-HXUWFJFHSA-N 0 0 411.933 3.033 50 0 HGAARN O=C(NC(=S)Nc1ncccn1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003195915 568861011 /nfs/dbraw/zinc/86/10/11/568861011.db2.gz YVJXLYAJCFJDBJ-UHFFFAOYSA-N 0 0 400.467 3.456 50 0 HGAARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc32)cc1 ZINC000057840953 568863156 /nfs/dbraw/zinc/86/31/56/568863156.db2.gz AZSCJLVUWUODER-CYBMUJFWSA-N 0 0 407.426 3.090 50 0 HGAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000003597920 568863910 /nfs/dbraw/zinc/86/39/10/568863910.db2.gz JSTQOAJJXFRAEP-UHFFFAOYSA-N 0 0 422.890 3.148 50 0 HGAARN COc1cccc2cc(C(=O)OCC(=O)N[C@H](C)CCc3ccccc3)c(=O)oc21 ZINC000003224049 568863955 /nfs/dbraw/zinc/86/39/55/568863955.db2.gz GTCYITCYHLURLV-OAHLLOKOSA-N 0 0 409.438 3.096 50 0 HGAARN Cc1cccc(CS[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000012582295 568864978 /nfs/dbraw/zinc/86/49/78/568864978.db2.gz KMXPGSOWZVFJRT-SFHVURJKSA-N 0 0 418.584 3.150 50 0 HGAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000670433924 568867108 /nfs/dbraw/zinc/86/71/08/568867108.db2.gz MTIBEZKZVITINF-MRXNPFEDSA-N 0 0 424.810 3.275 50 0 HGAARN CN(CCc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000012587418 568867471 /nfs/dbraw/zinc/86/74/71/568867471.db2.gz AAHLDZRPGIISLY-XMMPIXPASA-N 0 0 415.537 3.231 50 0 HGAARN COc1ccccc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000003249962 568867523 /nfs/dbraw/zinc/86/75/23/568867523.db2.gz OQWRUCLSPWFCEU-IBGZPJMESA-N 0 0 418.877 3.285 50 0 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Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)[C@@H](C)Oc2ccccc2)CC3)n1 ZINC000299795308 568876267 /nfs/dbraw/zinc/87/62/67/568876267.db2.gz LMTJGCSRMIIMFS-NQIIRXRSSA-N 0 0 407.514 3.102 50 0 HGAARN CCOc1ccc(NC(=O)COCCC(C)C)cc1S(=O)(=O)N(CC)CC ZINC000058017907 568876535 /nfs/dbraw/zinc/87/65/35/568876535.db2.gz ZEGVKORLTFNOTL-UHFFFAOYSA-N 0 0 400.541 3.117 50 0 HGAARN CCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(C)ccc3OC)cc2C1=O ZINC000003309029 568877679 /nfs/dbraw/zinc/87/76/79/568877679.db2.gz FCGXYQZUUMDKNY-UHFFFAOYSA-N 0 0 424.453 3.195 50 0 HGAARN O=C(COC(=O)c1cc(Br)ccc1Cl)c1ccc2c(c1)NC(=O)CO2 ZINC000003308959 568877706 /nfs/dbraw/zinc/87/77/06/568877706.db2.gz DOHYLXWMAPBJKH-UHFFFAOYSA-N 0 0 424.634 3.473 50 0 HGAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)n2N)cc1 ZINC000003312449 568878691 /nfs/dbraw/zinc/87/86/91/568878691.db2.gz BKUAKACDUVACHT-UHFFFAOYSA-N 0 0 409.302 3.400 50 0 HGAARN CC(C)c1sc(-n2cccc2)nc1C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000263585789 568878803 /nfs/dbraw/zinc/87/88/03/568878803.db2.gz MMIJWANCGXOSKZ-CVEARBPZSA-N 0 0 408.527 3.478 50 0 biogenic HGAARN COc1ccc2cc(CCNC(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 ZINC000004032873 568878945 /nfs/dbraw/zinc/87/89/45/568878945.db2.gz SXGVMLSAGLKDRG-UHFFFAOYSA-N 0 0 401.260 3.272 50 0 HGAARN COc1cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc(OC)c1OC ZINC000003322066 568880613 /nfs/dbraw/zinc/88/06/13/568880613.db2.gz RUBFCWYZHHAWQV-UHFFFAOYSA-N 0 0 411.357 3.109 50 0 HGAARN CC(C)[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)NC(N)=O ZINC000003325449 568881087 /nfs/dbraw/zinc/88/10/87/568881087.db2.gz VDQXVQSZRXSSTC-CQSZACIVSA-N 0 0 401.517 3.307 50 0 HGAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H]2CCCc3ccccc32)C(C)C)cc1 ZINC000003329849 568881732 /nfs/dbraw/zinc/88/17/32/568881732.db2.gz WNCGZDFQWQAIIK-SFTDATJTSA-N 0 0 400.544 3.492 50 0 HGAARN CCOc1ccc2ccccc2c1[C@@H]1NC(=S)N=C(C)C1C(=O)OCCOC ZINC000004070117 568881897 /nfs/dbraw/zinc/88/18/97/568881897.db2.gz ZEPYIVVRWJEUJR-LJQANCHMSA-N 0 0 400.500 3.221 50 0 HGAARN COc1ccc(Br)cc1S(=O)(=O)NCCCOC1CCCCC1 ZINC000015359810 568881934 /nfs/dbraw/zinc/88/19/34/568881934.db2.gz GQYAWPWNOHHJER-UHFFFAOYSA-N 0 0 406.342 3.475 50 0 HGAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 ZINC000004072507 568882263 /nfs/dbraw/zinc/88/22/63/568882263.db2.gz DDFPOLFYIBYHPR-UHFFFAOYSA-N 0 0 408.439 3.160 50 0 HGAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000003334068 568882417 /nfs/dbraw/zinc/88/24/17/568882417.db2.gz KLNVVBSXKMPMQB-YOEHRIQHSA-N 0 0 410.536 3.103 50 0 HGAARN COC(=O)c1cn([C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc2c(=O)[nH]nc1-2 ZINC000263588135 568883505 /nfs/dbraw/zinc/88/35/05/568883505.db2.gz PLXWOXLQKQAQDG-IBGZPJMESA-N 0 0 413.437 3.171 50 0 HGAARN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000003340528 568883735 /nfs/dbraw/zinc/88/37/35/568883735.db2.gz JSDBYYRACRTOOC-DJJJIMSYSA-N 0 0 400.862 3.184 50 0 HGAARN C[C@H](C(=O)c1ccc(Br)cc1)N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000003344555 568884309 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COC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000003370040 568889766 /nfs/dbraw/zinc/88/97/66/568889766.db2.gz SQLCHNGVICMTBF-IBGZPJMESA-N 0 0 417.259 3.203 50 0 HGAARN O=C(/C=C/c1ccccc1Cl)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003393546 568894955 /nfs/dbraw/zinc/89/49/55/568894955.db2.gz IGGIVJBRXADOJG-VMPITWQZSA-N 0 0 416.817 3.016 50 0 HGAARN CSCC[C@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)C1=O ZINC000003398584 568895795 /nfs/dbraw/zinc/89/57/95/568895795.db2.gz VWMXSZGVHYIXLH-HNAYVOBHSA-N 0 0 411.527 3.204 50 0 HGAARN COCCNC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 ZINC000003401684 568896690 /nfs/dbraw/zinc/89/66/90/568896690.db2.gz KMTIHHNPIJGWNU-UHFFFAOYSA-N 0 0 412.515 3.106 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 ZINC000003402819 568896753 /nfs/dbraw/zinc/89/67/53/568896753.db2.gz ZZVDWJBFUPJGDQ-UHFFFAOYSA-N 0 0 402.834 3.443 50 0 HGAARN COc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2Cl)cc(OC)c1OC ZINC000003415348 568898974 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C[C@H](OC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003450872 568905513 /nfs/dbraw/zinc/90/55/13/568905513.db2.gz PWZZIXVYFLKYJX-JTQLQIEISA-N 0 0 411.241 3.273 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000003453004 568906199 /nfs/dbraw/zinc/90/61/99/568906199.db2.gz LDFAIZBYWNBKIX-UHFFFAOYSA-N 0 0 409.822 3.170 50 0 HGAARN CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003461998 568907004 /nfs/dbraw/zinc/90/70/04/568907004.db2.gz KMSMTPMVYHDGGK-UHFFFAOYSA-N 0 0 404.488 3.478 50 0 HGAARN CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c1 ZINC000003461849 568907043 /nfs/dbraw/zinc/90/70/43/568907043.db2.gz QUSPIGJSAGNIEW-UHFFFAOYSA-N 0 0 409.211 3.342 50 0 HGAARN CC(=O)Nc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000003466396 568907318 /nfs/dbraw/zinc/90/73/18/568907318.db2.gz NLSLKIDUACFBFE-UHFFFAOYSA-N 0 0 409.269 3.468 50 0 HGAARN CCOc1ccc(C(=O)CCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000003477213 568908141 /nfs/dbraw/zinc/90/81/41/568908141.db2.gz 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/nfs/dbraw/zinc/91/52/15/568915215.db2.gz WIZARLDZNPYLKS-UHFFFAOYSA-N 0 0 406.935 3.366 50 0 HGAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000012698576 568917073 /nfs/dbraw/zinc/91/70/73/568917073.db2.gz KOOBMYBGIJNCIR-MRXNPFEDSA-N 0 0 419.481 3.144 50 0 HGAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O)c1ccccc1 ZINC000003610661 568919980 /nfs/dbraw/zinc/91/99/80/568919980.db2.gz ZWXYCNISVYACOS-GYCJOSAFSA-N 0 0 401.466 3.484 50 0 HGAARN COc1ccc2c(C)c(CCC(=O)NCc3ccc(N4CCCC4)nc3)c(=O)oc2c1 ZINC000031316076 568923001 /nfs/dbraw/zinc/92/30/01/568923001.db2.gz BNYLVDJQQMSLDB-UHFFFAOYSA-N 0 0 421.497 3.354 50 0 HGAARN Cc1ccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c(Br)c1 ZINC000003660511 568923579 /nfs/dbraw/zinc/92/35/79/568923579.db2.gz IFFPFEUHPLEOOZ-UHFFFAOYSA-N 0 0 402.248 3.167 50 0 HGAARN Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)c1 ZINC000012734368 568923641 /nfs/dbraw/zinc/92/36/41/568923641.db2.gz YEFKHAYYCCEDAS-QGZVFWFLSA-N 0 0 412.453 3.022 50 0 HGAARN COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000031337537 568924340 /nfs/dbraw/zinc/92/43/40/568924340.db2.gz UIUUBOGBJAPBAB-OAQYLSRUSA-N 0 0 407.470 3.230 50 0 HGAARN O=C1NC2(CCC3(CC2)NC(=O)N(c2ccc(Cl)cc2)N3)NN1c1ccccc1 ZINC000001391990 568924528 /nfs/dbraw/zinc/92/45/28/568924528.db2.gz MIBXRLODKCZQAY-UHFFFAOYSA-N 0 0 412.881 3.075 50 0 HGAARN O=C(c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O)N1CCOCC1 ZINC000001394298 568925734 /nfs/dbraw/zinc/92/57/34/568925734.db2.gz UOEDZBVXLDYOEV-UHFFFAOYSA-N 0 0 400.784 3.041 50 0 HGAARN CCOC(=O)[C@@H]1C(=O)NC(c2ccccc2)=N[C@H]1c1ccc(Br)cc1 ZINC000001404399 568927715 /nfs/dbraw/zinc/92/77/15/568927715.db2.gz CEQPDYMVXMLBRY-HOTGVXAUSA-N 0 0 401.260 3.246 50 0 HGAARN O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000031534301 568927749 /nfs/dbraw/zinc/92/77/49/568927749.db2.gz AUAXQBBYVBAVNK-UHFFFAOYSA-N 0 0 416.934 3.032 50 0 HGAARN Cc1ccc(-c2nc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)cs2)cc1 ZINC000025882717 568928206 /nfs/dbraw/zinc/92/82/06/568928206.db2.gz JIXHFUBKWQYJCW-UHFFFAOYSA-N 0 0 421.569 3.360 50 0 HGAARN Cc1cccc(C)c1NC(=O)CNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000012741674 568929739 /nfs/dbraw/zinc/92/97/39/568929739.db2.gz RVGQMHRLBDDKRS-UHFFFAOYSA-N 0 0 409.530 3.476 50 0 HGAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1 ZINC000016626896 568929963 /nfs/dbraw/zinc/92/99/63/568929963.db2.gz UVHXVZJTPUAAKT-UHFFFAOYSA-N 0 0 422.572 3.091 50 0 HGAARN Cc1nc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)sc1SCC(N)=O ZINC000031797547 568931393 /nfs/dbraw/zinc/93/13/93/568931393.db2.gz RSZQBHJNTFCDMY-UHFFFAOYSA-N 0 0 406.533 3.266 50 0 HGAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(COC)s3)c(Cl)cc12 ZINC000031806841 568931646 /nfs/dbraw/zinc/93/16/46/568931646.db2.gz GEQOTHGVRKOKGO-UHFFFAOYSA-N 0 0 423.878 3.414 50 0 HGAARN CCn1cc(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Br)c2C)cn1 ZINC000002781475 568932178 /nfs/dbraw/zinc/93/21/78/568932178.db2.gz CIXJRSKWGIPVHQ-UHFFFAOYSA-N 0 0 422.249 3.238 50 0 HGAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccccn4)c12)OC(C)(C)CC3 ZINC000004000454 568932524 /nfs/dbraw/zinc/93/25/24/568932524.db2.gz DPKLZDZMJVAYFY-UHFFFAOYSA-N 0 0 408.454 3.295 50 0 biogenic HGAARN Cc1oc(C(=O)O[C@@H](C)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 ZINC000084028435 568933251 /nfs/dbraw/zinc/93/32/51/568933251.db2.gz FPISSTQKFINZTH-LBPRGKRZSA-N 0 0 407.444 3.019 50 0 HGAARN CC(C)c1ccc(-c2nnn(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000012747386 568933405 /nfs/dbraw/zinc/93/34/05/568933405.db2.gz MDQCEMYLLQEUFY-HNNXBMFYSA-N 0 0 407.474 3.112 50 0 HGAARN CC(C)COc1ccccc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000004029301 568934252 /nfs/dbraw/zinc/93/42/52/568934252.db2.gz UZPCXNBVGBXTQH-ZMIKWESLSA-N 0 0 421.490 3.056 50 0 biogenic HGAARN COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3C2(C)C)C1=O ZINC000004029400 568934365 /nfs/dbraw/zinc/93/43/65/568934365.db2.gz SLSNOOHRUPNMQP-IBGZPJMESA-N 0 0 403.482 3.207 50 0 biogenic HGAARN COc1cc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc(OC)c1OC ZINC000004032897 568934872 /nfs/dbraw/zinc/93/48/72/568934872.db2.gz VXDLMBZDHAMDFH-UHFFFAOYSA-N 0 0 410.470 3.143 50 0 HGAARN CCOc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(C)=O ZINC000004036253 568935430 /nfs/dbraw/zinc/93/54/30/568935430.db2.gz UAVGJKOKNFCDEE-LJQANCHMSA-N 0 0 401.488 3.154 50 0 HGAARN CCCCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCC)C2)cc1 ZINC000004712137 568937113 /nfs/dbraw/zinc/93/71/13/568937113.db2.gz ZXQQNGPKSBRKTN-MJGOQNOKSA-N 0 0 410.580 3.495 50 0 HGAARN Cc1ccc(CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2cccc(C)c2)cc1 ZINC000004061369 568937146 /nfs/dbraw/zinc/93/71/46/568937146.db2.gz OHHKVKPQSDWIQF-UHFFFAOYSA-N 0 0 419.510 3.144 50 0 HGAARN COc1cccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1 ZINC000001421382 568938234 /nfs/dbraw/zinc/93/82/34/568938234.db2.gz DXKUKULLZKVENQ-FQEVSTJZSA-N 0 0 404.470 3.083 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c(OC)c1 ZINC000004077997 568938663 /nfs/dbraw/zinc/93/86/63/568938663.db2.gz JQXWYJCUDRTLMO-SFHVURJKSA-N 0 0 422.478 3.025 50 0 HGAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)C(C)C)s2)cc1 ZINC000004077860 568938716 /nfs/dbraw/zinc/93/87/16/568938716.db2.gz AJISIPLFPXLZTO-UHFFFAOYSA-N 0 0 408.505 3.040 50 0 HGAARN COc1ccccc1[C@H]1CN2C(=O)CN(C3CC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000004082859 568939387 /nfs/dbraw/zinc/93/93/87/568939387.db2.gz VVTHISBCHDXPHR-CJAUYULYSA-N 0 0 415.493 3.370 50 0 biogenic HGAARN CSc1ccccc1NC(=O)Cn1nc(C)c(I)c1C ZINC000001430672 568940036 /nfs/dbraw/zinc/94/00/36/568940036.db2.gz PAAHVMGVVBCZLV-UHFFFAOYSA-N 0 0 401.273 3.465 50 0 HGAARN CCCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 ZINC000004086666 568940451 /nfs/dbraw/zinc/94/04/51/568940451.db2.gz AGWDZNGIHFAGLE-UHFFFAOYSA-N 0 0 412.562 3.077 50 0 HGAARN CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000001432851 568941225 /nfs/dbraw/zinc/94/12/25/568941225.db2.gz NSZAEZZSGZUIEL-OAQYLSRUSA-N 0 0 408.454 3.368 50 0 HGAARN Cc1ccc(S(=O)(=O)NCCC(=O)OC[C@@H]2CCN(c3ccccc3)C2)cc1C ZINC000084180890 568941926 /nfs/dbraw/zinc/94/19/26/568941926.db2.gz RHZFQXRZTVIEOW-LJQANCHMSA-N 0 0 416.543 3.042 50 0 HGAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012755181 568942686 /nfs/dbraw/zinc/94/26/86/568942686.db2.gz LITPLVCDTIKKFZ-GASCZTMLSA-N 0 0 406.479 3.184 50 0 HGAARN Cc1ccccc1C(=O)N(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012757388 568942998 /nfs/dbraw/zinc/94/29/98/568942998.db2.gz CISUXBDGJSDJBS-UHFFFAOYSA-N 0 0 420.513 3.168 50 0 HGAARN CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012756944 568944263 /nfs/dbraw/zinc/94/42/63/568944263.db2.gz WDJAHKFRZXRTLV-UHFFFAOYSA-N 0 0 412.555 3.235 50 0 HGAARN Cc1ccccc1CN1CCN(C(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000084243918 568944751 /nfs/dbraw/zinc/94/47/51/568944751.db2.gz ZZDQKCUOPFEDEA-OAQYLSRUSA-N 0 0 410.539 3.361 50 0 HGAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 ZINC000004122661 568944952 /nfs/dbraw/zinc/94/49/52/568944952.db2.gz UXLMKCMXCUZHGS-UHFFFAOYSA-N 0 0 401.488 3.425 50 0 HGAARN Cc1ccccc1CSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004139188 568946007 /nfs/dbraw/zinc/94/60/07/568946007.db2.gz SJOASJLLICKEAO-UHFFFAOYSA-N 0 0 410.524 3.356 50 0 HGAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(Cl)c1 ZINC000012763483 568947064 /nfs/dbraw/zinc/94/70/64/568947064.db2.gz RKGWBXNHZNNNBN-HNNXBMFYSA-N 0 0 408.907 3.358 50 0 HGAARN CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 ZINC000004162614 568947501 /nfs/dbraw/zinc/94/75/01/568947501.db2.gz VVBKWGCXTDLOEN-UHFFFAOYSA-N 0 0 414.512 3.104 50 0 HGAARN O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCc1ccc(F)cc1 ZINC000004164581 568947718 /nfs/dbraw/zinc/94/77/18/568947718.db2.gz JNALAMIRKVUPDP-UHFFFAOYSA-N 0 0 411.437 3.478 50 0 HGAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 ZINC000012765482 568948139 /nfs/dbraw/zinc/94/81/39/568948139.db2.gz FSZVJKORMXTIRN-HKUYNNGSSA-N 0 0 421.497 3.207 50 0 HGAARN O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)c1cnc2n(c1=O)CCS2 ZINC000084392690 568948436 /nfs/dbraw/zinc/94/84/36/568948436.db2.gz SRTARRGFRRGARZ-HNNXBMFYSA-N 0 0 420.332 3.383 50 0 HGAARN COc1ccc(Nc2nc(N=NC(C)c3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000004179306 568949231 /nfs/dbraw/zinc/94/92/31/568949231.db2.gz YAQGRMVBKHVNDE-UHFFFAOYSA-N 0 0 419.489 3.297 50 0 HGAARN Cc1ccc(N2C(=O)[C@@H](C)NC2=S)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000015569900 568950700 /nfs/dbraw/zinc/95/07/00/568950700.db2.gz UIABAWXKQVYLJS-LLVKDONJSA-N 0 0 409.920 3.059 50 0 HGAARN O=C(CCn1nnc2ccccc2c1=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000084587472 568951447 /nfs/dbraw/zinc/95/14/47/568951447.db2.gz NZYVFHJAWAQNPU-GOSISDBHSA-N 0 0 403.442 3.077 50 0 HGAARN CS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)c1 ZINC000670461598 568951542 /nfs/dbraw/zinc/95/15/42/568951542.db2.gz XQGICRBUROXXAE-OAQYLSRUSA-N 0 0 400.544 3.437 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3C)CC2)cc1 ZINC000004217995 568952089 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CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3nc4ccc(C)cc4s3)n21 ZINC000004250231 568954444 /nfs/dbraw/zinc/95/44/44/568954444.db2.gz IGCGQDJUAAOBFO-UHFFFAOYSA-N 0 0 414.516 3.019 50 0 HGAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCC(=O)NCc1ccco1 ZINC000012776573 568955007 /nfs/dbraw/zinc/95/50/07/568955007.db2.gz TXWDVSJFCXSBHS-UHFFFAOYSA-N 0 0 419.890 3.323 50 0 HGAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccco4)o3)cc2)CC1 ZINC000004264614 568956058 /nfs/dbraw/zinc/95/60/58/568956058.db2.gz DRSSQMHVFMJIIS-UHFFFAOYSA-N 0 0 416.459 3.003 50 0 HGAARN O=C(Nc1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000004264597 568956072 /nfs/dbraw/zinc/95/60/72/568956072.db2.gz PJOZXSZHJNCPHH-UHFFFAOYSA-N 0 0 416.459 3.147 50 0 HGAARN CNC(=O)[C@H](C)SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 ZINC000012779590 568956687 /nfs/dbraw/zinc/95/66/87/568956687.db2.gz WCCSPZHDEALGGB-CCNLRRDASA-N 0 0 409.511 3.302 50 0 HGAARN Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1I ZINC000012779671 568956689 /nfs/dbraw/zinc/95/66/89/568956689.db2.gz 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ZINC000012781990 568958238 /nfs/dbraw/zinc/95/82/38/568958238.db2.gz BFMGXHDGBUTGIO-MRXNPFEDSA-N 0 0 415.559 3.266 50 0 HGAARN CCN(C(=O)c1cccc(OCC(F)(F)F)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000084761228 568958363 /nfs/dbraw/zinc/95/83/63/568958363.db2.gz HNOUESLGBNHIJK-UHFFFAOYSA-N 0 0 403.401 3.104 50 0 HGAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc(OC)c3)c2C(=O)OC)C1 ZINC000004280332 568958651 /nfs/dbraw/zinc/95/86/51/568958651.db2.gz RLZDLEJFLLERSY-UHFFFAOYSA-N 0 0 418.471 3.310 50 0 HGAARN CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@H](C[C@H](C)O)c2ccccc2)cc1 ZINC000084771021 568958769 /nfs/dbraw/zinc/95/87/69/568958769.db2.gz SROHYENHVGFKTM-PXNSSMCTSA-N 0 0 418.559 3.002 50 0 HGAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)o2)cc1 ZINC000004288463 568959347 /nfs/dbraw/zinc/95/93/47/568959347.db2.gz RJNYAXOIJKULKN-GFCCVEGCSA-N 0 0 404.492 3.384 50 0 HGAARN CCN(CC)C(=O)CSc1nnc([C@H](CCSC)NC(=O)OC(C)(C)C)o1 ZINC000004296001 568959906 /nfs/dbraw/zinc/95/99/06/568959906.db2.gz OFZVXBHQRSTPJD-LBPRGKRZSA-N 0 0 418.585 3.349 50 0 HGAARN CCOc1ccc(NCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000084810931 568960678 /nfs/dbraw/zinc/96/06/78/568960678.db2.gz CUBCYANJVMAGCC-UHFFFAOYSA-N 0 0 403.548 3.418 50 0 HGAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000004306706 568960676 /nfs/dbraw/zinc/96/06/76/568960676.db2.gz RQGXWCKVPFLGPY-XMMPIXPASA-N 0 0 419.456 3.105 50 0 HGAARN CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccc(OC)cc2)c1=O ZINC000004316106 568961914 /nfs/dbraw/zinc/96/19/14/568961914.db2.gz LWSTXSFBIRUYCJ-UHFFFAOYSA-N 0 0 421.453 3.357 50 0 HGAARN CC(C)Cn1c2nnc(CCCC(=O)NCc3ccccc3)n2c2ccsc2c1=O ZINC000004316593 568962480 /nfs/dbraw/zinc/96/24/80/568962480.db2.gz AGIJCRGFWJBLLV-UHFFFAOYSA-N 0 0 423.542 3.401 50 0 HGAARN COc1ccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c(OC)c1 ZINC000004318632 568962917 /nfs/dbraw/zinc/96/29/17/568962917.db2.gz LJHIYKFZCHZYIM-NTCPEWOASA-N 0 0 405.479 3.195 50 0 HGAARN Cc1ccc2onc(CC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000015675111 568963214 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CSCC[C@@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nnc2ccccn21 ZINC000575443959 569028524 /nfs/dbraw/zinc/02/85/24/569028524.db2.gz CZQHMJOUCKUWLV-QGZVFWFLSA-N 0 0 413.547 3.037 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000016084004 569028648 /nfs/dbraw/zinc/02/86/48/569028648.db2.gz OEPCNVIUOYYREW-UHFFFAOYSA-N 0 0 422.934 3.487 50 0 HGAARN COC(=O)C[C@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000016139496 569029424 /nfs/dbraw/zinc/02/94/24/569029424.db2.gz ZFFAAMIAKSJHPY-OALUTQOASA-N 0 0 402.878 3.328 50 0 HGAARN COc1ccccc1N1CCN(c2cc(C)nc3nc(-c4ccccc4)nn32)CC1 ZINC000016283427 569030417 /nfs/dbraw/zinc/03/04/17/569030417.db2.gz LNKSNLFWRCVZAS-UHFFFAOYSA-N 0 0 400.486 3.435 50 0 HGAARN Cc1cc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)nc(C)n1 ZINC000575607228 569032111 /nfs/dbraw/zinc/03/21/11/569032111.db2.gz AXBDDVXEECSTAD-OAHLLOKOSA-N 0 0 415.437 3.344 50 0 HGAARN O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccccc1Br ZINC000575610793 569032395 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COc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)c1 ZINC000035598114 569045861 /nfs/dbraw/zinc/04/58/61/569045861.db2.gz BBZGQWUCOMTIHY-UHFFFAOYSA-N 0 0 422.470 3.215 50 0 HGAARN COc1ccccc1[C@H](CC(=O)NCCN1CCOCC1)c1cn(C)c2ccccc12 ZINC000035579722 569046124 /nfs/dbraw/zinc/04/61/24/569046124.db2.gz UULOYZKSJBYLIB-NRFANRHFSA-N 0 0 421.541 3.157 50 0 HGAARN COc1cccc(C(=O)Nc2nnc(Cc3ccc(S(=O)(=O)C(C)C)cc3)o2)c1 ZINC000035588410 569046214 /nfs/dbraw/zinc/04/62/14/569046214.db2.gz NQTKBJOSVAPLBD-UHFFFAOYSA-N 0 0 415.471 3.103 50 0 HGAARN COc1ccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCC2)cc1OC ZINC000035622793 569046654 /nfs/dbraw/zinc/04/66/54/569046654.db2.gz BSIDVHHVEYQKII-UHFFFAOYSA-N 0 0 423.473 3.332 50 0 HGAARN Cn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1nc2ccccc2n1C ZINC000006402123 569046764 /nfs/dbraw/zinc/04/67/64/569046764.db2.gz PNUBMQXCLWMWJX-UHFFFAOYSA-N 0 0 402.174 3.340 50 0 HGAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000017916080 569047087 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CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000089270060 569053833 /nfs/dbraw/zinc/05/38/33/569053833.db2.gz ACBQSCDHNSSQGW-UHFFFAOYSA-N 0 0 424.522 3.385 50 0 HGAARN CCOC(=O)N1CCC(NC(=O)[C@H](NC(=O)[C@@H]2CCCC[C@H]2C)[C@H](C)CC)CC1 ZINC000239184810 569054025 /nfs/dbraw/zinc/05/40/25/569054025.db2.gz QZYPVAKZQWHBPA-PSBWJHGTSA-N 0 0 409.571 3.081 50 0 HGAARN CSCC[C@H]1NC(=O)N(CN2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000239338783 569054218 /nfs/dbraw/zinc/05/42/18/569054218.db2.gz LFHAOFCCCYHKFQ-CJNGLKHVSA-N 0 0 407.586 3.388 50 0 HGAARN O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239347281 569054245 /nfs/dbraw/zinc/05/42/45/569054245.db2.gz MQGMAMITYMZION-UXHICEINSA-N 0 0 421.497 3.105 50 0 HGAARN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCCN2CCOCC2)[C@H]1C ZINC000241644577 569054844 /nfs/dbraw/zinc/05/48/44/569054844.db2.gz PRWBCGNKRFMUQI-HBFSDRIKSA-N 0 0 417.550 3.084 50 0 HGAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000089355980 569058633 /nfs/dbraw/zinc/05/86/33/569058633.db2.gz BOWONGWULFUORW-UHFFFAOYSA-N 0 0 423.460 3.281 50 0 HGAARN Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001910804 569058852 /nfs/dbraw/zinc/05/88/52/569058852.db2.gz ODUNPSXOFKJRNP-LJQANCHMSA-N 0 0 408.454 3.188 50 0 HGAARN COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000089404688 569059350 /nfs/dbraw/zinc/05/93/50/569059350.db2.gz MSQJSJUBINSEGE-UHFFFAOYSA-N 0 0 417.417 3.500 50 0 HGAARN Cc1cccc(NC(=O)[C@H](C)OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1C ZINC000001984665 569060085 /nfs/dbraw/zinc/06/00/85/569060085.db2.gz OBKPZEBQUXKDFH-INIZCTEOSA-N 0 0 408.454 3.250 50 0 HGAARN COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cccc4ccccc43)C2)cc1 ZINC000089453886 569060620 /nfs/dbraw/zinc/06/06/20/569060620.db2.gz UEAITARKWZUPIP-UHFFFAOYSA-N 0 0 411.483 3.043 50 0 HGAARN COCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccc3c(c2)OCO3)cc1 ZINC000035806914 569060775 /nfs/dbraw/zinc/06/07/75/569060775.db2.gz CYNMZMWOUFABRK-UHFFFAOYSA-N 0 0 424.457 3.283 50 0 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423.425 3.101 50 0 HGAARN COc1ccc([C@H](C)NC(=O)C2CCN(c3cncnc3N3CCCC3)CC2)cc1 ZINC000065226407 569199820 /nfs/dbraw/zinc/19/98/20/569199820.db2.gz VXDCNQHASRWEIN-KRWDZBQOSA-N 0 0 409.534 3.179 50 0 HGAARN CCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O ZINC000065230096 569200632 /nfs/dbraw/zinc/20/06/32/569200632.db2.gz PXBZWHMCAXCJHP-UHFFFAOYSA-N 0 0 411.527 3.362 50 0 HGAARN COc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000007015044 569200879 /nfs/dbraw/zinc/20/08/79/569200879.db2.gz MOLAZBBLMYUCJX-UHFFFAOYSA-N 0 0 415.449 3.129 50 0 HGAARN CCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccc(F)cc2N3C)cc1 ZINC000065235405 569202314 /nfs/dbraw/zinc/20/23/14/569202314.db2.gz QBILUMLHMRABNP-UHFFFAOYSA-N 0 0 412.465 3.428 50 0 biogenic HGAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCC(C)CC5)n4)ccn3n2)cc1 ZINC000065235795 569202510 /nfs/dbraw/zinc/20/25/10/569202510.db2.gz HCFWUCFHVTZWJF-UHFFFAOYSA-N 0 0 418.501 3.135 50 0 HGAARN CC[C@H]1CCCCN1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235945 569202586 /nfs/dbraw/zinc/20/25/86/569202586.db2.gz KRINSYFFWQSDSX-SFHVURJKSA-N 0 0 418.501 3.359 50 0 HGAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000036579807 569202642 /nfs/dbraw/zinc/20/26/42/569202642.db2.gz SQOPRNAXDWZKHQ-PBQZTSCYSA-N 0 0 422.888 3.447 50 0 HGAARN C=C1C(N2CCC(NC(=O)C3CCCCC3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239106 569203098 /nfs/dbraw/zinc/20/30/98/569203098.db2.gz KQFMETKMIYACPZ-UHFFFAOYSA-N 0 0 415.559 3.320 50 0 HGAARN C=C1C(N2CCC(NC(=O)c3ccc(C)cc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239144 569203141 /nfs/dbraw/zinc/20/31/41/569203141.db2.gz RDKKJJWIWGXSSE-UHFFFAOYSA-N 0 0 423.538 3.362 50 0 HGAARN C=C1C(N2CCCN(C(=O)C(C)(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239451 569203339 /nfs/dbraw/zinc/20/33/39/569203339.db2.gz OSHPBXSAWMNDMF-UHFFFAOYSA-N 0 0 403.548 3.048 50 0 HGAARN CC(=O)Nc1cccc(C(=O)N2CCN(c3ccc(-c4nc(C)cs4)cn3)CC2)c1 ZINC000065240707 569203738 /nfs/dbraw/zinc/20/37/38/569203738.db2.gz OSWAQYGVMKJPNA-UHFFFAOYSA-N 0 0 421.526 3.434 50 0 HGAARN O=C(Cn1c(=O)c2cc(-c3ccco3)nn2c2ncccc21)Nc1ccc(F)cc1 ZINC000065240269 569203811 /nfs/dbraw/zinc/20/38/11/569203811.db2.gz IVBQKUWBUHIUMV-UHFFFAOYSA-N 0 0 403.373 3.082 50 0 HGAARN Cc1csc(-c2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)nc2)n1 ZINC000065240744 569203832 /nfs/dbraw/zinc/20/38/32/569203832.db2.gz IZRKMMLBYQBERI-UHFFFAOYSA-N 0 0 412.490 3.380 50 0 HGAARN C[C@@H](c1ccccc1)N1C(=O)N[C@H](CCC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000036593294 569204301 /nfs/dbraw/zinc/20/43/01/569204301.db2.gz MNNANYTVBNVIPD-WMLDXEAASA-N 0 0 409.442 3.063 50 0 HGAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C(C)C)o4)o3)CC2)c1 ZINC000065246317 569205574 /nfs/dbraw/zinc/20/55/74/569205574.db2.gz JHVSZARDGKYLGF-UHFFFAOYSA-N 0 0 416.503 3.272 50 0 HGAARN CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)o1 ZINC000065246594 569205679 /nfs/dbraw/zinc/20/56/79/569205679.db2.gz CMYNLLIHPSQORV-UHFFFAOYSA-N 0 0 408.524 3.092 50 0 HGAARN CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2)o1 ZINC000065246602 569205709 /nfs/dbraw/zinc/20/57/09/569205709.db2.gz GFMWNQVQBXHJBL-UHFFFAOYSA-N 0 0 420.466 3.103 50 0 HGAARN Cc1nc(-c2noc(-c3cccnc3)n2)cn1CC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000065250314 569206128 /nfs/dbraw/zinc/20/61/28/569206128.db2.gz WBODFRKUBQNTNN-OAHLLOKOSA-N 0 0 402.458 3.489 50 0 HGAARN O=C(NCc1ccccc1F)c1cn(-c2cc(-c3nc(C4CC4)no3)ccn2)cn1 ZINC000065250961 569206436 /nfs/dbraw/zinc/20/64/36/569206436.db2.gz GZQQASGSXSZFER-UHFFFAOYSA-N 0 0 404.405 3.264 50 0 HGAARN Cc1cccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)c1 ZINC000065251120 569206488 /nfs/dbraw/zinc/20/64/88/569206488.db2.gz QDOGECXIKCCGRV-UHFFFAOYSA-N 0 0 400.442 3.433 50 0 HGAARN Cc1noc(-c2ccc(-n3cnc(C(=O)NCCc4ccc(Cl)cc4)c3)nc2)n1 ZINC000065251067 569206534 /nfs/dbraw/zinc/20/65/34/569206534.db2.gz XYFXOBXHOKDCFD-UHFFFAOYSA-N 0 0 408.849 3.252 50 0 HGAARN Cc1c(C(=O)N2CCSCC2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC000065251342 569206614 /nfs/dbraw/zinc/20/66/14/569206614.db2.gz VIIFGKBASYHKFV-UHFFFAOYSA-N 0 0 412.519 3.112 50 0 HGAARN CCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cnn(C(F)F)c1C ZINC000036614711 569206745 /nfs/dbraw/zinc/20/67/45/569206745.db2.gz AIEICDSWDYFDIO-UHFFFAOYSA-N 0 0 411.434 3.238 50 0 HGAARN COc1cccc(-c2cc(C(=O)N[C@H](C)Cn3ccc(C)n3)c3c(C)nn(C)c3n2)c1 ZINC000036615816 569207053 /nfs/dbraw/zinc/20/70/53/569207053.db2.gz RFZLNNFWGNPYIH-OAHLLOKOSA-N 0 0 418.501 3.276 50 0 HGAARN CCn1ccc(-c2cc(C(=O)N[C@H](C)c3c(C)nn(C)c3C)c3c(C)noc3n2)n1 ZINC000036617985 569209747 /nfs/dbraw/zinc/20/97/47/569209747.db2.gz NNNOZFCATBSPEQ-LLVKDONJSA-N 0 0 407.478 3.256 50 0 HGAARN CCc1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 ZINC000065258007 569209870 /nfs/dbraw/zinc/20/98/70/569209870.db2.gz MWUFIKULAALABF-UHFFFAOYSA-N 0 0 420.517 3.113 50 0 HGAARN CCc1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC000065258016 569209930 /nfs/dbraw/zinc/20/99/30/569209930.db2.gz CLACZFCAKLECLX-UHFFFAOYSA-N 0 0 413.428 3.325 50 0 HGAARN O=C(NCc1ccco1)[C@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259857 569210770 /nfs/dbraw/zinc/21/07/70/569210770.db2.gz GEAUDQMIESGWSG-MRXNPFEDSA-N 0 0 408.545 3.229 50 0 biogenic HGAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 ZINC000007046109 569211069 /nfs/dbraw/zinc/21/10/69/569211069.db2.gz STQZKQPRMZKJNW-QWHCGFSZSA-N 0 0 419.528 3.200 50 0 HGAARN O=C(c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCN(c2ccccc2)CC1 ZINC000013147458 569211669 /nfs/dbraw/zinc/21/16/69/569211669.db2.gz UGTDTSSKFQDGKQ-VXKWHMMOSA-N 0 0 415.493 3.105 50 0 aggregator HGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1c[nH]c2ccc(F)cc12 ZINC000524732491 569213235 /nfs/dbraw/zinc/21/32/35/569213235.db2.gz IOUNTCGRCGFHJN-NYDSKATKSA-N 0 0 407.445 3.076 50 0 HGAARN Cc1ccc(C)c(OCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000007059724 569214606 /nfs/dbraw/zinc/21/46/06/569214606.db2.gz IDCHXKHZOWZVJA-UHFFFAOYSA-N 0 0 402.516 3.496 50 0 HGAARN COc1cccc(N2CCN(C(=O)c3cn4ccnc(-c5ccccc5)c4n3)CC2)c1 ZINC000065274332 569215093 /nfs/dbraw/zinc/21/50/93/569215093.db2.gz FLQCYQTYTYIBOV-UHFFFAOYSA-N 0 0 413.481 3.367 50 0 HGAARN CN1CCN(C(=O)C2CCN(c3nc4ccc(-c5ccccc5)nc4s3)CC2)CC1 ZINC000065272077 569215580 /nfs/dbraw/zinc/21/55/80/569215580.db2.gz RMYFBPKXDVYFHV-UHFFFAOYSA-N 0 0 421.570 3.349 50 0 HGAARN O=C(Cc1cccnc1)Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1 ZINC000065272424 569215748 /nfs/dbraw/zinc/21/57/48/569215748.db2.gz QIBWXONJNFCZIY-UHFFFAOYSA-N 0 0 405.433 3.239 50 0 HGAARN CC(C)Cn1c(=O)c(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2cccnc21 ZINC000065282873 569216398 /nfs/dbraw/zinc/21/63/98/569216398.db2.gz PDAUQRPDHSUJGE-UHFFFAOYSA-N 0 0 404.392 3.396 50 0 HGAARN CCn1c(CNC(C)=O)nc2c1CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2 ZINC000065284629 569216693 /nfs/dbraw/zinc/21/66/93/569216693.db2.gz SFDALXITVVNAGZ-UHFFFAOYSA-N 0 0 409.412 3.148 50 0 HGAARN CCNC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000007088528 569217634 /nfs/dbraw/zinc/21/76/34/569217634.db2.gz AZSDJYLZTBMZET-HNNXBMFYSA-N 0 0 409.438 3.362 50 0 HGAARN Cc1oc2c(c1C(=O)NCCCN1CCCC1=O)CN(Cc1ccc(C)cc1)CC2 ZINC000065289675 569217983 /nfs/dbraw/zinc/21/79/83/569217983.db2.gz XQTLQTLUSONRSP-UHFFFAOYSA-N 0 0 409.530 3.197 50 0 HGAARN COc1ccc(CN2CCc3oc(C)c(C(=O)N(C)Cc4cn(C)nc4C)c3C2)cc1 ZINC000065289729 569217992 /nfs/dbraw/zinc/21/79/92/569217992.db2.gz MJJLDXYWMHBTFD-UHFFFAOYSA-N 0 0 422.529 3.469 50 0 HGAARN CCCn1c2ccccc2n2nc(C(=O)N3CCN(c4ccccc4)CC3)cc2c1=O ZINC000065292324 569218177 /nfs/dbraw/zinc/21/81/77/569218177.db2.gz QKDRQPBZSXSADI-UHFFFAOYSA-N 0 0 415.497 3.022 50 0 HGAARN CCN(C(=O)c1cc2c(=O)n(CCOC)c3ccccc3n2n1)c1ccccc1C ZINC000065292469 569218277 /nfs/dbraw/zinc/21/82/77/569218277.db2.gz OVEGHCOZKQOFFU-UHFFFAOYSA-N 0 0 404.470 3.271 50 0 HGAARN Cc1ccccc1C(=O)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293330 569218408 /nfs/dbraw/zinc/21/84/08/569218408.db2.gz YULRPMGOSYOGFC-QFIPXVFZSA-N 0 0 409.505 3.083 50 0 HGAARN CCN(CC)C(=O)c1nc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)oc1C ZINC000065293899 569218527 /nfs/dbraw/zinc/21/85/27/569218527.db2.gz GRUJMJOYBIIDQT-UHFFFAOYSA-N 0 0 420.318 3.250 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3cc(F)ccc3C)c(=O)n2c(Nc2ccccc2)n1 ZINC000065307771 569219839 /nfs/dbraw/zinc/21/98/39/569219839.db2.gz CVWZTSSSTOWWMS-UHFFFAOYSA-N 0 0 406.421 3.029 50 0 HGAARN Cc1cc(C)c2c(n1)nc(C(=O)N[C@@H](C)c1ccccn1)nc2N1CCSCC1 ZINC000065307652 569219843 /nfs/dbraw/zinc/21/98/43/569219843.db2.gz XITLQCIOCMQHPW-HNNXBMFYSA-N 0 0 408.531 3.081 50 0 HGAARN Cc1cc2nn(CC(=O)Nc3ccccc3F)c(=O)n2c(Nc2ccc(C)c(C)c2)n1 ZINC000065307878 569219938 /nfs/dbraw/zinc/21/99/38/569219938.db2.gz RQGKCTWLPSOBLB-UHFFFAOYSA-N 0 0 420.448 3.338 50 0 HGAARN Cc1cc2nn(CC(=O)N(C)c3ccccc3)c(=O)n2c(Nc2ccc(C)c(F)c2)n1 ZINC000065307860 569219940 /nfs/dbraw/zinc/21/99/40/569219940.db2.gz GVHZNFRMJCVBGW-UHFFFAOYSA-N 0 0 420.448 3.054 50 0 HGAARN CSc1ccc(NC(=O)CN2c3ccc(F)cc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000065306845 569220802 /nfs/dbraw/zinc/22/08/02/569220802.db2.gz YFMAGISGQARWCG-GOSISDBHSA-N 0 0 413.474 3.138 50 0 HGAARN CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)C1 ZINC000065315507 569221735 /nfs/dbraw/zinc/22/17/35/569221735.db2.gz XMVUPUUVKKFBCC-HNNXBMFYSA-N 0 0 401.511 3.131 50 0 HGAARN CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)C1 ZINC000065315540 569221837 /nfs/dbraw/zinc/22/18/37/569221837.db2.gz HQLGHYAYVYZFGL-CQSZACIVSA-N 0 0 413.453 3.460 50 0 HGAARN Cc1cccc(CNC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)c1 ZINC000065314029 569223125 /nfs/dbraw/zinc/22/31/25/569223125.db2.gz VJBMVJWPNDNMTF-JOCHJYFZSA-N 0 0 416.525 3.133 50 0 HGAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NCc3cccnc3)sc12 ZINC000065314367 569223194 /nfs/dbraw/zinc/22/31/94/569223194.db2.gz AZMYVWPINBVPII-UHFFFAOYSA-N 0 0 406.515 3.246 50 0 HGAARN CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000065322190 569224434 /nfs/dbraw/zinc/22/44/34/569224434.db2.gz CHTHAEIRZULSTG-UHFFFAOYSA-N 0 0 423.517 3.202 50 0 HGAARN Cn1cc(CN2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c2ccccc21 ZINC000065330087 569224962 /nfs/dbraw/zinc/22/49/62/569224962.db2.gz KOGOWMDNBHGWLC-UHFFFAOYSA-N 0 0 401.466 3.243 50 0 HGAARN Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1Cc1ccccc1 ZINC000007155471 569225893 /nfs/dbraw/zinc/22/58/93/569225893.db2.gz JEQWKMIKKYLIOE-UHFFFAOYSA-N 0 0 408.479 3.181 50 0 HGAARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCc2nnc(C)o2)cc1OC ZINC000007183269 569227763 /nfs/dbraw/zinc/22/77/63/569227763.db2.gz BHORMKAGHFQZAJ-UHFFFAOYSA-N 0 0 403.416 3.066 50 0 HGAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)COc1ccccc1F ZINC000007195859 569228234 /nfs/dbraw/zinc/22/82/34/569228234.db2.gz AWRYUBGQFVBZIP-IBGZPJMESA-N 0 0 420.440 3.061 50 0 HGAARN O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000007214272 569229020 /nfs/dbraw/zinc/22/90/20/569229020.db2.gz FGLIAIYYMQOJPG-UHFFFAOYSA-N 0 0 400.500 3.117 50 0 HGAARN CN(CCCNC(=O)CSc1nnnn1-c1cccc(Cl)c1)c1ccccc1 ZINC000007246519 569230081 /nfs/dbraw/zinc/23/00/81/569230081.db2.gz TXRQULSPBDNJLS-UHFFFAOYSA-N 0 0 416.938 3.051 50 0 HGAARN CCNc1nnc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)s1 ZINC000007249411 569230416 /nfs/dbraw/zinc/23/04/16/569230416.db2.gz WXOCFBOTZYRXSF-UHFFFAOYSA-N 0 0 417.516 3.224 50 0 HGAARN CN(C)S(=O)(=O)c1ccc2oc(SCCOC(=O)c3ccccc3)nc2c1 ZINC000007254456 569230589 /nfs/dbraw/zinc/23/05/89/569230589.db2.gz ASTMSLSYLFXILE-UHFFFAOYSA-N 0 0 406.485 3.027 50 0 HGAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000007267275 569230995 /nfs/dbraw/zinc/23/09/95/569230995.db2.gz BVLSHSSQQCUNIU-GFCCVEGCSA-N 0 0 408.271 3.486 50 0 HGAARN O=C(c1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000007284899 569232003 /nfs/dbraw/zinc/23/20/03/569232003.db2.gz SZWQGZDCNDQPNV-UHFFFAOYSA-N 0 0 419.506 3.468 50 0 HGAARN CN(Cc1cccc(Cl)c1)C(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000007292727 569232482 /nfs/dbraw/zinc/23/24/82/569232482.db2.gz KHXAPYUMAYAATQ-QGZVFWFLSA-N 0 0 418.902 3.345 50 0 HGAARN C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@H](c2ccccc2)O1 ZINC000065514518 569233257 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CCOC(=O)c1oc2ccccc2c1COC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000007427027 569238427 /nfs/dbraw/zinc/23/84/27/569238427.db2.gz NNTRNVDBEAFWPC-UHFFFAOYSA-N 0 0 406.394 3.213 50 0 HGAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccccc1OC ZINC000007439488 569239003 /nfs/dbraw/zinc/23/90/03/569239003.db2.gz IDFUMZHUBLUOAT-UHFFFAOYSA-N 0 0 411.410 3.091 50 0 HGAARN COc1cccc(C(=O)OCCCOC(=O)c2cccc(OC)c2OC)c1OC ZINC000007442446 569239129 /nfs/dbraw/zinc/23/91/29/569239129.db2.gz HFTXOVWKPNXDKX-UHFFFAOYSA-N 0 0 404.415 3.125 50 0 HGAARN COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000007455860 569239620 /nfs/dbraw/zinc/23/96/20/569239620.db2.gz VBFQDVBELVELHK-UHFFFAOYSA-N 0 0 405.332 3.392 50 0 HGAARN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(CCc4cccnc4)cc3)cc2c(=O)[nH]1 ZINC000240068072 569239894 /nfs/dbraw/zinc/23/98/94/569239894.db2.gz SHQGKGAURGQGAF-UHFFFAOYSA-N 0 0 422.466 3.022 50 0 HGAARN O=C(c1ccccc1)N1CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)CC1 ZINC000170592824 569241091 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COc1ccc(C(=O)N2C[C@H](C)N(C(=O)c3ccc(OC)cc3F)[C@@H](C)C2)c(F)c1 ZINC000170610435 569245316 /nfs/dbraw/zinc/24/53/16/569245316.db2.gz AXEACVXVOQJBDU-KBPBESRZSA-N 0 0 418.440 3.357 50 0 HGAARN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1COCCN1C1CCCC1 ZINC000170610264 569245596 /nfs/dbraw/zinc/24/55/96/569245596.db2.gz SKVPUYJNJJHKBU-FQEVSTJZSA-N 0 0 406.954 3.148 50 0 HGAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc(-n2ccnc2C)ccn1 ZINC000170611441 569245711 /nfs/dbraw/zinc/24/57/11/569245711.db2.gz GFULMDUBWKQQNB-DEOSSOPVSA-N 0 0 418.497 3.356 50 0 HGAARN CCNC(=O)N1CCC(N(CCOc2ccccc2F)CC(=O)OC(C)(C)C)CC1 ZINC000170618063 569247882 /nfs/dbraw/zinc/24/78/82/569247882.db2.gz SIAGGSZRMMDEGF-UHFFFAOYSA-N 0 0 423.529 3.042 50 0 HGAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1ccccc1F ZINC000007545362 569248700 /nfs/dbraw/zinc/24/87/00/569248700.db2.gz NIJGWJCFMNKPTE-UHFFFAOYSA-N 0 0 418.534 3.292 50 0 HGAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000007550784 569249024 /nfs/dbraw/zinc/24/90/24/569249024.db2.gz AEVDDHORLFLHKV-UHFFFAOYSA-N 0 0 400.504 3.360 50 0 HGAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)N(C)[C@@H]3CCCc4ccccc43)c(=O)c21 ZINC000007554261 569249097 /nfs/dbraw/zinc/24/90/97/569249097.db2.gz QRCUNLRGRJUEII-QGZVFWFLSA-N 0 0 423.469 3.011 50 0 HGAARN COC(=O)COc1ccc2occ(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000170622164 569249194 /nfs/dbraw/zinc/24/91/94/569249194.db2.gz LLYWFPBBFDGVGF-UHFFFAOYSA-N 0 0 400.383 3.241 50 0 HGAARN Cn1ccc2cc(NC(=O)CC[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)ccc21 ZINC000170625642 569250237 /nfs/dbraw/zinc/25/02/37/569250237.db2.gz AKGFAVVPVFVHPP-IBGZPJMESA-N 0 0 404.470 3.060 50 0 biogenic HGAARN CCOC(=O)C[C@H](c1cccc(OC2CCCC2)c1)c1oc(CO)cc(=O)c1O ZINC000071284017 569251966 /nfs/dbraw/zinc/25/19/66/569251966.db2.gz NYOPSMLTPQDWSZ-GOSISDBHSA-N 0 0 402.443 3.244 50 0 HGAARN Cc1nnnn1-c1cccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000071284924 569252136 /nfs/dbraw/zinc/25/21/36/569252136.db2.gz FDLQPPUPBXZURU-UHFFFAOYSA-N 0 0 417.300 3.240 50 0 HGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3ccn4C)n2)cc1OC ZINC000071287593 569252417 /nfs/dbraw/zinc/25/24/17/569252417.db2.gz MCBYCJYCUMLZMZ-UHFFFAOYSA-N 0 0 418.453 3.058 50 0 HGAARN COCCn1ccc2c1cccc2NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000071288903 569252504 /nfs/dbraw/zinc/25/25/04/569252504.db2.gz UNEZWBLLNJIYOV-UHFFFAOYSA-N 0 0 402.454 3.150 50 0 HGAARN O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010217659 569253569 /nfs/dbraw/zinc/25/35/69/569253569.db2.gz NOASXQZYBPTTMW-UHFFFAOYSA-N 0 0 407.542 3.397 50 0 HGAARN COc1ccc(S(=O)(=O)CC(=O)Nc2ccc3nc(SC)sc3c2)cc1 ZINC000010219266 569253776 /nfs/dbraw/zinc/25/37/76/569253776.db2.gz FQDFDLQJUQUDDY-UHFFFAOYSA-N 0 0 408.526 3.439 50 0 HGAARN COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000010219279 569253786 /nfs/dbraw/zinc/25/37/86/569253786.db2.gz IEXPQSCFSANIGV-UHFFFAOYSA-N 0 0 418.496 3.240 50 0 HGAARN Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc3nsnc3c2)CC1 ZINC000013324540 569255015 /nfs/dbraw/zinc/25/50/15/569255015.db2.gz 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ZINC000014148801 569258757 /nfs/dbraw/zinc/25/87/57/569258757.db2.gz QXQWJJLUJHFXDU-UHFFFAOYSA-N 0 0 405.414 3.132 50 0 HGAARN Cc1oncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000014220290 569259042 /nfs/dbraw/zinc/25/90/42/569259042.db2.gz NNDXIQSDWKDARI-UHFFFAOYSA-N 0 0 417.531 3.177 50 0 HGAARN Cc1ccc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(Br)c1 ZINC000014372038 569259698 /nfs/dbraw/zinc/25/96/98/569259698.db2.gz PWVZYVJOMBOASA-UHFFFAOYSA-N 0 0 422.304 3.093 50 0 HGAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000014596292 569260568 /nfs/dbraw/zinc/26/05/68/569260568.db2.gz CHJQYWKHLPDZLJ-UHFFFAOYSA-N 0 0 421.375 3.079 50 0 HGAARN CCCn1c2ccccc2nc1NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000014626144 569260857 /nfs/dbraw/zinc/26/08/57/569260857.db2.gz WIYSZKFEISLHSS-ZDUSSCGKSA-N 0 0 401.492 3.442 50 0 HGAARN COCCOc1cccc(C(=O)N[C@H](C)[C@@H](O)c2ccc(Br)cc2)c1 ZINC000089598496 569261027 /nfs/dbraw/zinc/26/10/27/569261027.db2.gz MSLQUCMTPWAJFO-FZKQIMNGSA-N 0 0 408.292 3.326 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCSc3ccccc3)CC2)cc1C ZINC000089643253 569261663 /nfs/dbraw/zinc/26/16/63/569261663.db2.gz MORHXNQPUBAQRY-UHFFFAOYSA-N 0 0 418.584 3.319 50 0 HGAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000089661975 569262061 /nfs/dbraw/zinc/26/20/61/569262061.db2.gz YBHVRCIUSFTNIF-JKSUJKDBSA-N 0 0 421.563 3.116 50 0 HGAARN Cn1cc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000089749768 569263381 /nfs/dbraw/zinc/26/33/81/569263381.db2.gz CFJJWKBGBOIGPK-UHFFFAOYSA-N 0 0 414.387 3.168 50 0 HGAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000089767970 569263642 /nfs/dbraw/zinc/26/36/42/569263642.db2.gz BVMRCBNCWZOCOE-JTQLQIEISA-N 0 0 413.783 3.248 50 0 HGAARN COc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)cc1 ZINC000016838525 569264068 /nfs/dbraw/zinc/26/40/68/569264068.db2.gz ZGGJGENPWYYOCV-CQSZACIVSA-N 0 0 409.417 3.159 50 0 HGAARN Cc1cccc(-c2noc(CSc3n[nH]c(=O)c4cc(-c5ccco5)nn43)n2)c1 ZINC000016844163 569264904 /nfs/dbraw/zinc/26/49/04/569264904.db2.gz ZWDMAJHZHHKYKX-UHFFFAOYSA-N 0 0 406.427 3.328 50 0 HGAARN COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1OC ZINC000016845644 569265089 /nfs/dbraw/zinc/26/50/89/569265089.db2.gz WHLFWTKXSAUFSV-UHFFFAOYSA-N 0 0 404.426 3.334 50 0 HGAARN CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000016850376 569265928 /nfs/dbraw/zinc/26/59/28/569265928.db2.gz HGZOVQCOUIBREV-UHFFFAOYSA-N 0 0 419.503 3.288 50 0 HGAARN CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCCS1(=O)=O ZINC000089791123 569266300 /nfs/dbraw/zinc/26/63/00/569266300.db2.gz IDGUAUOGZNXVBS-SFHVURJKSA-N 0 0 407.467 3.012 50 0 HGAARN O=C(N[C@H](Cc1c[nH]cn1)Cc1ccccc1)c1cccc(OCC(F)(F)F)n1 ZINC000089830165 569266886 /nfs/dbraw/zinc/26/68/86/569266886.db2.gz NGEPGICWHZZWRW-HNNXBMFYSA-N 0 0 404.392 3.330 50 0 HGAARN c1csc(-c2nc(CN3CCN(Cc4nnc(Cc5ccccc5)o4)CC3)no2)c1 ZINC000089840367 569267007 /nfs/dbraw/zinc/26/70/07/569267007.db2.gz KETDWLLCIRFINE-UHFFFAOYSA-N 0 0 422.514 3.090 50 0 HGAARN CSc1ccc(CC(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)cc1 ZINC000016913858 569267205 /nfs/dbraw/zinc/26/72/05/569267205.db2.gz DLBVFMQKTFTCOR-UHFFFAOYSA-N 0 0 421.569 3.450 50 0 HGAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc(OC)c1 ZINC000089929835 569268866 /nfs/dbraw/zinc/26/88/66/569268866.db2.gz YZYLNCCZVCOIHH-HNNXBMFYSA-N 0 0 418.515 3.377 50 0 HGAARN CC[C@@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000089947882 569269492 /nfs/dbraw/zinc/26/94/92/569269492.db2.gz SPINRIQTSYQHHG-SFHVURJKSA-N 0 0 419.499 3.097 50 0 HGAARN COc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCOCC2)cc1Cl ZINC000016974445 569269571 /nfs/dbraw/zinc/26/95/71/569269571.db2.gz OXUDPAONPDYSTG-UHFFFAOYSA-N 0 0 402.878 3.152 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000016974598 569269763 /nfs/dbraw/zinc/26/97/63/569269763.db2.gz IRYDHJBHEONGJD-UHFFFAOYSA-N 0 0 402.878 3.152 50 0 HGAARN Cc1cc(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)ccc1Br ZINC000017011095 569271409 /nfs/dbraw/zinc/27/14/09/569271409.db2.gz MTLVCQJYEKMTKP-UHFFFAOYSA-N 0 0 421.316 3.394 50 0 HGAARN Cc1ccc(NC(=O)C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000017120971 569275094 /nfs/dbraw/zinc/27/50/94/569275094.db2.gz DQACSSAWCJIFCV-OAQYLSRUSA-N 0 0 413.493 3.043 50 0 HGAARN Cc1nn(C(=O)c2ccccc2C)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000017135888 569275301 /nfs/dbraw/zinc/27/53/01/569275301.db2.gz LYZFXOLKALNKON-UHFFFAOYSA-N 0 0 409.511 3.244 50 0 HGAARN S=C(NC[C@@H](c1cccnc1)N1CCOCC1)Nc1ccc(Br)cc1 ZINC000017169536 569276101 /nfs/dbraw/zinc/27/61/01/569276101.db2.gz RWLHEFINWMGZIV-KRWDZBQOSA-N 0 0 421.364 3.204 50 0 HGAARN COc1ccc(CCNC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1 ZINC000001060773 569277099 /nfs/dbraw/zinc/27/70/99/569277099.db2.gz OUNLHRSNISQLKM-UHFFFAOYSA-N 0 0 424.291 3.456 50 0 HGAARN CS(=O)(=O)Oc1c(Cl)cc(Cl)cc1/C=C1/N=C(c2ccco2)OC1=O ZINC000002822270 569278029 /nfs/dbraw/zinc/27/80/29/569278029.db2.gz DICGDVSOLFMDMT-IZZDOVSWSA-N 0 0 402.211 3.269 50 0 HGAARN COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000002871939 569278322 /nfs/dbraw/zinc/27/83/22/569278322.db2.gz SDNWNBWHOSOZSW-LJQANCHMSA-N 0 0 421.375 3.057 50 0 HGAARN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000170637281 569279812 /nfs/dbraw/zinc/27/98/12/569279812.db2.gz YHEHDMXAWFSXLY-GQIGUUNPSA-N 0 0 416.499 3.182 50 0 HGAARN CCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002087463 569279898 /nfs/dbraw/zinc/27/98/98/569279898.db2.gz BCTINLARZZWKRE-KWXDATOUSA-N 0 0 421.490 3.201 50 0 HGAARN CC(C)(C)c1ccc(C(=O)NC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000002087613 569279910 /nfs/dbraw/zinc/27/99/10/569279910.db2.gz NOPQEASANCFPLL-DOTOQJQBSA-N 0 0 409.555 3.280 50 0 biogenic HGAARN Cn1cc([C@@](C)(O)CNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cn1 ZINC000170638217 569280231 /nfs/dbraw/zinc/28/02/31/569280231.db2.gz IXXUEOAOYMITLZ-KRWDZBQOSA-N 0 0 411.314 3.488 50 0 HGAARN COc1ccc(C)cc1N1C[C@H](C(=O)N2CCO[C@H](c3ccccc3C)C2)CC1=O ZINC000170639085 569281248 /nfs/dbraw/zinc/28/12/48/569281248.db2.gz QQWSADGQXNOTTE-GCJKJVERSA-N 0 0 408.498 3.265 50 0 HGAARN CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cnccn1 ZINC000002522458 569282888 /nfs/dbraw/zinc/28/28/88/569282888.db2.gz WIHAZZJSQFCUBB-UHFFFAOYSA-N 0 0 419.308 3.248 50 0 HGAARN CS(=O)(=O)c1ccc([C@@H](C[C@@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl ZINC000038939677 569283142 /nfs/dbraw/zinc/28/31/42/569283142.db2.gz XEANIURBPHCHMG-IUODEOHRSA-N 0 0 421.906 3.015 50 0 HGAARN COC(=O)c1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000002109268 569283821 /nfs/dbraw/zinc/28/38/21/569283821.db2.gz ALUTZOPMFWCTSC-UHFFFAOYSA-N 0 0 407.426 3.014 50 0 biogenic HGAARN COc1cc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc(OC)c1 ZINC000002111192 569283991 /nfs/dbraw/zinc/28/39/91/569283991.db2.gz LLJZUULOYFJLAQ-UHFFFAOYSA-N 0 0 409.442 3.244 50 0 biogenic HGAARN CC(C)C[C@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 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Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c(C)c1 ZINC000007938662 569385116 /nfs/dbraw/zinc/38/51/16/569385116.db2.gz KUZFPMNKMOFJKW-QFIPXVFZSA-N 0 0 415.440 3.007 50 0 HGAARN CC(C)Cc1ccc(CC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 ZINC000055122838 569389976 /nfs/dbraw/zinc/38/99/76/569389976.db2.gz JZIGNDWKPYLFQL-UHFFFAOYSA-N 0 0 409.530 3.337 50 0 HGAARN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000055131917 569390218 /nfs/dbraw/zinc/39/02/18/569390218.db2.gz YGIPDTOIXGAOIL-KRWDZBQOSA-N 0 0 408.470 3.242 50 0 HGAARN CC[C@H](NC(=O)Cn1c2ccccc2nc1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000027709200 569391199 /nfs/dbraw/zinc/39/11/99/569391199.db2.gz AJLVYEYWQQZSEF-HNNXBMFYSA-N 0 0 405.907 3.361 50 0 HGAARN COc1ccc(Br)cc1S(=O)(=O)n1nc(C)c(Br)c1C ZINC000027755572 569393113 /nfs/dbraw/zinc/39/31/13/569393113.db2.gz CHZNEGMAWODAHC-UHFFFAOYSA-N 0 0 424.114 3.271 50 0 HGAARN Cc1cccc(NC(=O)CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c1C ZINC000002391896 569394003 /nfs/dbraw/zinc/39/40/03/569394003.db2.gz 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ZINC000013692429 558574006 /nfs/dbraw/zinc/57/40/06/558574006.db2.gz DIBPCRRARNQICT-AWEZNQCLSA-N 0 0 416.890 3.210 50 0 HGAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O ZINC000023761664 558574379 /nfs/dbraw/zinc/57/43/79/558574379.db2.gz FOJJNTRBGAQTTR-KOSHJBKYSA-N 0 0 423.561 3.458 50 0 HGAARN O=c1c(Cl)c(NCc2ccccc2CN2CCOCC2)cnn1-c1ccccc1 ZINC000023763721 558575220 /nfs/dbraw/zinc/57/52/20/558575220.db2.gz RJHMPJTXPRDUSU-UHFFFAOYSA-N 0 0 410.905 3.330 50 0 HGAARN COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)N(C)C ZINC000023794666 558576011 /nfs/dbraw/zinc/57/60/11/558576011.db2.gz INWUAVHQKSRWJQ-INIZCTEOSA-N 0 0 400.862 3.488 50 0 HGAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cc12 ZINC000023907987 558580930 /nfs/dbraw/zinc/58/09/30/558580930.db2.gz XFRDRJIZUXJOCG-SFHVURJKSA-N 0 0 410.543 3.332 50 0 HGAARN COc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)o2)cc1 ZINC000023908889 558581429 /nfs/dbraw/zinc/58/14/29/558581429.db2.gz JERSGWDFJIKBBP-HSZRJFAPSA-N 0 0 418.453 3.201 50 0 HGAARN O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2ccccc2)cs1 ZINC000023936253 558581849 /nfs/dbraw/zinc/58/18/49/558581849.db2.gz VTCFNQVTQSCPRD-UHFFFAOYSA-N 0 0 418.522 3.401 50 0 HGAARN CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccc(F)cc4)c(CC)nn32)c1N ZINC000013720844 558581871 /nfs/dbraw/zinc/58/18/71/558581871.db2.gz YXRCDBREOHFRHL-UHFFFAOYSA-N 0 0 408.437 3.351 50 0 HGAARN COc1cc(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)ccc1OC(F)F ZINC000023953191 558582174 /nfs/dbraw/zinc/58/21/74/558582174.db2.gz QZAFJRICZROHKY-AWEZNQCLSA-N 0 0 422.403 3.148 50 0 HGAARN O=C(c1ccc(CN2CCCC2=O)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023990124 558583849 /nfs/dbraw/zinc/58/38/49/558583849.db2.gz GEFPMYORKKVFKC-UHFFFAOYSA-N 0 0 417.962 3.482 50 0 HGAARN Cc1csc(CC(=O)N2CCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)n1 ZINC000023994732 558583957 /nfs/dbraw/zinc/58/39/57/558583957.db2.gz ONSGRAYCYZPQRR-UHFFFAOYSA-N 0 0 421.950 3.153 50 0 HGAARN COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(OC)c1 ZINC000023995645 558584280 /nfs/dbraw/zinc/58/42/80/558584280.db2.gz WTGMMGOYFAFHPR-ZDUSSCGKSA-N 0 0 403.818 3.094 50 0 HGAARN COc1cc(OC)cc([C@H](NC(=O)Cc2noc3ccccc23)c2nccn2C)c1 ZINC000024023712 558584862 /nfs/dbraw/zinc/58/48/62/558584862.db2.gz XKZRZZVWSWIUBD-NRFANRHFSA-N 0 0 406.442 3.027 50 0 HGAARN COc1ccc([C@H](NC(=O)c2ccc3c(c2)NC(=O)CCS3)c2nccn2C)cc1 ZINC000024025744 558585136 /nfs/dbraw/zinc/58/51/36/558585136.db2.gz DBRHCONGGSRRTR-FQEVSTJZSA-N 0 0 422.510 3.382 50 0 HGAARN COc1ccc([C@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2nccn2C)cc1 ZINC000024025197 558585163 /nfs/dbraw/zinc/58/51/63/558585163.db2.gz DUZWQBFCZXZUKW-ICSRJNTNSA-N 0 0 422.510 3.137 50 0 HGAARN COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000013734296 558587915 /nfs/dbraw/zinc/58/79/15/558587915.db2.gz BMYKYDVBZRYMPC-KRWDZBQOSA-N 0 0 411.483 3.171 50 0 HGAARN Cc1ccccc1[C@H](OC[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000024094627 558588950 /nfs/dbraw/zinc/58/89/50/558588950.db2.gz RVBAJRSJRVRAJT-PZJWPPBQSA-N 0 0 408.498 3.327 50 0 HGAARN COc1ccccc1/C=C/C=c1\sc2nc(-c3ccc(OC)c(OC)c3)nn2c1=O ZINC000013749073 558589153 /nfs/dbraw/zinc/58/91/53/558589153.db2.gz TXUNEOAPGSWZIV-YZFGBBDKSA-N 0 0 421.478 3.057 50 0 HGAARN CCOc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OCC ZINC000013748230 558589208 /nfs/dbraw/zinc/58/92/08/558589208.db2.gz MKVVAPDTMCKIBN-PDGQHHTCSA-N 0 0 411.458 3.302 50 0 HGAARN COc1cc(C(=O)NCC(=O)NCc2ccco2)cc(Cl)c1OCCC(C)C ZINC000024180645 558591194 /nfs/dbraw/zinc/59/11/94/558591194.db2.gz XSCNYMIKGVXUKQ-UHFFFAOYSA-N 0 0 408.882 3.413 50 0 HGAARN O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000024193287 558591663 /nfs/dbraw/zinc/59/16/63/558591663.db2.gz PYDDNIWCPKKOEO-SFHVURJKSA-N 0 0 415.342 3.345 50 0 HGAARN O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1cccs1 ZINC000024221193 558592577 /nfs/dbraw/zinc/59/25/77/558592577.db2.gz LDTZNEBNRMZDMA-UHFFFAOYSA-N 0 0 421.588 3.084 50 0 HGAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024301478 558594465 /nfs/dbraw/zinc/59/44/65/558594465.db2.gz NOXDIJMLRVITOJ-UHFFFAOYSA-N 0 0 406.404 3.478 50 0 HGAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1OC ZINC000013801745 558594728 /nfs/dbraw/zinc/59/47/28/558594728.db2.gz AHNGPAOYGCTCHK-XMHGGMMESA-N 0 0 422.510 3.338 50 0 HGAARN [NH3+][C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(=O)[O-] ZINC000013831242 558596552 /nfs/dbraw/zinc/59/65/52/558596552.db2.gz BNYDDAAZMBUFRG-ZDUSSCGKSA-N 0 0 415.190 3.260 50 0 in-vitro HGAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000024394766 558596965 /nfs/dbraw/zinc/59/69/65/558596965.db2.gz OTWAWDCAZMJOIL-QFIPXVFZSA-N 0 0 404.514 3.344 50 0 HGAARN COc1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2C(=O)N(C)C)cc1 ZINC000013844693 558597488 /nfs/dbraw/zinc/59/74/88/558597488.db2.gz UXBFTYQTKXXWIO-UZLBHIALSA-N 0 0 417.531 3.079 50 0 HGAARN CCc1c(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cnn1-c1ccccc1 ZINC000024457682 558598250 /nfs/dbraw/zinc/59/82/50/558598250.db2.gz BFHUFPLZUQGAGX-KRWDZBQOSA-N 0 0 400.486 3.497 50 0 HGAARN O=C(CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)NCc1ccco1 ZINC000024486552 558599045 /nfs/dbraw/zinc/59/90/45/558599045.db2.gz IUBNFVGMYPSWFX-UHFFFAOYSA-N 0 0 420.494 3.266 50 0 HGAARN CCOC(=O)c1ccoc1CN1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000024510585 558599727 /nfs/dbraw/zinc/59/97/27/558599727.db2.gz JEFBDLYZMQIVCQ-UHFFFAOYSA-N 0 0 418.515 3.194 50 0 HGAARN COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)cc1OC ZINC000013893492 558600028 /nfs/dbraw/zinc/60/00/28/558600028.db2.gz HWOLKTOIZQDVQX-NPPSCJOGSA-N 0 0 424.453 3.297 50 0 HGAARN Fc1ccc(-n2ncc3c2ncnc3NCc2ccccc2CN2CCOCC2)cc1 ZINC000024528782 558600235 /nfs/dbraw/zinc/60/02/35/558600235.db2.gz JOBHIOQHYOAAAE-UHFFFAOYSA-N 0 0 418.476 3.399 50 0 HGAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c1 ZINC000024609067 558603616 /nfs/dbraw/zinc/60/36/16/558603616.db2.gz ASIDUXFPLIDYOS-UHFFFAOYSA-N 0 0 414.527 3.378 50 0 HGAARN O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609991 558603901 /nfs/dbraw/zinc/60/39/01/558603901.db2.gz XEWVDNSNRWOZPH-UHFFFAOYSA-N 0 0 412.433 3.284 50 0 HGAARN COc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612934 558604979 /nfs/dbraw/zinc/60/49/79/558604979.db2.gz OBHIDDQKFKWMHH-UHFFFAOYSA-N 0 0 406.479 3.015 50 0 HGAARN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612657 558605035 /nfs/dbraw/zinc/60/50/35/558605035.db2.gz QLOAIIRTLBFVLV-UHFFFAOYSA-N 0 0 424.925 3.337 50 0 HGAARN CC(=O)Nc1nc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cs1 ZINC000024617489 558605380 /nfs/dbraw/zinc/60/53/80/558605380.db2.gz WREMRZZOFILVRW-UHFFFAOYSA-N 0 0 407.805 3.011 50 0 HGAARN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000013944826 558606488 /nfs/dbraw/zinc/60/64/88/558606488.db2.gz OMGDGHAVSXWOOS-KRWDZBQOSA-N 0 0 409.461 3.023 50 0 HGAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N1CCN(C)CC1 ZINC000013945790 558606888 /nfs/dbraw/zinc/60/68/88/558606888.db2.gz WSFKECQCMCYWFG-XMMPIXPASA-N 0 0 416.525 3.186 50 0 HGAARN Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1C ZINC000024738118 558609257 /nfs/dbraw/zinc/60/92/57/558609257.db2.gz UOMZEUZXOPXNTP-LJQANCHMSA-N 0 0 407.514 3.370 50 0 HGAARN Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1C ZINC000024738114 558609282 /nfs/dbraw/zinc/60/92/82/558609282.db2.gz UOMZEUZXOPXNTP-IBGZPJMESA-N 0 0 407.514 3.370 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)C[C@@H](C)O1 ZINC000024751103 558609929 /nfs/dbraw/zinc/60/99/29/558609929.db2.gz NOKASNUKCXZVPP-IAGOWNOFSA-N 0 0 406.548 3.105 50 0 HGAARN COc1cc2c(cc1OC)CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)CC2 ZINC000024767231 558611702 /nfs/dbraw/zinc/61/17/02/558611702.db2.gz ONJVYXZOSGCTMF-UHFFFAOYSA-N 0 0 417.405 3.349 50 0 HGAARN COc1ccc(N2C[C@@H](NC(=O)Cc3cccc4ccccc43)CC2=O)cc1OC ZINC000004497686 558611704 /nfs/dbraw/zinc/61/17/04/558611704.db2.gz UUTQWOJEWSJWCD-SFHVURJKSA-N 0 0 404.466 3.321 50 0 HGAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Br)cc3)C2=O)c1 ZINC000004498399 558611815 /nfs/dbraw/zinc/61/18/15/558611815.db2.gz XMVJAFISHVUHLZ-MHWRWJLKSA-N 0 0 414.259 3.289 50 0 HGAARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)C(=O)N1CCNC1=O ZINC000024773452 558612319 /nfs/dbraw/zinc/61/23/19/558612319.db2.gz AANWELSEXDDVDM-SNVBAGLBSA-N 0 0 400.426 3.498 50 0 HGAARN O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014015804 558613628 /nfs/dbraw/zinc/61/36/28/558613628.db2.gz YQHUOHVOPPLBMG-CYBMUJFWSA-N 0 0 419.503 3.475 50 0 HGAARN CCc1cccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3ccccc3CC)CC2=O)c1 ZINC000024841681 558617046 /nfs/dbraw/zinc/61/70/46/558617046.db2.gz XIQBDWJCHXNVKQ-LJQANCHMSA-N 0 0 407.514 3.261 50 0 HGAARN Cn1c(SCC(=O)N[C@H](c2ccco2)c2ccccc2)nnc1-c1ccncc1 ZINC000014068904 558617141 /nfs/dbraw/zinc/61/71/41/558617141.db2.gz OIPJYVUBOOBKRT-IBGZPJMESA-N 0 0 405.483 3.468 50 0 HGAARN COc1ccc(NC(=O)c2ccc(NC(=O)CNC(=O)c3ccccc3F)cc2)cc1 ZINC000014094310 558619305 /nfs/dbraw/zinc/61/93/05/558619305.db2.gz MVSKUEHJUPLIRB-UHFFFAOYSA-N 0 0 421.428 3.455 50 0 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/nfs/dbraw/zinc/44/67/46/568446746.db2.gz LFTRWCIQHXJCQW-UHFFFAOYSA-N 0 0 402.389 3.104 50 0 HGAARN CC(C)c1cccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)c1 ZINC000049400167 568447467 /nfs/dbraw/zinc/44/74/67/568447467.db2.gz BGNPGBUCDWRLSD-IAGOWNOFSA-N 0 0 422.533 3.135 50 0 HGAARN O=C(Cn1cnc2c(-c3ccncc3)nsc2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000049401653 568447842 /nfs/dbraw/zinc/44/78/42/568447842.db2.gz FNVFOEZPXXZCSU-UHFFFAOYSA-N 0 0 415.837 3.346 50 0 HGAARN O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1)c1ccc(F)c(F)c1 ZINC000049406750 568449044 /nfs/dbraw/zinc/44/90/44/568449044.db2.gz OTCMILZZVBKWJI-UHFFFAOYSA-N 0 0 410.424 3.390 50 0 HGAARN O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000049406601 568449076 /nfs/dbraw/zinc/44/90/76/568449076.db2.gz LRGQIDSYPZDNTN-UHFFFAOYSA-N 0 0 424.451 3.318 50 0 HGAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000049408448 568449336 /nfs/dbraw/zinc/44/93/36/568449336.db2.gz ZRRBRAHBDVNUIT-UHFFFAOYSA-N 0 0 400.410 3.403 50 0 HGAARN CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)Cc1ccc(Cl)cc1)CC2 ZINC000049410057 568449789 /nfs/dbraw/zinc/44/97/89/568449789.db2.gz RQTBHRWCNKBFCD-UHFFFAOYSA-N 0 0 401.869 3.220 50 0 HGAARN COCc1nnc(NC(=O)CCSc2ncnc3sc4c(c32)CCC4)s1 ZINC000049546083 568451315 /nfs/dbraw/zinc/45/13/15/568451315.db2.gz KEXCGDHBFBWCOW-UHFFFAOYSA-N 0 0 407.546 3.299 50 0 HGAARN COCc1nnc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2-n2cccc2)s1 ZINC000049547279 568451555 /nfs/dbraw/zinc/45/15/55/568451555.db2.gz IHYWTACIULRWNX-UHFFFAOYSA-N 0 0 416.413 3.191 50 0 HGAARN Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000113511832 568452839 /nfs/dbraw/zinc/45/28/39/568452839.db2.gz YDLUXEAXXBHFOV-CQSZACIVSA-N 0 0 424.263 3.298 50 0 HGAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nncn2-c2ccc(OC)cc2)c1C ZINC000005688913 568453806 /nfs/dbraw/zinc/45/38/06/568453806.db2.gz AJXYXMAXOCTZDG-UHFFFAOYSA-N 0 0 414.487 3.373 50 0 HGAARN CCOC(=O)C1=C(C)Oc2nc(N(C)C)nc(Cl)c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000632416 568456570 /nfs/dbraw/zinc/45/65/70/568456570.db2.gz REOGCHYXBRLYQW-OAHLLOKOSA-N 0 0 417.849 3.286 50 0 HGAARN CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)NCc1ccc(C)cc1 ZINC000012265874 568456934 /nfs/dbraw/zinc/45/69/34/568456934.db2.gz LUCWNHRKSWGANO-DEOSSOPVSA-N 0 0 405.498 3.390 50 0 HGAARN O=c1c2c3c(sc2nc(S[C@H]2CCCCNC2=O)n1Cc1ccco1)CCC3 ZINC000012271274 568457149 /nfs/dbraw/zinc/45/71/49/568457149.db2.gz VQUYXUBTUWKZQE-HNNXBMFYSA-N 0 0 415.540 3.349 50 0 HGAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000000648272 568457492 /nfs/dbraw/zinc/45/74/92/568457492.db2.gz LHCSFICOCMNJEJ-UHFFFAOYSA-N 0 0 401.271 3.430 50 0 HGAARN COc1ccc2cc(/C=C/C(=O)OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2c1 ZINC000006851744 568461584 /nfs/dbraw/zinc/46/15/84/568461584.db2.gz DIQNCTCLDCUIJR-YCRREMRBSA-N 0 0 417.421 3.213 50 0 HGAARN COc1ccc2cc(C(=O)NCCC(=O)NCCc3c[nH]c4ccccc34)[nH]c2c1 ZINC000012296826 568462543 /nfs/dbraw/zinc/46/25/43/568462543.db2.gz ODYZROVXXAPQTH-UHFFFAOYSA-N 0 0 404.470 3.137 50 0 biogenic HGAARN COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C ZINC000024828542 568469851 /nfs/dbraw/zinc/46/98/51/568469851.db2.gz JLDOOTFSWUFSDG-QRYOHXEKSA-N 0 0 402.491 3.048 50 0 HGAARN CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000024831706 568470017 /nfs/dbraw/zinc/47/00/17/568470017.db2.gz KPYCJAMYLKLMMP-AWEZNQCLSA-N 0 0 416.421 3.346 50 0 HGAARN CCOC(=O)N1CCC(NC(=O)Nc2ccc(N3CCSCC3)cc2C)CC1 ZINC000051673493 568470028 /nfs/dbraw/zinc/47/00/28/568470028.db2.gz UXUKPEDQDLXCNO-UHFFFAOYSA-N 0 0 406.552 3.291 50 0 HGAARN COc1ccc(C)cc1/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007061448 568470659 /nfs/dbraw/zinc/47/06/59/568470659.db2.gz OAHSQVXVKBSRHS-PKNBQFBNSA-N 0 0 400.500 3.440 50 0 HGAARN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 ZINC000012323097 568471245 /nfs/dbraw/zinc/47/12/45/568471245.db2.gz XOJVHZIHDQUXKG-KRWDZBQOSA-N 0 0 405.454 3.445 50 0 HGAARN O=C(NC[C@@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000780547 568474793 /nfs/dbraw/zinc/47/47/93/568474793.db2.gz WJORMUYJKBWZLY-REWPJTCUSA-N 0 0 410.539 3.412 50 0 HGAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000000789485 568478204 /nfs/dbraw/zinc/47/82/04/568478204.db2.gz LHKQHYYHQZEHTO-UHFFFAOYSA-N 0 0 400.500 3.237 50 0 HGAARN COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000000796497 568482116 /nfs/dbraw/zinc/48/21/16/568482116.db2.gz RCOZRIBJJQRJQM-SFHVURJKSA-N 0 0 413.492 3.288 50 0 HGAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)OCO3)c1cn(C)c3cccc(c13)N2 ZINC000604404797 568492444 /nfs/dbraw/zinc/49/24/44/568492444.db2.gz LFOHTKGNFCTYLX-HXUWFJFHSA-N 0 0 401.422 3.107 50 0 biogenic HGAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N1CCc2ccccc2C1 ZINC000604419528 568493192 /nfs/dbraw/zinc/49/31/92/568493192.db2.gz CSCHRWHXEHSLFO-XMMPIXPASA-N 0 0 423.472 3.386 50 0 HGAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3Cc3cccs3)c2C)no1 ZINC000008232463 568493648 /nfs/dbraw/zinc/49/36/48/568493648.db2.gz RRHRRCOOLKZGNL-UHFFFAOYSA-N 0 0 414.516 3.462 50 0 HGAARN COCCN(Cc1ccccc1)C(=O)CSc1nnc(C)n1Cc1ccccc1 ZINC000018486421 568501705 /nfs/dbraw/zinc/50/17/05/568501705.db2.gz LVUDFLPZLOIMGC-UHFFFAOYSA-N 0 0 410.543 3.402 50 0 HGAARN CSc1cccc(NC(=O)CSc2nc3cn(C)nc3c(=O)n2CC(C)C)c1 ZINC000033265272 568512250 /nfs/dbraw/zinc/51/22/50/568512250.db2.gz SHDYJUSDYWJEOD-UHFFFAOYSA-N 0 0 417.560 3.239 50 0 HGAARN CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccc(C)cc4)o3)CC2=O)cc1 ZINC000033291082 568512991 /nfs/dbraw/zinc/51/29/91/568512991.db2.gz IPHPDRUVUKUWNU-KRWDZBQOSA-N 0 0 420.469 3.478 50 0 HGAARN CCn1c2ccccc2n(CCC(=O)Nc2sc(C)c(C)c2C(=O)OC)c1=O ZINC000024693093 568513545 /nfs/dbraw/zinc/51/35/45/568513545.db2.gz FPUWJCGEHRHWJP-UHFFFAOYSA-N 0 0 401.488 3.317 50 0 HGAARN O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000024854203 568514193 /nfs/dbraw/zinc/51/41/93/568514193.db2.gz HGWZLBJEROGAEG-UHFFFAOYSA-N 0 0 409.483 3.081 50 0 HGAARN Cc1ccc([C@H]2C[C@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)[O-])=NC3=[NH+]2)cc1 ZINC000034118484 568530659 /nfs/dbraw/zinc/53/06/59/568530659.db2.gz QFBRPESVYFHLCU-RTBURBONSA-N 0 0 419.485 3.084 50 0 HGAARN CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000020215079 568594763 /nfs/dbraw/zinc/59/47/63/568594763.db2.gz UXUAPEKENVWKPX-UHFFFAOYSA-N 0 0 419.529 3.281 50 0 HGAARN Cc1oc(-c2cccc(C)c2)nc1CSCC(=O)NCCCN1CCOCC1 ZINC000020241302 568595935 /nfs/dbraw/zinc/59/59/35/568595935.db2.gz KKAUVGUSKYEFLG-UHFFFAOYSA-N 0 0 403.548 3.030 50 0 HGAARN O=C(c1ccco1)N1CCN(c2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020329974 568599212 /nfs/dbraw/zinc/59/92/12/568599212.db2.gz QIXCLFSJOLNPEG-UHFFFAOYSA-N 0 0 409.833 3.494 50 0 HGAARN Cc1ccc(C(=O)NCCC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c(O)c1 ZINC000095349005 568600406 /nfs/dbraw/zinc/60/04/06/568600406.db2.gz SUTXRJAUPGHEGZ-UHFFFAOYSA-N 0 0 423.444 3.463 50 0 HGAARN Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)c2c1 ZINC000020380803 568602500 /nfs/dbraw/zinc/60/25/00/568602500.db2.gz LHJSFVMNVSACCV-UHFFFAOYSA-N 0 0 409.511 3.078 50 0 HGAARN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccccc2OC)CC1 ZINC000095428461 568608322 /nfs/dbraw/zinc/60/83/22/568608322.db2.gz BFGPCKPUBGGZRM-IBGZPJMESA-N 0 0 417.893 3.412 50 0 HGAARN CS(=O)(=O)C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1 ZINC000095443189 568611034 /nfs/dbraw/zinc/61/10/34/568611034.db2.gz IXLDPINDJYOQLY-HNNXBMFYSA-N 0 0 407.435 3.178 50 0 HGAARN COc1cc2ncn(CCCC(=O)N(CC(F)F)CC3CCC3)c(=O)c2cc1OC ZINC000095445438 568611772 /nfs/dbraw/zinc/61/17/72/568611772.db2.gz WYGRRAWBGBOJKT-UHFFFAOYSA-N 0 0 423.460 3.088 50 0 HGAARN CCN(C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000095446994 568612178 /nfs/dbraw/zinc/61/21/78/568612178.db2.gz IYQQAHUDZBLHRI-FQEVSTJZSA-N 0 0 401.532 3.103 50 0 HGAARN COCCn1c(C(=O)N[C@@H](c2ncon2)c2ccc(F)c(F)c2)cc2ccccc21 ZINC000095452229 568615123 /nfs/dbraw/zinc/61/51/23/568615123.db2.gz REDNKVATJRMXKQ-LJQANCHMSA-N 0 0 412.396 3.468 50 0 HGAARN O=C(CCC(=O)c1ccccc1)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000040080624 568618284 /nfs/dbraw/zinc/61/82/84/568618284.db2.gz AKIVZEOKKROSIU-HXUWFJFHSA-N 0 0 400.906 3.493 50 0 HGAARN CC[C@@H](NC(=O)c1cccc(-c2nnc(CS(C)(=O)=O)o2)c1)c1cccs1 ZINC000095465187 568622998 /nfs/dbraw/zinc/62/29/98/568622998.db2.gz JTDMVWOUZUMDJL-CQSZACIVSA-N 0 0 405.501 3.224 50 0 HGAARN COc1ccccc1C(=O)NCCC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000095465878 568623981 /nfs/dbraw/zinc/62/39/81/568623981.db2.gz YAQCZLIVVHLPLV-SFHVURJKSA-N 0 0 408.420 3.495 50 0 HGAARN O=C(COC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)Nc1ccccc1Cl ZINC000095466475 568624271 /nfs/dbraw/zinc/62/42/71/568624271.db2.gz RXIFUAGXNQCXGX-SECBINFHSA-N 0 0 401.772 3.369 50 0 HGAARN O=C(OCc1nc(Cc2ccccc2)no1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000095466473 568624408 /nfs/dbraw/zinc/62/44/08/568624408.db2.gz GFOWKDUGWGOHMQ-GFCCVEGCSA-N 0 0 406.364 3.251 50 0 HGAARN CCOc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(CC)cc3)CC2)cc1 ZINC000095469751 568625905 /nfs/dbraw/zinc/62/59/05/568625905.db2.gz BBWCYPKHYCWCQC-UHFFFAOYSA-N 0 0 410.514 3.448 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000095471263 568626456 /nfs/dbraw/zinc/62/64/56/568626456.db2.gz UZIDLEUFBUUSMD-CYBMUJFWSA-N 0 0 417.893 3.452 50 0 HGAARN COc1ccc(-c2nc(C)c(C(=O)NCc3c(C)nn(C)c3C)s2)cc1OC ZINC000095472245 568627649 /nfs/dbraw/zinc/62/76/49/568627649.db2.gz GUYAEJQLVZHTJD-UHFFFAOYSA-N 0 0 400.504 3.416 50 0 HGAARN Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)n1 ZINC000095473018 568628301 /nfs/dbraw/zinc/62/83/01/568628301.db2.gz MNXRQMHIIGCSHU-SECBINFHSA-N 0 0 420.292 3.082 50 0 HGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nc3ccccc3s1)C=C2 ZINC000095473404 568628847 /nfs/dbraw/zinc/62/88/47/568628847.db2.gz WVENLYCBVWEDFH-UHFFFAOYSA-N 0 0 409.467 3.308 50 0 HGAARN COc1ccc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1Cl ZINC000095477424 568630957 /nfs/dbraw/zinc/63/09/57/568630957.db2.gz UJKZQKUCDBUXRD-UHFFFAOYSA-N 0 0 416.861 3.360 50 0 HGAARN COc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C)cc1 ZINC000095478708 568631889 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400.841 3.383 50 0 HGAARN COc1ccccc1NC(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 ZINC000263615681 568910509 /nfs/dbraw/zinc/91/05/09/568910509.db2.gz DQEHXAQADZVVJM-INIZCTEOSA-N 0 0 405.502 3.472 50 0 HGAARN COC(=O)c1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)ccc1Cl ZINC000031057784 568911235 /nfs/dbraw/zinc/91/12/35/568911235.db2.gz LLQLVQJOPDYKGU-QGZVFWFLSA-N 0 0 402.834 3.496 50 0 HGAARN Cc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000003523668 568912247 /nfs/dbraw/zinc/91/22/47/568912247.db2.gz LMGNUNBHPOVLCK-UHFFFAOYSA-N 0 0 407.513 3.271 50 0 HGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003532900 568913272 /nfs/dbraw/zinc/91/32/72/568913272.db2.gz AYRJCVVJVDMJDY-UHFFFAOYSA-N 0 0 422.934 3.031 50 0 HGAARN Cc1cccc(N2C(=O)C([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)C([O-])=NC2=S)c1 ZINC000001318071 568913991 /nfs/dbraw/zinc/91/39/91/568913991.db2.gz KJCATAWQFHHVIF-IBGZPJMESA-N 0 0 404.495 3.252 50 0 biogenic HGAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Oc3ccc4c(c3)OCO4)cc2)CC1 ZINC000003552244 568914954 /nfs/dbraw/zinc/91/49/54/568914954.db2.gz IENHAIDNAIRRLT-UHFFFAOYSA-N 0 0 403.456 3.055 50 0 HGAARN CNC(=O)NC(=O)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000003558308 568915643 /nfs/dbraw/zinc/91/56/43/568915643.db2.gz UNNAQKHKWFAGBI-KRWDZBQOSA-N 0 0 418.482 3.105 50 0 HGAARN Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000003561257 568915918 /nfs/dbraw/zinc/91/59/18/568915918.db2.gz JNWNAQGIFJDBLF-UHFFFAOYSA-N 0 0 402.516 3.392 50 0 HGAARN COC[C@H](C)n1c(SCCCn2c3ccccc3[nH]c2=O)nc2ccccc2c1=O ZINC000003568186 568916265 /nfs/dbraw/zinc/91/62/65/568916265.db2.gz VUQMUEQJLUZFOE-HNNXBMFYSA-N 0 0 424.526 3.429 50 0 HGAARN O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CC(=O)Nc2ccccc21 ZINC000012695928 568916464 /nfs/dbraw/zinc/91/64/64/568916464.db2.gz VBGIQXKILURZBL-UHFFFAOYSA-N 0 0 416.462 3.110 50 0 HGAARN CCOC(=O)c1ccsc1NC(=O)CN(CC)C[C@H]1COc2ccccc2O1 ZINC000031174537 568917132 /nfs/dbraw/zinc/91/71/32/568917132.db2.gz HFASGUQOQLVSLS-AWEZNQCLSA-N 0 0 404.488 3.025 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/nfs/dbraw/zinc/91/89/40/568918940.db2.gz PXLWLRYZKDEICE-UHFFFAOYSA-N 0 0 411.824 3.322 50 0 HGAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)C1 ZINC000003601091 568919240 /nfs/dbraw/zinc/91/92/40/568919240.db2.gz XENMPQYIRCWZAU-STQMWFEESA-N 0 0 405.589 3.470 50 0 HGAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccccc2C)cc1 ZINC000004166742 568919371 /nfs/dbraw/zinc/91/93/71/568919371.db2.gz XPJBZLKGHJJOLK-UHFFFAOYSA-N 0 0 406.471 3.258 50 0 HGAARN NC(=O)c1nc(-c2ccc(Cl)cc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 ZINC000004166806 568919393 /nfs/dbraw/zinc/91/93/93/568919393.db2.gz IEEPSWDLSSEEEA-UHFFFAOYSA-N 0 0 400.225 3.182 50 0 HGAARN O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000003606423 568919594 /nfs/dbraw/zinc/91/95/94/568919594.db2.gz IEUAISRQQREHKS-UHFFFAOYSA-N 0 0 401.426 3.259 50 0 HGAARN CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1C ZINC000031246154 568920476 /nfs/dbraw/zinc/92/04/76/568920476.db2.gz LBRCQSPSZVOMTO-UHFFFAOYSA-N 0 0 409.408 3.398 50 0 HGAARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003621600 568920653 /nfs/dbraw/zinc/92/06/53/568920653.db2.gz CKRZPIPTCGGBDJ-UHFFFAOYSA-N 0 0 414.469 3.020 50 0 HGAARN COc1ccc(NC(=O)c2sccc2-n2cccc2)cc1S(=O)(=O)N(C)C ZINC000012728090 568920830 /nfs/dbraw/zinc/92/08/30/568920830.db2.gz OJGPBCGXFJEACB-UHFFFAOYSA-N 0 0 405.501 3.050 50 0 HGAARN CCOCCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000003626108 568920870 /nfs/dbraw/zinc/92/08/70/568920870.db2.gz HLWZONXLWITICO-IBGZPJMESA-N 0 0 418.877 3.083 50 0 HGAARN CN(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000083864257 568921866 /nfs/dbraw/zinc/92/18/66/568921866.db2.gz JSYWUXQBRQCQJL-HXUWFJFHSA-N 0 0 402.516 3.249 50 0 HGAARN CC(C)CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012731160 568922596 /nfs/dbraw/zinc/92/25/96/568922596.db2.gz ZEWLGFHLQBXCLD-AWEZNQCLSA-N 0 0 402.507 3.306 50 0 HGAARN O=C1c2ccccc2C(=O)N1Cc1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000001399366 568926048 /nfs/dbraw/zinc/92/60/48/568926048.db2.gz UPCFJYFEIMDWFF-UHFFFAOYSA-N 0 0 404.495 3.266 50 0 HGAARN C[C@@H](Sc1cc(C(F)(F)F)nc2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000031424221 568926121 /nfs/dbraw/zinc/92/61/21/568926121.db2.gz IGEWCLFJFRBFKE-GHMZBOCLSA-N 0 0 418.462 3.038 50 0 HGAARN CNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000031487061 568926723 /nfs/dbraw/zinc/92/67/23/568926723.db2.gz IXDHZEMNDTVUGG-UHFFFAOYSA-N 0 0 407.923 3.491 50 0 HGAARN CN(Cc1ccccc1N1CCOCC1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000031507527 568927241 /nfs/dbraw/zinc/92/72/41/568927241.db2.gz ACAONCHCCUANLB-UHFFFAOYSA-N 0 0 417.550 3.129 50 0 HGAARN O=C(CNC(=O)c1ccc(Oc2cccc(Br)c2)nc1)N1CCCCC1 ZINC000053075409 568928183 /nfs/dbraw/zinc/92/81/83/568928183.db2.gz IMSYEZPSEPOVFF-UHFFFAOYSA-N 0 0 418.291 3.379 50 0 HGAARN O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1C[C@@H](O)c1ccccc1 ZINC000012742849 568929989 /nfs/dbraw/zinc/92/99/89/568929989.db2.gz GRDNXANOUOSXHQ-QGZVFWFLSA-N 0 0 400.360 3.335 50 0 HGAARN COC(=O)c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)cc(C(=O)OC)c1 ZINC000012746392 568932558 /nfs/dbraw/zinc/93/25/58/568932558.db2.gz LFEFTFGRCTUZOC-UHFFFAOYSA-N 0 0 411.439 3.339 50 0 HGAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)NCc4cccnc4)c12)OC(C)(C)CC3 ZINC000004000480 568932630 /nfs/dbraw/zinc/93/26/30/568932630.db2.gz UUMFHHHPSWLCAR-UHFFFAOYSA-N 0 0 408.454 3.295 50 0 biogenic HGAARN CCCCC(=O)OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c32)C1=O ZINC000004031758 568934719 /nfs/dbraw/zinc/93/47/19/568934719.db2.gz DJIGGSYEQZTPAJ-UHFFFAOYSA-N 0 0 410.470 3.006 50 0 HGAARN CCOC(=O)c1cnn(CCOC(=O)c2cccs2)c1NC(=O)c1cccs1 ZINC000004034367 568935273 /nfs/dbraw/zinc/93/52/73/568935273.db2.gz WQVASELKWNPYLE-UHFFFAOYSA-N 0 0 419.484 3.292 50 0 HGAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3OC)C2)cc1 ZINC000004036284 568935433 /nfs/dbraw/zinc/93/54/33/568935433.db2.gz AUXZWSYFQJZHAH-LJQANCHMSA-N 0 0 401.488 3.154 50 0 HGAARN CC(C)CCC[C@@H](C)NC(=O)COC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000019197027 568936538 /nfs/dbraw/zinc/93/65/38/568936538.db2.gz HHGBCEDGRUQZMK-OAHLLOKOSA-N 0 0 413.474 3.017 50 0 HGAARN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O ZINC000004061098 568937212 /nfs/dbraw/zinc/93/72/12/568937212.db2.gz VRIZZBHMPMVZAN-OPXMRZJTSA-N 0 0 424.541 3.385 50 0 biogenic HGAARN COc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(OC)c1 ZINC000012749824 568937727 /nfs/dbraw/zinc/93/77/27/568937727.db2.gz YHGWUTQSNZKGSR-UHFFFAOYSA-N 0 0 411.454 3.210 50 0 HGAARN Cc1ccccc1-c1nnn(CC(=O)NCc2cccc(COCc3ccco3)c2)n1 ZINC000053115206 568938682 /nfs/dbraw/zinc/93/86/82/568938682.db2.gz JTIQLOVQAPOKDO-UHFFFAOYSA-N 0 0 417.469 3.275 50 0 HGAARN COc1cccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)c1 ZINC000001427136 568939383 /nfs/dbraw/zinc/93/93/83/568939383.db2.gz DODCJVQUGAOGRO-UHFFFAOYSA-N 0 0 406.467 3.104 50 0 HGAARN NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1OCC(F)(F)F ZINC000012750377 568940110 /nfs/dbraw/zinc/94/01/10/568940110.db2.gz GXLWQMCKHKULOE-UHFFFAOYSA-N 0 0 402.756 3.398 50 0 HGAARN Cc1cc(=O)c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000012757370 568943028 /nfs/dbraw/zinc/94/30/28/568943028.db2.gz KAZXXHPNFFBHJF-HXUWFJFHSA-N 0 0 422.916 3.323 50 0 HGAARN CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n1CC)S[C@H](C)C2 ZINC000004107969 568943629 /nfs/dbraw/zinc/94/36/29/568943629.db2.gz ITCBVASWAOLRDW-GFCCVEGCSA-N 0 0 405.545 3.429 50 0 HGAARN O=C(CNC(=O)c1cccs1)NCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000012759538 568943879 /nfs/dbraw/zinc/94/38/79/568943879.db2.gz CIIKUPWYQHHCKW-UHFFFAOYSA-N 0 0 409.467 3.025 50 0 HGAARN CC(C)(C)OC(=O)N(CCNC(=O)c1cccc(C(N)=O)c1)C1CCCCCC1 ZINC000084199894 568944447 /nfs/dbraw/zinc/94/44/47/568944447.db2.gz VFWLSWMFMKLKTK-UHFFFAOYSA-N 0 0 403.523 3.475 50 0 HGAARN COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1OC ZINC000004122584 568944975 /nfs/dbraw/zinc/94/49/75/568944975.db2.gz VTFKLSRYQVPDTJ-UHFFFAOYSA-N 0 0 410.293 3.297 50 0 HGAARN CN(CCOc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012761180 568945399 /nfs/dbraw/zinc/94/53/99/568945399.db2.gz 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569197038 /nfs/dbraw/zinc/19/70/38/569197038.db2.gz NIKVBJBCNQYTLV-UHFFFAOYSA-N 0 0 410.325 3.089 50 0 HGAARN CCCSc1nc2ccccc2c(=O)n1-c1cc(S(=O)(=O)N(C)C)ccc1C ZINC000007000575 569197317 /nfs/dbraw/zinc/19/73/17/569197317.db2.gz IQNZULREWQOFPB-UHFFFAOYSA-N 0 0 417.556 3.447 50 0 HGAARN CCOC(=O)N1CCN(C(=O)c2c(C)nn(-c3cccc(C)c3)c2-n2cccc2)CC1 ZINC000007005674 569198653 /nfs/dbraw/zinc/19/86/53/569198653.db2.gz XBIDKXIXOSBERY-UHFFFAOYSA-N 0 0 421.501 3.194 50 0 HGAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2CC(N)=O)c1 ZINC000007002720 569198887 /nfs/dbraw/zinc/19/88/87/569198887.db2.gz DUXUDPYZEDVWEG-UHFFFAOYSA-N 0 0 409.515 3.086 50 0 HGAARN Cc1ccc(N2C(=O)N(Cc3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000007005971 569199242 /nfs/dbraw/zinc/19/92/42/569199242.db2.gz HOVQNZSIXCYRQD-QZTJIDSGSA-N 0 0 408.882 3.395 50 0 HGAARN COc1cc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)cc2)cc(OC)c1 ZINC000007006432 569199394 /nfs/dbraw/zinc/19/93/94/569199394.db2.gz AWUNHZAIBBOLJS-UHFFFAOYSA-N 0 0 418.453 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/nfs/dbraw/zinc/20/15/12/569201512.db2.gz CLNNUDPNWRKFRN-UHFFFAOYSA-N 0 0 420.579 3.467 50 0 HGAARN COc1cccc(Cn2c3c(-c4ccccn4)nsc3c(=O)n(C3CC3)c2=O)c1 ZINC000065233143 569202217 /nfs/dbraw/zinc/20/22/17/569202217.db2.gz IVFFOLNTFWWWQB-UHFFFAOYSA-N 0 0 406.467 3.074 50 0 HGAARN CN1c2ccc(Cl)cc2C(=O)NC12CCN(C(=O)NCc1ccc(F)cc1)CC2 ZINC000065235457 569202313 /nfs/dbraw/zinc/20/23/13/569202313.db2.gz CVQUQCKGMUEVAM-UHFFFAOYSA-N 0 0 416.884 3.361 50 0 HGAARN CCN1c2ccc(F)cc2C(=O)NC12CCN(C(=O)c1cc(F)cc(F)c1)CC2 ZINC000065235222 569202345 /nfs/dbraw/zinc/20/23/45/569202345.db2.gz CSWBFJAQNZGOHP-UHFFFAOYSA-N 0 0 403.404 3.306 50 0 HGAARN COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F)C(C)C ZINC000036585108 569203134 /nfs/dbraw/zinc/20/31/34/569203134.db2.gz JTLHSIAIPABSJO-NVXWUHKLSA-N 0 0 408.861 3.057 50 0 HGAARN C=C1C(N2CCCN(C(=O)[C@H](C)CCC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239414 569203363 /nfs/dbraw/zinc/20/33/63/569203363.db2.gz WJSOJPOQHYHXID-QGZVFWFLSA-N 0 0 417.575 3.438 50 0 HGAARN COc1ccc(OCC(=O)N2CCN(c3ccc(-c4nc(C)cs4)cn3)CC2)cc1 ZINC000065240743 569203854 /nfs/dbraw/zinc/20/38/54/569203854.db2.gz OKKXESTTYLNPAJ-UHFFFAOYSA-N 0 0 424.526 3.250 50 0 HGAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)cc1 ZINC000065241508 569204206 /nfs/dbraw/zinc/20/42/06/569204206.db2.gz PHWVPHGXPJJPQN-UHFFFAOYSA-N 0 0 411.439 3.273 50 0 HGAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)c1 ZINC000065245279 569205061 /nfs/dbraw/zinc/20/50/61/569205061.db2.gz UPDISQOWKBSBJP-QGZVFWFLSA-N 0 0 409.534 3.373 50 0 HGAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)ncn3)C2)c1 ZINC000065245278 569205197 /nfs/dbraw/zinc/20/51/97/569205197.db2.gz UPDISQOWKBSBJP-KRWDZBQOSA-N 0 0 409.534 3.373 50 0 HGAARN COc1ccc(NC(=O)CC[C@H]2NC(=O)N([C@H](C)c3ccccc3)C2=O)c(OC)c1 ZINC000036601932 569205296 /nfs/dbraw/zinc/20/52/96/569205296.db2.gz ZWCLRDJCDVKYAZ-RDTXWAMCSA-N 0 0 411.458 3.309 50 0 HGAARN CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)o1 ZINC000065246605 569205711 /nfs/dbraw/zinc/20/57/11/569205711.db2.gz NJVPMWRZKOWGRZ-UHFFFAOYSA-N 0 0 420.466 3.103 50 0 HGAARN COc1ccc2c(c1)[C@@]1(CCN(C(=O)Cc3ccc(OC)cc3Cl)C1)C(=O)N2C ZINC000065249391 569205840 /nfs/dbraw/zinc/20/58/40/569205840.db2.gz ZLLZJWFJWFWDIM-QFIPXVFZSA-N 0 0 414.889 3.046 50 0 biogenic HGAARN CCc1noc(-c2cccnc2-n2cnc(C(=O)Nc3cc(C)ccc3OC)c2)n1 ZINC000065250735 569206270 /nfs/dbraw/zinc/20/62/70/569206270.db2.gz DAXVMWLNIGZHAN-UHFFFAOYSA-N 0 0 404.430 3.449 50 0 HGAARN Cc1ccccc1CNC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000065251118 569206491 /nfs/dbraw/zinc/20/64/91/569206491.db2.gz YUPPIXNXVVENLS-UHFFFAOYSA-N 0 0 400.442 3.433 50 0 HGAARN Cc1c(C(=O)NCc2ccco2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC000065251331 569206590 /nfs/dbraw/zinc/20/65/90/569206590.db2.gz KRDBNTRZNIOBSR-UHFFFAOYSA-N 0 0 406.446 3.446 50 0 HGAARN CC(C)c1noc(-c2ccn3c(c2)nnc3CC(=O)NCc2cccc(Cl)c2)n1 ZINC000065254554 569207258 /nfs/dbraw/zinc/20/72/58/569207258.db2.gz GUOURCOTSYOXQU-UHFFFAOYSA-N 0 0 410.865 3.415 50 0 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/nfs/dbraw/zinc/21/07/57/569210757.db2.gz ITMIDSGCYPITAG-KRWDZBQOSA-N 0 0 419.572 3.031 50 0 biogenic HGAARN COc1ccc(-n2nc(C(=O)NCc3ccccn3)c3ccccc3c2=O)cc1Cl ZINC000008659915 569211703 /nfs/dbraw/zinc/21/17/03/569211703.db2.gz FUNPOKIDVBJZQT-UHFFFAOYSA-N 0 0 420.856 3.373 50 0 HGAARN COc1cc2c(cc1OC)[C@@H](NC(=O)Cc1c(C)c3ccc(O)cc3oc1=O)CC2 ZINC000524730961 569212039 /nfs/dbraw/zinc/21/20/39/569212039.db2.gz DSHVQDBXOWTIES-SFHVURJKSA-N 0 0 409.438 3.170 50 0 biogenic HGAARN CC(=O)c1ccc(NC(=O)CCn2c3nn(C)c(C)c3c(C(F)F)cc2=O)cc1 ZINC000036621534 569212147 /nfs/dbraw/zinc/21/21/47/569212147.db2.gz HIOHDEXEULCMNF-UHFFFAOYSA-N 0 0 402.401 3.212 50 0 HGAARN CC[C@@H]1CN2C=NC(N3CCN(C(=O)Nc4ccc(Cl)cc4F)CC3)=CC2=N1 ZINC000065265627 569212996 /nfs/dbraw/zinc/21/29/96/569212996.db2.gz HSNQQTSFLHLKRF-CQSZACIVSA-N 0 0 404.877 3.005 50 0 HGAARN Cc1nn(C)c(C)c1CNC(=O)[C@H]1CN(C(=O)c2ccccc2)CC12CCCCC2 ZINC000065266100 569213094 /nfs/dbraw/zinc/21/30/94/569213094.db2.gz OBOVMJRAZVUFDI-OAQYLSRUSA-N 0 0 408.546 3.376 50 0 biogenic HGAARN Cc1noc(C)c1CC(=O)N1CC[C@]2(C1)NCc1ccccc1NC2=NC1CCCC1 ZINC000065265915 569213130 /nfs/dbraw/zinc/21/31/30/569213130.db2.gz HAFZQSIDDOSWAC-XMMPIXPASA-N 0 0 421.545 3.171 50 0 HGAARN COc1ccccc1CNC(=O)[C@@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000065266115 569213146 /nfs/dbraw/zinc/21/31/46/569213146.db2.gz YZBVRPVCQHKUNK-FQEVSTJZSA-N 0 0 407.514 3.429 50 0 biogenic HGAARN COc1ccc(Cn2c3cc(C(=O)NC4CCCC4)ccc3n3nccc3c2=O)cc1 ZINC000065270985 569213555 /nfs/dbraw/zinc/21/35/55/569213555.db2.gz GQCJCYBPFWKSPR-UHFFFAOYSA-N 0 0 416.481 3.379 50 0 HGAARN COc1cc2c(cc1OC)[C@H](NC(=O)[C@H]1CCCN(c3nc(C)cc(C)n3)C1)CC2 ZINC000524734019 569214182 /nfs/dbraw/zinc/21/41/82/569214182.db2.gz NWEYKBDZPHWNDE-PKOBYXMFSA-N 0 0 410.518 3.131 50 0 HGAARN CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1C ZINC000007056817 569214536 /nfs/dbraw/zinc/21/45/36/569214536.db2.gz MSMQXTJHZXISHW-UHFFFAOYSA-N 0 0 410.561 3.443 50 0 HGAARN CCOC(=O)Cc1ccc(NC(=O)N2CC[C@@H](n3c(C)nc4cccnc43)C2)cc1 ZINC000065271587 569215339 /nfs/dbraw/zinc/21/53/39/569215339.db2.gz MQDLVKSNFRBWDP-GOSISDBHSA-N 0 0 407.474 3.324 50 0 HGAARN CCOC(=O)C1CCC(CNC(=O)N2CC[C@H](n3c(C)nc4cccnc43)C2)CC1 ZINC000065271611 569215377 /nfs/dbraw/zinc/21/53/77/569215377.db2.gz GQFPJEZMICFGGB-ABHNRTSZSA-N 0 0 413.522 3.066 50 0 HGAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(C)c(C)c2)CC3)CC1 ZINC000065273326 569216020 /nfs/dbraw/zinc/21/60/20/569216020.db2.gz ASESOHUOXKFYSB-QGZVFWFLSA-N 0 0 412.559 3.172 50 0 HGAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000007068582 569216275 /nfs/dbraw/zinc/21/62/75/569216275.db2.gz QKFXOBKCDIUZRW-OAHLLOKOSA-N 0 0 410.898 3.196 50 0 HGAARN Cc1ccc(C)c(N2CCN(C(=O)c3nc4cccnc4n(CC(C)C)c3=O)CC2)c1 ZINC000065282850 569216403 /nfs/dbraw/zinc/21/64/03/569216403.db2.gz VKEMBMOAVHVXGI-UHFFFAOYSA-N 0 0 419.529 3.027 50 0 HGAARN CC(C)OC(=O)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 ZINC000007061562 569216960 /nfs/dbraw/zinc/21/69/60/569216960.db2.gz 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COCCOC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc21 ZINC000002369176 569388465 /nfs/dbraw/zinc/38/84/65/569388465.db2.gz ARNQMXFKXNPTAN-UHFFFAOYSA-N 0 0 404.426 3.162 50 0 HGAARN Cc1nc(C2(NC(=O)CCC(=O)N3CCc4sccc4C3)CCCCC2)no1 ZINC000055099588 569388587 /nfs/dbraw/zinc/38/85/87/569388587.db2.gz INXPWOZFVMLMBN-UHFFFAOYSA-N 0 0 402.520 3.080 50 0 HGAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000002371671 569388915 /nfs/dbraw/zinc/38/89/15/569388915.db2.gz QNJGCBSAJXWUHN-NGOKVRLYSA-N 0 0 409.419 3.409 50 0 HGAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1cccc(F)c1 ZINC000002388280 569392532 /nfs/dbraw/zinc/39/25/32/569392532.db2.gz KTSMCEOQAMCXTI-UHFFFAOYSA-N 0 0 410.434 3.246 50 0 HGAARN CCCNC(=O)c1c(N)n(-c2ccc(C(=O)OCC)cc2)c2nc3ccccc3nc21 ZINC000002396903 569394525 /nfs/dbraw/zinc/39/45/25/569394525.db2.gz VKBCHAIVBCKCPO-UHFFFAOYSA-N 0 0 417.469 3.472 50 0 HGAARN CC(=O)c1ccc(NC(=O)CSc2nc(N)c3cc4c(nc3n2)CCCC4)cc1 ZINC000002397915 569394590 /nfs/dbraw/zinc/39/45/90/569394590.db2.gz FAQTVKIQOCIFEX-UHFFFAOYSA-N 0 0 407.499 3.419 50 0 HGAARN COc1cccc(OC)c1C(=O)OCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000010787305 569397104 /nfs/dbraw/zinc/39/71/04/569397104.db2.gz QJHKFNMPGFLSHL-UHFFFAOYSA-N 0 0 413.405 3.133 50 0 HGAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012882726 569404452 /nfs/dbraw/zinc/40/44/52/569404452.db2.gz MDGARJUTAGXJKD-FQEVSTJZSA-N 0 0 424.570 3.413 50 0 HGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000012897027 569404767 /nfs/dbraw/zinc/40/47/67/569404767.db2.gz WFNZLWZUBHZHBC-OAHLLOKOSA-N 0 0 402.399 3.214 50 0 biogenic HGAARN Cc1nn(-c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)c(C)c1C ZINC000013008975 569406927 /nfs/dbraw/zinc/40/69/27/569406927.db2.gz INRQYGMCLFKTBD-UHFFFAOYSA-N 0 0 410.909 3.203 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccccc2F)c1 ZINC000013058023 569408253 /nfs/dbraw/zinc/40/82/53/569408253.db2.gz YJADLZPWQDCDGG-UHFFFAOYSA-N 0 0 421.538 3.235 50 0 HGAARN C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cn3ccccc3n2)C1=O ZINC000013059642 569408392 /nfs/dbraw/zinc/40/83/92/569408392.db2.gz DAIOVZFXSGTTNF-OAQYLSRUSA-N 0 0 414.412 3.379 50 0 HGAARN C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000013073255 569408726 /nfs/dbraw/zinc/40/87/26/569408726.db2.gz TVPUVJLDUBUMNG-CYBMUJFWSA-N 0 0 416.421 3.131 50 0 HGAARN C[C@@]1(c2cccc(NS(=O)(=O)CCCOCc3ccccc3)c2)NC(=O)NC1=O ZINC000328595705 569415921 /nfs/dbraw/zinc/41/59/21/569415921.db2.gz BMNICRDBYFFCNN-FQEVSTJZSA-N 0 0 417.487 3.135 50 0 HGAARN Cc1nc(C)c(-c2csc(NC(=O)C(=O)NC(C)(C)c3nccs3)n2)s1 ZINC000328596719 569416095 /nfs/dbraw/zinc/41/60/95/569416095.db2.gz STWJEYZNADSLCC-UHFFFAOYSA-N 0 0 407.546 3.330 50 0 HGAARN COc1ccc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1Br ZINC000019357671 569420327 /nfs/dbraw/zinc/42/03/27/569420327.db2.gz KEUSPVGNZXOGCZ-UHFFFAOYSA-N 0 0 423.650 3.476 50 0 HGAARN CCN(C(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078803104 569420478 /nfs/dbraw/zinc/42/04/78/569420478.db2.gz KWBMIKBAIHZEHV-MRXNPFEDSA-N 0 0 407.392 3.290 50 0 HGAARN Cc1ccc(C(=O)NCCNC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)cc1F ZINC000078869350 569420868 /nfs/dbraw/zinc/42/08/68/569420868.db2.gz MDYMDRAMVZVMOX-GOSISDBHSA-N 0 0 409.864 3.076 50 0 HGAARN Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)cc12 ZINC000078877518 569421170 /nfs/dbraw/zinc/42/11/70/569421170.db2.gz JDPVNWIJPHNXOA-WMLDXEAASA-N 0 0 401.511 3.090 50 0 HGAARN CCOC(=O)c1csc(N(CC)C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 ZINC000078879526 569421397 /nfs/dbraw/zinc/42/13/97/569421397.db2.gz VLCZGKYGODCMKE-GFCCVEGCSA-N 0 0 421.906 3.379 50 0 HGAARN Cc1cc(-c2cccc(F)c2)nnc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000078903751 569421620 /nfs/dbraw/zinc/42/16/20/569421620.db2.gz IUDITPQJBHJQGE-UHFFFAOYSA-N 0 0 420.444 3.282 50 0 HGAARN Cc1nsc(N2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3O)CC2)n1 ZINC000078947268 569421938 /nfs/dbraw/zinc/42/19/38/569421938.db2.gz ACRPOCQBMVNKNH-UHFFFAOYSA-N 0 0 408.527 3.495 50 0 HGAARN NC(=O)c1c(NC(=O)CN2CCOc3ccc(Cl)cc32)sc2c1CCCC2 ZINC000078950288 569422079 /nfs/dbraw/zinc/42/20/79/569422079.db2.gz NNLKJNNGYKCKRT-UHFFFAOYSA-N 0 0 405.907 3.217 50 0 HGAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCCCc3ccccc32)C1=O ZINC000078950312 569422086 /nfs/dbraw/zinc/42/20/86/569422086.db2.gz LTJYDZDOMJQJHT-XMMPIXPASA-N 0 0 420.513 3.108 50 0 HGAARN CCc1nnc(-c2ccc(NC(=O)NC[C@@H](CC(C)C)N3CCOCC3)cc2)o1 ZINC000078975085 569422637 /nfs/dbraw/zinc/42/26/37/569422637.db2.gz MPWQEVNQEQQMTE-GOSISDBHSA-N 0 0 401.511 3.167 50 0 HGAARN COCCOC(=O)Nc1cccc(NCC(=O)Nc2ccnn2C2CCCC2)c1 ZINC000079017436 569424006 /nfs/dbraw/zinc/42/40/06/569424006.db2.gz YWVITMPSRZXWTD-UHFFFAOYSA-N 0 0 401.467 3.244 50 0 HGAARN CCOC(=O)C1=C(CN2C[C@H](C)Sc3ccccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000079074728 569426936 /nfs/dbraw/zinc/42/69/36/569426936.db2.gz FBWXVDBBZVZJSI-ORAYPTAESA-N 0 0 413.499 3.452 50 0 HGAARN Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000079101388 569427471 /nfs/dbraw/zinc/42/74/71/569427471.db2.gz YVISKMWFJRFMRV-MRXNPFEDSA-N 0 0 401.898 3.269 50 0 HGAARN CCOC(=O)[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C1(OCC)CCCC1 ZINC000079110662 569427984 /nfs/dbraw/zinc/42/79/84/569427984.db2.gz RHWIOBOZJKIOSQ-QGZVFWFLSA-N 0 0 421.519 3.128 50 0 HGAARN CC(C)n1ncc2cc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)ccc21 ZINC000079111041 569428066 /nfs/dbraw/zinc/42/80/66/569428066.db2.gz UEHFGOQJODFKNN-FQEVSTJZSA-N 0 0 404.511 3.338 50 0 HGAARN COc1ccc([C@@H]2SCC(=O)Nc3ncn(-c4ccccc4)c32)cc1OCC(N)=O ZINC000079475321 569431528 /nfs/dbraw/zinc/43/15/28/569431528.db2.gz AVTZOZBDEBHGKU-FQEVSTJZSA-N 0 0 424.482 3.169 50 0 HGAARN COCCn1ccc2c1cccc2C(=O)Nc1cccc(-c2n[nH]c(COC)n2)c1 ZINC000079480167 569431738 /nfs/dbraw/zinc/43/17/38/569431738.db2.gz TYYWDSPQQCQTHC-UHFFFAOYSA-N 0 0 405.458 3.472 50 0 HGAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000067238457 571051236 /nfs/dbraw/zinc/05/12/36/571051236.db2.gz NSASNXJBANSCFA-UHFFFAOYSA-N 0 0 402.495 3.381 50 0 HGAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O ZINC000008480829 571053544 /nfs/dbraw/zinc/05/35/44/571053544.db2.gz QWMZODIDCFPNJT-IBGZPJMESA-N 0 0 407.804 3.414 50 0 HGAARN CCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3C(C)C)c(=O)c2=O)cc1 ZINC000067256154 571056102 /nfs/dbraw/zinc/05/61/02/571056102.db2.gz FIPVKDDMCKNEOE-UHFFFAOYSA-N 0 0 407.470 3.160 50 0 HGAARN O=S(=O)(c1nnn2c1nc(NCc1ccncc1)c1ccccc12)c1ccccc1 ZINC000067261362 571060213 /nfs/dbraw/zinc/06/02/13/571060213.db2.gz LTFSBNDKXIXYQN-UHFFFAOYSA-N 0 0 416.466 3.117 50 0 HGAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc4nsnc4c3)cc2C1 ZINC000038678276 571061011 /nfs/dbraw/zinc/06/10/11/571061011.db2.gz VNNOYJSTWARNFX-UHFFFAOYSA-N 0 0 416.528 3.042 50 0 HGAARN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286819 571064858 /nfs/dbraw/zinc/06/48/58/571064858.db2.gz HMGYCUSVVGLUCD-HXUWFJFHSA-N 0 0 401.507 3.132 50 0 HGAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccccc2F)c(=O)c1CCO ZINC000067300564 571073904 /nfs/dbraw/zinc/07/39/04/571073904.db2.gz OEHOLZANRGKDBH-UHFFFAOYSA-N 0 0 415.852 3.185 50 0 HGAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)N(C)c2ccccc2)c(=O)c1CCO ZINC000067300567 571073909 /nfs/dbraw/zinc/07/39/09/571073909.db2.gz POSSGAJCNLRGKZ-UHFFFAOYSA-N 0 0 411.889 3.070 50 0 HGAARN Cc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)c1 ZINC000067300536 571073950 /nfs/dbraw/zinc/07/39/50/571073950.db2.gz GDUUQKVWMLSUOU-UHFFFAOYSA-N 0 0 411.889 3.354 50 0 HGAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N(C)c2ccccc2)c(=O)c1CCO ZINC000067301632 571074253 /nfs/dbraw/zinc/07/42/53/571074253.db2.gz YRQUJNUGNNASKL-UHFFFAOYSA-N 0 0 411.889 3.070 50 0 HGAARN CCOc1ccc(NC=C(C(=O)OC)S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000067340343 571080843 /nfs/dbraw/zinc/08/08/43/571080843.db2.gz MKFPFZWCFBFFDP-XMHGGMMESA-N 0 0 405.472 3.384 50 0 HGAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)cc1C)CC3 ZINC000067349900 571081598 /nfs/dbraw/zinc/08/15/98/571081598.db2.gz SOTQAFQASJPGRU-UHFFFAOYSA-N 0 0 405.498 3.459 50 0 HGAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccccc1Cl)CC3 ZINC000067349871 571081640 /nfs/dbraw/zinc/08/16/40/571081640.db2.gz IGYJYFCHCOOWBA-UHFFFAOYSA-N 0 0 411.889 3.495 50 0 HGAARN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008587437 571083747 /nfs/dbraw/zinc/08/37/47/571083747.db2.gz BUZWHDXQEIDONN-UHFFFAOYSA-N 0 0 406.935 3.198 50 0 HGAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)c2cccc(F)c2)s1 ZINC000008588130 571084099 /nfs/dbraw/zinc/08/40/99/571084099.db2.gz OWKXTIUTXAZQLD-NSHDSACASA-N 0 0 418.475 3.069 50 0 HGAARN CCOc1ccc(CNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)cc1OC ZINC000008588378 571084450 /nfs/dbraw/zinc/08/44/50/571084450.db2.gz BHDXQIGOZHJVRX-UHFFFAOYSA-N 0 0 423.444 3.117 50 0 HGAARN CCOc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038834328 571085582 /nfs/dbraw/zinc/08/55/82/571085582.db2.gz XWLVRRBWXXJEIW-SFHVURJKSA-N 0 0 424.906 3.295 50 0 HGAARN CS(=O)(=O)N1CC[C@@H](C(=O)NCCC2=CCCCC2)Oc2ccc(Cl)cc21 ZINC000038852473 571088378 /nfs/dbraw/zinc/08/83/78/571088378.db2.gz PYUUXGPMWAIKAR-SFHVURJKSA-N 0 0 412.939 3.264 50 0 HGAARN O=C(COc1ccccc1F)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 ZINC000008598244 571088430 /nfs/dbraw/zinc/08/84/30/571088430.db2.gz KNNPOHDGKKQQLJ-UHFFFAOYSA-N 0 0 419.412 3.430 50 0 HGAARN CC(=O)c1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000038858432 571088851 /nfs/dbraw/zinc/08/88/51/571088851.db2.gz BRQKMPXCVNYQFU-GOSISDBHSA-N 0 0 422.890 3.098 50 0 HGAARN CCCOc1ccc(CNC(=O)Cn2ncn3c4cc(CC)sc4cc3c2=O)cc1 ZINC000008605095 571091509 /nfs/dbraw/zinc/09/15/09/571091509.db2.gz YYFYISPHBGRLAU-UHFFFAOYSA-N 0 0 424.526 3.378 50 0 HGAARN Cc1nn(CCC(=O)Nc2ccc(F)cc2C)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000008608096 571093000 /nfs/dbraw/zinc/09/30/00/571093000.db2.gz DQTGXKRKBQZROW-UHFFFAOYSA-N 0 0 422.526 3.151 50 0 HGAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1Cl ZINC000008609765 571093741 /nfs/dbraw/zinc/09/37/41/571093741.db2.gz VRZKTKROHSWFPE-UHFFFAOYSA-N 0 0 411.911 3.114 50 0 HGAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(F)cc3)N2C1=O ZINC000008609167 571093838 /nfs/dbraw/zinc/09/38/38/571093838.db2.gz LMWBGIMFAKFURY-IBGZPJMESA-N 0 0 424.501 3.490 50 0 HGAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000038946913 571098147 /nfs/dbraw/zinc/09/81/47/571098147.db2.gz LTXOBPSGGMWUSG-JGICFRDGSA-N 0 0 422.456 3.042 50 0 HGAARN CCCOc1ccc(Br)cc1[C@H]1C(C(=O)OCC)C(C)=Nc2nnnn21 ZINC000008717607 571105782 /nfs/dbraw/zinc/10/57/82/571105782.db2.gz JKALPLSSXFVSJC-HNNXBMFYSA-N 0 0 422.283 3.076 50 0 HGAARN Cc1cccc(NC(=O)CNC(=O)CSc2nc3cc(Cl)cnc3[nH]2)c1C ZINC000008725490 571108310 /nfs/dbraw/zinc/10/83/10/571108310.db2.gz ZJMWLKCOWJQNFP-UHFFFAOYSA-N 0 0 403.895 3.075 50 0 HGAARN COc1cc2c(c3oc(=O)c(CC(=O)NCc4ccncc4)c(C)c13)CCC(C)(C)O2 ZINC000008765109 571115441 /nfs/dbraw/zinc/11/54/41/571115441.db2.gz TZLFYALKKGJJEF-UHFFFAOYSA-N 0 0 422.481 3.468 50 0 biogenic HGAARN Cc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000008768075 571115979 /nfs/dbraw/zinc/11/59/79/571115979.db2.gz OKHWAVVJEYVCQF-IRXDYDNUSA-N 0 0 421.316 3.370 50 0 HGAARN CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000008768040 571115989 /nfs/dbraw/zinc/11/59/89/571115989.db2.gz KYMCRXNRHMJWMS-GSPCLOLRSA-N 0 0 409.445 3.307 50 0 HGAARN CCCN1c2ccc(NS(=O)(=O)CCc3ccc(OC)cc3)cc2CCC1=O ZINC000008840621 571123829 /nfs/dbraw/zinc/12/38/29/571123829.db2.gz APPFDIFZYIMHTI-UHFFFAOYSA-N 0 0 402.516 3.369 50 0 HGAARN O=C(Cn1nnc(-c2ccccc2)n1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008849892 571126898 /nfs/dbraw/zinc/12/68/98/571126898.db2.gz AOEXHVRJVJEKOV-MRXNPFEDSA-N 0 0 404.455 3.373 50 0 HGAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCc1cccnc1 ZINC000008865151 571129044 /nfs/dbraw/zinc/12/90/44/571129044.db2.gz VYEXUOJKADOXIQ-UHFFFAOYSA-N 0 0 405.479 3.186 50 0 HGAARN COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008869538 571129839 /nfs/dbraw/zinc/12/98/39/571129839.db2.gz VGOLZBYZPZOQFJ-FQEVSTJZSA-N 0 0 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/nfs/dbraw/zinc/45/25/81/568452581.db2.gz AJXFYBRQLOKVAO-QGZVFWFLSA-N 0 0 420.513 3.093 50 0 HGAARN CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 ZINC000012237720 568455235 /nfs/dbraw/zinc/45/52/35/568455235.db2.gz XMGFWEANJFJNFQ-UHFFFAOYSA-N 0 0 421.844 3.077 50 0 HGAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000024646782 568455382 /nfs/dbraw/zinc/45/53/82/568455382.db2.gz ROTIVPGIRIVMFE-MRXNPFEDSA-N 0 0 419.934 3.493 50 0 HGAARN CCOC(=O)c1cnn(-c2nnc(C)c3c(C)n(-c4cccc(Cl)c4)nc32)c1N ZINC000000642641 568456896 /nfs/dbraw/zinc/45/68/96/568456896.db2.gz VKWZZIORFABQIT-UHFFFAOYSA-N 0 0 411.853 3.030 50 0 HGAARN Cc1nc(-c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)n(C)c2)cs1 ZINC000012263002 568456924 /nfs/dbraw/zinc/45/69/24/568456924.db2.gz WZFOQMLEWYOFPU-UHFFFAOYSA-N 0 0 416.528 3.249 50 0 HGAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1=Cc2cc(Cl)ccc2OC1 ZINC000012262743 568456983 /nfs/dbraw/zinc/45/69/83/568456983.db2.gz LAUGZDXFUHCRNT-UHFFFAOYSA-N 0 0 404.875 3.294 50 0 HGAARN 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/nfs/dbraw/zinc/51/09/95/568510995.db2.gz SWCJIWBTOVQCPD-UHFFFAOYSA-N 0 0 407.283 3.350 50 0 HGAARN COc1ccc(-n2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)ccc2=O)cc1 ZINC000033128358 568511163 /nfs/dbraw/zinc/51/11/63/568511163.db2.gz JNFXLAGRLGBHMT-UHFFFAOYSA-N 0 0 409.467 3.175 50 0 HGAARN Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)cc1 ZINC000033131434 568511353 /nfs/dbraw/zinc/51/13/53/568511353.db2.gz RPIZKZDLSGWGSR-UHFFFAOYSA-N 0 0 424.975 3.316 50 0 HGAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NC(C)(C)C)C3)s2)cc1 ZINC000033113172 568511494 /nfs/dbraw/zinc/51/14/94/568511494.db2.gz PNRFPIQADJONEI-ZDUSSCGKSA-N 0 0 417.535 3.487 50 0 HGAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC1CCCC1 ZINC000033170629 568511700 /nfs/dbraw/zinc/51/17/00/568511700.db2.gz DMCZOXQDYDIIDQ-LUAWRHEFSA-N 0 0 419.503 3.341 50 0 HGAARN COc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033251933 568511933 /nfs/dbraw/zinc/51/19/33/568511933.db2.gz COMAWALPZQGJON-IBGZPJMESA-N 0 0 422.934 3.208 50 0 HGAARN COc1cc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)ccc1OCC(C)C ZINC000033162075 568512128 /nfs/dbraw/zinc/51/21/28/568512128.db2.gz YBLCYNWCVAMCAK-UNOMPAQXSA-N 0 0 407.495 3.409 50 0 HGAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000024663597 568512661 /nfs/dbraw/zinc/51/26/61/568512661.db2.gz KAULWXNBGBPHFG-RJRNSMGGSA-N 0 0 420.509 3.237 50 0 HGAARN CCCN1C(=O)S/C(=C/c2cc(I)c(O)c(OC)c2)C1=O ZINC000033293898 568513192 /nfs/dbraw/zinc/51/31/92/568513192.db2.gz RITDCQUKCNOGSE-YRNVUSSQSA-N 0 0 419.240 3.452 50 0 HGAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-n2nc(N3CCCC3)ccc2=O)cc1 ZINC000033283150 568513498 /nfs/dbraw/zinc/51/34/98/568513498.db2.gz NRRGCUAFDCEEIU-UHFFFAOYSA-N 0 0 422.916 3.459 50 0 HGAARN COc1ccc(-c2nc3s/c(=C/c4ccc(Br)cc4)c(=O)n3n2)cc1 ZINC000033285067 568513508 /nfs/dbraw/zinc/51/35/08/568513508.db2.gz RLVXOXLQQMZWSH-XNTDXEJSSA-N 0 0 414.284 3.137 50 0 HGAARN Cc1nc(-c2cccc(-c3noc(C(=O)N4CCC5(CC4)OCCO5)n3)c2)cs1 ZINC000033283707 568513554 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AVTNBNCHTUVISL-VOJFVSQTSA-N 0 0 409.339 3.332 50 0 HGAARN Cc1cc(C)nc(O[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 ZINC000390826951 568591454 /nfs/dbraw/zinc/59/14/54/568591454.db2.gz CZYUMMWMKKVYLU-CYBMUJFWSA-N 0 0 402.303 3.242 50 0 HGAARN O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000390832353 568592593 /nfs/dbraw/zinc/59/25/93/568592593.db2.gz YWHIKOBQEREPQB-NSHDSACASA-N 0 0 411.979 3.014 50 0 HGAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)CCc4ccccc4)CC3)[nH]n2)cc1 ZINC000094993173 568593892 /nfs/dbraw/zinc/59/38/92/568593892.db2.gz JJQDEDMMEKOMNF-UHFFFAOYSA-N 0 0 402.498 3.302 50 0 HGAARN COC(=O)[C@H](CCSC)NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000020329206 568599092 /nfs/dbraw/zinc/59/90/92/568599092.db2.gz VWUXBHRNHGGFHE-AWEZNQCLSA-N 0 0 421.519 3.465 50 0 HGAARN O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000020355630 568600037 /nfs/dbraw/zinc/60/00/37/568600037.db2.gz OYJMVHLIKDXBGM-UHFFFAOYSA-N 0 0 403.935 3.467 50 0 HGAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1nc(-c2ccccc2)cs1 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O=C(c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1)N1CCC2(CC1)OCCO2 ZINC000020515174 568622865 /nfs/dbraw/zinc/62/28/65/568622865.db2.gz LFGOYDDIFBNRDQ-MUUNZHRXSA-N 0 0 423.918 3.361 50 0 HGAARN Cc1nc(C)c(S(=O)(=O)N(C)CC2CCN(C(=O)Nc3ccccc3)CC2)s1 ZINC000095465289 568623153 /nfs/dbraw/zinc/62/31/53/568623153.db2.gz MXHKPKKEDNICOO-UHFFFAOYSA-N 0 0 422.576 3.325 50 0 HGAARN COC(=O)[C@H]1CCCCN1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000095469865 568625937 /nfs/dbraw/zinc/62/59/37/568625937.db2.gz CUMQWWKJNZOUFO-HXUWFJFHSA-N 0 0 410.518 3.496 50 0 HGAARN C[C@H](Oc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cn1)c1ccccc1 ZINC000040154851 568626136 /nfs/dbraw/zinc/62/61/36/568626136.db2.gz MHDRCSCFOLJODU-KRWDZBQOSA-N 0 0 410.495 3.425 50 0 HGAARN COc1ccccc1N1CCN(C(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)CC1 ZINC000020531356 568627019 /nfs/dbraw/zinc/62/70/19/568627019.db2.gz UZAXPCBQQROPMJ-JOCHJYFZSA-N 0 0 421.541 3.415 50 0 HGAARN COc1ccccc1N1CCN(C(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)CC1 ZINC000020531357 568627077 /nfs/dbraw/zinc/62/70/77/568627077.db2.gz UZAXPCBQQROPMJ-QFIPXVFZSA-N 0 0 421.541 3.415 50 0 HGAARN COc1ccc(CCc2nnc(NC(=O)c3cc(-c4ccccc4OC)[nH]n3)[nH]2)cc1 ZINC000095472082 568627269 /nfs/dbraw/zinc/62/72/69/568627269.db2.gz TZARZUBOCUWNEA-UHFFFAOYSA-N 0 0 418.457 3.250 50 0 HGAARN COc1ccc(Cc2nc(NC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)n[nH]2)cc1 ZINC000095472414 568627833 /nfs/dbraw/zinc/62/78/33/568627833.db2.gz OFFXVOHEABXUAQ-UHFFFAOYSA-N 0 0 419.489 3.370 50 0 HGAARN Cc1cc(C)nc(Nc2ccc(C(=O)N3CCN(CCc4ccncc4)CC3)cc2)n1 ZINC000095475913 568630215 /nfs/dbraw/zinc/63/02/15/568630215.db2.gz WAVZZACODQHWRV-UHFFFAOYSA-N 0 0 416.529 3.233 50 0 HGAARN Cc1cc(=O)c(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c[nH]1 ZINC000095476662 568630437 /nfs/dbraw/zinc/63/04/37/568630437.db2.gz MGVFVZQFNFVEHL-IBGZPJMESA-N 0 0 401.466 3.492 50 0 HGAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3nnc4ccccn43)c(Cl)cc12 ZINC000095477274 568630929 /nfs/dbraw/zinc/63/09/29/568630929.db2.gz LYSBSFZMJSQRQI-GFCCVEGCSA-N 0 0 412.833 3.054 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/nfs/dbraw/zinc/63/42/77/568634277.db2.gz MQBSRYNAVXUZJA-UHFFFAOYSA-N 0 0 422.298 3.340 50 0 HGAARN O=C(CNC(=O)c1ccc2c(c1)CCC2)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000225448180 568638701 /nfs/dbraw/zinc/63/87/01/568638701.db2.gz OGTKSMBWPRXEMM-IBGZPJMESA-N 0 0 421.324 3.452 50 0 HGAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1Cl)C(=O)OC ZINC000020723526 568640663 /nfs/dbraw/zinc/64/06/63/568640663.db2.gz WAIWNQSLJFUOKC-PZPSRYQVSA-N 0 0 404.898 3.308 50 0 HGAARN O=C(Nc1ccc(N2CCOCC2)cn1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000225471514 568640988 /nfs/dbraw/zinc/64/09/88/568640988.db2.gz CIAUZTYXKUBTTP-UHFFFAOYSA-N 0 0 419.363 3.239 50 0 HGAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000020738243 568641063 /nfs/dbraw/zinc/64/10/63/568641063.db2.gz LZQXNDIRDZVDCF-PZPSRYQVSA-N 0 0 404.898 3.308 50 0 HGAARN COc1cc2c(cc1OC)C(=O)[C@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C)C2 ZINC000020759384 568641938 /nfs/dbraw/zinc/64/19/38/568641938.db2.gz RJQXXRSHMDJYGT-MGPUTAFESA-N 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ZINC000020893750 568648384 /nfs/dbraw/zinc/64/83/84/568648384.db2.gz OKDRNPHOOKGQPK-UHFFFAOYSA-N 0 0 423.538 3.360 50 0 HGAARN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)cc1 ZINC000020902062 568650061 /nfs/dbraw/zinc/65/00/61/568650061.db2.gz FDDMQSYSDOQXNZ-HSZRJFAPSA-N 0 0 414.509 3.244 50 0 HGAARN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000225554569 568650640 /nfs/dbraw/zinc/65/06/40/568650640.db2.gz QKQJCQVCZNMGBS-GOSISDBHSA-N 0 0 417.575 3.362 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4onc(C)c43)C2)cc1Cl ZINC000020945099 568653157 /nfs/dbraw/zinc/65/31/57/568653157.db2.gz LNNWEGMFQGRWPH-GFCCVEGCSA-N 0 0 401.854 3.443 50 0 HGAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn(CC(=O)NCCc3ccco3)c(=O)c12 ZINC000020947341 568653679 /nfs/dbraw/zinc/65/36/79/568653679.db2.gz GRNNAGZENNJTIT-UHFFFAOYSA-N 0 0 404.470 3.064 50 0 HGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3cccc(C)c3)c2-n2cccc2)C1 ZINC000020980001 568654506 /nfs/dbraw/zinc/65/45/06/568654506.db2.gz 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CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(OC)cc1 ZINC000002909142 568815498 /nfs/dbraw/zinc/81/54/98/568815498.db2.gz CAPLMYSFHKQSNC-LBPRGKRZSA-N 0 0 403.529 3.463 50 0 HGAARN COc1ccccc1CNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc21 ZINC000002942706 568819607 /nfs/dbraw/zinc/81/96/07/568819607.db2.gz BSXBXMOPNFDIGQ-UHFFFAOYSA-N 0 0 415.449 3.333 50 0 HGAARN C[C@@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000052720318 568822547 /nfs/dbraw/zinc/82/25/47/568822547.db2.gz PVRXTKNAKCQYOR-CYBMUJFWSA-N 0 0 403.891 3.463 50 0 HGAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 ZINC000025594096 568823215 /nfs/dbraw/zinc/82/32/15/568823215.db2.gz JDIQFYSLEXJIDB-BXJVNKMFSA-N 0 0 402.535 3.053 50 0 HGAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccccc2F)CC1 ZINC000057050849 568823680 /nfs/dbraw/zinc/82/36/80/568823680.db2.gz HODZZGAYBDLJLO-UHFFFAOYSA-N 0 0 424.476 3.163 50 0 HGAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057058652 568823940 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O=C(c1nc(Cl)ccc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000025608968 568829966 /nfs/dbraw/zinc/82/99/66/568829966.db2.gz HSOVEGCTBCICJV-UHFFFAOYSA-N 0 0 424.313 3.458 50 0 HGAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccccc3)N2C1=O ZINC000002965453 568830980 /nfs/dbraw/zinc/83/09/80/568830980.db2.gz FJIPXQSJUZBWBA-FQEVSTJZSA-N 0 0 420.538 3.393 50 0 HGAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccco1 ZINC000002970171 568831344 /nfs/dbraw/zinc/83/13/44/568831344.db2.gz OMMUUESVHIDHBB-UHFFFAOYSA-N 0 0 405.479 3.446 50 0 HGAARN Cc1cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)/C=C/c2ccccc2)no1 ZINC000005958209 568832405 /nfs/dbraw/zinc/83/24/05/568832405.db2.gz DLUKGBXZUIEINI-OUKQBFOZSA-N 0 0 411.483 3.424 50 0 HGAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000005972860 568833617 /nfs/dbraw/zinc/83/36/17/568833617.db2.gz LYRSWYPTIOKILG-OAHLLOKOSA-N 0 0 422.576 3.080 50 0 HGAARN COc1ccc(N2C[C@H](C(=O)NCc3cccc(Br)c3)CC2=O)cc1 ZINC000057416356 568834159 /nfs/dbraw/zinc/83/41/59/568834159.db2.gz GAGXZVLUDIJVIH-CQSZACIVSA-N 0 0 403.276 3.127 50 0 HGAARN COCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000057425788 568834831 /nfs/dbraw/zinc/83/48/31/568834831.db2.gz JMAPFNHTWQDMOP-UHFFFAOYSA-N 0 0 409.920 3.489 50 0 HGAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CCS3)c1C ZINC000006000783 568834892 /nfs/dbraw/zinc/83/48/92/568834892.db2.gz DDQSEJIXWSNPEU-UHFFFAOYSA-N 0 0 400.456 3.308 50 0 HGAARN Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)c1 ZINC000057428284 568835944 /nfs/dbraw/zinc/83/59/44/568835944.db2.gz IAQSXVGKWJMWLX-UHFFFAOYSA-N 0 0 407.861 3.491 50 0 HGAARN CCc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O ZINC000057428749 568836177 /nfs/dbraw/zinc/83/61/77/568836177.db2.gz CLLYNYBZRIDIMI-UHFFFAOYSA-N 0 0 405.479 3.415 50 0 HGAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)N[C@H]1CCc2ccccc21 ZINC000057428951 568836242 /nfs/dbraw/zinc/83/62/42/568836242.db2.gz NCCVRAWQAMZNIM-SFHVURJKSA-N 0 0 417.490 3.018 50 0 HGAARN CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O ZINC000057428997 568836251 /nfs/dbraw/zinc/83/62/51/568836251.db2.gz PKJRHWGYJZTRRV-UHFFFAOYSA-N 0 0 421.469 3.141 50 0 HGAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)n3cccc(C)c3n2)C1=O ZINC000031641639 568837103 /nfs/dbraw/zinc/83/71/03/568837103.db2.gz YPKUHABHLRZYFZ-HSZRJFAPSA-N 0 0 422.460 3.280 50 0 HGAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1c(F)cccc1Cl ZINC000003009308 568837614 /nfs/dbraw/zinc/83/76/14/568837614.db2.gz DCPZNMZSOWWDQE-UHFFFAOYSA-N 0 0 423.828 3.485 50 0 HGAARN CCCCN(Cn1ncn(-c2cccc(Cl)c2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012516790 568840659 /nfs/dbraw/zinc/84/06/59/568840659.db2.gz SHUPTCOIQKYVKZ-INIZCTEOSA-N 0 0 414.984 3.303 50 0 HGAARN C[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000003027215 568841634 /nfs/dbraw/zinc/84/16/34/568841634.db2.gz YCCXQCHFSNCTSR-KBXCAEBGSA-N 0 0 414.889 3.480 50 0 HGAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012521445 568841791 /nfs/dbraw/zinc/84/17/91/568841791.db2.gz XLQZUEPAGGTNPJ-IYBDPMFKSA-N 0 0 418.515 3.136 50 0 HGAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000012522672 568842183 /nfs/dbraw/zinc/84/21/83/568842183.db2.gz YPHISPXJVDNDHQ-ZDUSSCGKSA-N 0 0 404.454 3.459 50 0 HGAARN COc1cccc(C(=O)Cn2c3ccsc3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000057486234 568842157 /nfs/dbraw/zinc/84/21/57/568842157.db2.gz JWLOUYZHBZMEAT-UHFFFAOYSA-N 0 0 420.490 3.359 50 0 HGAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4)cc3C)C2=O)cc1 ZINC000012523155 568842301 /nfs/dbraw/zinc/84/23/01/568842301.db2.gz NMDLQKXHAFMDKF-XMMPIXPASA-N 0 0 420.513 3.309 50 0 HGAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cn1 ZINC000012526948 568843436 /nfs/dbraw/zinc/84/34/36/568843436.db2.gz FKFHRIWQVLQDGE-UHFFFAOYSA-N 0 0 417.531 3.055 50 0 HGAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)Nc1cc(F)ccc1F ZINC000057489542 568843734 /nfs/dbraw/zinc/84/37/34/568843734.db2.gz AAWGAEAENNAYOT-UHFFFAOYSA-N 0 0 413.405 3.131 50 0 HGAARN CN(C(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O)c1ccccc1 ZINC000057490475 568843878 /nfs/dbraw/zinc/84/38/78/568843878.db2.gz AGXCAUYCEHZNGG-UHFFFAOYSA-N 0 0 409.442 3.016 50 0 HGAARN CCCCN(C)C(=O)Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000057491429 568844086 /nfs/dbraw/zinc/84/40/86/568844086.db2.gz PHVMQNOOUKWFQR-UHFFFAOYSA-N 0 0 405.907 3.126 50 0 HGAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)c1 ZINC000057492170 568844247 /nfs/dbraw/zinc/84/42/47/568844247.db2.gz OXZOFNMLEKFBEO-MRXNPFEDSA-N 0 0 411.527 3.232 50 0 HGAARN CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)cc2C)c1=O ZINC000057492907 568844388 /nfs/dbraw/zinc/84/43/88/568844388.db2.gz ZICJSUJWTWLNRB-UHFFFAOYSA-N 0 0 413.543 3.479 50 0 HGAARN CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O ZINC000057493801 568844565 /nfs/dbraw/zinc/84/45/65/568844565.db2.gz SDVQEKAQMBPWJG-UHFFFAOYSA-N 0 0 419.572 3.178 50 0 HGAARN COc1ccccc1[C@@H](NC(=O)c1nc(SC)ncc1Cl)c1nccn1C ZINC000012535493 568845235 /nfs/dbraw/zinc/84/52/35/568845235.db2.gz UQGFMQMSBQTGTF-CQSZACIVSA-N 0 0 403.895 3.113 50 0 HGAARN O=C(CNC(=S)N(Cc1cccs1)Cc1ccccc1)NCc1ccccn1 ZINC000003035393 568845572 /nfs/dbraw/zinc/84/55/72/568845572.db2.gz ZEXGNWITMMJROX-UHFFFAOYSA-N 0 0 410.568 3.336 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000003203667 568846048 /nfs/dbraw/zinc/84/60/48/568846048.db2.gz XCIJDZSVDUIJFY-UHFFFAOYSA-N 0 0 405.476 3.452 50 0 HGAARN COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 ZINC000057504099 568846501 /nfs/dbraw/zinc/84/65/01/568846501.db2.gz XTSULRZSKCZPMO-SFHVURJKSA-N 0 0 422.403 3.104 50 0 HGAARN Cc1cc(=O)n(CC(=O)NCc2ccccc2Cl)c(N2CCc3ccccc3C2)n1 ZINC000057506426 568846826 /nfs/dbraw/zinc/84/68/26/568846826.db2.gz GKQLPARDPCEZQY-UHFFFAOYSA-N 0 0 422.916 3.084 50 0 HGAARN Cc1cc(=O)n(CC(=O)Nc2ccccc2Cl)c(N2CCc3ccccc3C2)n1 ZINC000057506442 568846847 /nfs/dbraw/zinc/84/68/47/568846847.db2.gz DKYFFTUIAKQTCP-UHFFFAOYSA-N 0 0 408.889 3.407 50 0 HGAARN Cc1cc(=O)n(CC(=O)Nc2cc(F)ccc2F)c(N2CCc3ccccc3C2)n1 ZINC000057506578 568846862 /nfs/dbraw/zinc/84/68/62/568846862.db2.gz ZVSMPOARCDOBQN-UHFFFAOYSA-N 0 0 410.424 3.031 50 0 HGAARN Cc1cc(C)c(NC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)c(C)c1 ZINC000057507341 568846992 /nfs/dbraw/zinc/84/69/92/568846992.db2.gz BWJGBNDYUOSAEO-UHFFFAOYSA-N 0 0 402.458 3.199 50 0 HGAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000003229191 568847701 /nfs/dbraw/zinc/84/77/01/568847701.db2.gz CXRDSAMNKYXIPS-ZIAGYGMSSA-N 0 0 413.499 3.188 50 0 HGAARN CCOc1ccccc1-c1cc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000003236728 568847806 /nfs/dbraw/zinc/84/78/06/568847806.db2.gz LLKMXLYZACOMIE-UHFFFAOYSA-N 0 0 417.465 3.374 50 0 HGAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c1 ZINC000003242583 568847938 /nfs/dbraw/zinc/84/79/38/568847938.db2.gz QZXUFEYOLPTCNW-UHFFFAOYSA-N 0 0 412.515 3.464 50 0 HGAARN O=C(CSc1ccc2ccccc2c1Br)OCC(=O)N1CCOCC1 ZINC000003251376 568848971 /nfs/dbraw/zinc/84/89/71/568848971.db2.gz WPOQAYUIHQGPQH-UHFFFAOYSA-N 0 0 424.316 3.096 50 0 HGAARN CC(C)CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O ZINC000057526084 568850497 /nfs/dbraw/zinc/85/04/97/568850497.db2.gz GATJQYNPCFSGEO-UHFFFAOYSA-N 0 0 413.905 3.179 50 0 HGAARN CCc1sc2nc(SCC(=O)NC)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000003280836 568851067 /nfs/dbraw/zinc/85/10/67/568851067.db2.gz HTUKMAIFZIIVQH-UHFFFAOYSA-N 0 0 403.529 3.165 50 0 HGAARN COc1cccc([C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)c2nccn2C)c1 ZINC000012547504 568851383 /nfs/dbraw/zinc/85/13/83/568851383.db2.gz HIFNXMVMNBNVPF-KRWDZBQOSA-N 0 0 409.870 3.289 50 0 HGAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NCC(OC)OC)cc3NC2=O)cc1 ZINC000003060664 568852615 /nfs/dbraw/zinc/85/26/15/568852615.db2.gz IRSGZUOGYGKBAH-VCHYOVAHSA-N 0 0 414.483 3.129 50 0 HGAARN COc1cc(CC(=O)OCC(=O)c2ccccc2Br)cc(OC)c1OC ZINC000003296144 568852668 /nfs/dbraw/zinc/85/26/68/568852668.db2.gz AWPHREZIRVZZNS-UHFFFAOYSA-N 0 0 423.259 3.444 50 0 HGAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1cccc(F)c1 ZINC000012552165 568853570 /nfs/dbraw/zinc/85/35/70/568853570.db2.gz HTRDYTVCIZLWEO-IBGZPJMESA-N 0 0 414.458 3.480 50 0 HGAARN Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)no1 ZINC000012552810 568854577 /nfs/dbraw/zinc/85/45/77/568854577.db2.gz FJWRUYHYRQHBLN-UHFFFAOYSA-N 0 0 423.844 3.162 50 0 HGAARN C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(=O)c1cccc(Cl)c1 ZINC000012553368 568854603 /nfs/dbraw/zinc/85/46/03/568854603.db2.gz UXOUVKBJRWPAFG-SECBINFHSA-N 0 0 402.255 3.069 50 0 HGAARN C[C@@H]1Cc2cc(C3=NNC(=Nc4ccccc4)SC3)ccc2N1S(C)(=O)=O ZINC000012555064 568855225 /nfs/dbraw/zinc/85/52/25/568855225.db2.gz SKQNFPSHJPRRJW-CYBMUJFWSA-N 0 0 400.529 3.316 50 0 HGAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1N ZINC000003338374 568855467 /nfs/dbraw/zinc/85/54/67/568855467.db2.gz CUAWVEICROKPCL-UHFFFAOYSA-N 0 0 407.858 3.191 50 0 HGAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(F)cc1)C(F)(F)F ZINC000003103638 568855486 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O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1 ZINC000003134878 568857861 /nfs/dbraw/zinc/85/78/61/568857861.db2.gz YWJPJKVDZHUTDY-UHFFFAOYSA-N 0 0 405.332 3.148 50 0 HGAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc3c(C)cc(=O)oc3c1)C2=O ZINC000057722417 568858771 /nfs/dbraw/zinc/85/87/71/568858771.db2.gz JMCJOALKGQTRNC-UHFFFAOYSA-N 0 0 404.422 3.425 50 0 HGAARN O=C(Nc1nnc(C2CC2)s1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003428226 568859038 /nfs/dbraw/zinc/85/90/38/568859038.db2.gz VLJLAPNGLDWWCW-UHFFFAOYSA-N 0 0 411.464 3.045 50 0 HGAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CSCc2c(C)noc2C)c1C ZINC000003432348 568859184 /nfs/dbraw/zinc/85/91/84/568859184.db2.gz PRVCFYDYEUAPNQ-CQSZACIVSA-N 0 0 422.503 3.461 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1 ZINC000003532898 568861920 /nfs/dbraw/zinc/86/19/20/568861920.db2.gz KEJSMMOPNJYGCY-UHFFFAOYSA-N 0 0 404.557 3.082 50 0 HGAARN COc1cc(CCC(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OC ZINC000003217000 568862737 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C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](Cc1nc2ccccc2n1C)c1ccccc1 ZINC000012601277 568870073 /nfs/dbraw/zinc/87/00/73/568870073.db2.gz IWPIGCASDDLTCB-APWZRJJASA-N 0 0 416.481 3.385 50 0 HGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)Cn1cnc2ccccc21 ZINC000003280220 568871412 /nfs/dbraw/zinc/87/14/12/568871412.db2.gz YCJNUKRIKMNDJD-UHFFFAOYSA-N 0 0 415.471 3.073 50 0 HGAARN COc1ccc(N2C[C@@H](C(=O)NCCc3ccc(Cl)cc3)CC2=O)c(OC)c1 ZINC000012607905 568871534 /nfs/dbraw/zinc/87/15/34/568871534.db2.gz IATDTVOWSUHETG-HNNXBMFYSA-N 0 0 402.878 3.069 50 0 HGAARN COc1cccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)c1 ZINC000003285855 568872351 /nfs/dbraw/zinc/87/23/51/568872351.db2.gz ZANLVZJKESKAKY-UHFFFAOYSA-N 0 0 414.483 3.328 50 0 HGAARN O=C(/C=C/c1ccccc1F)N1CCC2(C[C@@H]2C(=O)NCCc2ccccn2)CC1 ZINC000299755049 568872744 /nfs/dbraw/zinc/87/27/44/568872744.db2.gz AMHKXNJFFHWCOA-NDDJGDGRSA-N 0 0 407.489 3.222 50 0 HGAARN O=C(/C=C/c1ccncc1)N1CCC[C@@H]2CN(C(=O)Cc3cccc(F)c3)CC[C@@H]21 ZINC000299758009 568872985 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COc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c(OC)c1 ZINC000015318885 568876958 /nfs/dbraw/zinc/87/69/58/568876958.db2.gz QHPQAYNCAPKIIF-UHFFFAOYSA-N 0 0 421.379 3.354 50 0 HGAARN CCN(c1ccc(NC(=O)/C=C/c2ccc(OCC(N)=O)c(OC)c2)cc1)C(C)C ZINC000030675522 568880948 /nfs/dbraw/zinc/88/09/48/568880948.db2.gz UIDTYVUUSIGFTH-NTUHNPAUSA-N 0 0 411.502 3.446 50 0 HGAARN CCCCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003326315 568881285 /nfs/dbraw/zinc/88/12/85/568881285.db2.gz UYIVYMULBBMDEV-UHFFFAOYSA-N 0 0 408.951 3.490 50 0 HGAARN Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2n1C ZINC000004061574 568881365 /nfs/dbraw/zinc/88/13/65/568881365.db2.gz HINARVISCHQVBB-UHFFFAOYSA-N 0 0 411.527 3.201 50 0 aggregator HGAARN CC(=O)Nc1ccccc1C(=O)C(=O)NCN1CCC(Cc2ccccc2C)CC1 ZINC000058080268 568883476 /nfs/dbraw/zinc/88/34/76/568883476.db2.gz ONUKWZQAABFBRV-UHFFFAOYSA-N 0 0 407.514 3.165 50 0 HGAARN O=C(CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCc1ccc(O)cc1 ZINC000263587987 568883500 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O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000012692622 568915538 /nfs/dbraw/zinc/91/55/38/568915538.db2.gz NUUWKUZUJXWYNI-UHFFFAOYSA-N 0 0 400.378 3.278 50 0 HGAARN COc1ccc([C@H]2CCCN2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000012692160 568915504 /nfs/dbraw/zinc/91/55/04/568915504.db2.gz IDKWMHUXCDHLCE-FYYLOGMGSA-N 0 0 410.514 3.441 50 0 HGAARN O=C(CCNC(=O)c1ccccc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000003565685 568916207 /nfs/dbraw/zinc/91/62/07/568916207.db2.gz VMJCRVCFWJIRRG-UHFFFAOYSA-N 0 0 420.538 3.460 50 0 HGAARN Cc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC000012698254 568916912 /nfs/dbraw/zinc/91/69/12/568916912.db2.gz LUTXVHMYJDRKEE-UHFFFAOYSA-N 0 0 406.360 3.265 50 0 HGAARN O=C(Cc1cccc2ccccc21)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004497606 568917723 /nfs/dbraw/zinc/91/77/23/568917723.db2.gz WCHLXLAWWZNLAP-SFHVURJKSA-N 0 0 402.450 3.075 50 0 HGAARN Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c(C)c1 ZINC000004165893 568918926 /nfs/dbraw/zinc/91/89/26/568918926.db2.gz KWGSYSUUKNJDNH-UHFFFAOYSA-N 0 0 407.861 3.491 50 0 HGAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)N2CCc3ccccc32)cc1 ZINC000004166589 568919161 /nfs/dbraw/zinc/91/91/61/568919161.db2.gz GCKRMJPUVUAIIU-UHFFFAOYSA-N 0 0 402.483 3.200 50 0 HGAARN COc1cccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)c1 ZINC000004166683 568919391 /nfs/dbraw/zinc/91/93/91/568919391.db2.gz YDBVWLFWWGDNLQ-UHFFFAOYSA-N 0 0 410.434 3.089 50 0 HGAARN COc1ccc(-c2nc(CCNS(=O)(=O)c3ccccc3)cs2)cc1OC ZINC000004166924 568919593 /nfs/dbraw/zinc/91/95/93/568919593.db2.gz MKHBROCJHYHNCT-UHFFFAOYSA-N 0 0 404.513 3.348 50 0 HGAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000003621869 568920714 /nfs/dbraw/zinc/92/07/14/568920714.db2.gz HJPQFIFDQLNFSQ-UHFFFAOYSA-N 0 0 403.434 3.479 50 0 HGAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N4CCCC4)cc3[nH]c2=S)c(OC)c1 ZINC000003630138 568921055 /nfs/dbraw/zinc/92/10/55/568921055.db2.gz PQNCYRZHZPIVIR-UHFFFAOYSA-N 0 0 411.483 3.301 50 0 HGAARN CC(C)CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012731156 568922545 /nfs/dbraw/zinc/92/25/45/568922545.db2.gz ZEWLGFHLQBXCLD-CQSZACIVSA-N 0 0 402.507 3.306 50 0 HGAARN C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388637 568923139 /nfs/dbraw/zinc/92/31/39/568923139.db2.gz CLZXGTNYJRVOQO-INIZCTEOSA-N 0 0 405.369 3.008 50 0 HGAARN O=C(NCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012733601 568924073 /nfs/dbraw/zinc/92/40/73/568924073.db2.gz LPZHYXHIBDNUIM-ZDUSSCGKSA-N 0 0 402.900 3.010 50 0 HGAARN O=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000001391943 568924522 /nfs/dbraw/zinc/92/45/22/568924522.db2.gz HKFWSDVGHNNVAD-UHFFFAOYSA-N 0 0 402.697 3.306 50 0 HGAARN COCCOc1ccccc1N1CCN(C(=O)[C@@H]2SCCc3ccccc32)CC1 ZINC000083911922 568924689 /nfs/dbraw/zinc/92/46/89/568924689.db2.gz KNFJTWLMYJIKQE-JOCHJYFZSA-N 0 0 412.555 3.391 50 0 HGAARN COc1cccc(N2CCN(C(=O)CCC(=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000031358486 568924928 /nfs/dbraw/zinc/92/49/28/568924928.db2.gz LDFNVAKRXLICMG-UHFFFAOYSA-N 0 0 412.486 3.024 50 0 HGAARN CC(=O)Nc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1Cl ZINC000012737736 568925329 /nfs/dbraw/zinc/92/53/29/568925329.db2.gz JBOITIONLGSUDE-UHFFFAOYSA-N 0 0 401.850 3.443 50 0 HGAARN Cc1csc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)n1 ZINC000012736430 568925503 /nfs/dbraw/zinc/92/55/03/568925503.db2.gz RGKBCAYIYGYTHV-MRXNPFEDSA-N 0 0 419.503 3.119 50 0 HGAARN Cc1ccc(-c2nc(CS[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC000031411902 568925718 /nfs/dbraw/zinc/92/57/18/568925718.db2.gz OYBUWOGTBDYDKZ-DZGCQCFKSA-N 0 0 410.586 3.044 50 0 HGAARN COc1cc(C(=O)N2CCSc3ccccc32)ccc1OCC(=O)NC(C)C ZINC000059273373 568927213 /nfs/dbraw/zinc/92/72/13/568927213.db2.gz UKLCDKYLIPPZKY-UHFFFAOYSA-N 0 0 400.500 3.351 50 0 HGAARN CC(C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1 ZINC000012740311 568928657 /nfs/dbraw/zinc/92/86/57/568928657.db2.gz SYARRQYYAXJCLM-SFHVURJKSA-N 0 0 401.532 3.087 50 0 HGAARN CCCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000012743016 568930057 /nfs/dbraw/zinc/93/00/57/568930057.db2.gz ZILHTOFPOMPGTN-LJQANCHMSA-N 0 0 406.523 3.412 50 0 HGAARN CN1C(=O)COc2ccc(-c3csc(NC(=O)C(Cl)(Cl)Cl)n3)cc21 ZINC000031773457 568930794 /nfs/dbraw/zinc/93/07/94/568930794.db2.gz QKOAUJMRFOAWCE-UHFFFAOYSA-N 0 0 406.678 3.474 50 0 HGAARN Cc1ccc(N2C(=O)CN([C@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000031773736 568930811 /nfs/dbraw/zinc/93/08/11/568930811.db2.gz IJAVEKWBJMDBBP-UIAACRFSSA-N 0 0 418.946 3.224 50 0 HGAARN CC(C)c1ccc(N2C(=O)CN([C@@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000031773823 568930888 /nfs/dbraw/zinc/93/08/88/568930888.db2.gz FGJVBPPXXDIVIB-BULFRSBZSA-N 0 0 412.555 3.385 50 0 HGAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000031808056 568931594 /nfs/dbraw/zinc/93/15/94/568931594.db2.gz LTYIMAYNKCSBRC-NSHDSACASA-N 0 0 413.363 3.340 50 0 HGAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000031806816 568931713 /nfs/dbraw/zinc/93/17/13/568931713.db2.gz IMAHHXPNYRAQDU-HNNXBMFYSA-N 0 0 411.878 3.275 50 0 HGAARN CN1CCCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000012746788 568932780 /nfs/dbraw/zinc/93/27/80/568932780.db2.gz RQFHRSCRERWAML-UHFFFAOYSA-N 0 0 423.904 3.276 50 0 HGAARN Cc1ccc(S(=O)(=O)C2=C(NN)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000001413389 568933447 /nfs/dbraw/zinc/93/34/47/568933447.db2.gz VNTOLJSMMKLQPQ-OAQYLSRUSA-N 0 0 419.506 3.232 50 0 HGAARN COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1nc(-c2ccccn2)no1 ZINC000670455599 568933554 /nfs/dbraw/zinc/93/35/54/568933554.db2.gz GZCVNUHNZFPTFC-ZDUSSCGKSA-N 0 0 402.476 3.303 50 0 HGAARN CN(C)c1ccc(NC(=O)CN(Cc2cccnc2)C(=O)Cc2ccccc2)cc1 ZINC000001418779 568934974 /nfs/dbraw/zinc/93/49/74/568934974.db2.gz VSVQEPABCNEPHL-UHFFFAOYSA-N 0 0 402.498 3.358 50 0 HGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000016649913 568935165 /nfs/dbraw/zinc/93/51/65/568935165.db2.gz QFVAJUHRNUBWLP-UHFFFAOYSA-N 0 0 414.955 3.198 50 0 HGAARN Cc1cc(OC[C@@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)c(C(C)C)cc1Cl ZINC000084077160 568936041 /nfs/dbraw/zinc/93/60/41/568936041.db2.gz QMECXDIEICFUGZ-VBKZILBWSA-N 0 0 411.951 3.394 50 0 HGAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCc2cccnc2)cc1 ZINC000004057006 568936619 /nfs/dbraw/zinc/93/66/19/568936619.db2.gz FRXQXSXYIQPYPL-QFIPXVFZSA-N 0 0 401.466 3.494 50 0 HGAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)cc1 ZINC000012749555 568937392 /nfs/dbraw/zinc/93/73/92/568937392.db2.gz GJDUUYSXYTVTPL-DEOSSOPVSA-N 0 0 406.482 3.310 50 0 HGAARN C[C@]12C(=O)N(c3ccccc3C(=O)NC3CC3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000004073503 568937875 /nfs/dbraw/zinc/93/78/75/568937875.db2.gz LDDUBPASZDDYBY-DEOSSOPVSA-N 0 0 414.465 3.300 50 0 biogenic HGAARN O=C(COc1ccccc1)Nc1nnc(SCC(=O)Nc2ccccc2)s1 ZINC000004077718 568938386 /nfs/dbraw/zinc/93/83/86/568938386.db2.gz ZLSVHQVRMYWWQR-UHFFFAOYSA-N 0 0 400.485 3.286 50 0 HGAARN Cn1c2nc(Oc3ccc(Cl)cc3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000001425463 568939045 /nfs/dbraw/zinc/93/90/45/568939045.db2.gz PNCGFYGETUVBGG-UHFFFAOYSA-N 0 0 414.824 3.067 50 0 biogenic HGAARN COc1ccc(C)cc1N1C[C@H](C(=O)N(C[C@@H](O)c2ccccc2)C2CC2)CC1=O ZINC000084144644 568940194 /nfs/dbraw/zinc/94/01/94/568940194.db2.gz VIQDXTWEKOFWEP-WIYYLYMNSA-N 0 0 408.498 3.081 50 0 HGAARN CC(=O)Nc1ccc(CC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012751402 568940836 /nfs/dbraw/zinc/94/08/36/568940836.db2.gz MIYFPUIHRSGSMG-UHFFFAOYSA-N 0 0 422.481 3.080 50 0 HGAARN CCc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@H]4CCCO4)c12)OC(C)(C)CC3 ZINC000004089162 568941427 /nfs/dbraw/zinc/94/14/27/568941427.db2.gz CKCXYLNQPCMJKJ-OAHLLOKOSA-N 0 0 415.486 3.133 50 0 biogenic HGAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 ZINC000012754967 568942643 /nfs/dbraw/zinc/94/26/43/568942643.db2.gz WPMNWSSCXHHLCE-UHFFFAOYSA-N 0 0 410.499 3.426 50 0 HGAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nc3ccccc3[nH]2)Cc2ccco2)cc1 ZINC000012755096 568942722 /nfs/dbraw/zinc/94/27/22/568942722.db2.gz DVVRLWKXTNEOQA-UHFFFAOYSA-N 0 0 424.482 3.294 50 0 HGAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)C[S@](=O)C3)c1C ZINC000004105706 568943083 /nfs/dbraw/zinc/94/30/83/568943083.db2.gz SMGZXEJLNCDYAE-GDLZYMKVSA-N 0 0 409.467 3.232 50 0 HGAARN CC[C@@H](NC(=O)Cn1c2ccccc2n(C)c1=O)c1ccc(Br)cc1 ZINC000012757541 568943190 /nfs/dbraw/zinc/94/31/90/568943190.db2.gz OSDIVADCUWWHCC-OAHLLOKOSA-N 0 0 402.292 3.370 50 0 HGAARN COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)c(OC)c1 ZINC000004106285 568943265 /nfs/dbraw/zinc/94/32/65/568943265.db2.gz WLCCDJDTESCPSE-GDLZYMKVSA-N 0 0 415.446 3.043 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000012758396 568943436 /nfs/dbraw/zinc/94/34/36/568943436.db2.gz ISYJYQROQKRZNN-QGZVFWFLSA-N 0 0 410.442 3.388 50 0 HGAARN COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(c1=O)S[C@H](C)C2 ZINC000004108028 568943802 /nfs/dbraw/zinc/94/38/02/568943802.db2.gz CDGQLMFLEAAJFL-CQSZACIVSA-N 0 0 419.572 3.274 50 0 HGAARN COc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000012759782 568944000 /nfs/dbraw/zinc/94/40/00/568944000.db2.gz TZFYHEZWMUFGLI-INIZCTEOSA-N 0 0 421.346 3.392 50 0 HGAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4cccc(C)c4C)CC3)n2)cc1 ZINC000012757251 568944252 /nfs/dbraw/zinc/94/42/52/568944252.db2.gz RUCLTQJVGNIHKC-UHFFFAOYSA-N 0 0 420.513 3.385 50 0 HGAARN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1 ZINC000084190235 568944412 /nfs/dbraw/zinc/94/44/12/568944412.db2.gz FOCVQNHSXJUQAJ-UHFFFAOYSA-N 0 0 413.499 3.438 50 0 HGAARN Cc1ccc(-c2nc(C(=O)Nc3ncnc4c3c(Br)nn4C)cs2)o1 ZINC000084195532 568944449 /nfs/dbraw/zinc/94/44/49/568944449.db2.gz RJEIXKVRBXCLFF-UHFFFAOYSA-N 0 0 419.264 3.403 50 0 HGAARN COc1cccc(NC(=O)CN(C)Cc2cc3c(cc2Br)OCCO3)c1 ZINC000012760660 568945021 /nfs/dbraw/zinc/94/50/21/568945021.db2.gz QVSIBDHEZOOXOR-UHFFFAOYSA-N 0 0 421.291 3.299 50 0 HGAARN CC(=O)NCC(=O)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000004128283 568945193 /nfs/dbraw/zinc/94/51/93/568945193.db2.gz 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CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000012934583 569026032 /nfs/dbraw/zinc/02/60/32/569026032.db2.gz VNKDBYWHKRYHHW-FQEVSTJZSA-N 0 0 407.514 3.221 50 0 HGAARN Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc2ccccn2)c2ccccc21 ZINC000575442938 569028053 /nfs/dbraw/zinc/02/80/53/569028053.db2.gz AUYBQMPMSLTAEO-HXUWFJFHSA-N 0 0 422.529 3.368 50 0 HGAARN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)CSc2ccc(F)cc2)c(C)c1 ZINC000012939343 569028168 /nfs/dbraw/zinc/02/81/68/569028168.db2.gz XNYVBUHBDPQVIB-UHFFFAOYSA-N 0 0 418.490 3.141 50 0 HGAARN CCCc1cc(=O)[nH]c(SCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)n1 ZINC000016049248 569028492 /nfs/dbraw/zinc/02/84/92/569028492.db2.gz FGSSVTMOTXCIJY-UHFFFAOYSA-N 0 0 418.475 3.091 50 0 HGAARN C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000575443683 569028543 /nfs/dbraw/zinc/02/85/43/569028543.db2.gz HUSCRQYRBUGDMK-HSZRJFAPSA-N 0 0 405.454 3.459 50 0 HGAARN O=C(NCc1ccc(N2CCCC2)nc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000012944126 569028815 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O=C(CN1CCN(C(=O)c2ccco2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000035344236 569033363 /nfs/dbraw/zinc/03/33/63/569033363.db2.gz XHSHJJRIIXMPGB-OAQYLSRUSA-N 0 0 409.511 3.005 50 0 HGAARN COc1ccc2c(c1)c(C(=O)CN1CCN(C(=O)c3ccccc3)CC1)c(C)n2C ZINC000035366014 569033608 /nfs/dbraw/zinc/03/36/08/569033608.db2.gz ZDMUPUVPUVVGDV-UHFFFAOYSA-N 0 0 405.498 3.136 50 0 HGAARN Cn1cc([C@@H](CC(=O)NCCN2CCOCC2)c2ccc(F)cc2)c2ccccc21 ZINC000035371548 569033831 /nfs/dbraw/zinc/03/38/31/569033831.db2.gz YZLITEZOBOTXQZ-NRFANRHFSA-N 0 0 409.505 3.288 50 0 HGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)C[C@H](C)O1 ZINC000006236232 569034010 /nfs/dbraw/zinc/03/40/10/569034010.db2.gz SPKXZZJBMSNUBH-IYBDPMFKSA-N 0 0 414.527 3.226 50 0 HGAARN COc1cccc(NC(=O)CCc2nc(-c3cc4cccc(C)c4[nH]c3=O)no2)c1 ZINC000035373390 569034151 /nfs/dbraw/zinc/03/41/51/569034151.db2.gz PWRWDIPYSPELNK-UHFFFAOYSA-N 0 0 404.426 3.466 50 0 HGAARN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1 ZINC000035396971 569034781 /nfs/dbraw/zinc/03/47/81/569034781.db2.gz PBYSIFLNDLRWJR-UHFFFAOYSA-N 0 0 406.461 3.180 50 0 HGAARN NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000035400235 569035442 /nfs/dbraw/zinc/03/54/42/569035442.db2.gz KOEZELIRVBMDSE-SFHVURJKSA-N 0 0 416.506 3.064 50 0 HGAARN COc1cccc(CNC(=O)CN2CC=C(c3cnn(-c4ccccc4)c3)CC2)c1 ZINC000035404236 569035690 /nfs/dbraw/zinc/03/56/90/569035690.db2.gz MOJBOGXVFHAHQN-UHFFFAOYSA-N 0 0 402.498 3.286 50 0 HGAARN CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264164 569036178 /nfs/dbraw/zinc/03/61/78/569036178.db2.gz COYIMEITIZUVMK-YFXJRYMSSA-N 0 0 404.551 3.375 50 0 biogenic HGAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1nc(C2CCSCC2)no1 ZINC000575615770 569036412 /nfs/dbraw/zinc/03/64/12/569036412.db2.gz FYOYCRQYEUERAN-UHFFFAOYSA-N 0 0 421.466 3.319 50 0 HGAARN COc1ccc(NC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000035429359 569036676 /nfs/dbraw/zinc/03/66/76/569036676.db2.gz AGHSZMVECNXMOG-UHFFFAOYSA-N 0 0 404.470 3.499 50 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569037302 /nfs/dbraw/zinc/03/73/02/569037302.db2.gz ORKSANQYTASJKJ-FQEVSTJZSA-N 0 0 417.509 3.308 50 0 HGAARN CC(C)c1ccc(NC(=O)CN2CCCN(Cc3ccccc3)S2(=O)=O)cc1 ZINC000035447189 569037356 /nfs/dbraw/zinc/03/73/56/569037356.db2.gz STLLOBZNYRZLIU-UHFFFAOYSA-N 0 0 401.532 3.201 50 0 HGAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCc1ccco1)c(C)n2C ZINC000035448690 569037465 /nfs/dbraw/zinc/03/74/65/569037465.db2.gz BXKFSVMHTMTNFN-UHFFFAOYSA-N 0 0 404.470 3.159 50 0 HGAARN Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1C ZINC000035456042 569037834 /nfs/dbraw/zinc/03/78/34/569037834.db2.gz VAGNRBNXUVZUIK-UHFFFAOYSA-N 0 0 416.525 3.366 50 0 HGAARN Cc1ccc(F)cc1NC(=O)Cn1c(C)nc2c(c1=O)CCN(Cc1ccccc1)C2 ZINC000035456092 569037958 /nfs/dbraw/zinc/03/79/58/569037958.db2.gz XKJLANPQLGNVCH-UHFFFAOYSA-N 0 0 420.488 3.196 50 0 HGAARN O=C(c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O)N1CCCC1 ZINC000035459024 569037981 /nfs/dbraw/zinc/03/79/81/569037981.db2.gz BPYLQANAGVTCFB-OAQYLSRUSA-N 0 0 403.482 3.074 50 0 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411.424 3.167 50 0 HGAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O ZINC000229732524 569040663 /nfs/dbraw/zinc/04/06/63/569040663.db2.gz GSJSJSWUMWTNQY-PEELUZDISA-N 0 0 411.424 3.167 50 0 HGAARN COc1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccccc2)cc1Cl ZINC000035503992 569040772 /nfs/dbraw/zinc/04/07/72/569040772.db2.gz VFLOCPKLTWMFRF-UHFFFAOYSA-N 0 0 408.845 3.488 50 0 HGAARN COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(Cl)c1OCC(N)=O ZINC000012906651 569040774 /nfs/dbraw/zinc/04/07/74/569040774.db2.gz JJBUTJDLFUGTLF-NSHDSACASA-N 0 0 402.834 3.450 50 0 HGAARN CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000035504019 569040778 /nfs/dbraw/zinc/04/07/78/569040778.db2.gz QXFQOQHOMSQRLQ-UHFFFAOYSA-N 0 0 416.437 3.117 50 0 HGAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N3CCOc4ccccc43)cc21 ZINC000035504659 569040817 /nfs/dbraw/zinc/04/08/17/569040817.db2.gz YVVPBOUXMDHBQT-UHFFFAOYSA-N 0 0 404.513 3.123 50 0 HGAARN COC(=O)c1sccc1NC(=O)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000035505203 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CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)NCCC2=CCCCC2)cc1 ZINC000007801580 569311686 /nfs/dbraw/zinc/31/16/86/569311686.db2.gz RNPLEYLCTADHCV-UHFFFAOYSA-N 0 0 400.519 3.264 50 0 HGAARN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000007814814 569312685 /nfs/dbraw/zinc/31/26/85/569312685.db2.gz RAMNYKZSHWPNMT-HILYYZTDSA-N 0 0 406.548 3.203 50 0 HGAARN O=C(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000007814255 569312687 /nfs/dbraw/zinc/31/26/87/569312687.db2.gz KDZJXGFIUOVUDI-CYBMUJFWSA-N 0 0 419.938 3.480 50 0 HGAARN Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(C)s1 ZINC000007820385 569312860 /nfs/dbraw/zinc/31/28/60/569312860.db2.gz KKMMKPVOHUBQLQ-UHFFFAOYSA-N 0 0 410.289 3.283 50 0 HGAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 ZINC000007821874 569312983 /nfs/dbraw/zinc/31/29/83/569312983.db2.gz VGFFZTPYAFJSIP-LMKMVOKYSA-N 0 0 417.509 3.136 50 0 HGAARN COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(F)cc3nccnc32)CC1 ZINC000195694365 569313486 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ZINC000001131873 569356742 /nfs/dbraw/zinc/35/67/42/569356742.db2.gz ZOHPBAKJKWPQEB-AABGKKOBSA-N 0 0 404.576 3.434 50 0 HGAARN CCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000019925668 569357525 /nfs/dbraw/zinc/35/75/25/569357525.db2.gz VNWISVGYXYAXPJ-GOSISDBHSA-N 0 0 410.923 3.285 50 0 HGAARN COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)Nc1cccc(C)c1 ZINC000019927604 569357562 /nfs/dbraw/zinc/35/75/62/569357562.db2.gz QZSFDYIAHCWBAK-UHFFFAOYSA-N 0 0 401.511 3.145 50 0 HGAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H](OC(C)=O)[C@@]2(O)C1 ZINC000025553872 569357652 /nfs/dbraw/zinc/35/76/52/569357652.db2.gz OPSNFNKUVFNPRH-HQCQNFTQSA-N 0 0 406.519 3.186 50 0 HGAARN CC[C@@H](C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2[nH]1 ZINC000253395160 569365183 /nfs/dbraw/zinc/36/51/83/569365183.db2.gz ZVYDJVUQKAUSES-IVZQSRNASA-N 0 0 407.518 3.292 50 0 HGAARN CCNC(=O)N1CCN(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)CC1 ZINC000253396872 569365273 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COc1ccc(C2=NN(C(=O)COc3ccccc3C)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000027570364 569374145 /nfs/dbraw/zinc/37/41/45/569374145.db2.gz VKHRQGFZHCYYHW-IBGZPJMESA-N 0 0 408.376 3.270 50 0 HGAARN O=C(NCCn1cc(-c2ccccc2)cn1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000253471504 569381084 /nfs/dbraw/zinc/38/10/84/569381084.db2.gz CZLMNMMVWCMYQP-KRWDZBQOSA-N 0 0 408.889 3.373 50 0 HGAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@](O)(c1ccsc1)c1ccco1 ZINC000253473430 569381567 /nfs/dbraw/zinc/38/15/67/569381567.db2.gz UWGKPOAOSGXSBX-LJQANCHMSA-N 0 0 404.875 3.294 50 0 HGAARN Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CSc1nnnn1-c1ccccc1 ZINC000253495735 569381936 /nfs/dbraw/zinc/38/19/36/569381936.db2.gz PAQHQHVXZHAJAM-UHFFFAOYSA-N 0 0 417.494 3.468 50 0 HGAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)CN1Cc1ccccc1 ZINC000055153816 569391451 /nfs/dbraw/zinc/39/14/51/569391451.db2.gz YGWBMQVRSNWVEW-NQIIRXRSSA-N 0 0 405.498 3.331 50 0 HGAARN CC(C)c1cc(C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)n(-c2ccccc2)n1 ZINC000225409983 569393997 /nfs/dbraw/zinc/39/39/97/569393997.db2.gz TVFYJNOFAIAULH-MSOLQXFVSA-N 0 0 402.498 3.417 50 0 biogenic HGAARN CC(C)c1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002406080 569396054 /nfs/dbraw/zinc/39/60/54/569396054.db2.gz PTQHKOKHKHKSHH-FUHWJXTLSA-N 0 0 405.516 3.386 50 0 HGAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCO ZINC000002419536 569397735 /nfs/dbraw/zinc/39/77/35/569397735.db2.gz GNTFJZRWBHIRIY-MRXNPFEDSA-N 0 0 418.218 3.232 50 0 HGAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000002425504 569398482 /nfs/dbraw/zinc/39/84/82/569398482.db2.gz FBYLKHGXVAEKFX-MSOLQXFVSA-N 0 0 403.442 3.086 50 0 HGAARN COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000002427298 569398730 /nfs/dbraw/zinc/39/87/30/569398730.db2.gz YYELQKKSGFZIGL-MSOLQXFVSA-N 0 0 421.432 3.226 50 0 HGAARN CC(C)Cn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002435723 569399618 /nfs/dbraw/zinc/39/96/18/569399618.db2.gz 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CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2c(C)cccc2C)c1C ZINC000067323621 571079111 /nfs/dbraw/zinc/07/91/11/571079111.db2.gz CGZMQAHJKJTGQM-UHFFFAOYSA-N 0 0 407.474 3.493 50 0 HGAARN CCOc1ccc(S(=O)(=O)C(=CNc2ccc(OC)c(OC)c2)C(=O)OC)cc1 ZINC000067340339 571080846 /nfs/dbraw/zinc/08/08/46/571080846.db2.gz YMXYZMHBBSBSBA-CPNJWEJPSA-N 0 0 421.471 3.003 50 0 HGAARN Cc1ccc(NC(=O)Cn2c(C)nc3c(-c4ccccn4)nsc3c2=O)c(C)c1 ZINC000067350131 571081627 /nfs/dbraw/zinc/08/16/27/571081627.db2.gz NXQDOHNJIRIUSZ-UHFFFAOYSA-N 0 0 405.483 3.479 50 0 HGAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(F)c(F)c1)CC3 ZINC000067349962 571081707 /nfs/dbraw/zinc/08/17/07/571081707.db2.gz WSGUVQHUDWYPJZ-UHFFFAOYSA-N 0 0 413.424 3.120 50 0 HGAARN Cc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2cccc(Cl)c2)cc1 ZINC000008583958 571083141 /nfs/dbraw/zinc/08/31/41/571083141.db2.gz SASRHMGCDOYTIC-UHFFFAOYSA-N 0 0 419.872 3.304 50 0 HGAARN COc1cc(-c2nnc(SCC(=O)Oc3ccccc3)o2)cc(OC)c1OC ZINC000008587412 571083786 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O=S(=O)(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccccc1F ZINC000009569573 571268647 /nfs/dbraw/zinc/26/86/47/571268647.db2.gz KQHMGPPGHCDTRX-UHFFFAOYSA-N 0 0 420.466 3.257 50 0 HGAARN CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)nn1 ZINC000009572683 571269201 /nfs/dbraw/zinc/26/92/01/571269201.db2.gz OFEQUTYTKWMUTG-UHFFFAOYSA-N 0 0 423.903 3.001 50 0 HGAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CCO)Cc3ccccc3)c2)cc1 ZINC000009588813 571271610 /nfs/dbraw/zinc/27/16/10/571271610.db2.gz HDEPIOSVJPUUBB-UHFFFAOYSA-N 0 0 424.522 3.431 50 0 HGAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1 ZINC000009626693 571274516 /nfs/dbraw/zinc/27/45/16/571274516.db2.gz IJDIOXBZQGHSLY-UHFFFAOYSA-N 0 0 417.874 3.218 50 0 HGAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009634541 571275091 /nfs/dbraw/zinc/27/50/91/571275091.db2.gz VCFLDDIXRCKQJT-UHFFFAOYSA-N 0 0 411.459 3.114 50 0 HGAARN COc1ccccc1OCCSc1nc(-c2cccc(F)c2)nc2cc(=O)[nH]n21 ZINC000009640999 571275795 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C[C@@H](NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc21)c1ccccc1 ZINC000009708093 571280848 /nfs/dbraw/zinc/28/08/48/571280848.db2.gz UXHFHQHVAQQBRI-WZONZLPQSA-N 0 0 414.509 3.179 50 0 HGAARN NS(=O)(=O)c1ccc(OCCSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000009712616 571281172 /nfs/dbraw/zinc/28/11/72/571281172.db2.gz FYHXTDPTNVRYEC-UHFFFAOYSA-N 0 0 422.557 3.160 50 0 HGAARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000009712670 571281247 /nfs/dbraw/zinc/28/12/47/571281247.db2.gz WEGCAKCYMMYSKQ-UHFFFAOYSA-N 0 0 416.480 3.237 50 0 HGAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)ncn3n2)cc1 ZINC000009727279 571282442 /nfs/dbraw/zinc/28/24/42/571282442.db2.gz KOUPRLQCXJXCQK-UHFFFAOYSA-N 0 0 421.888 3.090 50 0 HGAARN COc1cccc2sc(N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)nc21 ZINC000070973441 571283936 /nfs/dbraw/zinc/28/39/36/571283936.db2.gz MASAWDUBQXCTBP-UHFFFAOYSA-N 0 0 412.515 3.216 50 0 HGAARN Cn1c2nc3oc(-c4ccc(Cl)cc4)cn3c2c(=O)n(Cc2ccccc2)c1=O ZINC000009789742 571285472 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COc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](C)c2cc(C)ccc2OC)cc1 ZINC000009919271 571290197 /nfs/dbraw/zinc/29/01/97/571290197.db2.gz IYUQBFAITPWQIM-CQSZACIVSA-N 0 0 412.515 3.437 50 0 HGAARN O=C(c1cccc2ccccc21)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000009916091 571290220 /nfs/dbraw/zinc/29/02/20/571290220.db2.gz BOISQXUVSLJQSF-UHFFFAOYSA-N 0 0 416.449 3.265 50 0 HGAARN COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl ZINC000009944283 571291104 /nfs/dbraw/zinc/29/11/04/571291104.db2.gz XOIMEYIJGRMJPO-UHFFFAOYSA-N 0 0 420.270 3.355 50 0 HGAARN Cc1nn2c(-c3ccc(S(=O)(=O)NCc4ccccc4)o3)nnc2c2ccccc12 ZINC000009942711 571291186 /nfs/dbraw/zinc/29/11/86/571291186.db2.gz GWJZNDLREXJYJR-UHFFFAOYSA-N 0 0 419.466 3.324 50 0 HGAARN CCOC(=O)C1=C(COC(=O)c2cccc(C)c2C)NC(=O)N[C@H]1c1cccs1 ZINC000009949868 571291372 /nfs/dbraw/zinc/29/13/72/571291372.db2.gz QRPMLMAUGUZNBW-SFHVURJKSA-N 0 0 414.483 3.393 50 0 HGAARN COc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1 ZINC000009952201 571291525 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HGAARN Cc1cc2ncc(C(=O)Nn3cnc4scc(-c5ccccc5)c4c3=O)c(C)n2n1 ZINC000012976082 558491569 /nfs/dbraw/zinc/49/15/69/558491569.db2.gz HUZNXOTVHAPRML-UHFFFAOYSA-N 0 0 416.466 3.168 50 0 HGAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2=O)cc1 ZINC000012977956 558492389 /nfs/dbraw/zinc/49/23/89/558492389.db2.gz ZNASKEYJCOGBAN-INIZCTEOSA-N 0 0 407.470 3.204 50 0 HGAARN C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000012984598 558494822 /nfs/dbraw/zinc/49/48/22/558494822.db2.gz DRGXTJULSYARPQ-HNNXBMFYSA-N 0 0 422.572 3.421 50 0 HGAARN CCOc1ccc(CN(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000012987939 558496076 /nfs/dbraw/zinc/49/60/76/558496076.db2.gz OHERSFIMAUUDJG-UHFFFAOYSA-N 0 0 407.488 3.076 50 0 HGAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(-c2ccsc2)n1 ZINC000012998247 558499460 /nfs/dbraw/zinc/49/94/60/558499460.db2.gz PXGXVMJWDZIVBQ-UHFFFAOYSA-N 0 0 423.541 3.383 50 0 HGAARN CCc1ccc(NC(=O)[C@H](C)N2CCN(CCOc3ccc(OC)cc3)CC2)cc1 ZINC000022772801 558509045 /nfs/dbraw/zinc/50/90/45/558509045.db2.gz XXZREPZHVKZYOE-IBGZPJMESA-N 0 0 411.546 3.281 50 0 HGAARN CC[C@@H](NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1 ZINC000022773040 558509123 /nfs/dbraw/zinc/50/91/23/558509123.db2.gz RRHOSJSTYMENRT-OAQYLSRUSA-N 0 0 409.530 3.109 50 0 HGAARN O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NCc1ccccc1 ZINC000013058092 558509207 /nfs/dbraw/zinc/50/92/07/558509207.db2.gz XXDKLUREDCBXRZ-UHFFFAOYSA-N 0 0 412.843 3.192 50 0 HGAARN O=c1[nH]c(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 ZINC000022802223 558513163 /nfs/dbraw/zinc/51/31/63/558513163.db2.gz MEXXOYWDRQZOAU-UHFFFAOYSA-N 0 0 402.420 3.260 50 0 HGAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NCC(=O)NCc2cccs2)c1 ZINC000022811054 558513990 /nfs/dbraw/zinc/51/39/90/558513990.db2.gz UNSPMFBLXRZHJQ-UHFFFAOYSA-N 0 0 415.540 3.302 50 0 HGAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1Cl ZINC000022808728 558514040 /nfs/dbraw/zinc/51/40/40/558514040.db2.gz XRXRCXSCBAOELG-UHFFFAOYSA-N 0 0 423.952 3.477 50 0 HGAARN C[C@@H]1CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)C[C@H](C)O1 ZINC000013114749 558515801 /nfs/dbraw/zinc/51/58/01/558515801.db2.gz CBTLWJAWZHXEIU-OKILXGFUSA-N 0 0 411.531 3.489 50 0 HGAARN O=C(c1ccco1)N1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000013117519 558516444 /nfs/dbraw/zinc/51/64/44/558516444.db2.gz HRGHYIYMRXWUNG-UHFFFAOYSA-N 0 0 420.494 3.203 50 0 HGAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc2nsnc21 ZINC000022869073 558518052 /nfs/dbraw/zinc/51/80/52/558518052.db2.gz VRWROGGGKFHGKX-UHFFFAOYSA-N 0 0 421.482 3.348 50 0 HGAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1OC[C@H]1CCCO1 ZINC000022872177 558518129 /nfs/dbraw/zinc/51/81/29/558518129.db2.gz BHTJXZJMLFCOBM-OAQYLSRUSA-N 0 0 410.514 3.007 50 0 HGAARN CCOc1ccc(-c2nn(CN3CCN(Cc4ccccn4)CC3)c(=S)o2)cc1 ZINC000022924737 558522857 /nfs/dbraw/zinc/52/28/57/558522857.db2.gz ZGNCHNSHTGBCLK-UHFFFAOYSA-N 0 0 411.531 3.442 50 0 HGAARN C[C@@H](C(=O)NCc1cccs1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000022931675 558524395 /nfs/dbraw/zinc/52/43/95/558524395.db2.gz XWMMHLGNZCWZIO-INIZCTEOSA-N 0 0 407.967 3.103 50 0 HGAARN COc1ccccc1CNC(=O)[C@@H](C)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022932457 558524728 /nfs/dbraw/zinc/52/47/28/558524728.db2.gz SBKAVQFJUWUHIA-OAHLLOKOSA-N 0 0 407.967 3.233 50 0 HGAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)C2=O ZINC000022983649 558528962 /nfs/dbraw/zinc/52/89/62/558528962.db2.gz NFCBSBRTALTJKA-VBKZILBWSA-N 0 0 423.966 3.190 50 0 HGAARN CCOC(=O)C1CCN(C(=O)CSc2nccn2-c2cccc(Cl)c2)CC1 ZINC000010875634 558531699 /nfs/dbraw/zinc/53/16/99/558531699.db2.gz QLWIXRJDSOIVDM-UHFFFAOYSA-N 0 0 407.923 3.420 50 0 HGAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)NCc1ccc(F)cc1 ZINC000023055186 558532344 /nfs/dbraw/zinc/53/23/44/558532344.db2.gz LCUOOGJLHGCDGL-UHFFFAOYSA-N 0 0 404.239 3.005 50 0 HGAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cnn(-c2ccccc2)n1 ZINC000023120961 558535518 /nfs/dbraw/zinc/53/55/18/558535518.db2.gz QTOJCLARAQKQPM-UHFFFAOYSA-N 0 0 422.876 3.210 50 0 HGAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cn1 ZINC000023143458 558537790 /nfs/dbraw/zinc/53/77/90/558537790.db2.gz ZRMMQFZZWXKIFK-UHFFFAOYSA-N 0 0 416.286 3.090 50 0 HGAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nccn2-c2ccccc2C)CC1 ZINC000010883160 558537891 /nfs/dbraw/zinc/53/78/91/558537891.db2.gz ZRKUQAZFQBWWAK-MRXNPFEDSA-N 0 0 401.532 3.463 50 0 HGAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000023150324 558538793 /nfs/dbraw/zinc/53/87/93/558538793.db2.gz YWHWNNNXTGWVEF-JMERFSKESA-N 0 0 411.424 3.383 50 0 HGAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000013557178 558540259 /nfs/dbraw/zinc/54/02/59/558540259.db2.gz CYTJZHFCFDYJGP-XXBNENTESA-N 0 0 418.405 3.378 50 0 HGAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 ZINC000013565838 558540971 /nfs/dbraw/zinc/54/09/71/558540971.db2.gz OEIJDJSWVSUQNT-UHFFFAOYSA-N 0 0 417.270 3.127 50 0 HGAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)C1=O ZINC000023227130 558543439 /nfs/dbraw/zinc/54/34/39/558543439.db2.gz HJXQIKATHMFVGB-MRXNPFEDSA-N 0 0 410.908 3.184 50 0 HGAARN COc1ccc(CN2CCN(Cn3c4ccc(Cl)cc4oc3=O)CC2)cc1OC ZINC000023257156 558546418 /nfs/dbraw/zinc/54/64/18/558546418.db2.gz QJFSCGJTMSKIFE-UHFFFAOYSA-N 0 0 417.893 3.040 50 0 HGAARN O=C(c1cccs1)N1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000023260153 558546895 /nfs/dbraw/zinc/54/68/95/558546895.db2.gz QMUKUQDKWAZREC-UHFFFAOYSA-N 0 0 423.332 3.240 50 0 HGAARN O=C(CSc1nc2ccccc2s1)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000023295874 558548063 /nfs/dbraw/zinc/54/80/63/558548063.db2.gz HDOZQTBROQPCJZ-KRWDZBQOSA-N 0 0 413.568 3.406 50 0 HGAARN O=C(CCc1nnc(COc2ccccc2)o1)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000023312385 558548562 /nfs/dbraw/zinc/54/85/62/558548562.db2.gz HJYRDGJCDLIDFI-HXUWFJFHSA-N 0 0 422.485 3.184 50 0 HGAARN CC(C)OC(=O)[C@@H]1[C@@H](/C=C/c2ccccc2)[C@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O ZINC000012661242 558548801 /nfs/dbraw/zinc/54/88/01/558548801.db2.gz WAWRHMOJAIJNCG-RTKFNEBASA-N 0 0 402.487 3.175 50 0 biogenic HGAARN COc1ccc([C@H]2CCCN2C(=O)c2cccc(NS(C)(=O)=O)c2)c(OC)c1 ZINC000023313135 558548906 /nfs/dbraw/zinc/54/89/06/558548906.db2.gz ADPLFMYNVTVZRC-GOSISDBHSA-N 0 0 404.488 3.053 50 0 HGAARN OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccsc1 ZINC000023359853 558551840 /nfs/dbraw/zinc/55/18/40/558551840.db2.gz UHABOMSAXBZJBE-HXUWFJFHSA-N 0 0 410.543 3.399 50 0 HGAARN Cc1ccccc1NC(=O)C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382170 558555540 /nfs/dbraw/zinc/55/55/40/558555540.db2.gz MQOUATBBLQJXPC-OXQOHEQNSA-N 0 0 404.470 3.440 50 0 HGAARN Cc1nc(C2(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)CCCCC2)no1 ZINC000023507882 558560453 /nfs/dbraw/zinc/56/04/53/558560453.db2.gz ODSKPBYFDIRKFB-UHFFFAOYSA-N 0 0 421.501 3.404 50 0 HGAARN COC(=O)c1ccoc1COC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C ZINC000023570449 558562573 /nfs/dbraw/zinc/56/25/73/558562573.db2.gz FBQKHBLZWISXRF-UHFFFAOYSA-N 0 0 409.320 3.331 50 0 HGAARN CCOc1ccc(-n2ncc(C(=O)OCc3coc(-c4cccs4)n3)c2C)nn1 ZINC000023572033 558562633 /nfs/dbraw/zinc/56/26/33/558562633.db2.gz SREXXNPRCDROOH-UHFFFAOYSA-N 0 0 411.443 3.443 50 0 HGAARN O=C(CNc1ccc(Br)cc1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000023694390 558568331 /nfs/dbraw/zinc/56/83/31/558568331.db2.gz FZNBOKTULDSJJW-UHFFFAOYSA-N 0 0 420.263 3.371 50 0 HGAARN CCCCN(C(=S)Nc1cccc(C)c1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000013685162 558569069 /nfs/dbraw/zinc/56/90/69/558569069.db2.gz JKIPVURCIGIIHV-UHFFFAOYSA-N 0 0 403.552 3.149 50 0 HGAARN COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 ZINC000023710875 558569916 /nfs/dbraw/zinc/56/99/16/558569916.db2.gz YYGCKNMQSCITNK-UHFFFAOYSA-N 0 0 402.394 3.097 50 0 HGAARN CCCCN1C(=O)C[C@H](C(=O)Nc2nccs2)[C@@H]1c1cccc(OC)c1OC ZINC000013689113 558571439 /nfs/dbraw/zinc/57/14/39/558571439.db2.gz BNVWQQBTEWNRIK-YOEHRIQHSA-N 0 0 403.504 3.489 50 0 HGAARN COc1cc2oc(=O)c(CC(=O)N3CCO[C@@H](c4ccccc4)C3)c(C)c2cc1OC ZINC000013692192 558573758 /nfs/dbraw/zinc/57/37/58/558573758.db2.gz NVYXUFYTLYWZPZ-JOCHJYFZSA-N 0 0 423.465 3.261 50 0 HGAARN COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)N(C)C ZINC000023794663 558575993 /nfs/dbraw/zinc/57/59/93/558575993.db2.gz INWUAVHQKSRWJQ-MRXNPFEDSA-N 0 0 400.862 3.488 50 0 HGAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000023845629 558577665 /nfs/dbraw/zinc/57/76/65/558577665.db2.gz JAADGCNRRNIBEX-UHFFFAOYSA-N 0 0 424.526 3.492 50 0 HGAARN O=C(CSc1ncnc2sccc21)Nc1ccc(CN2CCOCC2)cc1 ZINC000023873160 558579162 /nfs/dbraw/zinc/57/91/62/558579162.db2.gz BTQSPROAGVNFQL-UHFFFAOYSA-N 0 0 400.529 3.254 50 0 HGAARN Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2)n1 ZINC000023881462 558579823 /nfs/dbraw/zinc/57/98/23/558579823.db2.gz DFVWQGPBILGMEY-HXUWFJFHSA-N 0 0 410.543 3.354 50 0 HGAARN C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N1c2ccccc2C[C@@H]1C ZINC000023885250 558580680 /nfs/dbraw/zinc/58/06/80/558580680.db2.gz ZLBPIKKIJUBGQD-HOTGVXAUSA-N 0 0 423.538 3.237 50 0 HGAARN CCc1nc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cs1 ZINC000023903588 558580934 /nfs/dbraw/zinc/58/09/34/558580934.db2.gz OFCURXVYWGGVTK-UHFFFAOYSA-N 0 0 401.557 3.365 50 0 HGAARN O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013719721 558581028 /nfs/dbraw/zinc/58/10/28/558581028.db2.gz CIEAAGCJKYDKPT-UHFFFAOYSA-N 0 0 422.510 3.031 50 0 HGAARN COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 ZINC000013719809 558581228 /nfs/dbraw/zinc/58/12/28/558581228.db2.gz ZNSQOVTTXIBJHZ-FQEVSTJZSA-N 0 0 405.498 3.388 50 0 HGAARN O=C(c1ccc(-c2nnco2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023955713 558582430 /nfs/dbraw/zinc/58/24/30/558582430.db2.gz BAPCRXWJCHFQKK-UHFFFAOYSA-N 0 0 405.483 3.304 50 0 HGAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(C(=O)c3ccco3)CC2)o1 ZINC000023956965 558582565 /nfs/dbraw/zinc/58/25/65/558582565.db2.gz LKTVTGIRBVUGCB-UHFFFAOYSA-N 0 0 419.441 3.251 50 0 HGAARN C[C@@H](CCc1ccco1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000013723515 558583074 /nfs/dbraw/zinc/58/30/74/558583074.db2.gz MEXPQUKGIMCDDZ-INIZCTEOSA-N 0 0 409.486 3.232 50 0 HGAARN Cc1cnc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cn1 ZINC000023988525 558583517 /nfs/dbraw/zinc/58/35/17/558583517.db2.gz QVXKLLUDKACMRY-UHFFFAOYSA-N 0 0 400.435 3.286 50 0 HGAARN CCN(CC)S(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023994975 558583969 /nfs/dbraw/zinc/58/39/69/558583969.db2.gz RHEPVRAYIMNLAJ-UHFFFAOYSA-N 0 0 423.529 3.258 50 0 HGAARN COc1cc(OC)cc([C@@H](NC(=O)c2ccc3c(c2)OCCCO3)c2nccn2C)c1 ZINC000024023127 558584809 /nfs/dbraw/zinc/58/48/09/558584809.db2.gz VJNGVUIJERPLLX-OAQYLSRUSA-N 0 0 423.469 3.118 50 0 HGAARN CC[C@H](C)[C@@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000013727989 558585414 /nfs/dbraw/zinc/58/54/14/558585414.db2.gz DQVCUIMSLAVQPE-ZEYPLWLESA-N 0 0 410.558 3.483 50 0 HGAARN COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(OC)c1Br ZINC000024061222 558587334 /nfs/dbraw/zinc/58/73/34/558587334.db2.gz UPKHFOSQTFQCSF-UHFFFAOYSA-N 0 0 419.319 3.424 50 0 HGAARN COc1ccc2[nH]c(C(=O)NCCCC(=O)Nc3nc(C)cs3)cc2c1OC ZINC000013736433 558588615 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CC(C)n1cc(CCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c2ccccc21 ZINC000604403907 568492299 /nfs/dbraw/zinc/49/22/99/568492299.db2.gz DESSLIHBQHOVNQ-FQEVSTJZSA-N 0 0 418.497 3.022 50 0 biogenic HGAARN O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1cc(Br)cs1 ZINC000390829944 568492882 /nfs/dbraw/zinc/49/28/82/568492882.db2.gz HPXYSTZRDBHZHB-SSDOTTSWSA-N 0 0 409.231 3.157 50 0 HGAARN COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CC2 ZINC000604418714 568493016 /nfs/dbraw/zinc/49/30/16/568493016.db2.gz ORPKBXPYFZZAAB-GOSISDBHSA-N 0 0 420.465 3.388 50 0 HGAARN O=C(c1ccc(Br)o1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000390830638 568495285 /nfs/dbraw/zinc/49/52/85/568495285.db2.gz MIMDEVYOIQZJFR-LBPRGKRZSA-N 0 0 404.307 3.106 50 0 HGAARN CC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cc1 ZINC000022630521 568496825 /nfs/dbraw/zinc/49/68/25/568496825.db2.gz STZVZBMYYAGHPV-UHFFFAOYSA-N 0 0 414.575 3.400 50 0 HGAARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccccc2)cc1Br ZINC000000822140 568498589 /nfs/dbraw/zinc/49/85/89/568498589.db2.gz JUIMKEYTKLWYFF-UHFFFAOYSA-N 0 0 412.261 3.116 50 0 HGAARN CCN(CC)C(=O)[C@@H](Sc1nnc(Cc2ccccc2F)n1N)c1ccccc1 ZINC000008395327 568499380 /nfs/dbraw/zinc/49/93/80/568499380.db2.gz NGHWDNINTCVWHU-IBGZPJMESA-N 0 0 413.522 3.424 50 0 HGAARN O=c1c2ccccc2nc(CS[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1Cl ZINC000012360121 568506138 /nfs/dbraw/zinc/50/61/38/568506138.db2.gz PSLOLAKUHDDNHH-ZDUSSCGKSA-N 0 0 420.943 3.459 50 0 HGAARN COc1cc(Cl)c(NC(=O)CCn2c3ccccc3nc(C)c2=O)c(OC)c1 ZINC000033005216 568510667 /nfs/dbraw/zinc/51/06/67/568510667.db2.gz SRIMZKKKXNKOTD-UHFFFAOYSA-N 0 0 401.850 3.404 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000033124989 568511166 /nfs/dbraw/zinc/51/11/66/568511166.db2.gz NEQMTPFSRKURMY-LBPRGKRZSA-N 0 0 417.824 3.440 50 0 HGAARN CCc1cccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)c1 ZINC000033268465 568512297 /nfs/dbraw/zinc/51/22/97/568512297.db2.gz HDUKYMCRKRXVNV-UHFFFAOYSA-N 0 0 417.462 3.316 50 0 HGAARN CCN(CC)c1nc2ccccc2c(=O)n1CC(=O)NCCc1ccc(Cl)cc1 ZINC000033308577 568514037 /nfs/dbraw/zinc/51/40/37/568514037.db2.gz CRAQXHSNHKRIMZ-UHFFFAOYSA-N 0 0 412.921 3.255 50 0 HGAARN COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000222139700 568514370 /nfs/dbraw/zinc/51/43/70/568514370.db2.gz UHFRZFAVSQLVTL-HTAPYJJXSA-N 0 0 418.559 3.206 50 0 HGAARN O=C(Nc1snnc1C(=O)N1CCCCC1)N1CCCC[C@H]1c1cccnc1 ZINC000033436069 568514632 /nfs/dbraw/zinc/51/46/32/568514632.db2.gz HLSSHLAMVHUCDA-HNNXBMFYSA-N 0 0 400.508 3.318 50 0 HGAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000000840806 568580196 /nfs/dbraw/zinc/58/01/96/568580196.db2.gz GHSMEGJBAJLXFE-UHFFFAOYSA-N 0 0 415.298 3.267 50 0 HGAARN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 ZINC000020112918 568589086 /nfs/dbraw/zinc/58/90/86/568589086.db2.gz MQSZZIBOTGMDJA-OLCZWSHVSA-N 0 0 412.530 3.352 50 0 biogenic HGAARN COc1c2c(cc3c1[C@H](CC(=O)CCc1ccc4c(c1)OCO4)N(C)CC3)OCO2 ZINC000020113172 568589303 /nfs/dbraw/zinc/58/93/03/568589303.db2.gz NFMATBVNUCRACD-KRWDZBQOSA-N 0 0 411.454 3.274 50 0 biogenic HGAARN Cc1cc(OC2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc(C)n1 ZINC000390826949 568591380 /nfs/dbraw/zinc/59/13/80/568591380.db2.gz CYIQQLFULOJGGV-UHFFFAOYSA-N 0 0 401.532 3.204 50 0 HGAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2nc(C3CCCCC3)cs2)c1 ZINC000390828953 568591786 /nfs/dbraw/zinc/59/17/86/568591786.db2.gz CKDFKTYBZPRWLO-UHFFFAOYSA-N 0 0 424.544 3.465 50 0 HGAARN O=C(C=Cc1ccccc1Cl)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000390830818 568592153 /nfs/dbraw/zinc/59/21/53/568592153.db2.gz NQZJZPCXFIJXCW-BQYQJAHWSA-N 0 0 410.861 3.027 50 0 HGAARN COc1ccc(CN2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1OC ZINC000095347362 568600010 /nfs/dbraw/zinc/60/00/10/568600010.db2.gz TUWNTWNPAAKTGJ-DEOSSOPVSA-N 0 0 423.557 3.185 50 0 HGAARN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CO)c2)cc1 ZINC000095349460 568600403 /nfs/dbraw/zinc/60/04/03/568600403.db2.gz VFGGKRWFRXHTAW-INIZCTEOSA-N 0 0 404.532 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Cc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(Cl)c1 ZINC000020510138 568621105 /nfs/dbraw/zinc/62/11/05/568621105.db2.gz TUOPFJHHILZVSH-UHFFFAOYSA-N 0 0 422.890 3.090 50 0 HGAARN O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc(F)ccc1I ZINC000095463226 568621991 /nfs/dbraw/zinc/62/19/91/568621991.db2.gz VNXIADGBBYBSNR-LBPRGKRZSA-N 0 0 419.234 3.236 50 0 HGAARN O=C(CCNC(=O)Nc1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 ZINC000040134465 568622213 /nfs/dbraw/zinc/62/22/13/568622213.db2.gz CFSNCYQHCUXHMH-UHFFFAOYSA-N 0 0 420.263 3.006 50 0 HGAARN Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)nn1-c1ccccc1 ZINC000095465520 568623381 /nfs/dbraw/zinc/62/33/81/568623381.db2.gz PYXJARCGROUECL-SFHVURJKSA-N 0 0 418.497 3.278 50 0 HGAARN O=C(C[C@H]1COCCN1c1ncnc2c1cnn2-c1ccccc1)c1cccs1 ZINC000095467658 568624929 /nfs/dbraw/zinc/62/49/29/568624929.db2.gz CGOJDOYBEXCKCP-INIZCTEOSA-N 0 0 405.483 3.355 50 0 HGAARN Cc1ccc(-n2nnnc2SCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000040152423 568625375 /nfs/dbraw/zinc/62/53/75/568625375.db2.gz PWMOELRZRMEXKM-UHFFFAOYSA-N 0 0 416.470 3.098 50 0 HGAARN O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000095472105 568627362 /nfs/dbraw/zinc/62/73/62/568627362.db2.gz ZJUWZJFCRQSSEA-AZUAARDMSA-N 0 0 411.893 3.101 50 0 HGAARN O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCCc1nc2ccccc2[nH]1 ZINC000095473023 568628331 /nfs/dbraw/zinc/62/83/31/568628331.db2.gz WNLFOCKDBAWGQT-MRXNPFEDSA-N 0 0 423.908 3.126 50 0 HGAARN COc1ccc(N2CCC[C@@H](C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)C2)nn1 ZINC000095474138 568629030 /nfs/dbraw/zinc/62/90/30/568629030.db2.gz NBSNZJQGUVUOAS-FOIQADDNSA-N 0 0 408.506 3.091 50 0 HGAARN COc1cccc(-n2cc(C(=O)NCc3c(C)nn(C)c3C)c3ccccc3c2=O)c1 ZINC000095474009 568629081 /nfs/dbraw/zinc/62/90/81/568629081.db2.gz MEDIEPXWRYXFHX-UHFFFAOYSA-N 0 0 416.481 3.280 50 0 HGAARN COc1cccc2[nH]cc([C@@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc3)c21 ZINC000095475462 568629749 /nfs/dbraw/zinc/62/97/49/568629749.db2.gz FXXRUKHTLRVEPL-SJORKVTESA-N 0 0 412.511 3.002 50 0 HGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)C=C2 ZINC000095478011 568631554 /nfs/dbraw/zinc/63/15/54/568631554.db2.gz CSXQQIPKHDRBEC-UHFFFAOYSA-N 0 0 404.825 3.490 50 0 HGAARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000095478943 568631944 /nfs/dbraw/zinc/63/19/44/568631944.db2.gz OZLRBWYIVGILKH-OALUTQOASA-N 0 0 400.548 3.227 50 0 HGAARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000095478945 568631977 /nfs/dbraw/zinc/63/19/77/568631977.db2.gz OZLRBWYIVGILKH-RBUKOAKNSA-N 0 0 400.548 3.227 50 0 HGAARN CCCC(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000020614541 568637703 /nfs/dbraw/zinc/63/77/03/568637703.db2.gz LSJLEVOYDOGDAA-HXUWFJFHSA-N 0 0 413.493 3.334 50 0 HGAARN C[C@@H]1CCN(c2ncccc2C(=O)Nc2ccc(Br)cc2)CC[S@@]1=O ZINC000225439866 568638034 /nfs/dbraw/zinc/63/80/34/568638034.db2.gz BCYVTFXGVLIVQV-SHZVTRLKSA-N 0 0 422.348 3.444 50 0 HGAARN CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)CC1 ZINC000020671336 568639602 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CSc1ccc(CNC(=O)C2CCN(c3nc4ccccc4n(C)c3=O)CC2)cc1 ZINC000020860614 568646050 /nfs/dbraw/zinc/64/60/50/568646050.db2.gz PFOFFJWUCRILLR-UHFFFAOYSA-N 0 0 422.554 3.188 50 0 HGAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)CC(=O)OC(C)(C)C ZINC000225530413 568647644 /nfs/dbraw/zinc/64/76/44/568647644.db2.gz BCNYLIJKQHVKTN-UVLALUNPSA-N 0 0 406.567 3.144 50 0 HGAARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000020893774 568648387 /nfs/dbraw/zinc/64/83/87/568648387.db2.gz XQDFUXNPXOZRAR-UHFFFAOYSA-N 0 0 423.538 3.389 50 0 HGAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1F ZINC000020895510 568648894 /nfs/dbraw/zinc/64/88/94/568648894.db2.gz MTPKCPCYJUSCAM-LJQANCHMSA-N 0 0 417.462 3.414 50 0 HGAARN Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3F)s2)c1 ZINC000020902175 568650085 /nfs/dbraw/zinc/65/00/85/568650085.db2.gz PLRKWIWBBKFTBY-UHFFFAOYSA-N 0 0 406.464 3.063 50 0 HGAARN COc1ccc(CCC(=O)NC[C@H](C)N(C)C(=O)CCc2ccc(OC)cc2)cc1 ZINC000225558045 568651012 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Cn1cccc1[C@H](CNC(=O)c1ccc2c(c1)OCO2)N1CCc2ccccc2C1 ZINC000021151836 568672538 /nfs/dbraw/zinc/67/25/38/568672538.db2.gz BQICQMWZWGDDQU-NRFANRHFSA-N 0 0 403.482 3.283 50 0 HGAARN Cc1ccc(C)c(NC(=O)CN2CCSc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC000021156435 568673798 /nfs/dbraw/zinc/67/37/98/568673798.db2.gz LSABPKHEVWGIBK-UHFFFAOYSA-N 0 0 419.572 3.105 50 0 HGAARN COc1ccc(OC)c(CCNC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)c1 ZINC000021158631 568674078 /nfs/dbraw/zinc/67/40/78/568674078.db2.gz NRNHXOAPTXCDKZ-UHFFFAOYSA-N 0 0 408.502 3.155 50 0 HGAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)cc1OC ZINC000021176853 568677266 /nfs/dbraw/zinc/67/72/66/568677266.db2.gz JTXRHXRJEKUQCB-HNNXBMFYSA-N 0 0 423.473 3.087 50 0 HGAARN COc1ccc([C@H]2CC(=O)N(C)c3c2c(C)nn3-c2nc(C)cc(C)n2)c(OC)c1 ZINC000021177185 568677362 /nfs/dbraw/zinc/67/73/62/568677362.db2.gz XFLWBXHLOSREDM-QGZVFWFLSA-N 0 0 407.474 3.103 50 0 HGAARN O=S(=O)(c1ccccc1Cn1ccnc1)N(Cc1ccco1)Cc1cccnc1 ZINC000095993336 568678039 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3.285 50 0 HGAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000229726609 568715235 /nfs/dbraw/zinc/71/52/35/568715235.db2.gz QDLKLGGXGSFCNL-YSGRDPCXSA-N 0 0 400.519 3.106 50 0 HGAARN C[C@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096277755 568716179 /nfs/dbraw/zinc/71/61/79/568716179.db2.gz ODZYBYHETXCMPH-NSHDSACASA-N 0 0 401.806 3.375 50 0 HGAARN Cc1cc(C)c(NC(=O)[C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)c(C)c1 ZINC000012414568 568716984 /nfs/dbraw/zinc/71/69/84/568716984.db2.gz BHMWSWGXLMSDNI-MRXNPFEDSA-N 0 0 413.421 3.299 50 0 HGAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O ZINC000012415015 568717464 /nfs/dbraw/zinc/71/74/64/568717464.db2.gz KLXRMTPNPUKYAO-UHFFFAOYSA-N 0 0 422.466 3.033 50 0 HGAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cn3)CC2)cc1 ZINC000096280557 568717897 /nfs/dbraw/zinc/71/78/97/568717897.db2.gz WJGSZJXVHPTOMT-UHFFFAOYSA-N 0 0 422.510 3.366 50 0 HGAARN CCNC(=O)N1CCc2nc(N3CCc4ccccc4C3)nc(N3CCCCC3)c2C1 ZINC000096280956 568718467 /nfs/dbraw/zinc/71/84/67/568718467.db2.gz CNUCBGYAXLYSPX-UHFFFAOYSA-N 0 0 420.561 3.117 50 0 HGAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N1C[C@@H]1CCCO1 ZINC000096292421 568721118 /nfs/dbraw/zinc/72/11/18/568721118.db2.gz VFMCBKMKMDGQLX-AWEZNQCLSA-N 0 0 419.528 3.497 50 0 HGAARN CCOc1nn(CC)cc1-c1nnc(SCc2cc(OC)cc(OC)c2)n1C ZINC000012422696 568721141 /nfs/dbraw/zinc/72/11/41/568721141.db2.gz GEJLMDOJRQSCCG-UHFFFAOYSA-N 0 0 403.508 3.407 50 0 HGAARN Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3cccs3)cc(=O)n2o1 ZINC000021633641 568725156 /nfs/dbraw/zinc/72/51/56/568725156.db2.gz NCRCXWRFPAKYPJ-UHFFFAOYSA-N 0 0 409.423 3.267 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000000869393 568725607 /nfs/dbraw/zinc/72/56/07/568725607.db2.gz PZYNALLPRZEHNW-UHFFFAOYSA-N 0 0 403.287 3.407 50 0 HGAARN Cc1cc(C)c(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)c(C)c1 ZINC000012445099 568726098 /nfs/dbraw/zinc/72/60/98/568726098.db2.gz WVOWRZYAEFWUBB-UHFFFAOYSA-N 0 0 414.465 3.111 50 0 HGAARN 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ZINC000003060846 568852589 /nfs/dbraw/zinc/85/25/89/568852589.db2.gz ZFSDSVVNOCNGRR-VCHYOVAHSA-N 0 0 414.483 3.129 50 0 HGAARN CCN(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000057556890 568853696 /nfs/dbraw/zinc/85/36/96/568853696.db2.gz FTTRWKVEBIFLSL-UHFFFAOYSA-N 0 0 415.317 3.448 50 0 HGAARN Cc1cccc(CN2CCN(C(=O)CSc3nncn3-c3ccccc3)CC2)c1 ZINC000012557876 568856501 /nfs/dbraw/zinc/85/65/01/568856501.db2.gz GZAHZGGCEZBASD-UHFFFAOYSA-N 0 0 407.543 3.012 50 0 HGAARN CN(C)C(=O)c1ccc(NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000057688574 568858430 /nfs/dbraw/zinc/85/84/30/568858430.db2.gz WMSIRXDNRLOPOH-FQEVSTJZSA-N 0 0 423.513 3.325 50 0 HGAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000003420438 568858861 /nfs/dbraw/zinc/85/88/61/568858861.db2.gz WEOOJFVYVDSMIQ-UHFFFAOYSA-N 0 0 407.470 3.391 50 0 HGAARN O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012567890 568860511 /nfs/dbraw/zinc/86/05/11/568860511.db2.gz ARXBJKFMDMVUSN-FQEVSTJZSA-N 0 0 411.933 3.033 50 0 HGAARN CCCn1c(C)cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1C ZINC000012567935 568860703 /nfs/dbraw/zinc/86/07/03/568860703.db2.gz KIUICRZZWAAMFB-HXUWFJFHSA-N 0 0 406.486 3.342 50 0 HGAARN CCCCN(C(=O)NC(=O)Nc1ncc(C(F)(F)F)cc1Cl)S(C)(=O)=O ZINC000003191145 568860781 /nfs/dbraw/zinc/86/07/81/568860781.db2.gz ANCDNJNXCZGTJF-UHFFFAOYSA-N 0 0 416.809 3.057 50 0 HGAARN CC(C)CNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C ZINC000003527868 568861760 /nfs/dbraw/zinc/86/17/60/568861760.db2.gz LRCVSKLZOJPDRF-UHFFFAOYSA-N 0 0 410.927 3.205 50 0 HGAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1 ZINC000003549685 568861918 /nfs/dbraw/zinc/86/19/18/568861918.db2.gz YVDITSWJYALMIE-UHFFFAOYSA-N 0 0 403.485 3.229 50 0 HGAARN COc1ccc(NC(=O)CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000003541481 568861962 /nfs/dbraw/zinc/86/19/62/568861962.db2.gz KWBIZXHTVHETDU-UHFFFAOYSA-N 0 0 417.509 3.471 50 0 HGAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(N)s1)CCCC2 ZINC000003575722 568862782 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50 0 HGAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)no1 ZINC000012581323 568864826 /nfs/dbraw/zinc/86/48/26/568864826.db2.gz UHLKEQXFTRPQGH-CJNGLKHVSA-N 0 0 413.503 3.283 50 0 HGAARN CCOC(=O)Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000003641996 568865545 /nfs/dbraw/zinc/86/55/45/568865545.db2.gz CCMWRDMZSSOJEI-PDGQHHTCSA-N 0 0 405.479 3.467 50 0 HGAARN O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000003236856 568865726 /nfs/dbraw/zinc/86/57/26/568865726.db2.gz LMLBFDARBWFWRH-UHFFFAOYSA-N 0 0 418.449 3.177 50 0 HGAARN CC(C)CCC[C@H](C)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000019163848 568867305 /nfs/dbraw/zinc/86/73/05/568867305.db2.gz URFXPLFVPCQGEZ-INIZCTEOSA-N 0 0 405.564 3.179 50 0 HGAARN CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(I)cc1 ZINC000003253694 568868157 /nfs/dbraw/zinc/86/81/57/568868157.db2.gz YZPOLXFWLCGZNT-UHFFFAOYSA-N 0 0 409.223 3.107 50 0 HGAARN Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccco3)nc3ccccc3c2=O)nc1 ZINC000012593276 568868480 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CCCCO[C@H](C)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 ZINC000057991490 568873086 /nfs/dbraw/zinc/87/30/86/568873086.db2.gz DOTPYRDFVUXOND-OAHLLOKOSA-N 0 0 400.541 3.260 50 0 HGAARN COc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000003297578 568875519 /nfs/dbraw/zinc/87/55/19/568875519.db2.gz HEFRUSVOTSBPHR-GOSISDBHSA-N 0 0 420.531 3.344 50 0 HGAARN COC(=O)C[C@@H](NC(=O)c1cn2ccc(C)cc2n1)c1cccc(Br)c1 ZINC000058014405 568876201 /nfs/dbraw/zinc/87/62/01/568876201.db2.gz PYENIPQNRRFLEL-OAHLLOKOSA-N 0 0 416.275 3.439 50 0 HGAARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003300727 568876411 /nfs/dbraw/zinc/87/64/11/568876411.db2.gz QTDGAHPZXKAYGC-UHFFFAOYSA-N 0 0 420.469 3.320 50 0 HGAARN O=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccccc1Br ZINC000058021530 568878066 /nfs/dbraw/zinc/87/80/66/568878066.db2.gz ISCJRBRHBUKVPC-UHFFFAOYSA-N 0 0 403.324 3.393 50 0 HGAARN COc1ccc(Cl)cc1C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O ZINC000004032783 568879005 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N=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2Br)N1)OCCCO4 ZINC000012630191 568883083 /nfs/dbraw/zinc/88/30/83/568883083.db2.gz UYYNFVPCLAVIQY-INIZCTEOSA-N 0 0 414.263 3.056 50 0 HGAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn2cccc2)c2ccccc21 ZINC000263587639 568883280 /nfs/dbraw/zinc/88/32/80/568883280.db2.gz JLVYQMDHHWVUKS-IBGZPJMESA-N 0 0 410.518 3.232 50 0 HGAARN COCCn1ccc2c1cccc2OCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000263587839 568883394 /nfs/dbraw/zinc/88/33/94/568883394.db2.gz LWJKNBXFJHEKKL-UHFFFAOYSA-N 0 0 407.514 3.011 50 0 HGAARN COc1ccc(-c2cc(CNC(=O)/C=C\c3ccc4c(c3)OCO4)no2)cc1OC ZINC000012638767 568883930 /nfs/dbraw/zinc/88/39/30/568883930.db2.gz ODYGTOFTJYBNHK-YWEYNIOJSA-N 0 0 408.410 3.417 50 0 HGAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000058085810 568884047 /nfs/dbraw/zinc/88/40/47/568884047.db2.gz DOPYBUKPRYMXNB-IRLDBZIGSA-N 0 0 417.550 3.237 50 0 HGAARN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1=O ZINC000003343684 568884148 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COc1ccc(OC)c(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000003359559 568887421 /nfs/dbraw/zinc/88/74/21/568887421.db2.gz JHFCSMXDINJLBY-UHFFFAOYSA-N 0 0 407.352 3.015 50 0 HGAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Br)cc1F)C2=O ZINC000003362644 568888339 /nfs/dbraw/zinc/88/83/39/568888339.db2.gz VBUDATGNGGTZKW-UHFFFAOYSA-N 0 0 412.259 3.027 50 0 HGAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc2ccccc2oc1=O ZINC000003363379 568888525 /nfs/dbraw/zinc/88/85/25/568888525.db2.gz FOSSAXAGDKAMFR-UHFFFAOYSA-N 0 0 424.434 3.117 50 0 HGAARN CC(=O)c1cccc(NC(=O)COC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)c1 ZINC000003364249 568888697 /nfs/dbraw/zinc/88/86/97/568888697.db2.gz VXLWHWZTLOHBRJ-NRFANRHFSA-N 0 0 410.470 3.134 50 0 HGAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccccc1 ZINC000003373051 568890898 /nfs/dbraw/zinc/89/08/98/568890898.db2.gz QGTPZLPYTIWFNM-AWEZNQCLSA-N 0 0 418.405 3.260 50 0 HGAARN CN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C1CCCCC1 ZINC000003373349 568891082 /nfs/dbraw/zinc/89/10/82/568891082.db2.gz AXDDIMCBQHZMSN-UHFFFAOYSA-N 0 0 424.453 3.024 50 0 HGAARN CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000058148790 568892211 /nfs/dbraw/zinc/89/22/11/568892211.db2.gz LBGFNEYBZICZEX-UHFFFAOYSA-N 0 0 420.513 3.334 50 0 HGAARN O=C(COC(=O)c1ccccc1I)Nc1cc(F)ccc1F ZINC000003391208 568894450 /nfs/dbraw/zinc/89/44/50/568894450.db2.gz OWMCOCXKRBDEQN-UHFFFAOYSA-N 0 0 417.149 3.365 50 0 HGAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)NC3CCCC3)cc2)cc1 ZINC000003393733 568895077 /nfs/dbraw/zinc/89/50/77/568895077.db2.gz LCPMEDQEQZHOLT-UHFFFAOYSA-N 0 0 416.499 3.011 50 0 HGAARN COc1ccc([C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)N2CCCCC2)cc1 ZINC000003402566 568896712 /nfs/dbraw/zinc/89/67/12/568896712.db2.gz PKUGVCOXMRCFBF-OAQYLSRUSA-N 0 0 416.543 3.056 50 0 HGAARN COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2)cc1 ZINC000003406470 568897240 /nfs/dbraw/zinc/89/72/40/568897240.db2.gz BMOXXJBKSWPTCK-QFIPXVFZSA-N 0 0 422.506 3.450 50 0 HGAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O ZINC000003407983 568897370 /nfs/dbraw/zinc/89/73/70/568897370.db2.gz NDBFOMOIJSKSJM-VOIUYBSRSA-N 0 0 419.481 3.357 50 0 HGAARN CN(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 ZINC000003417347 568899293 /nfs/dbraw/zinc/89/92/93/568899293.db2.gz IWNJTXQTRJDTOB-QZTJIDSGSA-N 0 0 411.527 3.101 50 0 HGAARN CCOC(=O)c1sc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc32)nc1C ZINC000003432025 568902023 /nfs/dbraw/zinc/90/20/23/568902023.db2.gz NDDOLRJAAWUBLV-UHFFFAOYSA-N 0 0 400.460 3.171 50 0 HGAARN O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(Cl)ccc1Cl ZINC000003448026 568904929 /nfs/dbraw/zinc/90/49/29/568904929.db2.gz SGGNHANXOCZPAB-UHFFFAOYSA-N 0 0 420.252 3.344 50 0 HGAARN O=C(CCC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003449268 568905045 /nfs/dbraw/zinc/90/50/45/568905045.db2.gz QERKAPZCPGKIRU-UHFFFAOYSA-N 0 0 412.467 3.360 50 0 HGAARN CCc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 ZINC000003448956 568905187 /nfs/dbraw/zinc/90/51/87/568905187.db2.gz GCMYZOQYSBPOJG-UHFFFAOYSA-N 0 0 401.532 3.352 50 0 HGAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1ccc(Cl)cc1F ZINC000003455234 568906237 /nfs/dbraw/zinc/90/62/37/568906237.db2.gz BBXHGEFBOLBPKP-UHFFFAOYSA-N 0 0 421.881 3.302 50 0 HGAARN Cc1cc(Br)ccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000003460035 568906842 /nfs/dbraw/zinc/90/68/42/568906842.db2.gz QZHGYCGBKZNEHM-LJQANCHMSA-N 0 0 416.275 3.163 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003462141 568906997 /nfs/dbraw/zinc/90/69/97/568906997.db2.gz YYKINQKRNVHOIY-UHFFFAOYSA-N 0 0 410.879 3.352 50 0 HGAARN O=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)NCc1ccco1 ZINC000003469227 568907451 /nfs/dbraw/zinc/90/74/51/568907451.db2.gz IXPUGIDBBPYQPN-UHFFFAOYSA-N 0 0 407.452 3.132 50 0 HGAARN COc1ccc(CNC(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)cc1OC ZINC000003482145 568908438 /nfs/dbraw/zinc/90/84/38/568908438.db2.gz QENIPEFVVLRZLB-UHFFFAOYSA-N 0 0 420.465 3.214 50 0 HGAARN COc1ccc(CNC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000003489257 568909201 /nfs/dbraw/zinc/90/92/01/568909201.db2.gz BTPJICMOVZCABW-UHFFFAOYSA-N 0 0 403.434 3.399 50 0 HGAARN CC(C)(C)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000003499320 568909963 /nfs/dbraw/zinc/90/99/63/568909963.db2.gz FPJOTPVLVKYQFR-UHFFFAOYSA-N 0 0 414.845 3.212 50 0 HGAARN O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1cccc(Br)c1 ZINC000263615310 568910347 /nfs/dbraw/zinc/91/03/47/568910347.db2.gz BSCPLAJJKUECKY-UHFFFAOYSA-N 0 0 410.271 3.466 50 0 HGAARN O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000001280993 568910645 /nfs/dbraw/zinc/91/06/45/568910645.db2.gz AINSWULKPYMMND-HNNXBMFYSA-N 0 0 418.323 3.499 50 0 HGAARN COc1ccc([C@H](O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1OC ZINC000263615964 568910658 /nfs/dbraw/zinc/91/06/58/568910658.db2.gz GGJXOCPDKQGGIE-LJQANCHMSA-N 0 0 409.417 3.053 50 0 HGAARN O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1Cc1cccc(Cl)c1 ZINC000263617329 568911303 /nfs/dbraw/zinc/91/13/03/568911303.db2.gz NFHJARQJEKSDTR-UHFFFAOYSA-N 0 0 406.833 3.305 50 0 HGAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)N1CCCC1=O ZINC000003517488 568911732 /nfs/dbraw/zinc/91/17/32/568911732.db2.gz LNIPCPPGUAZTJP-UHFFFAOYSA-N 0 0 410.474 3.374 50 0 HGAARN O=C(c1nnn2c1CO[C@@H](c1ccc(Br)cc1)C2)N1CCCCCC1 ZINC000263618926 568912188 /nfs/dbraw/zinc/91/21/88/568912188.db2.gz WEPSNHVIJFSAJM-MRXNPFEDSA-N 0 0 405.296 3.328 50 0 HGAARN Cc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc5c(c4)OCO5)ccn3n2)c(C)c1 ZINC000263618172 568912484 /nfs/dbraw/zinc/91/24/84/568912484.db2.gz RQAPTFHEUHWIDM-HXUWFJFHSA-N 0 0 403.438 3.242 50 0 HGAARN COc1ccccc1[C@@H]1NC(=O)N(Cc2nc(C3CCCCC3)no2)C2=C1C(=O)OC2 ZINC000263618202 568912516 /nfs/dbraw/zinc/91/25/16/568912516.db2.gz RTDNMRKWPRVVPS-IBGZPJMESA-N 0 0 424.457 3.203 50 0 HGAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1 ZINC000263619511 568912690 /nfs/dbraw/zinc/91/26/90/568912690.db2.gz ZAIJMPMXLOCFHF-GOSISDBHSA-N 0 0 419.529 3.150 50 0 HGAARN COc1ccc(OC)c(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)c1 ZINC000001320999 568914403 /nfs/dbraw/zinc/91/44/03/568914403.db2.gz IDNIUICTRXTGKK-UHFFFAOYSA-N 0 0 422.466 3.176 50 0 HGAARN CN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1ccccc1Br ZINC000012690933 568914874 /nfs/dbraw/zinc/91/48/74/568914874.db2.gz USNMKGNYQNHDME-UHFFFAOYSA-N 0 0 424.726 3.289 50 0 HGAARN COc1ccc(OC)c(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)c1 ZINC000003559280 568915612 /nfs/dbraw/zinc/91/56/12/568915612.db2.gz XSRJYOACVACPBQ-UHFFFAOYSA-N 0 0 422.466 3.176 50 0 HGAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 ZINC000031141530 568915634 /nfs/dbraw/zinc/91/56/34/568915634.db2.gz PBQDQIOPPYLKQY-OAQYLSRUSA-N 0 0 422.460 3.341 50 0 HGAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCOCC2)cc1 ZINC000004143331 568915943 /nfs/dbraw/zinc/91/59/43/568915943.db2.gz XOXUCFSGRMLWSA-UHFFFAOYSA-N 0 0 402.447 3.459 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003564341 568916099 /nfs/dbraw/zinc/91/60/99/568916099.db2.gz SAYAAGLVDQOLRI-UHFFFAOYSA-N 0 0 420.915 3.310 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000003564384 568916254 /nfs/dbraw/zinc/91/62/54/568916254.db2.gz KVYWMHDYRSASEE-UHFFFAOYSA-N 0 0 408.545 3.007 50 0 HGAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003575866 568916607 /nfs/dbraw/zinc/91/66/07/568916607.db2.gz SLTQNMWNOPSOGM-UHFFFAOYSA-N 0 0 417.483 3.039 50 0 HGAARN COc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1OC ZINC000003587707 568917760 /nfs/dbraw/zinc/91/77/60/568917760.db2.gz QKHZJZFIGWXMGY-UHFFFAOYSA-N 0 0 409.486 3.420 50 0 HGAARN CC[C@H](NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000031181606 568917985 /nfs/dbraw/zinc/91/79/85/568917985.db2.gz CNDPHVWMWOLXAZ-MJGOQNOKSA-N 0 0 424.950 3.190 50 0 HGAARN CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(OC)cc2)c1=O ZINC000045896427 568918175 /nfs/dbraw/zinc/91/81/75/568918175.db2.gz FFJPZTRGZPKZFP-UHFFFAOYSA-N 0 0 420.469 3.215 50 0 HGAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)cc1Cl ZINC000003594921 568918365 /nfs/dbraw/zinc/91/83/65/568918365.db2.gz GOEFJVYWKZPKJO-LJQANCHMSA-N 0 0 404.253 3.325 50 0 HGAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(Br)cc1F)C2=O ZINC000003595851 568918445 /nfs/dbraw/zinc/91/84/45/568918445.db2.gz KWIWVVMCCXLFGP-BMLIUANNSA-N 0 0 412.259 3.027 50 0 HGAARN Cc1ccc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 ZINC000004165892 568918927 /nfs/dbraw/zinc/91/89/27/568918927.db2.gz XDXADWNIIDTEER-UHFFFAOYSA-N 0 0 407.861 3.491 50 0 HGAARN Cc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1F ZINC000004166501 568919215 /nfs/dbraw/zinc/91/92/15/568919215.db2.gz LHTRWKYWZXUFEE-UHFFFAOYSA-N 0 0 408.462 3.448 50 0 HGAARN CC(C)(C(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1)c1ccccc1 ZINC000031244694 568920482 /nfs/dbraw/zinc/92/04/82/568920482.db2.gz KNAHMXIDNHGRSW-UHFFFAOYSA-N 0 0 416.319 3.106 50 0 HGAARN C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001391964 568924519 /nfs/dbraw/zinc/92/45/19/568924519.db2.gz RGKMNDJXEGGASY-MRXNPFEDSA-N 0 0 405.369 3.008 50 0 HGAARN Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012738922 568926431 /nfs/dbraw/zinc/92/64/31/568926431.db2.gz QCMZXLKEPSEISI-UHFFFAOYSA-N 0 0 400.504 3.020 50 0 HGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CC[C@@H](C)C4)CC2)cc1 ZINC000012738782 568926464 /nfs/dbraw/zinc/92/64/64/568926464.db2.gz IJPBIPUPZJKCFI-MRXNPFEDSA-N 0 0 418.584 3.328 50 0 HGAARN CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1 ZINC000223233477 568927220 /nfs/dbraw/zinc/92/72/20/568927220.db2.gz SUVDRILTPLJPOO-UHFFFAOYSA-N 0 0 400.500 3.177 50 0 HGAARN Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000031547180 568927796 /nfs/dbraw/zinc/92/77/96/568927796.db2.gz MOTOJGSOGNNTPC-UHFFFAOYSA-N 0 0 422.304 3.067 50 0 HGAARN O=C(NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000001406184 568928221 /nfs/dbraw/zinc/92/82/21/568928221.db2.gz JHPQMGJBEQIWDH-UHFFFAOYSA-N 0 0 412.433 3.289 50 0 HGAARN O=C(Nc1nncs1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000012741093 568929192 /nfs/dbraw/zinc/92/91/92/568929192.db2.gz BYKYNQXXUFEDCR-UHFFFAOYSA-N 0 0 412.855 3.384 50 0 HGAARN Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000001858007 568930881 /nfs/dbraw/zinc/93/08/81/568930881.db2.gz DFTKKGQSRDRJMY-UHFFFAOYSA-N 0 0 410.253 3.223 50 0 HGAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000012745450 568931255 /nfs/dbraw/zinc/93/12/55/568931255.db2.gz VCMIGJCZJVKNRF-JTQLQIEISA-N 0 0 422.304 3.173 50 0 HGAARN COc1cc(CN2C(=O)N(C(C)C)[C@@H](N(O)C(=O)NC(C)C)C2(C)C)cc(OC)c1 ZINC000003985294 568931269 /nfs/dbraw/zinc/93/12/69/568931269.db2.gz OWIQHGURPOGCAH-SFHVURJKSA-N 0 0 422.526 3.264 50 0 biogenic HGAARN CCN(Cc1ccc(Cl)s1)C(=O)CCc1c(C)nc2c(C(N)=O)ncn2c1C ZINC000012746175 568931435 /nfs/dbraw/zinc/93/14/35/568931435.db2.gz BMYDWUHIQWIBIM-UHFFFAOYSA-N 0 0 419.938 3.141 50 0 HGAARN CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000002800244 568932389 /nfs/dbraw/zinc/93/23/89/568932389.db2.gz QPAWDRDZTYXMLA-UHFFFAOYSA-N 0 0 412.412 3.374 50 0 HGAARN Cc1nc(N2CCCC2)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000084028795 568933285 /nfs/dbraw/zinc/93/32/85/568933285.db2.gz KMOXWXNVIDGNPP-UHFFFAOYSA-N 0 0 422.938 3.146 50 0 HGAARN C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1CCN(C)CC1 ZINC000084037366 568933298 /nfs/dbraw/zinc/93/32/98/568933298.db2.gz WBZIJVNIWMSGIN-INIZCTEOSA-N 0 0 403.473 3.453 50 0 HGAARN C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(F)cc1 ZINC000012748794 568935046 /nfs/dbraw/zinc/93/50/46/568935046.db2.gz VLSLJXKCSXGJIE-FKIZINRSSA-N 0 0 400.431 3.325 50 0 HGAARN COCCOCCN(Cc1ccccc1)c1cc(C)nc2nc(C(F)(F)F)nn21 ZINC000084109866 568938149 /nfs/dbraw/zinc/93/81/49/568938149.db2.gz YMBNBLUQVLZDEZ-UHFFFAOYSA-N 0 0 409.412 3.121 50 0 HGAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)no1 ZINC000084119763 568939011 /nfs/dbraw/zinc/93/90/11/568939011.db2.gz VQDANHOWVDNWEJ-CABCVRRESA-N 0 0 423.560 3.313 50 0 HGAARN 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COC(=O)c1ccccc1NC(=O)N1CCN(Cc2nc3ccc(C)cc3o2)CC1 ZINC000035534326 569044512 /nfs/dbraw/zinc/04/45/12/569044512.db2.gz AHCGBZVKXXHSLQ-UHFFFAOYSA-N 0 0 408.458 3.273 50 0 HGAARN COc1ccc(CC(=O)NCc2nc3cccnc3n2Cc2ccccc2)cc1OC ZINC000035556532 569044713 /nfs/dbraw/zinc/04/47/13/569044713.db2.gz QBDOKVNXKWAGIQ-UHFFFAOYSA-N 0 0 416.481 3.356 50 0 HGAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)N1CCCC1 ZINC000035559178 569044926 /nfs/dbraw/zinc/04/49/26/569044926.db2.gz SJEDKKJYBWTMIK-HXUWFJFHSA-N 0 0 402.491 3.126 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3ccc(C)cc3)n2C)c1 ZINC000035560994 569044975 /nfs/dbraw/zinc/04/49/75/569044975.db2.gz LEIHPLVKPNBZRB-UHFFFAOYSA-N 0 0 413.543 3.447 50 0 HGAARN Cc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc(=O)oc2c1C ZINC000006384630 569046241 /nfs/dbraw/zinc/04/62/41/569046241.db2.gz IFFYAWJPENOQFA-UHFFFAOYSA-N 0 0 415.467 3.017 50 0 HGAARN Cc1nn(CCCNC(=S)Nc2ccc3c(c2)OCCO3)cc1Br ZINC000006399496 569046678 /nfs/dbraw/zinc/04/66/78/569046678.db2.gz 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569049155 /nfs/dbraw/zinc/04/91/55/569049155.db2.gz SZYGNVIWMLFTLJ-UHFFFAOYSA-N 0 0 417.350 3.273 50 0 HGAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000013000638 569049413 /nfs/dbraw/zinc/04/94/13/569049413.db2.gz PBMFZAACQOLNLL-AHERIEHWSA-N 0 0 421.541 3.101 50 0 HGAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013004333 569049714 /nfs/dbraw/zinc/04/97/14/569049714.db2.gz HPHDGTHQDDPGQC-HNNXBMFYSA-N 0 0 415.487 3.231 50 0 HGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2CC)cc1 ZINC000100821212 569050268 /nfs/dbraw/zinc/05/02/68/569050268.db2.gz XNUCLGDLHHQZSD-MRCUWXFGSA-N 0 0 417.556 3.494 50 0 HGAARN Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)c1 ZINC000006436435 569050713 /nfs/dbraw/zinc/05/07/13/569050713.db2.gz FORQMMJOYJCEPA-AWEZNQCLSA-N 0 0 407.463 3.121 50 0 HGAARN COCCn1ccc2c1cccc2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2OC)C1 ZINC000253412653 569051412 /nfs/dbraw/zinc/05/14/12/569051412.db2.gz RQILXXKBEOBMNH-GOSISDBHSA-N 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COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)Cc4cccc(OC)c4)C3)n[nH]2)cc1 ZINC000169753929 569160857 /nfs/dbraw/zinc/16/08/57/569160857.db2.gz NFNRVGHJLMAEEL-LJQANCHMSA-N 0 0 420.513 3.422 50 0 HGAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4cccc(N(C)C)c4)C3)n[nH]2)cc1 ZINC000169753995 569160906 /nfs/dbraw/zinc/16/09/06/569160906.db2.gz JXROQPXFQLYHLN-GOSISDBHSA-N 0 0 405.502 3.160 50 0 HGAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)n2)cc1OC ZINC000169754651 569161088 /nfs/dbraw/zinc/16/10/88/569161088.db2.gz OIAXUMFGZKIXJT-HNNXBMFYSA-N 0 0 423.425 3.460 50 0 HGAARN O=C(c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2)N1CCN(c2ccccn2)CC1 ZINC000169759593 569161307 /nfs/dbraw/zinc/16/13/07/569161307.db2.gz SMUKFOJWOYAHMS-FQEVSTJZSA-N 0 0 423.904 3.165 50 0 HGAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4ccc(N(C)C)cc4)C3)n[nH]2)cc1 ZINC000169759553 569161314 /nfs/dbraw/zinc/16/13/14/569161314.db2.gz MNYCRWDUGLARQY-GOSISDBHSA-N 0 0 405.502 3.160 50 0 HGAARN C[C@@H]1CCc2nn3ccn(CC(=O)Nc4ccc(C(F)(F)F)cc4)c(=O)c3c2C1 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COc1ccc(C(=O)N2CCN(c3ncccc3-c3nnc(C4CC4)o3)CC2)c(C)c1 ZINC000065118155 569182054 /nfs/dbraw/zinc/18/20/54/569182054.db2.gz UFDQUAOZFPMPTL-UHFFFAOYSA-N 0 0 419.485 3.288 50 0 HGAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n32)cc1 ZINC000006915681 569182179 /nfs/dbraw/zinc/18/21/79/569182179.db2.gz MYMMITLJHRNWRZ-UHFFFAOYSA-N 0 0 405.483 3.432 50 0 HGAARN CC(C)c1noc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3)c2)n1 ZINC000065134622 569182643 /nfs/dbraw/zinc/18/26/43/569182643.db2.gz KMSWTPVQDYUVAR-UHFFFAOYSA-N 0 0 417.263 3.423 50 0 HGAARN COC(=O)c1cccc(NC(=O)CSc2cc(N3C[C@H](C)C[C@H](C)C3)ncn2)c1 ZINC000065133273 569182891 /nfs/dbraw/zinc/18/28/91/569182891.db2.gz ULPJJJUTNXSYOE-GASCZTMLSA-N 0 0 414.531 3.476 50 0 HGAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)N1CCC2(CC1)OCCO2 ZINC000065136798 569183531 /nfs/dbraw/zinc/18/35/31/569183531.db2.gz WSTAYTALZNPUHL-SFHVURJKSA-N 0 0 401.507 3.076 50 0 biogenic HGAARN Cc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000006928167 569183854 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420.296 3.374 50 0 HGAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)C[C@@H]2CCS(=O)(=O)C2)c2ccccc2)c1 ZINC000007630037 569297733 /nfs/dbraw/zinc/29/77/33/569297733.db2.gz QDVDPTFHZYBTRD-LAUBAEHRSA-N 0 0 415.511 3.351 50 0 HGAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000007654776 569299130 /nfs/dbraw/zinc/29/91/30/569299130.db2.gz FPSNVSOERATVCA-SFHVURJKSA-N 0 0 401.462 3.444 50 0 HGAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000007654773 569299166 /nfs/dbraw/zinc/29/91/66/569299166.db2.gz FPSNVSOERATVCA-GOSISDBHSA-N 0 0 401.462 3.444 50 0 HGAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC[C@H](C)C4)C3)ccc21 ZINC000037434106 569299249 /nfs/dbraw/zinc/29/92/49/569299249.db2.gz MCWROQGCTSFYFI-HKUYNNGSSA-N 0 0 417.575 3.320 50 0 HGAARN CC(C)c1cccc(C(C)C)c1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000007668723 569299863 /nfs/dbraw/zinc/29/98/63/569299863.db2.gz NLUDJTLTGHRLJN-HNNXBMFYSA-N 0 0 419.547 3.037 50 0 HGAARN 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CCOC(=O)N1CCC(NC(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 ZINC000032522836 520927698 /nfs/dbraw/zinc/92/76/98/520927698.db2.gz KBZBWYKSNQZPQT-UHFFFAOYSA-N 0 0 416.547 3.318 50 0 HGAARN CCN(CC)c1nc2ncn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)c2s1 ZINC000045970326 520930903 /nfs/dbraw/zinc/93/09/03/520930903.db2.gz YPTCOHMLJGSKHV-UHFFFAOYSA-N 0 0 409.874 3.130 50 0 HGAARN CCCC[C@@H](CC)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000032825708 521036070 /nfs/dbraw/zinc/03/60/70/521036070.db2.gz QTIRWUBCXKQFKU-LLVKDONJSA-N 0 0 419.341 3.275 50 0 HGAARN CCOc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000020132720 521036773 /nfs/dbraw/zinc/03/67/73/521036773.db2.gz BWPBIWHRPLXACH-OALUTQOASA-N 0 0 420.918 3.347 50 0 HGAARN CCOc1ccc(NCC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1 ZINC000040162263 521125456 /nfs/dbraw/zinc/12/54/56/521125456.db2.gz CXEKODGSYPXWRZ-UHFFFAOYSA-N 0 0 419.547 3.475 50 0 HGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 ZINC000040355875 521295363 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CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000032907591 521662553 /nfs/dbraw/zinc/66/25/53/521662553.db2.gz JAJUFFAQHDDJBC-UHFFFAOYSA-N 0 0 400.544 3.016 50 0 HGAARN CCN1CCN(C(=O)c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000040355559 521671150 /nfs/dbraw/zinc/67/11/50/521671150.db2.gz DBAUDGXXVQUSCV-UHFFFAOYSA-N 0 0 412.437 3.192 50 0 HGAARN CCN1CCN(c2c3cc(OC)ccc3ncc2S(=O)(=O)c2ccccc2)CC1 ZINC000020381917 521696821 /nfs/dbraw/zinc/69/68/21/521696821.db2.gz ULIFBKPSGDOCSR-UHFFFAOYSA-N 0 0 411.527 3.218 50 0 HGAARN CCN1C[C@@H](CN(C)Cc2nc(N)nc(Nc3ccccc3C)n2)Oc2ccccc21 ZINC000032797334 521727441 /nfs/dbraw/zinc/72/74/41/521727441.db2.gz CIZRRSKNIIOEKP-QGZVFWFLSA-N 0 0 419.533 3.225 50 0 HGAARN COC(=O)c1cc(CN(C)C(=O)c2cc3c([nH]2)c(OC)c(OC)cc3OC)oc1C ZINC000032828268 521831743 /nfs/dbraw/zinc/83/17/43/521831743.db2.gz BFBUCUQNUJTRSX-UHFFFAOYSA-N 0 0 416.430 3.154 50 0 HGAARN CN(C)S(=O)(=O)c1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)o1 ZINC000032933464 521983061 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COc1ccc(Br)cc1CN(C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000012987426 523494614 /nfs/dbraw/zinc/49/46/14/523494614.db2.gz RFFHMOAPADUQHH-HNNXBMFYSA-N 0 0 421.291 3.439 50 0 HGAARN COc1ccc(Br)cc1CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000019832019 523496212 /nfs/dbraw/zinc/49/62/12/523496212.db2.gz RHSQCIZCVWKRHS-UHFFFAOYSA-N 0 0 403.320 3.345 50 0 HGAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000032895235 523563696 /nfs/dbraw/zinc/56/36/96/523563696.db2.gz MOZUAFTTZFGQAG-UHFFFAOYSA-N 0 0 411.412 3.259 50 0 HGAARN COC(=O)[C@@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)C ZINC000020567719 523611848 /nfs/dbraw/zinc/61/18/48/523611848.db2.gz ODDKGUJGESCGJL-NRFANRHFSA-N 0 0 409.530 3.301 50 0 HGAARN CN(Cc1nnc2n1CCCCC2)C(=O)CCCc1nc(-c2cccs2)no1 ZINC000042955427 523612565 /nfs/dbraw/zinc/61/25/65/523612565.db2.gz JFRSXFPQVVYLPH-UHFFFAOYSA-N 0 0 400.508 3.097 50 0 HGAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1=O ZINC000032502480 523630674 /nfs/dbraw/zinc/63/06/74/523630674.db2.gz 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CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3ccsc32)CC1 ZINC000095949009 568665690 /nfs/dbraw/zinc/66/56/90/568665690.db2.gz FSPKYEWLKZWTAJ-UHFFFAOYSA-N 0 0 408.471 3.008 50 0 HGAARN Cc1nc(C)c(CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(C)n1 ZINC000225699855 568665665 /nfs/dbraw/zinc/66/56/65/568665665.db2.gz AJOVRJOKRYZJFF-LJQANCHMSA-N 0 0 423.344 3.398 50 0 HGAARN O=C(Cc1sc(N2CCOCC2)nc1O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000021133186 568670366 /nfs/dbraw/zinc/67/03/66/568670366.db2.gz KGIHXZQYNFNHMM-GFCCVEGCSA-N 0 0 422.721 3.306 50 0 HGAARN Cc1ccc(C2=NNC(=O)[C@H]3CCCC[C@@H]23)cc1S(=O)(=O)N1CCCCCC1 ZINC000021151967 568672565 /nfs/dbraw/zinc/67/25/65/568672565.db2.gz DDJDEKJVWZWHHB-MSOLQXFVSA-N 0 0 403.548 3.200 50 0 HGAARN Cn1cccc1[C@H](CNC(=O)COc1ccccc1F)N1CCc2ccccc2C1 ZINC000021151923 568672605 /nfs/dbraw/zinc/67/26/05/568672605.db2.gz JCNBEBCBIDWHLM-QFIPXVFZSA-N 0 0 407.489 3.459 50 0 HGAARN Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000021153478 568672905 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O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000095993088 568678079 /nfs/dbraw/zinc/67/80/79/568678079.db2.gz VGOTYXULMGCQAY-KRWDZBQOSA-N 0 0 405.458 3.290 50 0 HGAARN CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000021188684 568679402 /nfs/dbraw/zinc/67/94/02/568679402.db2.gz FQWMVHJNYAJBBA-UHFFFAOYSA-N 0 0 418.334 3.493 50 0 HGAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 ZINC000095998653 568679999 /nfs/dbraw/zinc/67/99/99/568679999.db2.gz UIAZBUDMSBJNIW-HNNXBMFYSA-N 0 0 404.536 3.099 50 0 HGAARN COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ncc(-c3ccccc3C)o2)C1 ZINC000096000128 568680848 /nfs/dbraw/zinc/68/08/48/568680848.db2.gz IVYGFYSDJZVCNP-INIZCTEOSA-N 0 0 409.490 3.338 50 0 HGAARN CC(C)(CC1CCOCC1)C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000096002508 568681643 /nfs/dbraw/zinc/68/16/43/568681643.db2.gz SUJQHZPGYDSDFF-SFHVURJKSA-N 0 0 400.498 3.358 50 0 HGAARN Cc1nc(C)c(C(=O)N2CCOC[C@H]2c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000096002533 568681649 /nfs/dbraw/zinc/68/16/49/568681649.db2.gz UQPZPJABVNNNQN-ZDUSSCGKSA-N 0 0 402.442 3.349 50 0 HGAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000096010165 568683669 /nfs/dbraw/zinc/68/36/69/568683669.db2.gz NDMWEWMCQDRXKM-IRLDBZIGSA-N 0 0 423.900 3.304 50 0 HGAARN Cc1ccc(-c2ocnc2C(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC000096013321 568685143 /nfs/dbraw/zinc/68/51/43/568685143.db2.gz NNLHUHGLHLFIKB-MRXNPFEDSA-N 0 0 402.447 3.443 50 0 HGAARN CCCSc1ccccc1N1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000096027662 568686739 /nfs/dbraw/zinc/68/67/39/568686739.db2.gz PFMVPQWPICNRML-UHFFFAOYSA-N 0 0 404.580 3.031 50 0 HGAARN COC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)cc2C1 ZINC000096096309 568688818 /nfs/dbraw/zinc/68/88/18/568688818.db2.gz QKGWVNFCWFEOMI-UHFFFAOYSA-N 0 0 404.488 3.237 50 0 HGAARN O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1S(=O)(=O)C(F)F ZINC000096098380 568689531 /nfs/dbraw/zinc/68/95/31/568689531.db2.gz PFGQXKFAZOWANJ-UHFFFAOYSA-N 0 0 408.426 3.452 50 0 HGAARN COc1ccc(Br)c(C(=O)NCCn2ccc(-c3ccccn3)n2)c1 ZINC000096098907 568689915 /nfs/dbraw/zinc/68/99/15/568689915.db2.gz OUBDCNUXTRSBBC-UHFFFAOYSA-N 0 0 401.264 3.146 50 0 HGAARN O=S(=O)(c1ccc(Cl)s1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099480 568690257 /nfs/dbraw/zinc/69/02/57/568690257.db2.gz LRIKNHKVYJPECQ-UHFFFAOYSA-N 0 0 423.940 3.168 50 0 HGAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099449 568690359 /nfs/dbraw/zinc/69/03/59/568690359.db2.gz HELDUNQPZGMOEU-KRXBUXKQSA-N 0 0 417.458 3.033 50 0 HGAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)Cc4ccccc4C)CC3)C2=O)c1 ZINC000096105377 568692876 /nfs/dbraw/zinc/69/28/76/568692876.db2.gz ZMYIKNWYYNGZMI-UHFFFAOYSA-N 0 0 419.525 3.268 50 0 HGAARN O=C(c1ccccc1F)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105575 568693057 /nfs/dbraw/zinc/69/30/57/568693057.db2.gz QHMRNYDYBKCNEF-UHFFFAOYSA-N 0 0 415.852 3.206 50 0 HGAARN CC(C)c1nc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc2[nH]1 ZINC000096113720 568693321 /nfs/dbraw/zinc/69/33/21/568693321.db2.gz NUUNOGCMDPQQKY-KRWDZBQOSA-N 0 0 405.458 3.156 50 0 biogenic HGAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccccc1)c1cc(OC)c(O)c(OC)c1 ZINC000096114285 568693879 /nfs/dbraw/zinc/69/38/79/568693879.db2.gz GWWVCJSJVWLJIB-OAHLLOKOSA-N 0 0 412.442 3.124 50 0 biogenic HGAARN COC(=O)C[C@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1cc2c(c(OC)c1)OCO2 ZINC000096114788 568694246 /nfs/dbraw/zinc/69/42/46/568694246.db2.gz KYZKJTKGVMTQOB-HNNXBMFYSA-N 0 0 410.426 3.138 50 0 biogenic HGAARN Cc1cc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cccc(O)c2)no1 ZINC000096115670 568695253 /nfs/dbraw/zinc/69/52/53/568695253.db2.gz ZUZAQNUBYULKHZ-XLIONFOSSA-N 0 0 404.378 3.327 50 0 biogenic HGAARN O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)N[C@H]1C=CS(=O)(=O)C1 ZINC000012391052 568695530 /nfs/dbraw/zinc/69/55/30/568695530.db2.gz VSWBIVDZNNLCQQ-VIFPVBQESA-N 0 0 403.312 3.086 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000012391061 568695538 /nfs/dbraw/zinc/69/55/38/568695538.db2.gz HDGWDTCUHADNSE-UHFFFAOYSA-N 0 0 408.643 3.339 50 0 HGAARN COCCn1ccc2c1cccc2NC(=O)Cn1c(C)nc2ccc(F)cc2c1=O ZINC000096117847 568697495 /nfs/dbraw/zinc/69/74/95/568697495.db2.gz RWWLDWFQRZLKKZ-UHFFFAOYSA-N 0 0 408.433 3.084 50 0 HGAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCSCC2)cc1O ZINC000096118319 568697767 /nfs/dbraw/zinc/69/77/67/568697767.db2.gz AQQQLILPLRSATO-MRXNPFEDSA-N 0 0 407.517 3.146 50 0 HGAARN COc1ccc(CCNC(=O)CN2c3cccnc3Oc3ccccc3C2=O)cc1 ZINC000096118902 568698700 /nfs/dbraw/zinc/69/87/00/568698700.db2.gz WHFXMUHHVYDSID-UHFFFAOYSA-N 0 0 403.438 3.202 50 0 HGAARN O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1cncc(Br)c1 ZINC000096120375 568699343 /nfs/dbraw/zinc/69/93/43/568699343.db2.gz UJYCJAVRVSPQRZ-UHFFFAOYSA-N 0 0 418.291 3.485 50 0 HGAARN O=C(NCCn1cccc1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 ZINC000096124068 568700481 /nfs/dbraw/zinc/70/04/81/568700481.db2.gz YCYUZFOPDSKABW-FQEVSTJZSA-N 0 0 414.513 3.255 50 0 HGAARN COC(=O)CN1c2ccc(NC(=O)c3ccc(Br)o3)cc2C(C)(C)C1=O ZINC000096182198 568702668 /nfs/dbraw/zinc/70/26/68/568702668.db2.gz YGZKAHNFCYMKNI-UHFFFAOYSA-N 0 0 421.247 3.092 50 0 HGAARN CSCC[C@@H]1NC(=O)c2cc(NC(=O)Cn3ccc4ccccc43)ccc2NC1=O ZINC000096221862 568705443 /nfs/dbraw/zinc/70/54/43/568705443.db2.gz XATQFDLANNFRDC-SFHVURJKSA-N 0 0 422.510 3.084 50 0 biogenic HGAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCO2)c1ccc(O)c(OC)c1 ZINC000096222543 568705735 /nfs/dbraw/zinc/70/57/35/568705735.db2.gz BYEPZXWEQAHUCF-MRXNPFEDSA-N 0 0 424.453 3.050 50 0 biogenic HGAARN COC(=O)C[C@H](c1ccc(OCCn2cccn2)cc1)c1c2[nH]snc-2ccc1=O ZINC000096230864 568706721 /nfs/dbraw/zinc/70/67/21/568706721.db2.gz SXLUIFHELSNFJV-MRXNPFEDSA-N 0 0 424.482 3.367 50 0 HGAARN Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1S2 ZINC000096230669 568706879 /nfs/dbraw/zinc/70/68/79/568706879.db2.gz WSLBDHHWIYTUQR-UHFFFAOYSA-N 0 0 420.494 3.391 50 0 HGAARN COC(=O)C[C@H](c1ccc(OCc2nccn2C)cc1)c1c2[nH]snc-2ccc1=O ZINC000096232219 568708137 /nfs/dbraw/zinc/70/81/37/568708137.db2.gz WOPUPWDRZUJBIM-OAHLLOKOSA-N 0 0 424.482 3.404 50 0 HGAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3nnn(C(C)C)n3)cc1)CC2 ZINC000096232630 568708262 /nfs/dbraw/zinc/70/82/62/568708262.db2.gz LAQUKSMQQFUGHW-UHFFFAOYSA-N 0 0 407.474 3.137 50 0 HGAARN Cc1ccc(NC(=O)c2ccco2)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021525754 568709401 /nfs/dbraw/zinc/70/94/01/568709401.db2.gz GZWLWFLNOKPUBE-UHFFFAOYSA-N 0 0 407.430 3.205 50 0 HGAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1C[C@H]1CCCO1 ZINC000021526541 568709443 /nfs/dbraw/zinc/70/94/43/568709443.db2.gz FPRNTJVKFHIAQI-HXOBKFHXSA-N 0 0 413.518 3.467 50 0 HGAARN Cc1ccccc1NC(=O)CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000021531375 568711122 /nfs/dbraw/zinc/71/11/22/568711122.db2.gz GMAVGHZTWRPGAM-UHFFFAOYSA-N 0 0 407.923 3.040 50 0 HGAARN Cc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2Cl)S1(=O)=O ZINC000021531319 568711129 /nfs/dbraw/zinc/71/11/29/568711129.db2.gz IITSRIWOQOREPV-UHFFFAOYSA-N 0 0 407.923 3.040 50 0 HGAARN COc1ccccc1CNC(=O)CN1c2ccccc2S(=O)(=O)c2ccccc21 ZINC000021538492 568712953 /nfs/dbraw/zinc/71/29/53/568712953.db2.gz FZNCKDCFOTYPFO-UHFFFAOYSA-N 0 0 408.479 3.296 50 0 HGAARN C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)NC(N)=O ZINC000229331274 568713910 /nfs/dbraw/zinc/71/39/10/568713910.db2.gz UGJCFISKXJBFJI-LMOYCYGVSA-N 0 0 402.520 3.069 50 0 HGAARN C[C@H](OC[C@H](O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(Cl)cc1 ZINC000229646359 568714924 /nfs/dbraw/zinc/71/49/24/568714924.db2.gz WSPMRBQEYDSYBB-GKIWIXTESA-N 0 0 414.889 3.172 50 0 HGAARN C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccco1)[C@@H](O)c1c(F)cccc1Cl ZINC000229963305 568716037 /nfs/dbraw/zinc/71/60/37/568716037.db2.gz MHYIRIXGIKETMY-WBHUJUFNSA-N 0 0 408.857 3.305 50 0 HGAARN COc1ccc(C(=O)COC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1F ZINC000021563266 568716948 /nfs/dbraw/zinc/71/69/48/568716948.db2.gz KZTACXHWRYRLJL-UHFFFAOYSA-N 0 0 400.362 3.144 50 0 HGAARN COc1cc(-c2noc([C@@H](C)NC(=O)c3ccccc3F)n2)cc(OC)c1OC ZINC000096279128 568717211 /nfs/dbraw/zinc/71/72/11/568717211.db2.gz DEGUHMMEMLXARD-LLVKDONJSA-N 0 0 401.394 3.393 50 0 HGAARN COc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)c1OC ZINC000012416023 568717887 /nfs/dbraw/zinc/71/78/87/568717887.db2.gz QOLMQORDLAOBMB-LBPRGKRZSA-N 0 0 409.398 3.003 50 0 HGAARN COCCNC(=O)CSc1ccccc1C(=O)OCCOc1ccc(C)cc1 ZINC000012423824 568721666 /nfs/dbraw/zinc/72/16/66/568721666.db2.gz CFNLGWKWPVCTFG-UHFFFAOYSA-N 0 0 403.500 3.086 50 0 HGAARN COc1cc(NC(=O)[C@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)cc(OC)c1 ZINC000096309508 568723790 /nfs/dbraw/zinc/72/37/90/568723790.db2.gz LODPTNCKNVKGRF-LJQANCHMSA-N 0 0 422.547 3.017 50 0 biogenic HGAARN COc1ccccc1NC(=O)Cn1c(=O)c2cnn(-c3ccccc3)c2nc1C1CC1 ZINC000012441660 568724306 /nfs/dbraw/zinc/72/43/06/568724306.db2.gz FDRCYVKAGLMQPK-UHFFFAOYSA-N 0 0 415.453 3.107 50 0 HGAARN C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000096311021 568724750 /nfs/dbraw/zinc/72/47/50/568724750.db2.gz OBLRILILZJFGIK-KRWDZBQOSA-N 0 0 406.555 3.392 50 0 HGAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C)cc1 ZINC000012443984 568725071 /nfs/dbraw/zinc/72/50/71/568725071.db2.gz YHCPEMGZZKNFHP-UHFFFAOYSA-N 0 0 412.515 3.192 50 0 HGAARN Cc1cc2nc(COC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)cc(=O)n2o1 ZINC000021633626 568725172 /nfs/dbraw/zinc/72/51/72/568725172.db2.gz VDJSKCJDQNPYHO-UHFFFAOYSA-N 0 0 409.442 3.472 50 0 HGAARN Cc1cccc(C)c1NC(=O)CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000021633909 568725229 /nfs/dbraw/zinc/72/52/29/568725229.db2.gz ZKWKAOMDZPYOTG-UHFFFAOYSA-N 0 0 421.950 3.348 50 0 HGAARN COCC(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2ccccc2F)CC1 ZINC000096316989 568726288 /nfs/dbraw/zinc/72/62/88/568726288.db2.gz JNRVGNMTBPLMHE-UHFFFAOYSA-N 0 0 414.525 3.008 50 0 HGAARN Cc1csc2nc(CSc3nnc(COc4ccccc4C)n3C)cc(=O)n12 ZINC000021643557 568727810 /nfs/dbraw/zinc/72/78/10/568727810.db2.gz JBUVNQPYPWMAIX-UHFFFAOYSA-N 0 0 413.528 3.373 50 0 HGAARN CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3)N2C1=O ZINC000021643633 568727906 /nfs/dbraw/zinc/72/79/06/568727906.db2.gz RRWDEYHMEIPKOV-GOSISDBHSA-N 0 0 406.511 3.495 50 0 HGAARN COc1ccccc1-c1noc(-c2ccc3c(c2)[nH]c(=O)n(CCC(C)C)c3=O)n1 ZINC000096320187 568728440 /nfs/dbraw/zinc/72/84/40/568728440.db2.gz IQKOWENECLXUNP-UHFFFAOYSA-N 0 0 406.442 3.462 50 0 HGAARN CC(C)n1c2ccc(-c3noc(-c4cc5ccccc5oc4=O)n3)cc2[nH]c(=O)c1=O ZINC000096320624 568728734 /nfs/dbraw/zinc/72/87/34/568728734.db2.gz XDLIGWPCLDRNDK-UHFFFAOYSA-N 0 0 416.393 3.094 50 0 HGAARN CCc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1 ZINC000239425715 568729429 /nfs/dbraw/zinc/72/94/29/568729429.db2.gz VBEOCZTYICTUGT-GLHSZLCASA-N 0 0 404.503 3.192 50 0 HGAARN CCc1cccc(NC(=O)Cn2nc3c4cc(-c5ccccc5)nn4ccn3c2=O)c1 ZINC000096322451 568730234 /nfs/dbraw/zinc/73/02/34/568730234.db2.gz PJAHMVQSEFCFRZ-UHFFFAOYSA-N 0 0 412.453 3.012 50 0 HGAARN Cc1ccc(C(=O)NCCNC(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1F ZINC000241277627 568730945 /nfs/dbraw/zinc/73/09/45/568730945.db2.gz LHUDGSIEKBTUHM-KRWDZBQOSA-N 0 0 421.513 3.160 50 0 HGAARN CCc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 ZINC000096322830 568731047 /nfs/dbraw/zinc/73/10/47/568731047.db2.gz AEDMCVIVPNTZSO-UHFFFAOYSA-N 0 0 402.410 3.300 50 0 HGAARN COc1ccc(C(=O)[C@@H](c2cc(OC)c3c(c2OC)OCO3)C(OC)OC)cc1 ZINC000096325941 568734604 /nfs/dbraw/zinc/73/46/04/568734604.db2.gz PGKGCQGVVKXFKX-MRXNPFEDSA-N 0 0 404.415 3.027 50 0 HGAARN Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000005798302 568734774 /nfs/dbraw/zinc/73/47/74/568734774.db2.gz XSPPCPJWNPGWCD-QGZVFWFLSA-N 0 0 420.465 3.306 50 0 HGAARN CC(C)(CC(=O)NCCc1cccs1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000021661412 568736095 /nfs/dbraw/zinc/73/60/95/568736095.db2.gz LUAOFDWWUZHUFB-UHFFFAOYSA-N 0 0 405.545 3.426 50 0 HGAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)CC2CCCCC2)CC3)n1C ZINC000096332607 568736406 /nfs/dbraw/zinc/73/64/06/568736406.db2.gz RZXGIEVPBVRMRC-UHFFFAOYSA-N 0 0 402.568 3.183 50 0 HGAARN CC(=O)N1CCc2[nH]c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3c2C1 ZINC000096363731 568739571 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/nfs/dbraw/zinc/92/27/65/568922765.db2.gz CSQCXGDMVZSXNK-UHFFFAOYSA-N 0 0 406.461 3.305 50 0 HGAARN CCOc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000012735216 568923747 /nfs/dbraw/zinc/92/37/47/568923747.db2.gz LMBWURXVBZQCSN-UHFFFAOYSA-N 0 0 417.531 3.311 50 0 HGAARN Cc1nc(-c2ccc(CCNC(=O)Cn3c(=O)cnc4ccccc43)cc2)cs1 ZINC000012736246 568924895 /nfs/dbraw/zinc/92/48/95/568924895.db2.gz DAWDNAIBWYGCMD-UHFFFAOYSA-N 0 0 404.495 3.187 50 0 HGAARN COC(=O)c1sccc1-n1cc(-c2onc(-c3ccccc3)c2C(=O)OC)nn1 ZINC000001394727 568925183 /nfs/dbraw/zinc/92/51/83/568925183.db2.gz NJWPJJWTCUOQLW-UHFFFAOYSA-N 0 0 410.411 3.224 50 0 HGAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000012737551 568925427 /nfs/dbraw/zinc/92/54/27/568925427.db2.gz PDXHVQOLGUTOIG-IXDOHACOSA-N 0 0 403.500 3.403 50 0 HGAARN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000012737138 568925652 /nfs/dbraw/zinc/92/56/52/568925652.db2.gz DWIHRYOCUATZQF-UHFFFAOYSA-N 0 0 406.813 3.067 50 0 HGAARN Cc1cc(N2CCN(C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)nc(C(C)C)n1 ZINC000031493629 568926915 /nfs/dbraw/zinc/92/69/15/568926915.db2.gz BCVPXHQSFAEJCM-NRFANRHFSA-N 0 0 424.545 3.429 50 0 HGAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[C@@H]1C ZINC000012740154 568927060 /nfs/dbraw/zinc/92/70/60/568927060.db2.gz TZOKBTIMPLNCKU-PJIJBLCYSA-N 0 0 414.518 3.306 50 0 HGAARN CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)cc1 ZINC000031526798 568927449 /nfs/dbraw/zinc/92/74/49/568927449.db2.gz GTFZVNYBRBPESQ-FQEVSTJZSA-N 0 0 407.514 3.181 50 0 HGAARN COCCn1cc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)ccc1=O ZINC000031534413 568927735 /nfs/dbraw/zinc/92/77/35/568927735.db2.gz XRZCZBAKMPTFTK-UHFFFAOYSA-N 0 0 405.303 3.219 50 0 HGAARN C[C@H](Sc1nc2ccccc2c(=O)n1C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000031694598 568929253 /nfs/dbraw/zinc/92/92/53/568929253.db2.gz BISLEBBTSPLKPD-LBPRGKRZSA-N 0 0 405.487 3.298 50 0 HGAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccnn2C2CCCC2)C1=O ZINC000031767260 568930747 /nfs/dbraw/zinc/93/07/47/568930747.db2.gz DZPVCGPOFNEIIG-JOCHJYFZSA-N 0 0 421.457 3.150 50 0 HGAARN CN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000012745699 568931354 /nfs/dbraw/zinc/93/13/54/568931354.db2.gz FCCBYVYMJPOJJL-XMMPIXPASA-N 0 0 417.513 3.205 50 0 HGAARN CCC(CC)[C@@H](CNC(=O)c1cc(Br)ccc1F)N1CCOCC1 ZINC000012748313 568934438 /nfs/dbraw/zinc/93/44/38/568934438.db2.gz UOPGEVGZPGTXCU-QGZVFWFLSA-N 0 0 401.320 3.455 50 0 HGAARN COc1ccc(CN2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1OC ZINC000004041493 568935885 /nfs/dbraw/zinc/93/58/85/568935885.db2.gz BRINNUCUUWKXPO-QHCPKHFHSA-N 0 0 405.454 3.421 50 0 biogenic HGAARN Cc1ccc(C)c(CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)c1 ZINC000004061339 568937069 /nfs/dbraw/zinc/93/70/69/568937069.db2.gz INOBZCFNDLGEHM-UHFFFAOYSA-N 0 0 419.510 3.144 50 0 HGAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc2ccsc2c(=O)[nH]1 ZINC000012749589 568937568 /nfs/dbraw/zinc/93/75/68/568937568.db2.gz XZRLSWCFCINYFW-UHFFFAOYSA-N 0 0 410.421 3.464 50 0 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CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000004091287 568942383 /nfs/dbraw/zinc/94/23/83/568942383.db2.gz WJPDDGQMYQUGSP-MKSNKDDYSA-N 0 0 417.285 3.159 50 0 HGAARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)C(F)(F)F)cc1 ZINC000004090994 568942440 /nfs/dbraw/zinc/94/24/40/568942440.db2.gz GCKVCCCQEVFIII-ZDUSSCGKSA-N 0 0 408.323 3.454 50 0 HGAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000012755188 568942660 /nfs/dbraw/zinc/94/26/60/568942660.db2.gz LITPLVCDTIKKFZ-GJZGRUSLSA-N 0 0 406.479 3.184 50 0 HGAARN Cc1cc(=O)c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000012757374 568943006 /nfs/dbraw/zinc/94/30/06/568943006.db2.gz KAZXXHPNFFBHJF-FQEVSTJZSA-N 0 0 422.916 3.323 50 0 HGAARN COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)cc1OC ZINC000004106303 568943231 /nfs/dbraw/zinc/94/32/31/568943231.db2.gz SFMWGGUGXGAPEX-GDLZYMKVSA-N 0 0 415.446 3.043 50 0 HGAARN CCCN(Cn1nc(-c2ccccc2Cl)oc1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012758476 568943455 /nfs/dbraw/zinc/94/34/55/568943455.db2.gz HZGUHQUSNQRQHD-GFCCVEGCSA-N 0 0 401.941 3.383 50 0 HGAARN Nc1cccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000004107160 568943471 /nfs/dbraw/zinc/94/34/71/568943471.db2.gz CUDYBZQGTJOHJV-DEOSSOPVSA-N 0 0 416.433 3.005 50 0 HGAARN COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(c1=O)S[C@H](C)C2 ZINC000004108024 568943787 /nfs/dbraw/zinc/94/37/87/568943787.db2.gz OXQKKEGRJZQWHR-CQSZACIVSA-N 0 0 419.572 3.274 50 0 HGAARN COc1cc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)sc2cc1OC ZINC000012760247 568944085 /nfs/dbraw/zinc/94/40/85/568944085.db2.gz MUTYCRHITNNYQW-GFCCVEGCSA-N 0 0 415.471 3.397 50 0 HGAARN Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000012757084 568944254 /nfs/dbraw/zinc/94/42/54/568944254.db2.gz FQTUJQYYUATCEY-UHFFFAOYSA-N 0 0 421.569 3.360 50 0 HGAARN COCCN(CC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1)C(=O)OC(C)(C)C ZINC000084199910 568944408 /nfs/dbraw/zinc/94/44/08/568944408.db2.gz LEWXLJWHYWEMJO-RTBURBONSA-N 0 0 406.523 3.124 50 0 HGAARN COCCN(CC(=O)N[C@H]1CCC[C@H]1OCc1ccccc1)C(=O)OC(C)(C)C ZINC000084199915 568944431 /nfs/dbraw/zinc/94/44/31/568944431.db2.gz LEWXLJWHYWEMJO-RBUKOAKNSA-N 0 0 406.523 3.124 50 0 HGAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)c1 ZINC000004122585 568944986 /nfs/dbraw/zinc/94/49/86/568944986.db2.gz MMUMYAUCPUADTQ-UHFFFAOYSA-N 0 0 410.293 3.297 50 0 HGAARN C[C@@H]1CCc2nn(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2C1 ZINC000004917941 568945765 /nfs/dbraw/zinc/94/57/65/568945765.db2.gz OHHJQCICRWZMQB-OAHLLOKOSA-N 0 0 406.452 3.376 50 0 HGAARN CC(C)c1nc(SCc2c(F)cccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004139030 568945994 /nfs/dbraw/zinc/94/59/94/568945994.db2.gz TVFGXHKMCBYKET-UHFFFAOYSA-N 0 0 408.886 3.235 50 0 HGAARN CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O ZINC000004142115 568946259 /nfs/dbraw/zinc/94/62/59/568946259.db2.gz QWKCWPFTYWDSPI-UHFFFAOYSA-N 0 0 417.469 3.236 50 0 HGAARN CCc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 ZINC000012766454 568948562 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COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1OC ZINC000089471474 569060963 /nfs/dbraw/zinc/06/09/63/569060963.db2.gz SXDYGQZVKPTHOK-UHFFFAOYSA-N 0 0 404.488 3.131 50 0 HGAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O ZINC000064438475 569062185 /nfs/dbraw/zinc/06/21/85/569062185.db2.gz OSVUJPAHQOGJIG-UHFFFAOYSA-N 0 0 411.477 3.047 50 0 HGAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(S(C)(=O)=O)CC2)n1)CCCC3 ZINC000035867813 569063313 /nfs/dbraw/zinc/06/33/13/569063313.db2.gz KILVSKHPSXKSKB-CYBMUJFWSA-N 0 0 408.593 3.165 50 0 HGAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000006532645 569064189 /nfs/dbraw/zinc/06/41/89/569064189.db2.gz ZRSLGEPNQQDJJD-UGSOOPFHSA-N 0 0 411.506 3.472 50 0 HGAARN COc1ccc(Cc2nnc3n2N=C(c2cc4ccccc4oc2=O)CS3)cc1 ZINC000006550351 569064946 /nfs/dbraw/zinc/06/49/46/569064946.db2.gz ZXEGIQZWMAOBCM-UHFFFAOYSA-N 0 0 404.451 3.342 50 0 HGAARN CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1C ZINC000006544899 569064999 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CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 ZINC000006583004 569067961 /nfs/dbraw/zinc/06/79/61/569067961.db2.gz UXIQASDIGYPUDV-UHFFFAOYSA-N 0 0 416.528 3.488 50 0 HGAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ncnc2sc3c(c21)CCCC3 ZINC000006584420 569067969 /nfs/dbraw/zinc/06/79/69/569067969.db2.gz BNWNLGSHXQWAIG-GFCCVEGCSA-N 0 0 402.545 3.415 50 0 HGAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@H](c3ccccc3)C2)c1 ZINC000035963431 569069005 /nfs/dbraw/zinc/06/90/05/569069005.db2.gz HDZKVBSNEDUXBR-NRFANRHFSA-N 0 0 408.502 3.423 50 0 HGAARN CCc1cccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)c1 ZINC000064593457 569069520 /nfs/dbraw/zinc/06/95/20/569069520.db2.gz WMVCEOLZQPNDHS-UHFFFAOYSA-N 0 0 405.483 3.173 50 0 HGAARN CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1 ZINC000064593398 569069525 /nfs/dbraw/zinc/06/95/25/569069525.db2.gz RAWCFEFNPLVMJM-UHFFFAOYSA-N 0 0 406.467 3.254 50 0 HGAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc(OC(F)(F)F)cc1 ZINC000027063642 569069760 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/nfs/dbraw/zinc/23/60/83/569236083.db2.gz YUFDYGZCAIBYTJ-UHFFFAOYSA-N 0 0 406.533 3.340 50 0 HGAARN COc1cc(/C=C/C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)ccc1OC(C)C ZINC000065592022 569236839 /nfs/dbraw/zinc/23/68/39/569236839.db2.gz SHXRTFLCBUXUAS-UGAXZCSASA-N 0 0 404.532 3.020 50 0 HGAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccc(Br)c2)[nH]c1=O ZINC000007421866 569237681 /nfs/dbraw/zinc/23/76/81/569237681.db2.gz GDVGKAGLCMIDER-UHFFFAOYSA-N 0 0 416.279 3.150 50 0 HGAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 ZINC000007429577 569238680 /nfs/dbraw/zinc/23/86/80/569238680.db2.gz KPYUKOZIOUUKCD-HNNXBMFYSA-N 0 0 400.862 3.492 50 0 HGAARN C[C@H](C(=O)Nc1cccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)c1)n1cccn1 ZINC000065627155 569239136 /nfs/dbraw/zinc/23/91/36/569239136.db2.gz PSVAFGSUXVEVHH-BEFAXECRSA-N 0 0 405.458 3.208 50 0 HGAARN CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1 ZINC000007444993 569239249 /nfs/dbraw/zinc/23/92/49/569239249.db2.gz IJYSVRVHFJVLTA-UHFFFAOYSA-N 0 0 415.559 3.322 50 0 HGAARN C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007483764 569240844 /nfs/dbraw/zinc/24/08/44/569240844.db2.gz AURFPEWRHVWUQJ-INIZCTEOSA-N 0 0 422.547 3.312 50 0 HGAARN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@](C)(CC(=O)OC)c1ccccn1 ZINC000170600772 569243121 /nfs/dbraw/zinc/24/31/21/569243121.db2.gz VTICNSDMYZAGEG-OYHNWAKOSA-N 0 0 409.490 3.314 50 0 HGAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000007502032 569243420 /nfs/dbraw/zinc/24/34/20/569243420.db2.gz MTUAVNPLXSJNPO-UHFFFAOYSA-N 0 0 421.526 3.264 50 0 HGAARN CCOC(=O)[C@@H](c1ccc(Br)cc1)N(C(=O)Cn1cccn1)C(C)C ZINC000170603849 569244053 /nfs/dbraw/zinc/24/40/53/569244053.db2.gz LQOOOKFBBRULRS-QGZVFWFLSA-N 0 0 408.296 3.187 50 0 HGAARN CCc1ccccc1NC(=O)CN1CCN(c2ncc(C)cc2Br)CC1 ZINC000170603382 569244084 /nfs/dbraw/zinc/24/40/84/569244084.db2.gz GLQREPTVXHEHNM-UHFFFAOYSA-N 0 0 417.351 3.476 50 0 HGAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CC2OCCCO2)nc1C ZINC000170603905 569244171 /nfs/dbraw/zinc/24/41/71/569244171.db2.gz 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CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)c21 ZINC000007554030 569249187 /nfs/dbraw/zinc/24/91/87/569249187.db2.gz UYENCAQUCXPEHE-NSHDSACASA-N 0 0 417.849 3.005 50 0 HGAARN COc1cc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc2c1OCCO2 ZINC000170623205 569249640 /nfs/dbraw/zinc/24/96/40/569249640.db2.gz KLBPWHBFAPUTFY-HXUWFJFHSA-N 0 0 401.434 3.191 50 0 HGAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC2(C1)OCCO2 ZINC000170623258 569249646 /nfs/dbraw/zinc/24/96/46/569249646.db2.gz LVQJZIHDIIUMHO-UHFFFAOYSA-N 0 0 409.408 3.026 50 0 HGAARN Cc1nc(C2(NC(=O)c3cnn(-c4ccc(Br)cc4)c3)CCC2)no1 ZINC000170626063 569250270 /nfs/dbraw/zinc/25/02/70/569250270.db2.gz AJIIJPLNFCCBDS-UHFFFAOYSA-N 0 0 402.252 3.135 50 0 HGAARN Cc1cc2oc(=O)cc(COC(=O)Cc3csc(N4CCCC4=O)n3)c2cc1C ZINC000007569666 569250744 /nfs/dbraw/zinc/25/07/44/569250744.db2.gz OZZPGYKWZRDPME-UHFFFAOYSA-N 0 0 412.467 3.279 50 0 HGAARN Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000071283257 569251867 /nfs/dbraw/zinc/25/18/67/569251867.db2.gz DJNSEHCJZDZJPJ-UHFFFAOYSA-N 0 0 416.528 3.425 50 0 HGAARN COc1cccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C(C)C)c1 ZINC000071284368 569252050 /nfs/dbraw/zinc/25/20/50/569252050.db2.gz HWSWOCRVGGOGQC-NRFANRHFSA-N 0 0 410.518 3.190 50 0 HGAARN COc1ccc2c(ccn2CC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1 ZINC000071282831 569252629 /nfs/dbraw/zinc/25/26/29/569252629.db2.gz VWFPBRKWZPCFBH-UHFFFAOYSA-N 0 0 413.499 3.219 50 0 HGAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009996066 569252697 /nfs/dbraw/zinc/25/26/97/569252697.db2.gz PHAYCPZGJZXJFL-HNNXBMFYSA-N 0 0 412.515 3.215 50 0 HGAARN Cc1csc2nc(CSc3nc4sc5c(c4c(=O)n3C)CCC5)cc(=O)n12 ZINC000009955798 569252729 /nfs/dbraw/zinc/25/27/29/569252729.db2.gz DQDZHPXOQGEIKG-UHFFFAOYSA-N 0 0 416.553 3.154 50 0 HGAARN CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1 ZINC000010254903 569254317 /nfs/dbraw/zinc/25/43/17/569254317.db2.gz QRUQBDJOBGDGGJ-UHFFFAOYSA-N 0 0 410.499 3.140 50 0 HGAARN O=C(COc1ccc2c(c1)OCO2)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000013608327 569256673 /nfs/dbraw/zinc/25/66/73/569256673.db2.gz MEYPXCJDMRWNLM-UHFFFAOYSA-N 0 0 418.453 3.490 50 0 HGAARN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 ZINC000014099704 569258482 /nfs/dbraw/zinc/25/84/82/569258482.db2.gz DKCAWZKVHLILTE-UHFFFAOYSA-N 0 0 417.405 3.031 50 0 HGAARN CCC(CC)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000014242136 569259160 /nfs/dbraw/zinc/25/91/60/569259160.db2.gz NZNONYTYXBADGZ-KRWDZBQOSA-N 0 0 416.547 3.027 50 0 HGAARN CC1CCN(c2nnc(Sc3ccc4nnc(C(F)(F)F)n4n3)n2C2CC2)CC1 ZINC000014311261 569259390 /nfs/dbraw/zinc/25/93/90/569259390.db2.gz VNCUKMANCIYCNM-UHFFFAOYSA-N 0 0 424.456 3.457 50 0 HGAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000014371082 569259685 /nfs/dbraw/zinc/25/96/85/569259685.db2.gz PWBASBSGFJNIFX-UHFFFAOYSA-N 0 0 421.404 3.012 50 0 HGAARN COc1cc(C(=O)Nc2cccc3ccccc32)ccc1OCC(=O)N1CCOCC1 ZINC000014429040 569259986 /nfs/dbraw/zinc/25/99/86/569259986.db2.gz BGWQRYXSUYNIPZ-UHFFFAOYSA-N 0 0 420.465 3.338 50 0 HGAARN COc1cccc(Oc2cc(N3CCN(C(=O)Cc4ccccc4)CC3)ncn2)c1 ZINC000037342203 569261103 /nfs/dbraw/zinc/26/11/03/569261103.db2.gz WBFHEPRQYYRXPG-UHFFFAOYSA-N 0 0 404.470 3.169 50 0 HGAARN COc1ccc(Cl)cc1NC(=O)COC(=O)C(C)(C)[C@@H](O)c1cccc(O)c1 ZINC000089621093 569261342 /nfs/dbraw/zinc/26/13/42/569261342.db2.gz IWGNHNZJHKVIBN-SFHVURJKSA-N 0 0 407.850 3.296 50 0 HGAARN O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000089769838 569263669 /nfs/dbraw/zinc/26/36/69/569263669.db2.gz SURRIPMAGIGKGT-UHFFFAOYSA-N 0 0 415.418 3.352 50 0 HGAARN Cc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1Cl ZINC000016845420 569265031 /nfs/dbraw/zinc/26/50/31/569265031.db2.gz AZYQVTASZDMFOW-UHFFFAOYSA-N 0 0 405.911 3.382 50 0 HGAARN Cc1nn(-c2nc(C)cc(=O)[nH]2)c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016849594 569265631 /nfs/dbraw/zinc/26/56/31/569265631.db2.gz RJUCWMHPVZTWDZ-UHFFFAOYSA-N 0 0 419.407 3.471 50 0 HGAARN O=C(Nc1cccc(C(F)(F)F)c1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000016850882 569265938 /nfs/dbraw/zinc/26/59/38/569265938.db2.gz XQTQGTCDDRYJQO-ZDUSSCGKSA-N 0 0 413.421 3.003 50 0 HGAARN CC(C)c1c(C(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000089891156 569267861 /nfs/dbraw/zinc/26/78/61/569267861.db2.gz YBQCSPGFAGDIBC-MOPGFXCFSA-N 0 0 400.498 3.118 50 0 HGAARN COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1OC ZINC000089905253 569268196 /nfs/dbraw/zinc/26/81/96/569268196.db2.gz ZMCWMEZTJPLSAN-KBPBESRZSA-N 0 0 421.519 3.197 50 0 HGAARN COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1OC ZINC000089905256 569268349 /nfs/dbraw/zinc/26/83/49/569268349.db2.gz ZMCWMEZTJPLSAN-ZIAGYGMSSA-N 0 0 421.519 3.197 50 0 HGAARN C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCSc2ccc(Br)cc2)CC1 ZINC000089920401 569268734 /nfs/dbraw/zinc/26/87/34/569268734.db2.gz SSGZNEQBPSKHMI-BBRMVZONSA-N 0 0 411.365 3.258 50 0 HGAARN C[C@@H]1CN(c2ccc(C(=O)NCC(C)(C)c3ccc4c(c3)OCO4)cn2)C[C@@H](C)O1 ZINC000089936844 569269108 /nfs/dbraw/zinc/26/91/08/569269108.db2.gz ZKBKDIRUBBSPRR-HZPDHXFCSA-N 0 0 411.502 3.132 50 0 HGAARN COc1ccc(S(=O)(=O)N2C[C@H](C)CSc3ccccc32)cc1C(=O)N(C)C ZINC000089941251 569269308 /nfs/dbraw/zinc/26/93/08/569269308.db2.gz HXLUUBOPNUKIGF-AWEZNQCLSA-N 0 0 420.556 3.334 50 0 HGAARN Cc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 ZINC000017026535 569271925 /nfs/dbraw/zinc/27/19/25/569271925.db2.gz YDPJDDVSQJLOKT-UHFFFAOYSA-N 0 0 417.918 3.159 50 0 HGAARN Cc1ccc(NC(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1F ZINC000017121126 569275121 /nfs/dbraw/zinc/27/51/21/569275121.db2.gz WLXJDNOKUXNZTP-UHFFFAOYSA-N 0 0 424.476 3.295 50 0 HGAARN O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccc(C(F)(F)F)cc1 ZINC000017156581 569275981 /nfs/dbraw/zinc/27/59/81/569275981.db2.gz JFRBUVSSPZWJIJ-UHFFFAOYSA-N 0 0 405.351 3.498 50 0 HGAARN CS(=O)(=O)NCCc1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1 ZINC000017260925 569277473 /nfs/dbraw/zinc/27/74/73/569277473.db2.gz NXHXCHMNYXNSPS-UHFFFAOYSA-N 0 0 401.406 3.154 50 0 HGAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000002870575 569278178 /nfs/dbraw/zinc/27/81/78/569278178.db2.gz MSKJEGPNUKFFIC-NSHDSACASA-N 0 0 402.394 3.020 50 0 HGAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4C3(C)C)C2=O)cc1 ZINC000002099565 569281259 /nfs/dbraw/zinc/28/12/59/569281259.db2.gz DUQURIPWBJQUGW-FQEVSTJZSA-N 0 0 403.482 3.207 50 0 biogenic HGAARN COc1ccc(CCN2CC(=O)N3[C@@H](C)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002104447 569282048 /nfs/dbraw/zinc/28/20/48/569282048.db2.gz KVCCNNCLZWCFAX-BTYIYWSLSA-N 0 0 403.482 3.076 50 0 biogenic HGAARN CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 ZINC000002457394 569282156 /nfs/dbraw/zinc/28/21/56/569282156.db2.gz MEEKJTGSRXDPEW-MBSDFSHPSA-N 0 0 416.518 3.264 50 0 HGAARN COc1cc([C@H]2CC(=O)c3cnc(NC[C@H]4CCCO4)nc3C2)cc(OC)c1OC ZINC000002109968 569283774 /nfs/dbraw/zinc/28/37/74/569283774.db2.gz ASKJYRFEUKZQKF-UKRRQHHQSA-N 0 0 413.474 3.006 50 0 biogenic HGAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002112164 569284091 /nfs/dbraw/zinc/28/40/91/569284091.db2.gz QQIHCFGOCLDCLG-VOIUYBSRSA-N 0 0 411.498 3.204 50 0 biogenic HGAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000007598067 569288144 /nfs/dbraw/zinc/28/81/44/569288144.db2.gz QRGXFQKUZNKUGC-UHFFFAOYSA-N 0 0 402.472 3.151 50 0 HGAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2c3c(c(=O)oc2c1)CCC3 ZINC000002152165 569290147 /nfs/dbraw/zinc/29/01/47/569290147.db2.gz MQULXHUFCCJYSD-UHFFFAOYSA-N 0 0 407.422 3.379 50 0 biogenic HGAARN COC(=O)c1c(NC(=O)C2CC2)c2cc(N[C@H](C)CO)cnc2n1Cc1ccccc1 ZINC000014543190 569292063 /nfs/dbraw/zinc/29/20/63/569292063.db2.gz YVERXECRQHATTM-CQSZACIVSA-N 0 0 422.485 3.012 50 0 HGAARN COC(=O)c1ccc(CNC(=O)CSCC(=O)Nc2ccc3ccccc3c2)o1 ZINC000002170644 569293310 /nfs/dbraw/zinc/29/33/10/569293310.db2.gz DCDNNIFWHRQOKT-UHFFFAOYSA-N 0 0 412.467 3.208 50 0 HGAARN Cc1noc([C@@H]2CCCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)C2)n1 ZINC000054661338 569293488 /nfs/dbraw/zinc/29/34/88/569293488.db2.gz BOPOCRZARUYTFY-NVXWUHKLSA-N 0 0 404.898 3.192 50 0 HGAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1 ZINC000252549648 569294041 /nfs/dbraw/zinc/29/40/41/569294041.db2.gz RMTZIYKVMKIIKH-LJQANCHMSA-N 0 0 420.469 3.263 50 0 HGAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2ccc(F)cc21 ZINC000252570855 569294428 /nfs/dbraw/zinc/29/44/28/569294428.db2.gz XKWVQKSYMIMDJB-GOSISDBHSA-N 0 0 408.433 3.077 50 0 HGAARN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)nnc1C1CC1 ZINC000007618217 569295912 /nfs/dbraw/zinc/29/59/12/569295912.db2.gz VMNWXWMMQOZUHA-SNVBAGLBSA-N 0 0 419.576 3.191 50 0 HGAARN COC(=O)C1=C(C)N=c2sc(=C/C=C\c3ccccc3)c(=O)n2[C@H]1c1cccs1 ZINC000252600215 569296843 /nfs/dbraw/zinc/29/68/43/569296843.db2.gz DOXFZFMZOSOEDP-GIJVGANWSA-N 0 0 422.531 3.135 50 0 HGAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)no1 ZINC000007629459 569297750 /nfs/dbraw/zinc/29/77/50/569297750.db2.gz INOHMVAEAKHZSG-MRXNPFEDSA-N 0 0 421.453 3.439 50 0 HGAARN COc1cc(CNC(=O)CNC(=O)c2ccccc2F)ccc1OCc1ccccc1 ZINC000007648925 569298630 /nfs/dbraw/zinc/29/86/30/569298630.db2.gz FNKNEZMVPXAUJS-UHFFFAOYSA-N 0 0 422.456 3.460 50 0 HGAARN CCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3OC)n2)C1 ZINC000037437015 569299348 /nfs/dbraw/zinc/29/93/48/569299348.db2.gz VPZXLPBJDMNXER-CQSZACIVSA-N 0 0 402.520 3.274 50 0 HGAARN O=C(c1ccccc1Br)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000007671404 569300051 /nfs/dbraw/zinc/30/00/51/569300051.db2.gz OKLCWGLCWVYRBH-HNNXBMFYSA-N 0 0 408.317 3.279 50 0 HGAARN CCCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccccc3CC)cc21 ZINC000037512413 569302508 /nfs/dbraw/zinc/30/25/08/569302508.db2.gz METDAYUCDKSHEE-UHFFFAOYSA-N 0 0 424.497 3.152 50 0 HGAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000007735542 569304536 /nfs/dbraw/zinc/30/45/36/569304536.db2.gz PMOOBPKOCZGAEU-HKUYNNGSSA-N 0 0 423.513 3.092 50 0 HGAARN Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1C ZINC000007735576 569304539 /nfs/dbraw/zinc/30/45/39/569304539.db2.gz BMHBTNRENJIPKG-LBPRGKRZSA-N 0 0 414.487 3.124 50 0 HGAARN CCOc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000007735980 569304938 /nfs/dbraw/zinc/30/49/38/569304938.db2.gz DOXNNZQEUHEHPD-GOSISDBHSA-N 0 0 404.557 3.471 50 0 HGAARN O=C([C@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccccc1)N1CCOCC1 ZINC000007745567 569306128 /nfs/dbraw/zinc/30/61/28/569306128.db2.gz VJUBPGTVHDSZNW-QGZVFWFLSA-N 0 0 415.906 3.008 50 0 HGAARN Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3c3nnc(C4CC4)n32)CC1 ZINC000037554475 569306286 /nfs/dbraw/zinc/30/62/86/569306286.db2.gz JSBHYGYGYCMRLS-UHFFFAOYSA-N 0 0 412.497 3.426 50 0 HGAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)c1 ZINC000007757659 569307305 /nfs/dbraw/zinc/30/73/05/569307305.db2.gz OCQAGXPYYYTJRZ-AUUYWEPGSA-N 0 0 419.528 3.220 50 0 HGAARN CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000007794447 569311063 /nfs/dbraw/zinc/31/10/63/569311063.db2.gz TWXMZKOFISQRJZ-UHFFFAOYSA-N 0 0 412.486 3.346 50 0 HGAARN COc1ccc(OCCNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 ZINC000007816041 569312787 /nfs/dbraw/zinc/31/27/87/569312787.db2.gz IDDFVSCMUHBRHP-UHFFFAOYSA-N 0 0 413.861 3.012 50 0 HGAARN C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000007829620 569313543 /nfs/dbraw/zinc/31/35/43/569313543.db2.gz RUFYRMQAGZODQB-CYBMUJFWSA-N 0 0 410.586 3.356 50 0 HGAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000007837658 569314003 /nfs/dbraw/zinc/31/40/03/569314003.db2.gz QFXCRSFPYUAEPM-AWEZNQCLSA-N 0 0 415.471 3.213 50 0 HGAARN C[C@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)NC(=O)NC1CCCC1 ZINC000007877457 569315046 /nfs/dbraw/zinc/31/50/46/569315046.db2.gz RTJXJNJNJNBVDP-AWEZNQCLSA-N 0 0 410.474 3.063 50 0 HGAARN C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000007912809 569321705 /nfs/dbraw/zinc/32/17/05/569321705.db2.gz JQXMVVJZISUQQN-ZDUSSCGKSA-N 0 0 404.488 3.018 50 0 HGAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007917106 569321787 /nfs/dbraw/zinc/32/17/87/569321787.db2.gz CINYMSCDETXIBU-UHFFFAOYSA-N 0 0 404.253 3.004 50 0 HGAARN O=c1/c(=C/c2cccc(F)c2)sc2nc(-c3ccccc3Br)nn12 ZINC000002703299 569322283 /nfs/dbraw/zinc/32/22/83/569322283.db2.gz DDBIPLDADGGBLG-ZROIWOOFSA-N 0 0 402.248 3.267 50 0 HGAARN CCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O ZINC000003015676 569322716 /nfs/dbraw/zinc/32/27/16/569322716.db2.gz OSDLKGQUFSGQLB-UHFFFAOYSA-N 0 0 401.898 3.282 50 0 HGAARN COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(SC)cc1 ZINC000002247879 569324490 /nfs/dbraw/zinc/32/44/90/569324490.db2.gz SBKARQONJQJSBQ-MLGOLLRUSA-N 0 0 406.529 3.247 50 0 HGAARN Cc1nn(-c2ccccc2)c2c1cc1c(=O)n(C)c(=O)nc-1n2-c1ccccc1Cl ZINC000002261824 569325309 /nfs/dbraw/zinc/32/53/09/569325309.db2.gz CRCQCTXDAFBGKA-UHFFFAOYSA-N 0 0 417.856 3.337 50 0 HGAARN C[C@]12C[C@H](O)[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1[C@@H](O)C[C@@H]2c1ccc(=O)oc1 ZINC000257346848 569363840 /nfs/dbraw/zinc/36/38/40/569363840.db2.gz BOZCCNBSFTVVSL-ZLLNNNPCSA-N 0 0 402.531 3.069 50 0 HGAARN COc1ccc2[nH]cc(CCNC(=O)c3c(C)cc(C)n(C[C@H]4CCCO4)c3=O)c2c1 ZINC000253401242 569365689 /nfs/dbraw/zinc/36/56/89/569365689.db2.gz FLMUCFSSDHOZHW-LJQANCHMSA-N 0 0 423.513 3.107 50 0 biogenic HGAARN Cc1nc2ccccn2c1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000253401188 569365721 /nfs/dbraw/zinc/36/57/21/569365721.db2.gz MPASOASNXICQQT-UHFFFAOYSA-N 0 0 418.423 3.159 50 0 HGAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1nc3c(s1)CCC3)C=C2 ZINC000253408930 569366399 /nfs/dbraw/zinc/36/63/99/569366399.db2.gz LFKHNGCJKPOHQG-UHFFFAOYSA-N 0 0 413.499 3.033 50 0 biogenic HGAARN COCCn1c(C)cc(C)c(C(=O)N[C@@H]2CCCc3c4cc(OC)ccc4[nH]c32)c1=O ZINC000253413310 569366730 /nfs/dbraw/zinc/36/67/30/569366730.db2.gz ULGFGIIICGLWCO-HXUWFJFHSA-N 0 0 423.513 3.409 50 0 biogenic HGAARN COC(=O)[C@@H](CNC(=O)c1ccccc1)Sc1nnc(C2CC2)n1-c1ccccc1 ZINC000253421629 569368065 /nfs/dbraw/zinc/36/80/65/569368065.db2.gz ZBVJHTJSGMBDSM-GOSISDBHSA-N 0 0 422.510 3.208 50 0 HGAARN COc1ccccc1N(CCC(N)=O)C(=O)COc1ccc(C(F)(F)F)cc1F ZINC000253426127 569368151 /nfs/dbraw/zinc/36/81/51/569368151.db2.gz OVFSURJEFMZCJM-UHFFFAOYSA-N 0 0 414.355 3.141 50 0 HGAARN COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CCCOc1ccccc1C ZINC000253433240 569370064 /nfs/dbraw/zinc/37/00/64/569370064.db2.gz UJJIQHKDZGIQCO-UHFFFAOYSA-N 0 0 408.458 3.219 50 0 HGAARN CCOC(=O)c1c(N)n(CCOC(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002303505 569372298 /nfs/dbraw/zinc/37/22/98/569372298.db2.gz YVKHDQDNRFRGHZ-UHFFFAOYSA-N 0 0 404.426 3.200 50 0 HGAARN COc1ccc2cc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)c(Cl)nc2c1 ZINC000027556443 569372763 /nfs/dbraw/zinc/37/27/63/569372763.db2.gz BHJNBLSUNBLYJW-GFCCVEGCSA-N 0 0 417.918 3.495 50 0 HGAARN CCOC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3OCC)CC2)cc1 ZINC000055060336 569380737 /nfs/dbraw/zinc/38/07/37/569380737.db2.gz XHFPFFZAVYDRCY-UHFFFAOYSA-N 0 0 411.502 3.023 50 0 HGAARN Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c(C)c1 ZINC000007938661 569385098 /nfs/dbraw/zinc/38/50/98/569385098.db2.gz KUZFPMNKMOFJKW-JOCHJYFZSA-N 0 0 415.440 3.007 50 0 HGAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1CCO ZINC000002353279 569385283 /nfs/dbraw/zinc/38/52/83/569385283.db2.gz LSUPMTJXMNBFIA-MRXNPFEDSA-N 0 0 400.228 3.093 50 0 HGAARN CCC[C@@H](C)N1CCN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)CC1 ZINC000063634574 569389159 /nfs/dbraw/zinc/38/91/59/569389159.db2.gz KSDPRSYZXFOCNM-OAHLLOKOSA-N 0 0 421.563 3.462 50 0 HGAARN CC[C@@H](NC(=O)Cn1c2ccccc2nc1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000027709195 569391191 /nfs/dbraw/zinc/39/11/91/569391191.db2.gz AJLVYEYWQQZSEF-OAHLLOKOSA-N 0 0 405.907 3.361 50 0 HGAARN O=C(OCc1csc(-c2ccccn2)n1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000055151173 569391281 /nfs/dbraw/zinc/39/12/81/569391281.db2.gz JWYAHLHLPFMRSH-UHFFFAOYSA-N 0 0 415.496 3.102 50 0 HGAARN CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002382383 569391375 /nfs/dbraw/zinc/39/13/75/569391375.db2.gz QKBXINTZHXKTBU-GFCCVEGCSA-N 0 0 403.442 3.413 50 0 HGAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)cc1 ZINC000002387738 569392355 /nfs/dbraw/zinc/39/23/55/569392355.db2.gz ZXUSKPZWCKDODP-UHFFFAOYSA-N 0 0 401.467 3.236 50 0 HGAARN O=c1/c(=C\c2ccc(Br)cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002388262 569392552 /nfs/dbraw/zinc/39/25/52/569392552.db2.gz JWTCPJAFVCKSSR-NTEUORMPSA-N 0 0 402.248 3.267 50 0 HGAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)n2N)c1 ZINC000002395758 569394382 /nfs/dbraw/zinc/39/43/82/569394382.db2.gz MXBBFHBNDWTJCD-UHFFFAOYSA-N 0 0 419.894 3.060 50 0 HGAARN CC(C)CCNC(=O)c1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225422196 569395779 /nfs/dbraw/zinc/39/57/79/569395779.db2.gz BWQBILQWHDLDDQ-MSOLQXFVSA-N 0 0 422.529 3.275 50 0 biogenic HGAARN CC(C)OCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 ZINC000002408319 569396569 /nfs/dbraw/zinc/39/65/69/569396569.db2.gz MYFVPLPLGVLDOR-UHFFFAOYSA-N 0 0 418.544 3.479 50 0 HGAARN Cc1ccc(/C=C/C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 ZINC000010569054 569396776 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