smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cc(Br)c(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000169796852 1032537853 /nfs/dbraw/zinc/53/78/53/1032537853.db2.gz NWTFTNXWFQXLHV-UHFFFAOYSA-N 0 0 325.002 4.072 40 0 EIABRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010275727 1023271112 /nfs/dbraw/zinc/27/11/12/1023271112.db2.gz GYPURTCNFSETFC-CYBMUJFWSA-N 0 0 335.444 4.163 40 0 EIABRN Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006922093 201706703 /nfs/dbraw/zinc/70/67/03/201706703.db2.gz VWBOYSPRMRBPBD-UHFFFAOYSA-N 0 0 330.236 4.411 40 0 EIABRN COC(=O)c1ccc(Cc2ccc(C)cc2)n1Cc1ccc(F)cc1 ZINC000226029948 536711411 /nfs/dbraw/zinc/71/14/11/536711411.db2.gz LRUQHEMBSDNWLM-UHFFFAOYSA-N 0 0 337.394 4.361 40 0 EIABRN FC(F)(F)c1cc(I)c(Cl)c(Cl)n1 ZINC000098086084 219081159 /nfs/dbraw/zinc/08/11/59/219081159.db2.gz FTHMZXVPUBNNJM-UHFFFAOYSA-N 0 0 341.885 4.012 40 0 EIABRN CC(C)c1nn2c(nnc3c2CC(C)(C)CC3=O)c1-c1ccccc1 ZINC000010156944 201795320 /nfs/dbraw/zinc/79/53/20/201795320.db2.gz ZXLCHFQVAZNTRU-UHFFFAOYSA-N 0 0 334.423 4.070 40 0 EIABRN O=C1Oc2nc3ccccc3cc2CN1CCc1ccc(Cl)cc1 ZINC000012236758 201834170 /nfs/dbraw/zinc/83/41/70/201834170.db2.gz XLXISYKQEQHUJF-UHFFFAOYSA-N 0 0 338.794 4.445 40 0 EIABRN Clc1ccc(-c2noc(-c3occc3Br)n2)cc1 ZINC000013671434 201907031 /nfs/dbraw/zinc/90/70/31/201907031.db2.gz XJAWNFCAHCKUCE-UHFFFAOYSA-N 0 0 325.549 4.413 40 0 EIABRN COC(=O)c1ccc(C)c(NC(=S)Nc2ccc(Cl)cc2)c1 ZINC000013793255 201915986 /nfs/dbraw/zinc/91/59/86/201915986.db2.gz WJSMTGQUEWCTKZ-UHFFFAOYSA-N 0 0 334.828 4.244 40 0 EIABRN COc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc1OC ZINC000013931237 201921222 /nfs/dbraw/zinc/92/12/22/201921222.db2.gz VWFVCZYTMLFJAX-CQSZACIVSA-N 0 0 344.480 4.368 40 0 EIABRN CCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)C(C)(C)C)n2)c1C ZINC000036614183 201952342 /nfs/dbraw/zinc/95/23/42/201952342.db2.gz JQIFWPFLZLDKSR-NSHDSACASA-N 0 0 337.418 4.453 40 0 EIABRN CC(C)c1nccn1CC(=O)N[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000019454402 202009252 /nfs/dbraw/zinc/00/92/52/202009252.db2.gz AFMBGTUPXKSBNI-LBPRGKRZSA-N 0 0 345.830 4.284 40 0 EIABRN CCN(Cc1cncn1C)c1cccc(OCc2ccc(F)cc2)c1 ZINC000019526663 202009531 /nfs/dbraw/zinc/00/95/31/202009531.db2.gz AUXPITJITMKTQP-UHFFFAOYSA-N 0 0 339.414 4.165 40 0 EIABRN CCc1onc(C)c1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000019521171 202010234 /nfs/dbraw/zinc/01/02/34/202010234.db2.gz KUPQXWUYWRMEHG-LLVKDONJSA-N 0 0 347.484 4.405 40 0 EIABRN Cc1nc(C)c(CC(=O)NCC2(c3ccccc3F)CCCC2)s1 ZINC000019560507 202011413 /nfs/dbraw/zinc/01/14/13/202011413.db2.gz LJOMZSJAUNBFHO-UHFFFAOYSA-N 0 0 346.471 4.070 40 0 EIABRN COc1ccccc1CN[C@H](Cc1ccsc1)c1nccs1 ZINC000019570853 202013441 /nfs/dbraw/zinc/01/34/41/202013441.db2.gz JRPAOHFUDHGRBX-OAHLLOKOSA-N 0 0 330.478 4.287 40 0 EIABRN COc1cccc(-c2nnc(CSc3nc4ccccc4o3)o2)c1 ZINC000019928715 202026549 /nfs/dbraw/zinc/02/65/49/202026549.db2.gz NWNZQXOQEGQIAD-UHFFFAOYSA-N 0 0 339.376 4.179 40 0 EIABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1C ZINC000020025523 202029462 /nfs/dbraw/zinc/02/94/62/202029462.db2.gz CFNVZWCZYRALRT-GFCCVEGCSA-N 0 0 348.240 4.257 40 0 EIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1 ZINC000020036527 202030313 /nfs/dbraw/zinc/03/03/13/202030313.db2.gz BXMAQVSDEWDWEB-GOSISDBHSA-N 0 0 347.455 4.033 40 0 EIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000020041395 202030565 /nfs/dbraw/zinc/03/05/65/202030565.db2.gz KTOGBKZRYSOTDM-UZLBHIALSA-N 0 0 341.451 4.347 40 0 EIABRN COc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1C ZINC000020025545 202028822 /nfs/dbraw/zinc/02/88/22/202028822.db2.gz ZAGKMMOOEDCYPX-GFCCVEGCSA-N 0 0 348.240 4.257 40 0 EIABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(F)ccc1C ZINC000020030112 202028903 /nfs/dbraw/zinc/02/89/03/202028903.db2.gz JWVQEOMUJONURJ-UHFFFAOYSA-N 0 0 327.384 4.213 40 0 EIABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)c(F)c1F ZINC000020030108 202029012 /nfs/dbraw/zinc/02/90/12/202029012.db2.gz OQJBIAZOZULWKM-UHFFFAOYSA-N 0 0 349.337 4.183 40 0 EIABRN Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000020029788 202029112 /nfs/dbraw/zinc/02/91/12/202029112.db2.gz QFXDBSGYGKIBDS-CQSZACIVSA-N 0 0 337.872 4.305 40 0 EIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C ZINC000020105771 202031269 /nfs/dbraw/zinc/03/12/69/202031269.db2.gz OGFCIPMMWKOJMT-QGZVFWFLSA-N 0 0 333.815 4.453 40 0 EIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(OC(C)C)c1 ZINC000020104795 202031592 /nfs/dbraw/zinc/03/15/92/202031592.db2.gz CGGSNNVUBRVXCH-LJQANCHMSA-N 0 0 345.414 4.087 40 0 EIABRN COc1ccc(OC)c(CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000020447827 202042527 /nfs/dbraw/zinc/04/25/27/202042527.db2.gz DXVPADQJQNJKLF-UHFFFAOYSA-N 0 0 340.206 4.192 40 0 EIABRN CCc1ccccc1O[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000020452689 202042740 /nfs/dbraw/zinc/04/27/40/202042740.db2.gz NHSHHLISQCQSDX-HILYYZTDSA-N 0 0 327.468 4.101 40 0 EIABRN COc1ccccc1CN(C)C(=O)CSCc1cccc(Cl)c1 ZINC000020452401 202043255 /nfs/dbraw/zinc/04/32/55/202043255.db2.gz MSOXDTVURVAMQD-UHFFFAOYSA-N 0 0 349.883 4.240 40 0 EIABRN Cc1ccc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000020450660 202043316 /nfs/dbraw/zinc/04/33/16/202043316.db2.gz DNYBZQDGXSJWOM-UHFFFAOYSA-N 0 0 325.452 4.330 40 0 EIABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000020481315 202044252 /nfs/dbraw/zinc/04/42/52/202044252.db2.gz XRYPEBQGSZWBMY-INIZCTEOSA-N 0 0 346.814 4.095 40 0 EIABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCCCc1ccc(F)cc1 ZINC000020459269 202044388 /nfs/dbraw/zinc/04/43/88/202044388.db2.gz IFBVUFGNHRZUEF-MRXNPFEDSA-N 0 0 343.442 4.465 40 0 EIABRN Cc1cccc(CSCCNC(=O)Cc2cc(C)ccc2C)c1 ZINC000020459045 202044538 /nfs/dbraw/zinc/04/45/38/202044538.db2.gz BNLMYRZDZQCWDI-UHFFFAOYSA-N 0 0 327.493 4.204 40 0 EIABRN COc1ccc(CSCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000020482208 202044973 /nfs/dbraw/zinc/04/49/73/202044973.db2.gz JXAKEBNSYIASPH-UHFFFAOYSA-N 0 0 349.883 4.240 40 0 EIABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000020483681 202045001 /nfs/dbraw/zinc/04/50/01/202045001.db2.gz JBFYNBRWMSYVRJ-UONOGXRCSA-N 0 0 347.842 4.383 40 0 EIABRN COc1ccc(CSCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000020486814 202045604 /nfs/dbraw/zinc/04/56/04/202045604.db2.gz LYFWOHADGQOBMR-MRXNPFEDSA-N 0 0 343.492 4.423 40 0 EIABRN CCOc1cccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)c1 ZINC000020490920 202045674 /nfs/dbraw/zinc/04/56/74/202045674.db2.gz NGYJCESNRNKOTJ-GOSISDBHSA-N 0 0 327.424 4.498 40 0 EIABRN COc1ccc([C@@H]2Cc3c(c(C)nn3-c3ccccc3)C(=O)C2)cc1 ZINC000020632705 202051434 /nfs/dbraw/zinc/05/14/34/202051434.db2.gz KIODMLQCORUXRC-MRXNPFEDSA-N 0 0 332.403 4.102 40 0 EIABRN COc1ccccc1[C@@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000021195782 202063298 /nfs/dbraw/zinc/06/32/98/202063298.db2.gz PSHPRPXKYCLFFB-CYBMUJFWSA-N 0 0 347.842 4.383 40 0 EIABRN COc1cccc(NC(=O)c2cccnc2Nc2cccc(C)c2)c1 ZINC000022072109 202079242 /nfs/dbraw/zinc/07/92/42/202079242.db2.gz DUESWYHSKNWTEL-UHFFFAOYSA-N 0 0 333.391 4.395 40 0 EIABRN O[C@](COc1ccc(Cl)cc1)(c1ccccc1)c1ccccn1 ZINC000022115027 202079853 /nfs/dbraw/zinc/07/98/53/202079853.db2.gz CCQMTIAHTUTMBE-LJQANCHMSA-N 0 0 325.795 4.050 40 0 EIABRN Cc1cccc(C(C)C)c1NC(=O)c1cn(C)c2ccccc2c1=O ZINC000022234240 202081346 /nfs/dbraw/zinc/08/13/46/202081346.db2.gz IWXUXGCILBZVQD-UHFFFAOYSA-N 0 0 334.419 4.223 40 0 EIABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCCCCC1 ZINC000022245402 202082280 /nfs/dbraw/zinc/08/22/80/202082280.db2.gz YQLRDACOQJITGA-UHFFFAOYSA-N 0 0 329.469 4.236 40 0 EIABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCC(C)CC1 ZINC000022245391 202082375 /nfs/dbraw/zinc/08/23/75/202082375.db2.gz QKJZTAMZBZZIAP-UHFFFAOYSA-N 0 0 329.469 4.092 40 0 EIABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C ZINC000022464597 202085744 /nfs/dbraw/zinc/08/57/44/202085744.db2.gz CQFJIZYZIARKAP-UHFFFAOYSA-N 0 0 336.435 4.182 40 0 EIABRN CCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1Cl ZINC000022522142 202086718 /nfs/dbraw/zinc/08/67/18/202086718.db2.gz XZIBYEWJNCDZNU-HNNXBMFYSA-N 0 0 345.870 4.419 40 0 EIABRN CCOc1cccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)c1 ZINC000022524126 202086730 /nfs/dbraw/zinc/08/67/30/202086730.db2.gz TWHMQOGTMDLBDB-SFHVURJKSA-N 0 0 327.424 4.498 40 0 EIABRN CC(C)c1ccc(-c2noc(CCC(=O)N3CCC(C)CC3)n2)cc1 ZINC000023391960 202103391 /nfs/dbraw/zinc/10/33/91/202103391.db2.gz VFOUTZMJWIZQPY-UHFFFAOYSA-N 0 0 341.455 4.051 40 0 EIABRN CC[C@H](NC(=O)CCSc1ccccc1)c1ccc(OC)cc1 ZINC000025513008 202132727 /nfs/dbraw/zinc/13/27/27/202132727.db2.gz RZJAXPNOQVILEJ-SFHVURJKSA-N 0 0 329.465 4.445 40 0 EIABRN CSc1ccccc1NC(=O)CCc1nc(-c2ccccc2)no1 ZINC000026361843 202141943 /nfs/dbraw/zinc/14/19/43/202141943.db2.gz NQDIQAGQSOMWSD-UHFFFAOYSA-N 0 0 339.420 4.030 40 0 EIABRN CCOc1ccc([C@H](C)NC(=O)CSc2ccc(OC)cc2)cc1 ZINC000026051331 202138141 /nfs/dbraw/zinc/13/81/41/202138141.db2.gz VIKRXSYLHKELSR-AWEZNQCLSA-N 0 0 345.464 4.063 40 0 EIABRN O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039766959 202162855 /nfs/dbraw/zinc/16/28/55/202162855.db2.gz XEAWACXNGIWIKN-UHFFFAOYSA-N 0 0 346.833 4.330 40 0 EIABRN Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039752712 202162945 /nfs/dbraw/zinc/16/29/45/202162945.db2.gz HLCMQOGUABAKTG-UHFFFAOYSA-N 0 0 342.870 4.499 40 0 EIABRN Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000039762101 202163194 /nfs/dbraw/zinc/16/31/94/202163194.db2.gz BLVDEMRRIFOOSI-UHFFFAOYSA-N 0 0 340.442 4.293 40 0 EIABRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000028260767 202168488 /nfs/dbraw/zinc/16/84/88/202168488.db2.gz JKHGKSUQSAXCTD-UHFFFAOYSA-N 0 0 349.427 4.256 40 0 EIABRN CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000030008075 202192683 /nfs/dbraw/zinc/19/26/83/202192683.db2.gz ULIIHABOIJWKSO-GOSISDBHSA-N 0 0 335.444 4.033 40 0 EIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(C)cc1 ZINC000030756510 202198702 /nfs/dbraw/zinc/19/87/02/202198702.db2.gz LCYTVZVCAFXQJO-SFHVURJKSA-N 0 0 331.843 4.464 40 0 EIABRN CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000030850569 202198925 /nfs/dbraw/zinc/19/89/25/202198925.db2.gz QSEJWMAEYVQBDO-QGZVFWFLSA-N 0 0 337.872 4.219 40 0 EIABRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(Cl)c1 ZINC000030851436 202198948 /nfs/dbraw/zinc/19/89/48/202198948.db2.gz WMPBXDQKIXWIAZ-BJMVGYQFSA-N 0 0 347.773 4.308 40 0 EIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)cc1OC ZINC000030850202 202199681 /nfs/dbraw/zinc/19/96/81/202199681.db2.gz FAJIGBYDTPRWND-SFHVURJKSA-N 0 0 343.423 4.117 40 0 EIABRN CCc1ccccc1O[C@@H](C)C(=O)NCCSc1ccc(C)cc1 ZINC000030859736 202200900 /nfs/dbraw/zinc/20/09/00/202200900.db2.gz VMHSJYRLAJTEMA-INIZCTEOSA-N 0 0 343.492 4.233 40 0 EIABRN Cc1cccc(CNC(=O)c2cc(Br)ccc2Cl)c1 ZINC000031107480 202202718 /nfs/dbraw/zinc/20/27/18/202202718.db2.gz PKCYFCZDOHYTTN-UHFFFAOYSA-N 0 0 338.632 4.341 40 0 EIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1C ZINC000032627836 202228586 /nfs/dbraw/zinc/22/85/86/202228586.db2.gz RBTOXVFFIQCNCN-QGZVFWFLSA-N 0 0 338.451 4.310 40 0 EIABRN CCCCOc1ccc(C(=O)NCOc2ccccc2Cl)cc1 ZINC000032109746 202221484 /nfs/dbraw/zinc/22/14/84/202221484.db2.gz CRBSNMRIUNLFQT-UHFFFAOYSA-N 0 0 333.815 4.285 40 0 EIABRN COc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000032189123 202222481 /nfs/dbraw/zinc/22/24/81/202222481.db2.gz LNXIFYPCWVTCEH-UHFFFAOYSA-N 0 0 333.387 4.450 40 0 EIABRN C/C=C/c1ccc(OCCCCn2nnc3ccccc32)c(OC)c1 ZINC000035143501 202288526 /nfs/dbraw/zinc/28/85/26/202288526.db2.gz NTYNZQRZENLOMJ-FPYGCLRLSA-N 0 0 337.423 4.332 40 0 EIABRN Cc1ncc(NC(=O)CC(C)C)n1-c1nc(-c2ccccc2)cs1 ZINC000035682930 202308385 /nfs/dbraw/zinc/30/83/85/202308385.db2.gz NRVDTEAGOAYZMM-UHFFFAOYSA-N 0 0 340.452 4.289 40 0 EIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OC(C)C)cc1 ZINC000036561577 202326095 /nfs/dbraw/zinc/32/60/95/202326095.db2.gz SJRRWEAGDFEHSP-HXUWFJFHSA-N 0 0 341.451 4.256 40 0 EIABRN Cc1ccccc1N[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000036635847 202328329 /nfs/dbraw/zinc/32/83/29/202328329.db2.gz AAGGPQCNJWWWJA-CYBMUJFWSA-N 0 0 349.217 4.046 40 0 EIABRN COc1ccccc1C(=O)Nc1nc(C)c(Cc2ccccc2)s1 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OKACTRDVUIMCSZ-UHFFFAOYSA-N 0 0 340.467 4.463 40 0 EIABRN COc1ccccc1/C=C1\N=C(c2ccc(C)c(Cl)c2)OC1=O ZINC000006478118 564125999 /nfs/dbraw/zinc/12/59/99/564125999.db2.gz HTKIFRJFFMZOLL-GDNBJRDFSA-N 0 0 327.767 4.002 40 0 EIABRN CCCCc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1 ZINC000006652823 564126144 /nfs/dbraw/zinc/12/61/44/564126144.db2.gz ZQVLYXXFKTZUKW-UHFFFAOYSA-N 0 0 330.472 4.054 40 0 EIABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O ZINC000006654892 564126172 /nfs/dbraw/zinc/12/61/72/564126172.db2.gz WOTYXCIZRNKPSG-YRNVUSSQSA-N 0 0 346.235 4.448 40 0 EIABRN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)cc1 ZINC000007468443 564126715 /nfs/dbraw/zinc/12/67/15/564126715.db2.gz MLZVSMKXTAIJKJ-UHFFFAOYSA-N 0 0 345.402 4.082 40 0 EIABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(OC(C)C)c1 ZINC000008479486 564127423 /nfs/dbraw/zinc/12/74/23/564127423.db2.gz NFBNINJLEHOXGT-QGZVFWFLSA-N 0 0 331.387 4.409 40 0 EIABRN O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1Cl ZINC000014423991 564127877 /nfs/dbraw/zinc/12/78/77/564127877.db2.gz BZWGZTJLTQQJLW-UHFFFAOYSA-N 0 0 342.826 4.265 40 0 EIABRN CCOC(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 ZINC000014908869 564127898 /nfs/dbraw/zinc/12/78/98/564127898.db2.gz QXTWRZRYYBIUGY-UHFFFAOYSA-N 0 0 343.448 4.044 40 0 EIABRN CCC(=O)N1CCC(c2cc(-c3ccc(OC)cc3)cc(C)n2)CC1 ZINC000019691099 564128011 /nfs/dbraw/zinc/12/80/11/564128011.db2.gz QACXRSCDMSWKCV-UHFFFAOYSA-N 0 0 338.451 4.182 40 0 EIABRN COc1ccccc1N1C(=O)/C(=C\c2sccc2C)SC1=S ZINC000047080691 564128545 /nfs/dbraw/zinc/12/85/45/564128545.db2.gz XIRAYUCPBVTKTO-NTEUORMPSA-N 0 0 347.486 4.471 40 0 EIABRN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)SCc1ccccc1 ZINC000057677910 564128576 /nfs/dbraw/zinc/12/85/76/564128576.db2.gz DAVJCYMUUBICMT-SJORKVTESA-N 0 0 327.493 4.446 40 0 EIABRN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccccc1F ZINC000107985915 564128750 /nfs/dbraw/zinc/12/87/50/564128750.db2.gz HECWNMGCJBEEFZ-UHFFFAOYSA-N 0 0 336.366 4.012 40 0 EIABRN O=C1NC(=Cc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000111381434 564128766 /nfs/dbraw/zinc/12/87/66/564128766.db2.gz FQYAJBUTWHRDON-RIYZIHGNSA-N 0 0 333.174 4.091 40 0 EIABRN COC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000062715194 564133845 /nfs/dbraw/zinc/13/38/45/564133845.db2.gz RELIKRFUUOTYKK-JXMROGBWSA-N 0 0 347.208 4.214 40 0 EIABRN CCCC[C@@H]([NH2+]COCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000390822547 564138404 /nfs/dbraw/zinc/13/84/04/564138404.db2.gz CLUDJBVLJWAQJT-HXUWFJFHSA-N 0 0 339.435 4.006 40 0 EIABRN Cc1[nH]c(=S)c(C(=O)NCc2ccccc2)c2c1CC[C@H](C)C2 ZINC000095117561 564139149 /nfs/dbraw/zinc/13/91/49/564139149.db2.gz RUEZPOFONISBHD-LBPRGKRZSA-N 0 0 326.465 4.107 40 0 EIABRN C[C@@H]([NH2+]Cc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)[O-] ZINC000096297097 564146596 /nfs/dbraw/zinc/14/65/96/564146596.db2.gz PWYLGVHIGCRYQH-GFCCVEGCSA-N 0 0 340.354 4.030 40 0 biogenic,in-vitro EIABRN CC(C)(C)OC(=O)c1ccc(F)cc1Oc1cnc2[nH]ccc2c1 ZINC000498050825 564160049 /nfs/dbraw/zinc/16/00/49/564160049.db2.gz GEDSCQZIOWXXTA-UHFFFAOYSA-N 0 0 328.343 4.401 40 0 EIABRN CC(C)NC(=O)N[C@H]1C[C@@H](Cc2cc(-c3ccccc3)on2)C1(C)C ZINC000067889900 564167272 /nfs/dbraw/zinc/16/72/72/564167272.db2.gz BDYFWVNCBFNNRW-QAPCUYQASA-N 0 0 341.455 4.006 40 0 biogenic,in-vitro EIABRN CC[C@H]1CCc2nc(NC(=O)c3cc(C(C)=O)cs3)sc2C1 ZINC000170945164 564177404 /nfs/dbraw/zinc/17/74/04/564177404.db2.gz TWOSSCRVRCLLGT-JTQLQIEISA-N 0 0 334.466 4.174 40 0 EIABRN CC(C)(C)C[C@@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C(F)(F)F ZINC000184661732 564177666 /nfs/dbraw/zinc/17/76/66/564177666.db2.gz MQDNHIOUCWYOGU-CHWSQXEVSA-N 0 0 346.397 4.013 40 0 EIABRN CCOc1ccc(CNc2ccc(Br)cc2)cc1OC ZINC000020090285 1023725478 /nfs/dbraw/zinc/72/54/78/1023725478.db2.gz AQVPYNZXHYXWTL-UHFFFAOYSA-N 0 0 336.229 4.469 40 0 EIABRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3c(C)cccc3C(C)C)C(=O)[C@@H]21 ZINC000006789439 201698286 /nfs/dbraw/zinc/69/82/86/201698286.db2.gz DAVJIYRGNCDSPN-NBMJBFSESA-N 0 0 335.447 4.376 40 0 EIABRN Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1ccccc1 ZINC000007618828 201724121 /nfs/dbraw/zinc/72/41/21/201724121.db2.gz NRPMWZFDGQYKRN-UHFFFAOYSA-N 0 0 337.400 4.158 40 0 EIABRN CC(C)c1ccc(C(=O)N2CCC(n3cnc4cccnc43)CC2)cc1 ZINC000012144605 201828462 /nfs/dbraw/zinc/82/84/62/201828462.db2.gz GFRPZZBDPOPCKM-UHFFFAOYSA-N 0 0 348.450 4.032 40 0 EIABRN CC(C)=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000012363866 201840864 /nfs/dbraw/zinc/84/08/64/201840864.db2.gz KQYUGGMMKPPZTR-WOUAJJJCSA-N 0 0 329.399 4.098 40 0 EIABRN Cc1ccc(CCCNC(=O)c2ccccc2Br)cc1 ZINC000013647447 201905622 /nfs/dbraw/zinc/90/56/22/201905622.db2.gz FQWQPHMNQIQPNR-UHFFFAOYSA-N 0 0 332.241 4.120 40 0 EIABRN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000013671653 201906622 /nfs/dbraw/zinc/90/66/22/201906622.db2.gz FJHQHBVXPBIDIP-AWEZNQCLSA-N 0 0 341.451 4.492 40 0 EIABRN Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000013710819 201910743 /nfs/dbraw/zinc/91/07/43/201910743.db2.gz XUYPRSVTPYFNBK-QZTJIDSGSA-N 0 0 325.452 4.208 40 0 EIABRN COc1ccc(C)cc1NC(=S)Nc1cc(Cl)ccc1OC ZINC000013792525 201915364 /nfs/dbraw/zinc/91/53/64/201915364.db2.gz YVIAEFBXVJXFAQ-UHFFFAOYSA-N 0 0 336.844 4.475 40 0 EIABRN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000013938183 201921236 /nfs/dbraw/zinc/92/12/36/201921236.db2.gz ZEVLJOTVPMWQJK-HNNXBMFYSA-N 0 0 325.433 4.188 40 0 EIABRN COc1ccccc1Oc1ccc(I)cc1 ZINC000015020586 201947063 /nfs/dbraw/zinc/94/70/63/201947063.db2.gz FGVNCPWOQYKDHX-UHFFFAOYSA-N 0 0 326.133 4.092 40 0 EIABRN O=C(COc1ccc2ccccc2c1)NCCSc1ccccc1 ZINC000015136597 201952027 /nfs/dbraw/zinc/95/20/27/201952027.db2.gz QRNAACQVGPZWSL-UHFFFAOYSA-N 0 0 337.444 4.127 40 0 EIABRN C[C@H]1CCCCN1C(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740421 201979115 /nfs/dbraw/zinc/97/91/15/201979115.db2.gz NDVGAGXOEAALTI-HNNXBMFYSA-N 0 0 331.419 4.311 40 0 EIABRN CC1(NC(=S)Nc2ccc(Br)cc2)CCCCC1 ZINC000225846520 535188919 /nfs/dbraw/zinc/18/89/19/535188919.db2.gz FBDKZMAFHDEQQJ-UHFFFAOYSA-N 0 0 327.291 4.458 40 0 EIABRN CCOc1ccccc1NC(=S)NCCSc1ccccc1 ZINC000018165610 201994699 /nfs/dbraw/zinc/99/46/99/201994699.db2.gz ASHCTDMWOIWZSD-UHFFFAOYSA-N 0 0 332.494 4.164 40 0 EIABRN O=C(C1[C@@H]2CCCC[C@H]12)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000019346141 202005235 /nfs/dbraw/zinc/00/52/35/202005235.db2.gz JBBSLHAKQMXMML-MVVMVCHASA-N 0 0 342.414 4.109 40 0 EIABRN Clc1ccc(-c2nc(-c3cccnc3)ncc2-c2ncc[nH]2)cc1 ZINC000019341276 202006193 /nfs/dbraw/zinc/00/61/93/202006193.db2.gz AVHCYGCKLIQGKV-UHFFFAOYSA-N 0 0 333.782 4.249 40 0 EIABRN CC(C)Nc1ncc(-c2cccc(Cl)c2)c(-c2nccn2C)n1 ZINC000019450358 202007271 /nfs/dbraw/zinc/00/72/71/202007271.db2.gz MFIXGYQZMIRICI-UHFFFAOYSA-N 0 0 327.819 4.018 40 0 EIABRN CCOc1ccc2cc3c(nc2c1)OC(=O)N(C1CCCCC1)C3 ZINC000019519987 202009972 /nfs/dbraw/zinc/00/99/72/202009972.db2.gz OWBNYPVAUZZCFG-UHFFFAOYSA-N 0 0 326.396 4.281 40 0 EIABRN Cc1nc(C)c(C(=O)N[C@@H]2[C@@H](c3ccccc3)[C@H]3CCCC[C@@H]32)s1 ZINC000019560341 202011242 /nfs/dbraw/zinc/01/12/42/202011242.db2.gz VLLZCVFWLVLISA-XSLAGTTESA-N 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UKRWMXYCBXTIEK-IBGZPJMESA-N 0 0 343.442 4.349 40 0 EIABRN COC(=O)c1cc2cc(NC(=O)Cc3cccc(F)c3)ccc2s1 ZINC000019935000 202028099 /nfs/dbraw/zinc/02/80/99/202028099.db2.gz USKTZDDDZIBETR-UHFFFAOYSA-N 0 0 343.379 4.008 40 0 EIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000020041392 202030057 /nfs/dbraw/zinc/03/00/57/202030057.db2.gz KTOGBKZRYSOTDM-OXQOHEQNSA-N 0 0 341.451 4.347 40 0 EIABRN CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000020043371 202030127 /nfs/dbraw/zinc/03/01/27/202030127.db2.gz HJUZHVYGXNZSQD-MJGOQNOKSA-N 0 0 325.452 4.290 40 0 EIABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)cc1OC ZINC000020044629 202030144 /nfs/dbraw/zinc/03/01/44/202030144.db2.gz NRBWZCYPQAXNQV-HNNXBMFYSA-N 0 0 349.814 4.153 40 0 EIABRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2C)cc1OC ZINC000020037866 202030456 /nfs/dbraw/zinc/03/04/56/202030456.db2.gz PYPMXRLOJWULOI-YCABEKBOSA-N 0 0 339.435 4.211 40 0 EIABRN Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 ZINC000020036971 202030917 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564014780 /nfs/dbraw/zinc/01/47/80/564014780.db2.gz IDVPVNPVSQSIRO-UHSVVUDUSA-N 0 0 333.859 4.192 40 0 EIABRN COC[C@@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000007349497 564015481 /nfs/dbraw/zinc/01/54/81/564015481.db2.gz BLYXTSSTHCGOAG-CYBMUJFWSA-N 0 0 349.883 4.397 40 0 EIABRN CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)cc2)o1 ZINC000007602155 564015651 /nfs/dbraw/zinc/01/56/51/564015651.db2.gz BHPPGYSBZYZVEA-UHFFFAOYSA-N 0 0 332.404 4.036 40 0 EIABRN Cc1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007602312 564015694 /nfs/dbraw/zinc/01/56/94/564015694.db2.gz GKUUVHQFJRLZKN-UHFFFAOYSA-N 0 0 338.795 4.045 40 0 EIABRN COc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000008167128 564016079 /nfs/dbraw/zinc/01/60/79/564016079.db2.gz XWOKZUREBJJVOT-UHFFFAOYSA-N 0 0 340.604 4.363 40 0 EIABRN CC(=O)c1sc(N)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000008536139 564016366 /nfs/dbraw/zinc/01/63/66/564016366.db2.gz RJZLMFRURWYBDZ-UHFFFAOYSA-N 0 0 342.342 4.112 40 0 EIABRN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)CC(c1ccc(C)cc1)=N2 ZINC000008570200 564016385 /nfs/dbraw/zinc/01/63/85/564016385.db2.gz HOKNNBMPXVISHL-SFHVURJKSA-N 0 0 338.361 4.229 40 0 EIABRN CCCCC(=O)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 ZINC000009141848 564016801 /nfs/dbraw/zinc/01/68/01/564016801.db2.gz WWVCJCUGXPXTTI-UHFFFAOYSA-N 0 0 332.425 4.138 40 0 EIABRN Cc1ccccc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000009141893 564016824 /nfs/dbraw/zinc/01/68/24/564016824.db2.gz CNJNMWWRPWDVNS-UHFFFAOYSA-N 0 0 344.414 4.429 40 0 EIABRN Cc1cc(C)nc(Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 ZINC000170569282 564017282 /nfs/dbraw/zinc/01/72/82/564017282.db2.gz XBZHWOYUIYZEIZ-INIZCTEOSA-N 0 0 346.434 4.328 40 0 EIABRN Cc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000010329959 564017327 /nfs/dbraw/zinc/01/73/27/564017327.db2.gz ZWSWSZMYXIJQCK-UHFFFAOYSA-N 0 0 336.204 4.468 40 0 EIABRN CC(C)Oc1cccc(CCCNC(=O)c2ccc(Cl)cc2)c1 ZINC000010542295 564017457 /nfs/dbraw/zinc/01/74/57/564017457.db2.gz CQAMROFWHQNMEK-UHFFFAOYSA-N 0 0 331.843 4.490 40 0 EIABRN O=S(=O)(NCCC1CCCCCC1)c1ccc2ccccc2c1 ZINC000010543515 564017492 /nfs/dbraw/zinc/01/74/92/564017492.db2.gz AUQWILWZSNDLEY-UHFFFAOYSA-N 0 0 331.481 4.479 40 0 EIABRN O=C(c1cc2ccccc2s1)N1CCC[C@@H](c2nccs2)C1 ZINC000171644965 564017564 /nfs/dbraw/zinc/01/75/64/564017564.db2.gz MYQFEHDHHHIHPY-CYBMUJFWSA-N 0 0 328.462 4.378 40 0 EIABRN C=CC(=O)Nc1cccc(Nc2nc(Cl)ncc2C(F)(F)F)c1 ZINC000167749986 564019437 /nfs/dbraw/zinc/01/94/37/564019437.db2.gz AXMHVOLJINONIM-UHFFFAOYSA-N 0 0 342.708 4.017 40 0 EIABRN Cc1cccc2cc3c(nc12)O[C@@H](C)CN(CCc1ccccc1)C3 ZINC000013563842 564020377 /nfs/dbraw/zinc/02/03/77/564020377.db2.gz JVSBSXSTLCSGEL-KRWDZBQOSA-N 0 0 332.447 4.369 40 0 EIABRN CCn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 ZINC000014091391 564021348 /nfs/dbraw/zinc/02/13/48/564021348.db2.gz QCGKFZRQVAXZMK-UHFFFAOYSA-N 0 0 327.428 4.320 40 0 EIABRN CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 ZINC000014091389 564021353 /nfs/dbraw/zinc/02/13/53/564021353.db2.gz JOMHNPVUSDDXAF-UHFFFAOYSA-N 0 0 327.428 4.320 40 0 EIABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000014257749 564021734 /nfs/dbraw/zinc/02/17/34/564021734.db2.gz AAZJXXQEWWPVKT-UHFFFAOYSA-N 0 0 338.782 4.218 40 0 EIABRN Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)C)cc3n2)cc1Cl ZINC000014258091 564021809 /nfs/dbraw/zinc/02/18/09/564021809.db2.gz OOVQJGSOIFFJMJ-UHFFFAOYSA-N 0 0 342.830 4.367 40 0 EIABRN CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000014258432 564021883 /nfs/dbraw/zinc/02/18/83/564021883.db2.gz UMTOUCKKGJIDEA-UHFFFAOYSA-N 0 0 340.423 4.321 40 0 EIABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000014258461 564021917 /nfs/dbraw/zinc/02/19/17/564021917.db2.gz JHDDLBDRKMKNBK-DHZHZOJOSA-N 0 0 328.799 4.340 40 0 EIABRN CCCCOc1ccc(C(=O)Nc2cccc(C(=O)OCC)c2)cc1 ZINC000014291392 564022157 /nfs/dbraw/zinc/02/21/57/564022157.db2.gz MYOWUILQDGXXSJ-UHFFFAOYSA-N 0 0 341.407 4.295 40 0 EIABRN COc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)c1 ZINC000014607139 564023587 /nfs/dbraw/zinc/02/35/87/564023587.db2.gz VKSSCWVFCMZOMS-UHFFFAOYSA-N 0 0 333.391 4.144 40 0 EIABRN CCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1 ZINC000014654389 564023649 /nfs/dbraw/zinc/02/36/49/564023649.db2.gz XMCAJOYGSHWQSD-UHFFFAOYSA-N 0 0 334.213 4.409 40 0 EIABRN CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118935579 564025022 /nfs/dbraw/zinc/02/50/22/564025022.db2.gz YATPIFKIZZKJFX-VJKOAXELSA-N 0 0 334.500 4.322 40 0 EIABRN CCOc1cccc(CO)c1OCc1ccc(Cl)c(Cl)c1 ZINC000036986168 564028307 /nfs/dbraw/zinc/02/83/07/564028307.db2.gz WGYUBGGPLSFURO-UHFFFAOYSA-N 0 0 327.207 4.463 40 0 EIABRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000005687681 564032958 /nfs/dbraw/zinc/03/29/58/564032958.db2.gz HYEADGFZORNDRY-NSHDSACASA-N 0 0 348.855 4.174 40 0 EIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 ZINC000219602030 564035042 /nfs/dbraw/zinc/03/50/42/564035042.db2.gz QOTSWBSSEQFNCL-GOSISDBHSA-N 0 0 329.827 4.477 40 0 EIABRN COc1ccc(C(=O)CN(c2ccc(C)cc2)C2=NCCCC2)cc1 ZINC000008411727 564035664 /nfs/dbraw/zinc/03/56/64/564035664.db2.gz VXSOZLCDLHEGFP-UHFFFAOYSA-N 0 0 336.435 4.275 40 0 EIABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2c[nH]c3ccccc32)S1 ZINC000222585977 564037051 /nfs/dbraw/zinc/03/70/51/564037051.db2.gz WAAYIKXBXNEMJD-PJSAGSTRSA-N 0 0 334.448 4.152 40 0 EIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCCc2ccccc21 ZINC000222595171 564037082 /nfs/dbraw/zinc/03/70/82/564037082.db2.gz XZJPCAZGXLABPQ-INIZCTEOSA-N 0 0 335.447 4.312 40 0 EIABRN COc1cc(CNC(=O)Nc2ccc(Cl)cc2)ccc1OC(C)C ZINC000222633445 564037234 /nfs/dbraw/zinc/03/72/34/564037234.db2.gz INKZIBJVPJVOHF-UHFFFAOYSA-N 0 0 348.830 4.458 40 0 EIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(C(C)C)c3)N21 ZINC000222672587 564037441 /nfs/dbraw/zinc/03/74/41/564037441.db2.gz PUBOYEXAIIQHAV-RYQLBKOJSA-N 0 0 340.496 4.443 40 0 EIABRN CSc1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000222696214 564037487 /nfs/dbraw/zinc/03/74/87/564037487.db2.gz PPQDJYWNQPYQIM-UHFFFAOYSA-N 0 0 327.449 4.305 40 0 EIABRN Cc1cc(O[C@H](C)C(=O)NCCCc2ccccc2)ccc1Cl ZINC000222850597 564038057 /nfs/dbraw/zinc/03/80/57/564038057.db2.gz DTOOWQUTVANSKN-OAHLLOKOSA-N 0 0 331.843 4.165 40 0 EIABRN CCc1ccccc1O[C@@H](C)C(=O)NCc1cccc2ccccc21 ZINC000222871530 564038181 /nfs/dbraw/zinc/03/81/81/564038181.db2.gz LTHXEOCFPSJJJW-INIZCTEOSA-N 0 0 333.431 4.486 40 0 EIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1cccc2ccccc21 ZINC000222873280 564038199 /nfs/dbraw/zinc/03/81/99/564038199.db2.gz YVUCNEMNLJPEQO-OAQYLSRUSA-N 0 0 349.430 4.322 40 0 EIABRN Cc1ccc(CC(=O)NCCSCc2ccccc2F)c(C)c1 ZINC000222891385 564038278 /nfs/dbraw/zinc/03/82/78/564038278.db2.gz SSNSHIBNMRIHDX-UHFFFAOYSA-N 0 0 331.456 4.035 40 0 EIABRN CCc1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC000222893675 564038283 /nfs/dbraw/zinc/03/82/83/564038283.db2.gz OSVNHENSFXAEOU-UHFFFAOYSA-N 0 0 341.432 4.212 40 0 EIABRN COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000222903050 564038327 /nfs/dbraw/zinc/03/83/27/564038327.db2.gz RUPCMOXWLNTRFG-FIFPYPGSSA-N 0 0 335.447 4.465 40 0 EIABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 ZINC000222907412 564038387 /nfs/dbraw/zinc/03/83/87/564038387.db2.gz VOONRDYZKQSWIK-QZTJIDSGSA-N 0 0 342.512 4.093 40 0 EIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(C)ccc1OC ZINC000222949254 564038508 /nfs/dbraw/zinc/03/85/08/564038508.db2.gz YVSHILHYHQLNTO-KRWDZBQOSA-N 0 0 327.424 4.417 40 0 EIABRN Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000222956798 564038535 /nfs/dbraw/zinc/03/85/35/564038535.db2.gz YHWWTHFNUDIYFS-KRWDZBQOSA-N 0 0 337.463 4.438 40 0 EIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C(C)C ZINC000222973684 564038624 /nfs/dbraw/zinc/03/86/24/564038624.db2.gz PICSFONUXFEZBC-MSOLQXFVSA-N 0 0 342.512 4.237 40 0 EIABRN Cc1ccc(CCC(=O)Nc2nnc(SC(C)C)s2)cc1C ZINC000222984506 564038693 /nfs/dbraw/zinc/03/86/93/564038693.db2.gz JRZFDXTYLFJJCB-UHFFFAOYSA-N 0 0 335.498 4.227 40 0 EIABRN COc1ccc2nc(C)c(C(=O)Nc3ccccc3Cl)cc2c1 ZINC000025765224 564038797 /nfs/dbraw/zinc/03/87/97/564038797.db2.gz GKQUVRVLLABFIC-UHFFFAOYSA-N 0 0 326.783 4.458 40 0 EIABRN COc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1Cl ZINC000223072745 564038848 /nfs/dbraw/zinc/03/88/48/564038848.db2.gz ZYQZFYXBVUTAMW-UHFFFAOYSA-N 0 0 335.856 4.179 40 0 EIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 ZINC000223080654 564038877 /nfs/dbraw/zinc/03/88/77/564038877.db2.gz QDXVBYUQFWHOJJ-ROUUACIJSA-N 0 0 341.480 4.288 40 0 EIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(OC)c1 ZINC000223084546 564038917 /nfs/dbraw/zinc/03/89/17/564038917.db2.gz XOHFUBCVWKSYSN-HXUWFJFHSA-N 0 0 339.435 4.370 40 0 EIABRN CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(C)c(C)c2)c1 ZINC000223096741 564038938 /nfs/dbraw/zinc/03/89/38/564038938.db2.gz NXEYHADXJLLXKN-UHFFFAOYSA-N 0 0 339.435 4.360 40 0 EIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCCc2ccccc21 ZINC000223160887 564039125 /nfs/dbraw/zinc/03/91/25/564039125.db2.gz BDMUAVSDDKPPSE-INIZCTEOSA-N 0 0 335.447 4.312 40 0 EIABRN Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1Cl ZINC000223206551 564039203 /nfs/dbraw/zinc/03/92/03/564039203.db2.gz PTQAZNZELCXOOS-CQSZACIVSA-N 0 0 343.854 4.393 40 0 EIABRN CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000223217962 564039226 /nfs/dbraw/zinc/03/92/26/564039226.db2.gz VQIFNSJACZBEAO-HZPDHXFCSA-N 0 0 337.463 4.382 40 0 EIABRN Cc1cccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)c1 ZINC000223269058 564039489 /nfs/dbraw/zinc/03/94/89/564039489.db2.gz QTUWKECDVJXSMQ-UHFFFAOYSA-N 0 0 337.463 4.002 40 0 EIABRN CC(C)(C)c1ccc(OCC(=O)NCCSC2CCCC2)cc1 ZINC000223321815 564039542 /nfs/dbraw/zinc/03/95/42/564039542.db2.gz QCLGGBWRDYKYAI-UHFFFAOYSA-N 0 0 335.513 4.155 40 0 EIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCc2ccco2)c1 ZINC000223308480 564039547 /nfs/dbraw/zinc/03/95/47/564039547.db2.gz PSYZFRMESSIDMG-MRXNPFEDSA-N 0 0 329.440 4.228 40 0 EIABRN O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccccc1Cl ZINC000223385715 564039713 /nfs/dbraw/zinc/03/97/13/564039713.db2.gz ZFYLINQGNCSJTM-JXMROGBWSA-N 0 0 336.218 4.202 40 0 EIABRN CC(C)(C)c1ccc(/C=C/C(=O)NCCOc2ccc(F)cc2)cc1 ZINC000223385184 564039719 /nfs/dbraw/zinc/03/97/19/564039719.db2.gz 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/nfs/dbraw/zinc/01/53/01/564015301.db2.gz BPDMPEYDSVWSLR-UHFFFAOYSA-N 0 0 343.224 4.351 40 0 EIABRN COc1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1F ZINC000007360650 564015487 /nfs/dbraw/zinc/01/54/87/564015487.db2.gz LTPJABSJBKDVHS-UHFFFAOYSA-N 0 0 337.416 4.067 40 0 EIABRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 ZINC000007360515 564015489 /nfs/dbraw/zinc/01/54/89/564015489.db2.gz ZQBXVSSLMJJBJV-UHFFFAOYSA-N 0 0 349.452 4.018 40 0 EIABRN Cc1cc(NC(=S)NCc2ccccc2)ccc1Br ZINC000007528503 564015621 /nfs/dbraw/zinc/01/56/21/564015621.db2.gz OXKBNBITONZUGF-UHFFFAOYSA-N 0 0 335.270 4.244 40 0 EIABRN CCCc1n[nH]c(=S)n1NCc1c(OCC)ccc2ccccc21 ZINC000007601373 564015685 /nfs/dbraw/zinc/01/56/85/564015685.db2.gz MTGMRFTZCSFVAA-UHFFFAOYSA-N 0 0 342.468 4.189 40 0 EIABRN CCOc1cc(/C=C/C(=O)Nc2cccc(Cl)c2)ccc1OC ZINC000007652558 564015770 /nfs/dbraw/zinc/01/57/70/564015770.db2.gz WROOUXDMIWTFKG-CSKARUKUSA-N 0 0 331.799 4.399 40 0 EIABRN O=c1c2ccccc2c(-c2ccccc2)nn1Cc1cccc(F)c1 ZINC000008040488 564015874 /nfs/dbraw/zinc/01/58/74/564015874.db2.gz CJWKDBTVJNEKTG-UHFFFAOYSA-N 0 0 330.362 4.251 40 0 EIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 ZINC000008215037 564015982 /nfs/dbraw/zinc/01/59/82/564015982.db2.gz UZGAOPMZEKTHOF-CQSZACIVSA-N 0 0 343.448 4.124 40 0 EIABRN Cc1cccc(C)c1OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000008320991 564016109 /nfs/dbraw/zinc/01/61/09/564016109.db2.gz MBQLWEVSFLMNJZ-UHFFFAOYSA-N 0 0 337.463 4.164 40 0 EIABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1C ZINC000008499990 564016306 /nfs/dbraw/zinc/01/63/06/564016306.db2.gz WXZZZIWTEPPRMT-HNNXBMFYSA-N 0 0 333.815 4.453 40 0 EIABRN CC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1C ZINC000009064182 564016676 /nfs/dbraw/zinc/01/66/76/564016676.db2.gz PEXYZYWUVHFXLJ-UHFFFAOYSA-N 0 0 341.461 4.105 40 0 EIABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2cccc(C)c2)c1 ZINC000009141940 564016829 /nfs/dbraw/zinc/01/68/29/564016829.db2.gz IIRIIFFHDQLUIL-UHFFFAOYSA-N 0 0 346.814 4.014 40 0 EIABRN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000009141866 564016832 /nfs/dbraw/zinc/01/68/32/564016832.db2.gz LYSSHINGUQJJAS-UHFFFAOYSA-N 0 0 340.423 4.322 40 0 EIABRN Cc1ccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000010110531 564017065 /nfs/dbraw/zinc/01/70/65/564017065.db2.gz RDMZMTGNLFCPCM-UHFFFAOYSA-N 0 0 339.460 4.059 40 0 EIABRN COc1cccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 ZINC000170569369 564017283 /nfs/dbraw/zinc/01/72/83/564017283.db2.gz ATZWVOYRVZWEDT-UHFFFAOYSA-N 0 0 348.406 4.098 40 0 EIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000011637000 564017776 /nfs/dbraw/zinc/01/77/76/564017776.db2.gz RXXHOXFLBWWGJQ-MRXNPFEDSA-N 0 0 349.814 4.153 40 0 EIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C ZINC000113955879 564019830 /nfs/dbraw/zinc/01/98/30/564019830.db2.gz WTELIWMTFFEXOH-CQSZACIVSA-N 0 0 329.893 4.145 40 0 EIABRN CCOc1ccc2[nH]c(=O)c(CNc3cnc4ccccc4c3)cc2c1 ZINC000013561516 564020235 /nfs/dbraw/zinc/02/02/35/564020235.db2.gz BCUQGIBZTKHXFL-UHFFFAOYSA-N 0 0 345.402 4.087 40 0 EIABRN CCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000013608570 564020496 /nfs/dbraw/zinc/02/04/96/564020496.db2.gz HXDYCAPPCZSTGL-UHFFFAOYSA-N 0 0 344.842 4.051 40 0 EIABRN COc1ccc(-n2nc(C)c3c2C[C@H](c2cccc(C)c2)CC3=O)cc1 ZINC000014164239 564021534 /nfs/dbraw/zinc/02/15/34/564021534.db2.gz KWUFRIVNBMVZLV-KRWDZBQOSA-N 0 0 346.430 4.410 40 0 EIABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccccc1 ZINC000014258114 564021823 /nfs/dbraw/zinc/02/18/23/564021823.db2.gz KSYSADKKTIGHIO-UHFFFAOYSA-N 0 0 346.365 4.120 40 0 EIABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(C)(C)C ZINC000014258104 564021839 /nfs/dbraw/zinc/02/18/39/564021839.db2.gz VUQRKJTZINYIQX-UHFFFAOYSA-N 0 0 342.830 4.367 40 0 EIABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 ZINC000014268940 564021935 /nfs/dbraw/zinc/02/19/35/564021935.db2.gz PMJJWEXWTXRQBK-KRWDZBQOSA-N 0 0 338.451 4.391 40 0 EIABRN COc1ccc(CN(C)C(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000014399136 564022355 /nfs/dbraw/zinc/02/23/55/564022355.db2.gz KRTVDJFKTMAXFP-UHFFFAOYSA-N 0 0 347.842 4.166 40 0 EIABRN O=C(NCCSC1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000014400104 564022415 /nfs/dbraw/zinc/02/24/15/564022415.db2.gz VBCLYTNSMACVOM-UHFFFAOYSA-N 0 0 346.540 4.473 40 0 EIABRN COc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000014665215 564023685 /nfs/dbraw/zinc/02/36/85/564023685.db2.gz CKBSWSOPVLTABP-AWEZNQCLSA-N 0 0 327.424 4.399 40 0 EIABRN Cc1ccc(SCCNC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000020238442 564024095 /nfs/dbraw/zinc/02/40/95/564024095.db2.gz FTYGWORSEVBQQI-HNNXBMFYSA-N 0 0 331.506 4.384 40 0 EIABRN COc1ccccc1N1C(=O)/C(=C\c2ccc(C)s2)SC1=S ZINC000047080726 564024718 /nfs/dbraw/zinc/02/47/18/564024718.db2.gz URNPDKVRLNJCGB-NTEUORMPSA-N 0 0 347.486 4.471 40 0 EIABRN CCCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000119171794 564025083 /nfs/dbraw/zinc/02/50/83/564025083.db2.gz CKQFHGRKOWRKTJ-UHFFFAOYSA-N 0 0 330.844 4.485 40 0 EIABRN COc1ccc2c(c1/C=C/C(C)(C)O)O[C@H](c1ccccc1)CC2=O ZINC000049180976 564032668 /nfs/dbraw/zinc/03/26/68/564032668.db2.gz DSOKHRJRTZPRBU-CVTTXWKISA-N 0 0 338.403 4.186 40 0 biogenic,in-vitro EIABRN CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=N)cc1 ZINC000006957132 564033881 /nfs/dbraw/zinc/03/38/81/564033881.db2.gz FNDAXEUHSSQFBB-UHFFFAOYSA-N 0 0 326.783 4.380 40 0 biogenic,in-vitro EIABRN CC(C)CC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022197104 564034249 /nfs/dbraw/zinc/03/42/49/564034249.db2.gz ALBBNSDQHWVWSD-UHFFFAOYSA-N 0 0 336.229 4.371 40 0 EIABRN C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1 ZINC000022108652 564034261 /nfs/dbraw/zinc/03/42/61/564034261.db2.gz DNNVRAXONCIMGA-HNNXBMFYSA-N 0 0 339.410 4.471 40 0 EIABRN COc1ccc(CN(C)C(=O)c2ccccc2SC(C)C)cc1 ZINC000219652775 564035184 /nfs/dbraw/zinc/03/51/84/564035184.db2.gz IZHYZXTXDGSFHE-UHFFFAOYSA-N 0 0 329.465 4.468 40 0 EIABRN CC(=O)c1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 ZINC000219856441 564035509 /nfs/dbraw/zinc/03/55/09/564035509.db2.gz HSARMPPIKQZWJK-UHFFFAOYSA-N 0 0 336.435 4.053 40 0 EIABRN O=C(CCc1ccccc1Cl)NCCSC1CCCCC1 ZINC000220012417 564035740 /nfs/dbraw/zinc/03/57/40/564035740.db2.gz PGAQOTFAJNXACB-UHFFFAOYSA-N 0 0 325.905 4.455 40 0 EIABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(C2CC2)nc1 ZINC000222597255 564037099 /nfs/dbraw/zinc/03/70/99/564037099.db2.gz GIFSWQFFIGYUOA-UHFFFAOYSA-N 0 0 331.375 4.399 40 0 EIABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C ZINC000222609515 564037135 /nfs/dbraw/zinc/03/71/35/564037135.db2.gz QCVMBXZKBLUHAY-DOPJRALCSA-N 0 0 340.496 4.109 40 0 EIABRN CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000222634596 564037261 /nfs/dbraw/zinc/03/72/61/564037261.db2.gz COWVWQCTZGMOQI-UHFFFAOYSA-N 0 0 332.787 4.469 40 0 EIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(F)cc3)N21 ZINC000222642549 564037303 /nfs/dbraw/zinc/03/73/03/564037303.db2.gz UTUDEFWKRHLGRB-HYVNUMGLSA-N 0 0 327.428 4.200 40 0 EIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)[nH]c3C)N21 ZINC000222671507 564037398 /nfs/dbraw/zinc/03/73/98/564037398.db2.gz SGKNYOTXVMTUPJ-KBRIMQKVSA-N 0 0 326.469 4.006 40 0 EIABRN CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc(OC)cc1 ZINC000222709892 564037535 /nfs/dbraw/zinc/03/75/35/564037535.db2.gz FFCPEKMBKKYRRA-SFHVURJKSA-N 0 0 347.455 4.335 40 0 EIABRN Cc1cccc(CSCC(=O)NCCCc2ccc(F)cc2)c1 ZINC000222741405 564037623 /nfs/dbraw/zinc/03/76/23/564037623.db2.gz YQIBQOWERDVORB-UHFFFAOYSA-N 0 0 331.456 4.116 40 0 EIABRN COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(C)cc2)cc1 ZINC000222761402 564037707 /nfs/dbraw/zinc/03/77/07/564037707.db2.gz GFFMJYQPOUNQBU-HXUWFJFHSA-N 0 0 341.451 4.286 40 0 EIABRN COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccccc2F)cc1 ZINC000222776820 564037768 /nfs/dbraw/zinc/03/77/68/564037768.db2.gz QSOFYEJDPIEBDX-GOSISDBHSA-N 0 0 345.414 4.117 40 0 EIABRN Cc1ccc(OCC(=O)NCCCc2ccccc2Cl)c(C)c1 ZINC000222825980 564038007 /nfs/dbraw/zinc/03/80/07/564038007.db2.gz AVTCUYFHEGHBJF-UHFFFAOYSA-N 0 0 331.843 4.085 40 0 EIABRN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000222863464 564038135 /nfs/dbraw/zinc/03/81/35/564038135.db2.gz OBLOIEJUFGRTNH-QZTJIDSGSA-N 0 0 339.435 4.263 40 0 EIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000222868618 564038201 /nfs/dbraw/zinc/03/82/01/564038201.db2.gz VIVVASBDNMDMCC-DLBZAZTESA-N 0 0 342.512 4.021 40 0 EIABRN CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccco2)cc1 ZINC000222879372 564038247 /nfs/dbraw/zinc/03/82/47/564038247.db2.gz GUIAXLWPBFKRHJ-GOSISDBHSA-N 0 0 347.480 4.049 40 0 EIABRN CCCOc1ccccc1CCCNC(=O)c1ccc(OC)c(C)c1 ZINC000222918129 564038399 /nfs/dbraw/zinc/03/83/99/564038399.db2.gz COFBGPWCPFPCNQ-UHFFFAOYSA-N 0 0 341.451 4.155 40 0 EIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1sccc1C ZINC000222948501 564038459 /nfs/dbraw/zinc/03/84/59/564038459.db2.gz CKFBTKVNCPWKNV-HUUCEWRRSA-N 0 0 331.510 4.224 40 0 EIABRN Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000222950707 564038513 /nfs/dbraw/zinc/03/85/13/564038513.db2.gz NFOCNPRWBUOJCC-MRXNPFEDSA-N 0 0 343.492 4.054 40 0 EIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(C)ccc1OC ZINC000222949202 564038514 /nfs/dbraw/zinc/03/85/14/564038514.db2.gz YVSHILHYHQLNTO-QGZVFWFLSA-N 0 0 327.424 4.417 40 0 EIABRN CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2CC)cc1 ZINC000222999002 564038714 /nfs/dbraw/zinc/03/87/14/564038714.db2.gz AMITYUKNNJQIJU-JKSUJKDBSA-N 0 0 325.452 4.456 40 0 EIABRN CC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223076077 564038886 /nfs/dbraw/zinc/03/88/86/564038886.db2.gz JZQHFUGBTXNLJQ-FQEVSTJZSA-N 0 0 343.492 4.136 40 0 EIABRN CCCCc1ccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000223099271 564038932 /nfs/dbraw/zinc/03/89/32/564038932.db2.gz BGRBIZKSXYYGNE-UHFFFAOYSA-N 0 0 347.480 4.455 40 0 EIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)Cc1ccccc1 ZINC000223130137 564038990 /nfs/dbraw/zinc/03/89/90/564038990.db2.gz UTDHDTZGYOWKCL-GOSISDBHSA-N 0 0 329.415 4.121 40 0 EIABRN Cc1ccc(CCC(=O)Nc2nnc(SCC(C)C)s2)cc1C ZINC000223142083 564039064 /nfs/dbraw/zinc/03/90/64/564039064.db2.gz NJVFRSQSDFSGEX-UHFFFAOYSA-N 0 0 349.525 4.474 40 0 EIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCCc2ccccc21 ZINC000223160827 564039121 /nfs/dbraw/zinc/03/91/21/564039121.db2.gz 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GBHZTUIEWIVNSX-UHFFFAOYSA-N 0 0 339.435 4.081 40 0 EIABRN Cc1ccc(-c2nn3c(nnc3-c3cc(F)ccc3F)s2)cc1 ZINC000015083069 563966546 /nfs/dbraw/zinc/96/65/46/563966546.db2.gz LRKRORFFDIQUNL-UHFFFAOYSA-N 0 0 328.347 4.106 40 0 EIABRN CCc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000075244851 563967142 /nfs/dbraw/zinc/96/71/42/563967142.db2.gz ZJMVMHWZNNDUCU-UHFFFAOYSA-N 0 0 337.463 4.109 40 0 EIABRN Cc1ccccc1OCCn1c2ccccc2nc1CN1CCCC1 ZINC000076555487 563968092 /nfs/dbraw/zinc/96/80/92/563968092.db2.gz WPVQQIBPNBTELJ-UHFFFAOYSA-N 0 0 335.451 4.020 40 0 EIABRN COc1ccc(S[C@H](C)C(=O)Nc2c(C)cccc2C)cc1OC ZINC000077495567 563970025 /nfs/dbraw/zinc/97/00/25/563970025.db2.gz XCLQUOALJNMJOU-CQSZACIVSA-N 0 0 345.464 4.440 40 0 EIABRN Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(Cl)cc1 ZINC000082307356 563972931 /nfs/dbraw/zinc/97/29/31/563972931.db2.gz PBANFIZQLHSZOK-UHFFFAOYSA-N 0 0 337.810 4.035 40 0 EIABRN CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@H]2C(=O)CCCC[C@@H]21 ZINC000095951400 563977816 /nfs/dbraw/zinc/97/78/16/563977816.db2.gz HGELFJCNFGEPSQ-SOLBZPMBSA-N 0 0 329.440 4.149 40 0 biogenic EIABRN CC(C)c1nc(-c2cc(C(=O)N3CCCC3)c3ccccn23)cs1 ZINC000096154834 563979752 /nfs/dbraw/zinc/97/97/52/563979752.db2.gz KMJSWRDXWHDDCA-UHFFFAOYSA-N 0 0 339.464 4.422 40 0 EIABRN O=C(c1ccco1)N1CC[C@H](c2ccn(CC3CC3)n2)c2ccccc21 ZINC000096260804 563980641 /nfs/dbraw/zinc/98/06/41/563980641.db2.gz KTLATBKNBUIKDN-INIZCTEOSA-N 0 0 347.418 4.069 40 0 EIABRN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000096586395 563980874 /nfs/dbraw/zinc/98/08/74/563980874.db2.gz BULBJJSFZHQILL-OAHLLOKOSA-N 0 0 339.435 4.370 40 0 EIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000096659315 563980952 /nfs/dbraw/zinc/98/09/52/563980952.db2.gz VNHOCWVINZUEMO-UHFFFAOYSA-N 0 0 333.453 4.236 40 0 EIABRN COc1cc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C ZINC000096659335 563980964 /nfs/dbraw/zinc/98/09/64/563980964.db2.gz QWGBRNKDQUAMTK-UHFFFAOYSA-N 0 0 333.453 4.038 40 0 EIABRN CCN(CC)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072212873 563984535 /nfs/dbraw/zinc/98/45/35/563984535.db2.gz NPYHWLHEUJCUNF-LJQANCHMSA-N 0 0 337.467 4.295 40 0 EIABRN CC(C)CNc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072213294 563984568 /nfs/dbraw/zinc/98/45/68/563984568.db2.gz QRCCWEBLMBOBKS-UHFFFAOYSA-N 0 0 349.475 4.027 40 0 EIABRN O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213774 563984619 /nfs/dbraw/zinc/98/46/19/563984619.db2.gz JORONXIFOFHBDU-SFHVURJKSA-N 0 0 337.423 4.130 40 0 EIABRN Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072218897 563985665 /nfs/dbraw/zinc/98/56/65/563985665.db2.gz UUHMASQEIDRTBD-HXUWFJFHSA-N 0 0 349.478 4.358 40 0 EIABRN CCOC(=O)c1oc2ccc(Br)c(OCC)c2c1C ZINC000085395624 563986285 /nfs/dbraw/zinc/98/62/85/563986285.db2.gz RJWIAKGVQSVDEY-UHFFFAOYSA-N 0 0 327.174 4.079 40 0 EIABRN CC[C@@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000113948909 563990403 /nfs/dbraw/zinc/99/04/03/563990403.db2.gz OMSGYUSDYSOHCP-OAHLLOKOSA-N 0 0 329.465 4.386 40 0 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327.815 4.246 40 0 EIABRN CCSc1nnc(COc2cccc(C)c2)n1Cc1ccccc1 ZINC000000419612 563997366 /nfs/dbraw/zinc/99/73/66/563997366.db2.gz WIWMRAPSUPOIEB-UHFFFAOYSA-N 0 0 339.464 4.326 40 0 EIABRN COc1ccc(C(=O)CSc2nnc(-c3ccccc3C)o2)cc1 ZINC000000422790 563997430 /nfs/dbraw/zinc/99/74/30/563997430.db2.gz QABHBUAGFPFRNQ-UHFFFAOYSA-N 0 0 340.404 4.029 40 0 EIABRN CC1=C[C@@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@@H]1[C@@H]2C ZINC000000518318 563997528 /nfs/dbraw/zinc/99/75/28/563997528.db2.gz KPUIORAMYKZOGW-DFMFOVPYSA-N 0 0 329.440 4.489 40 0 EIABRN Cc1cccn2c1nc(-c1ccc(F)cc1)c2NC[C@@H]1CCCO1 ZINC000000904163 564001228 /nfs/dbraw/zinc/00/12/28/564001228.db2.gz PWHUGWXMODROND-INIZCTEOSA-N 0 0 325.387 4.040 40 0 EIABRN CC(C)=C[C@H]1[C@H](C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C ZINC000001649321 564002025 /nfs/dbraw/zinc/00/20/25/564002025.db2.gz KPMWGGRSOPMANK-BLLLJJGKSA-N 0 0 336.815 4.350 40 0 in-vitro EIABRN CC[C@H](C)NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000001324273 564003153 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40 0 EIABRN CCCCOC(=O)c1ccc2nc(NC(=O)C(C)(C)C)sc2c1 ZINC000008903185 564016523 /nfs/dbraw/zinc/01/65/23/564016523.db2.gz YRWYOSURHFTMNS-UHFFFAOYSA-N 0 0 334.441 4.238 40 0 EIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000009140461 564016735 /nfs/dbraw/zinc/01/67/35/564016735.db2.gz UDSVASHBTCVHGT-UHFFFAOYSA-N 0 0 336.819 4.168 40 0 EIABRN CN(CCNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000010113701 564017075 /nfs/dbraw/zinc/01/70/75/564017075.db2.gz VJOYTTXZPNKNPX-UHFFFAOYSA-N 0 0 330.431 4.220 40 0 EIABRN Cc1cccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 ZINC000170583867 564017267 /nfs/dbraw/zinc/01/72/67/564017267.db2.gz BAXFDKNTHAAHMJ-UHFFFAOYSA-N 0 0 332.407 4.398 40 0 EIABRN COC(=O)c1cccc(NC(=O)CCc2ccc(C(C)C)cc2)c1 ZINC000010338612 564017310 /nfs/dbraw/zinc/01/73/10/564017310.db2.gz JDKHXLYHDAYKLL-UHFFFAOYSA-N 0 0 325.408 4.168 40 0 EIABRN COc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1 ZINC000010041308 564018286 /nfs/dbraw/zinc/01/82/86/564018286.db2.gz NLNCAWMGVXXNQW-UHFFFAOYSA-N 0 0 335.856 4.012 40 0 EIABRN Cc1ccc(C)c(N2C(=S)N=NC2COc2ccccc2C)c1 ZINC000013535152 564020101 /nfs/dbraw/zinc/02/01/01/564020101.db2.gz NOKUBEIYIOEQLV-UHFFFAOYSA-N 0 0 325.437 4.060 40 0 EIABRN CCc1cccc(C)c1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000014002118 564021280 /nfs/dbraw/zinc/02/12/80/564021280.db2.gz CXQMYBWSNMGXFW-UHFFFAOYSA-N 0 0 346.883 4.267 40 0 EIABRN Cc1ccc(OCCCC(=O)NCCSc2ccc(C)cc2)cc1 ZINC000014396235 564022250 /nfs/dbraw/zinc/02/22/50/564022250.db2.gz XGGYAUAQMKNKCD-UHFFFAOYSA-N 0 0 343.492 4.371 40 0 EIABRN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)cc1 ZINC000014553018 564023534 /nfs/dbraw/zinc/02/35/34/564023534.db2.gz SGUVRDFQBDTIST-GFCCVEGCSA-N 0 0 334.213 4.164 40 0 EIABRN COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1Cl ZINC000015393491 564024171 /nfs/dbraw/zinc/02/41/71/564024171.db2.gz YLXNAKHOIBNRGX-ZDUSSCGKSA-N 0 0 333.815 4.371 40 0 EIABRN Fc1ccc2[nH]cc(CCNC(=S)Nc3ccccc3Cl)c2c1 ZINC000017072319 564024890 /nfs/dbraw/zinc/02/48/90/564024890.db2.gz HCWAQCBOGGWHGN-UHFFFAOYSA-N 0 0 347.846 4.490 40 0 EIABRN COc1ccc(C(=O)NCC23C[C@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1 ZINC000017968933 564025090 /nfs/dbraw/zinc/02/50/90/564025090.db2.gz SSKGQYPTOKCOFG-BAUKFBFWSA-N 0 0 333.859 4.003 40 0 EIABRN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O ZINC000021347487 564033807 /nfs/dbraw/zinc/03/38/07/564033807.db2.gz JDUMZNFRRKXVTK-KRWDZBQOSA-N 0 0 336.435 4.110 40 0 EIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1 ZINC000219603896 564035087 /nfs/dbraw/zinc/03/50/87/564035087.db2.gz VXBPIZXGSWWCRV-GOSISDBHSA-N 0 0 349.833 4.386 40 0 EIABRN Cc1ccc(N2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 ZINC000219859318 564035522 /nfs/dbraw/zinc/03/55/22/564035522.db2.gz WVQAKRBBWYLSLN-UHFFFAOYSA-N 0 0 328.500 4.441 40 0 EIABRN Cc1cccc(-c2noc(CN(C)C(=O)c3cc4ccccc4o3)n2)c1 ZINC000219950563 564035653 /nfs/dbraw/zinc/03/56/53/564035653.db2.gz RWLOSHKGGXVYOR-UHFFFAOYSA-N 0 0 347.374 4.063 40 0 EIABRN O=C(CN(c1ccccc1)C1=NCCCS1)c1ccc(F)cc1 ZINC000008436117 564035721 /nfs/dbraw/zinc/03/57/21/564035721.db2.gz DQAJPQAEDTZRTC-UHFFFAOYSA-N 0 0 328.412 4.008 40 0 EIABRN Cc1ccc(C(=O)[C@@H](C)n2nc(-c3ccncc3)oc2=S)cc1 ZINC000008550016 564035793 /nfs/dbraw/zinc/03/57/93/564035793.db2.gz WLWILLBHYWBMRA-GFCCVEGCSA-N 0 0 325.393 4.020 40 0 EIABRN CCn1c(C)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1C ZINC000408960951 564036199 /nfs/dbraw/zinc/03/61/99/564036199.db2.gz KBVCJKFBJZQMIF-LFIBNONCSA-N 0 0 326.421 4.366 40 0 EIABRN CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(OC)c(C)c1 ZINC000222544703 564036947 /nfs/dbraw/zinc/03/69/47/564036947.db2.gz JGFOZLJPBRWMEF-KRWDZBQOSA-N 0 0 331.843 4.467 40 0 EIABRN CSc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 ZINC000222558384 564036998 /nfs/dbraw/zinc/03/69/98/564036998.db2.gz SCIYBHMHFWTOKF-AFAVFJNCSA-N 0 0 341.505 4.393 40 0 EIABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c(Cl)c2)S1 ZINC000222580769 564037045 /nfs/dbraw/zinc/03/70/45/564037045.db2.gz DEEMIZKCPKMIGA-GTTSAUCSSA-N 0 0 345.855 4.030 40 0 EIABRN Cc1cccc(CCCNC(=O)CSCc2ccccc2F)c1 ZINC000222707122 564037512 /nfs/dbraw/zinc/03/75/12/564037512.db2.gz SVROESBRBVRDPP-UHFFFAOYSA-N 0 0 331.456 4.116 40 0 EIABRN Cc1ccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)cc1 ZINC000222763844 564037701 /nfs/dbraw/zinc/03/77/01/564037701.db2.gz XFZVYCDZNQLJJU-UHFFFAOYSA-N 0 0 325.452 4.246 40 0 EIABRN COc1cccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000222790341 564037836 /nfs/dbraw/zinc/03/78/36/564037836.db2.gz MBEQRPXZJZYALE-OAHLLOKOSA-N 0 0 341.451 4.249 40 0 EIABRN Cc1ccc(OC[C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000222837022 564038069 /nfs/dbraw/zinc/03/80/69/564038069.db2.gz SQADHULYGJOLBO-KRWDZBQOSA-N 0 0 349.430 4.111 40 0 EIABRN COc1ccc(CC(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C ZINC000222905843 564038352 /nfs/dbraw/zinc/03/83/52/564038352.db2.gz YFWDRFRSWFZSSE-QGZVFWFLSA-N 0 0 339.479 4.419 40 0 EIABRN Cc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C ZINC000222948599 564038473 /nfs/dbraw/zinc/03/84/73/564038473.db2.gz XCNYEUKDTQUMHC-QGZVFWFLSA-N 0 0 337.463 4.438 40 0 EIABRN Cc1cc(C)c(S(=O)(=O)Nc2ccc3sncc3c2)c(C)c1 ZINC000222974168 564038599 /nfs/dbraw/zinc/03/85/99/564038599.db2.gz IIKJEPZOZMHDPW-UHFFFAOYSA-N 0 0 332.450 4.022 40 0 EIABRN CC[C@@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)CCCC2 ZINC000223126136 564038964 /nfs/dbraw/zinc/03/89/64/564038964.db2.gz XUPFMQRNJPBUAZ-LJQANCHMSA-N 0 0 341.426 4.351 40 0 EIABRN CCc1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2C)cc1 ZINC000223140253 564039059 /nfs/dbraw/zinc/03/90/59/564039059.db2.gz JVCCUGSCVBJHRB-UHFFFAOYSA-N 0 0 347.418 4.275 40 0 EIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(C)ccc1C ZINC000223154120 564039131 /nfs/dbraw/zinc/03/91/31/564039131.db2.gz KJTYJZRVQAGOIF-GOSISDBHSA-N 0 0 339.435 4.344 40 0 EIABRN CC(C)Oc1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000223201641 564039222 /nfs/dbraw/zinc/03/92/22/564039222.db2.gz OQOHGVASJCSPRB-UHFFFAOYSA-N 0 0 339.435 4.370 40 0 EIABRN CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000223285167 564039516 /nfs/dbraw/zinc/03/95/16/564039516.db2.gz VFNLTXJZGKTUJJ-HNAYVOBHSA-N 0 0 341.451 4.292 40 0 EIABRN Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(F)cc1)CC(C)(C)O2 ZINC000223351203 564039624 /nfs/dbraw/zinc/03/96/24/564039624.db2.gz WUQGTFRNRJCITA-GOSISDBHSA-N 0 0 341.426 4.485 40 0 EIABRN CC(C)(C)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000223372177 564039656 /nfs/dbraw/zinc/03/96/56/564039656.db2.gz YAHSCJRQUJBFDC-UHFFFAOYSA-N 0 0 331.843 4.446 40 0 EIABRN Cc1ccc(CSCC(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000223399067 564039806 /nfs/dbraw/zinc/03/98/06/564039806.db2.gz JRIIAPGXCNXPRG-UHFFFAOYSA-N 0 0 349.883 4.077 40 0 EIABRN Cc1cc(C)cc(CSCC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000223401054 564039822 /nfs/dbraw/zinc/03/98/22/564039822.db2.gz QLCXHJKELWORFD-QGZVFWFLSA-N 0 0 327.493 4.457 40 0 EIABRN Cc1ccccc1OCCNC(=O)CSCc1ccccc1Cl ZINC000223402856 564039840 /nfs/dbraw/zinc/03/98/40/564039840.db2.gz IIAPIPWTSJOYMX-UHFFFAOYSA-N 0 0 349.883 4.077 40 0 EIABRN O=C(CSCc1ccc(Cl)cc1)NCCc1ccc(F)cc1 ZINC000223406275 564039879 /nfs/dbraw/zinc/03/98/79/564039879.db2.gz LHSACDCIMCSLCR-UHFFFAOYSA-N 0 0 337.847 4.071 40 0 EIABRN CSc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cccc1F ZINC000223436280 564040022 /nfs/dbraw/zinc/04/00/22/564040022.db2.gz FLUGGODLBPVDCA-UHFFFAOYSA-N 0 0 349.811 4.141 40 0 EIABRN COc1ccc(/C=C/C(=O)NC(C)(C)CC(C)(C)C)c(OC)c1OC ZINC000223450681 564040056 /nfs/dbraw/zinc/04/00/56/564040056.db2.gz XNCGCBZHUJYUQG-ZRDIBKRKSA-N 0 0 349.471 4.057 40 0 EIABRN Cc1ccc(CC(=O)NCCOc2ccccc2C(C)(C)C)c(C)c1 ZINC000223735156 564040739 /nfs/dbraw/zinc/04/07/39/564040739.db2.gz IAVJUIPUMBBWCT-UHFFFAOYSA-N 0 0 339.479 4.339 40 0 EIABRN Cc1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1C(C)C ZINC000223788702 564040832 /nfs/dbraw/zinc/04/08/32/564040832.db2.gz QAUMVDARPYGCLF-KRWDZBQOSA-N 0 0 341.451 4.081 40 0 EIABRN COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C ZINC000223821764 564040911 /nfs/dbraw/zinc/04/09/11/564040911.db2.gz APSPAMDQOZXOPW-KRWDZBQOSA-N 0 0 339.435 4.344 40 0 EIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1OC ZINC000223946034 564041250 /nfs/dbraw/zinc/04/12/50/564041250.db2.gz MULKFZJAANLVDP-LJQANCHMSA-N 0 0 339.435 4.370 40 0 EIABRN Cc1ccc(C)c(OCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000223977708 564041324 /nfs/dbraw/zinc/04/13/24/564041324.db2.gz HOBFTHVJNRKCNE-JXMROGBWSA-N 0 0 329.827 4.165 40 0 EIABRN Cc1ccc(S[C@@H](C)C(=O)NCCOc2cc(C)ccc2C)cc1 ZINC000223980755 564041336 /nfs/dbraw/zinc/04/13/36/564041336.db2.gz FYMNZZFWHLGLHS-KRWDZBQOSA-N 0 0 343.492 4.288 40 0 EIABRN Cc1ccc(C)c(OCCNC(=O)[C@H](C)SCc2ccccc2)c1 ZINC000223979268 564041339 /nfs/dbraw/zinc/04/13/39/564041339.db2.gz GBGDKPLKCHOYDV-KRWDZBQOSA-N 0 0 343.492 4.120 40 0 EIABRN C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000224065143 564041588 /nfs/dbraw/zinc/04/15/88/564041588.db2.gz OGCYKRVACNUIGS-GFCCVEGCSA-N 0 0 326.783 4.486 40 0 EIABRN C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1 ZINC000224069789 564041613 /nfs/dbraw/zinc/04/16/13/564041613.db2.gz BOQNNWQRQBKCJO-LLVKDONJSA-N 0 0 328.318 4.111 40 0 EIABRN Cc1ccc(OCCNC(=O)[C@H](C)Sc2ccccc2)cc1Cl ZINC000224119633 564041746 /nfs/dbraw/zinc/04/17/46/564041746.db2.gz OMJGBTWDQXUKQF-AWEZNQCLSA-N 0 0 349.883 4.324 40 0 EIABRN Cc1ccc(OCCCC(=O)NCCOc2ccccc2Cl)cc1 ZINC000224143085 564041850 /nfs/dbraw/zinc/04/18/50/564041850.db2.gz NAEHSUOHGXAEFU-UHFFFAOYSA-N 0 0 347.842 4.003 40 0 EIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)[nH]1 ZINC000224154679 564041897 /nfs/dbraw/zinc/04/18/97/564041897.db2.gz XMRKVPDDVUJGLI-RTBURBONSA-N 0 0 348.475 4.204 40 0 EIABRN Cc1ccc(OCCNC(=O)c2ccccc2OC(C)C)cc1Cl ZINC000224171525 564041964 /nfs/dbraw/zinc/04/19/64/564041964.db2.gz PZUYGUHTAYVAPJ-UHFFFAOYSA-N 0 0 347.842 4.244 40 0 EIABRN COc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1C ZINC000224191073 564042047 /nfs/dbraw/zinc/04/20/47/564042047.db2.gz LFIABDIYNCXFKG-UHFFFAOYSA-N 0 0 349.883 4.320 40 0 EIABRN CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 ZINC000224197962 564042073 /nfs/dbraw/zinc/04/20/73/564042073.db2.gz BYGZIJGNDZMDDY-MGPUTAFESA-N 0 0 341.451 4.292 40 0 EIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(Cl)cc1 ZINC000224220731 564042106 /nfs/dbraw/zinc/04/21/06/564042106.db2.gz FSJMFGXAMNJRGV-CQSZACIVSA-N 0 0 343.854 4.303 40 0 EIABRN CCCOc1ccc(C(=O)NCCOc2ccc(CCC)cc2)cc1 ZINC000224272308 564042274 /nfs/dbraw/zinc/04/22/74/564042274.db2.gz YWLNWIFSDKMLAI-UHFFFAOYSA-N 0 0 341.451 4.237 40 0 EIABRN COc1ccc(C(=O)NCC(C)C)cc1CSc1ccccc1 ZINC000224321011 564042378 /nfs/dbraw/zinc/04/23/78/564042378.db2.gz CZPHKMOKQBLESS-UHFFFAOYSA-N 0 0 329.465 4.373 40 0 EIABRN CCNC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 ZINC000224309172 564042383 /nfs/dbraw/zinc/04/23/83/564042383.db2.gz UIJNFPKOHWIYTM-UHFFFAOYSA-N 0 0 335.403 4.177 40 0 EIABRN CCCNC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 ZINC000224332865 564042401 /nfs/dbraw/zinc/04/24/01/564042401.db2.gz JRAZBMLPMFOEDX-UHFFFAOYSA-N 0 0 329.465 4.436 40 0 EIABRN CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccccc1 ZINC000224359112 564042486 /nfs/dbraw/zinc/04/24/86/564042486.db2.gz IROQDHBFWBKXJA-OAHLLOKOSA-N 0 0 327.424 4.193 40 0 EIABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(OC)c(C)c1 ZINC000224387526 564042502 /nfs/dbraw/zinc/04/25/02/564042502.db2.gz DBRDPDMGXWLMDF-QFBILLFUSA-N 0 0 341.451 4.347 40 0 EIABRN CCOc1ccc(C(=O)NC(C)C)cc1COc1cccc(C)c1 ZINC000224380612 564042507 /nfs/dbraw/zinc/04/25/07/564042507.db2.gz APJMIHSURROKET-UHFFFAOYSA-N 0 0 327.424 4.111 40 0 EIABRN CCCCOCc1cc(C(=O)Nc2ccc(F)cc2)ccc1OC ZINC000224436250 564042751 /nfs/dbraw/zinc/04/27/51/564042751.db2.gz LDXGJRJUSXPKDZ-UHFFFAOYSA-N 0 0 331.387 4.403 40 0 EIABRN CCOc1ccc(C(=O)NC)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224517580 564043027 /nfs/dbraw/zinc/04/30/27/564043027.db2.gz ZKAOVAZGQSVGBN-UHFFFAOYSA-N 0 0 341.451 4.321 40 0 EIABRN CCOc1ccc(C(=O)NC)cc1COc1ccccc1C(C)C ZINC000224561796 564043140 /nfs/dbraw/zinc/04/31/40/564043140.db2.gz CEYRMPKWQPKPDT-UHFFFAOYSA-N 0 0 327.424 4.147 40 0 EIABRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000224634324 564043307 /nfs/dbraw/zinc/04/33/07/564043307.db2.gz QINGWVIOCBDTOZ-HOTGVXAUSA-N 0 0 349.430 4.493 40 0 EIABRN CCSc1ccccc1C(=O)NCCOc1ccc(C)c(C)c1 ZINC000224639985 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CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccccc2F)c1 ZINC000223490639 241657150 /nfs/dbraw/zinc/65/71/50/241657150.db2.gz YWNQIMCMIJTJMW-IBGZPJMESA-N 0 0 343.442 4.424 40 0 EIABRN Cc1ccc(C)c(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000224292954 241745825 /nfs/dbraw/zinc/74/58/25/241745825.db2.gz BTSXWYDQHROBPR-OAHLLOKOSA-N 0 0 331.843 4.083 40 0 EIABRN CCOc1ccc(C(=O)NC(C)C)cc1COc1ccccc1C ZINC000224369365 241751549 /nfs/dbraw/zinc/75/15/49/241751549.db2.gz FCMDCKWFPLIQLO-UHFFFAOYSA-N 0 0 327.424 4.111 40 0 EIABRN O=C(CSCc1ccc(Cl)cc1F)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000223662711 241677891 /nfs/dbraw/zinc/67/78/91/241677891.db2.gz TVDNGVGJHVCCBW-RWSFTLGLSA-N 0 0 327.852 4.017 40 0 EIABRN CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 ZINC000224141896 241732121 /nfs/dbraw/zinc/73/21/21/241732121.db2.gz FHFGHDZZXIZHTH-CYBMUJFWSA-N 0 0 347.842 4.456 40 0 EIABRN Cc1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1C ZINC000225111685 241797592 /nfs/dbraw/zinc/79/75/92/241797592.db2.gz KJTXXDUGAQMLAD-UHFFFAOYSA-N 0 0 331.843 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325.836 4.273 40 0 EIABRN Cc1ccc(C)c(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1 ZINC000225792976 242039762 /nfs/dbraw/zinc/03/97/62/242039762.db2.gz LULXUSDIBXNFOC-UHFFFAOYSA-N 0 0 331.419 4.245 40 0 EIABRN CC[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc(OC)c(C)c1 ZINC000225792730 242039818 /nfs/dbraw/zinc/03/98/18/242039818.db2.gz RJXYODJNBSUWFZ-KRWDZBQOSA-N 0 0 347.842 4.303 40 0 EIABRN COc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C(F)(F)F ZINC000225806989 242044737 /nfs/dbraw/zinc/04/47/37/242044737.db2.gz NMCASVLNAOZNPU-BDJLRTHQSA-N 0 0 345.361 4.248 40 0 EIABRN CC[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(OC)c(C)c1 ZINC000225809244 242046274 /nfs/dbraw/zinc/04/62/74/242046274.db2.gz ZWZLSFLBZOHKDV-MRXNPFEDSA-N 0 0 347.842 4.303 40 0 EIABRN S=C(Nc1cccc(Cl)c1)NC1(c2ccncc2)CCCC1 ZINC000225844665 242060030 /nfs/dbraw/zinc/06/00/30/242060030.db2.gz BDFSROOPVVIJGE-UHFFFAOYSA-N 0 0 331.872 4.491 40 0 EIABRN CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C)n1 ZINC000225861607 242064507 /nfs/dbraw/zinc/06/45/07/242064507.db2.gz DGRCZMBDTSKBJW-UHFFFAOYSA-N 0 0 342.414 4.378 40 0 EIABRN Fc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1F ZINC000225860690 242064574 /nfs/dbraw/zinc/06/45/74/242064574.db2.gz VPGGTLRYFZIJKX-UHFFFAOYSA-N 0 0 333.407 4.116 40 0 EIABRN CCCO[C@@](C)(C(=O)Nc1ccc(OC)c2ccccc12)C1CC1 ZINC000225858859 242065091 /nfs/dbraw/zinc/06/50/91/242065091.db2.gz RPKQZTQCQSPVGK-HXUWFJFHSA-N 0 0 327.424 4.382 40 0 EIABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000225862602 242065883 /nfs/dbraw/zinc/06/58/83/242065883.db2.gz PTCMKHLGJHNESW-UHFFFAOYSA-N 0 0 330.815 4.194 40 0 EIABRN CCC1(NC(=S)Nc2cc(C(=O)OC)ccc2Cl)CCCC1 ZINC000225861966 242066459 /nfs/dbraw/zinc/06/64/59/242066459.db2.gz JRCBRIVYXHJJPD-UHFFFAOYSA-N 0 0 340.876 4.136 40 0 EIABRN Cc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)nc1 ZINC000225872410 242068114 /nfs/dbraw/zinc/06/81/14/242068114.db2.gz ILBVWWIUWDVRJN-UHFFFAOYSA-N 0 0 325.481 4.454 40 0 EIABRN Cc1ccnc(NC(=S)NC2(c3ccccc3C)CCCC2)c1 ZINC000225873320 242068487 /nfs/dbraw/zinc/06/84/87/242068487.db2.gz IMUCYFMEHTWACB-UHFFFAOYSA-N 0 0 325.481 4.454 40 0 EIABRN CCc1nc2cc(C(=O)Nc3cc(Cl)ccc3OC)ccc2n1C ZINC000225896912 242073948 /nfs/dbraw/zinc/07/39/48/242073948.db2.gz DLJDGWUCBRVTAB-UHFFFAOYSA-N 0 0 343.814 4.050 40 0 EIABRN CCCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 ZINC000225903338 242074791 /nfs/dbraw/zinc/07/47/91/242074791.db2.gz SFWUKDMGLHULIX-UHFFFAOYSA-N 0 0 330.428 4.166 40 0 EIABRN CCCOc1ncc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C ZINC000225900710 242076072 /nfs/dbraw/zinc/07/60/72/242076072.db2.gz PZJUPKKNCQIMMD-AUUYWEPGSA-N 0 0 334.460 4.103 40 0 EIABRN CCc1cccc(CC)c1NC(=O)c1cc2cccc(C)c2oc1=O ZINC000226035677 242085179 /nfs/dbraw/zinc/08/51/79/242085179.db2.gz NRVPOBAGRRKNMF-UHFFFAOYSA-N 0 0 335.403 4.479 40 0 EIABRN Cc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1 ZINC000225738554 242011898 /nfs/dbraw/zinc/01/18/98/242011898.db2.gz PRBDUQKKSACSEO-INIZCTEOSA-N 0 0 339.508 4.123 40 0 EIABRN Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(C(C)C)cc3)c2c1 ZINC000225754642 242021684 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212157229 /nfs/dbraw/zinc/15/72/29/212157229.db2.gz ACRLKPBDBPFCMD-AWEZNQCLSA-N 0 0 338.357 4.372 40 0 EIABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000020495816 212140390 /nfs/dbraw/zinc/14/03/90/212140390.db2.gz LMWBBNWODSMSBF-LFYBBSHMSA-N 0 0 340.810 4.119 40 0 EIABRN CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 ZINC000020493437 212139631 /nfs/dbraw/zinc/13/96/31/212139631.db2.gz MVLLYXZMPQRZKH-HXUWFJFHSA-N 0 0 341.451 4.176 40 0 EIABRN CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc(OC)cc1 ZINC000020490854 212138723 /nfs/dbraw/zinc/13/87/23/212138723.db2.gz KHJOFFVTMBLWGY-GOSISDBHSA-N 0 0 329.465 4.196 40 0 EIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000020489543 212138562 /nfs/dbraw/zinc/13/85/62/212138562.db2.gz YRIJILJADLJFLG-VQTJNVASSA-N 0 0 341.451 4.429 40 0 EIABRN COc1ccc(OCCCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000020487731 212137822 /nfs/dbraw/zinc/13/78/22/212137822.db2.gz UMJIZKQKDVSIPE-UHFFFAOYSA-N 0 0 347.842 4.166 40 0 EIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1cc(C)ccc1C ZINC000020485671 212137633 /nfs/dbraw/zinc/13/76/33/212137633.db2.gz JRYZVXQUMUBASU-INIZCTEOSA-N 0 0 338.451 4.013 40 0 EIABRN CCOc1ccc([C@H](C)NC(=O)CSCc2ccccc2)cc1 ZINC000020486415 212137476 /nfs/dbraw/zinc/13/74/76/212137476.db2.gz RKWGJSTWCAIPCY-HNNXBMFYSA-N 0 0 329.465 4.196 40 0 EIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000020482989 212136469 /nfs/dbraw/zinc/13/64/69/212136469.db2.gz HBWSKXZAISURLD-LPHOPBHVSA-N 0 0 341.451 4.347 40 0 EIABRN CCOc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000020459580 212133855 /nfs/dbraw/zinc/13/38/55/212133855.db2.gz GBIAOBNNTHLLRS-UHFFFAOYSA-N 0 0 341.451 4.078 40 0 EIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000020450958 212130167 /nfs/dbraw/zinc/13/01/67/212130167.db2.gz DFIGXKLHYYXWTP-SUMWQHHRSA-N 0 0 329.827 4.475 40 0 EIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000020450810 212129992 /nfs/dbraw/zinc/12/99/92/212129992.db2.gz IOPHEHIAQCDCQW-SFHVURJKSA-N 0 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Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 ZINC000021576380 563861084 /nfs/dbraw/zinc/86/10/84/563861084.db2.gz LWKLCBCRWNMAFB-UHFFFAOYSA-N 0 0 342.414 4.142 40 0 EIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1C ZINC000022534604 563863152 /nfs/dbraw/zinc/86/31/52/563863152.db2.gz RLOZFPSFIYQLBZ-MRXNPFEDSA-N 0 0 327.424 4.497 40 0 EIABRN O=C(NCc1ccccn1)c1ccc(CSCc2ccccc2)cc1 ZINC000024605946 563873223 /nfs/dbraw/zinc/87/32/23/563873223.db2.gz HZXIWCGIPFSCPT-UHFFFAOYSA-N 0 0 348.471 4.445 40 0 EIABRN O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 ZINC000024613781 563873477 /nfs/dbraw/zinc/87/34/77/563873477.db2.gz DNXXIPJFVYAQKH-UHFFFAOYSA-N 0 0 334.350 4.330 40 0 EIABRN COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccccc2Cl)c1 ZINC000026392116 563891555 /nfs/dbraw/zinc/89/15/55/563891555.db2.gz HAHLXUPYLRKAPD-CYBMUJFWSA-N 0 0 347.842 4.167 40 0 EIABRN COc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000030753289 563910532 /nfs/dbraw/zinc/91/05/32/563910532.db2.gz GXBMCRDFDOMHGH-JTQLQIEISA-N 0 0 340.206 4.408 40 0 EIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(C)cc1 ZINC000030756506 563910592 /nfs/dbraw/zinc/91/05/92/563910592.db2.gz LCYTVZVCAFXQJO-GOSISDBHSA-N 0 0 331.843 4.464 40 0 EIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC)cc1OC ZINC000030853826 563911091 /nfs/dbraw/zinc/91/10/91/563911091.db2.gz AFLMMZFENAMOCA-MRXNPFEDSA-N 0 0 349.814 4.153 40 0 EIABRN CCc1ccccc1O[C@H](C)C(=O)NCCSc1ccc(C)cc1 ZINC000030859742 563911221 /nfs/dbraw/zinc/91/12/21/563911221.db2.gz VMHSJYRLAJTEMA-MRXNPFEDSA-N 0 0 343.492 4.233 40 0 EIABRN CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1OC ZINC000032115156 563913573 /nfs/dbraw/zinc/91/35/73/563913573.db2.gz ABYPNTOYULOYBN-UHFFFAOYSA-N 0 0 326.396 4.076 40 0 EIABRN O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1cccs1 ZINC000032469697 563913798 /nfs/dbraw/zinc/91/37/98/563913798.db2.gz FFXJJQIWUIADII-UHFFFAOYSA-N 0 0 345.445 4.019 40 0 EIABRN Cc1cccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1C ZINC000032487585 563913810 /nfs/dbraw/zinc/91/38/10/563913810.db2.gz HVSAJLMMUTZTEZ-SJLPKXTDSA-N 0 0 325.452 4.208 40 0 EIABRN CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000033663105 563916354 /nfs/dbraw/zinc/91/63/54/563916354.db2.gz OFTICNZMXFVMTC-UHFFFAOYSA-N 0 0 346.239 4.231 40 0 EIABRN CC(C)Oc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000078540038 563921702 /nfs/dbraw/zinc/92/17/02/563921702.db2.gz XNQLVUDZQRDMSU-UHFFFAOYSA-N 0 0 334.213 4.489 40 0 EIABRN COc1ccc2oc(=O)c(C(=O)Nc3ccc(C(C)C)cc3)cc2c1 ZINC000040949246 563923984 /nfs/dbraw/zinc/92/39/84/563923984.db2.gz RAHSJYAOIFYUON-UHFFFAOYSA-N 0 0 337.375 4.177 40 0 EIABRN O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)cc1 ZINC000041184929 563924378 /nfs/dbraw/zinc/92/43/78/563924378.db2.gz ZQCQWAOLELFXSA-UHFFFAOYSA-N 0 0 345.761 4.100 40 0 EIABRN CCOc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1 ZINC000044239637 563926363 /nfs/dbraw/zinc/92/63/63/563926363.db2.gz BTJLOFUDEVYNPC-UHFFFAOYSA-N 0 0 344.480 4.359 40 0 EIABRN CC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)c(C)c1 ZINC000044856568 563927272 /nfs/dbraw/zinc/92/72/72/563927272.db2.gz 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563966396 /nfs/dbraw/zinc/96/63/96/563966396.db2.gz PAHVYNYCXSEDFD-UHFFFAOYSA-N 0 0 326.375 4.315 40 0 EIABRN Cc1cc(C=O)cc(C)c1OC(=O)c1ccccc1Br ZINC000256050576 563971822 /nfs/dbraw/zinc/97/18/22/563971822.db2.gz FPOLVXYIKSDWMR-UHFFFAOYSA-N 0 0 333.181 4.098 40 0 EIABRN O=C(c1cccc(F)c1)N1CCC2(CNc3ccc(Cl)cc32)CC1 ZINC000096088551 563979164 /nfs/dbraw/zinc/97/91/64/563979164.db2.gz SXJPWERKQRADCL-UHFFFAOYSA-N 0 0 344.817 4.079 40 0 EIABRN CCCNC(=O)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 ZINC000096154787 563979780 /nfs/dbraw/zinc/97/97/80/563979780.db2.gz DCTQAXXTSQLDAQ-UHFFFAOYSA-N 0 0 336.439 4.058 40 0 EIABRN Cc1cc(NC(=O)CCc2ccccc2F)ccc1Br ZINC000096656056 563980931 /nfs/dbraw/zinc/98/09/31/563980931.db2.gz WESYIKOVMAFXLZ-UHFFFAOYSA-N 0 0 336.204 4.468 40 0 EIABRN COc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C ZINC000096659455 563980960 /nfs/dbraw/zinc/98/09/60/563980960.db2.gz FKWMSLZBCGAINI-UHFFFAOYSA-N 0 0 339.844 4.075 40 0 EIABRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c(C)c1 ZINC000096659587 563980970 /nfs/dbraw/zinc/98/09/70/563980970.db2.gz OPEHJOQKLGXKCQ-UHFFFAOYSA-N 0 0 333.453 4.200 40 0 EIABRN COc1cc(NC(=O)c2ccccc2OC(C)C)c(OC)cc1Cl ZINC000105941516 563983862 /nfs/dbraw/zinc/98/38/62/563983862.db2.gz MFZFJXRXOYASAC-UHFFFAOYSA-N 0 0 349.814 4.397 40 0 EIABRN CCN(C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072212711 563984489 /nfs/dbraw/zinc/98/44/89/563984489.db2.gz PWAHZEUKGNUMSA-SFHVURJKSA-N 0 0 339.439 4.011 40 0 EIABRN CC[C@H](C)Nc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000072213578 563984578 /nfs/dbraw/zinc/98/45/78/563984578.db2.gz DYFLAPOKGGZJSL-AWEZNQCLSA-N 0 0 349.475 4.170 40 0 EIABRN O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216050 563985516 /nfs/dbraw/zinc/98/55/16/563985516.db2.gz REBOWGNXDPROHR-IBGZPJMESA-N 0 0 335.451 4.049 40 0 EIABRN CSc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072216876 563985573 /nfs/dbraw/zinc/98/55/73/563985573.db2.gz PVTYSBJXDGBWJZ-INIZCTEOSA-N 0 0 328.437 4.277 40 0 EIABRN O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216710 563985584 /nfs/dbraw/zinc/98/55/84/563985584.db2.gz KQNIOJSIHMRBHQ-FQEVSTJZSA-N 0 0 349.478 4.439 40 0 EIABRN Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218857 563985684 /nfs/dbraw/zinc/98/56/84/563985684.db2.gz NZPYRXQKQOKJJR-INIZCTEOSA-N 0 0 331.460 4.062 40 0 EIABRN CCOc1cc(-c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)ccc1O ZINC000085384660 563986266 /nfs/dbraw/zinc/98/62/66/563986266.db2.gz DWFUYKHJWAEHJS-UHFFFAOYSA-N 0 0 349.312 4.262 40 0 EIABRN CC(C)C[C@H](O)c1scc(Br)c1Br ZINC000085390763 563986294 /nfs/dbraw/zinc/98/62/94/563986294.db2.gz XDFWXMKLZHNXQZ-ZETCQYMHSA-N 0 0 328.069 4.353 40 0 EIABRN COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccccc1 ZINC000085397492 563986318 /nfs/dbraw/zinc/98/63/18/563986318.db2.gz GLUDMWNLWIKIIT-UHFFFAOYSA-N 0 0 339.416 4.484 40 0 EIABRN CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC000113945587 563990387 /nfs/dbraw/zinc/99/03/87/563990387.db2.gz MSQOIOLWZFZHIM-AWEZNQCLSA-N 0 0 347.842 4.211 40 0 EIABRN COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 ZINC000113953970 563990442 /nfs/dbraw/zinc/99/04/42/563990442.db2.gz FVKKDLAOUCTIAV-AWEZNQCLSA-N 0 0 341.407 4.003 40 0 EIABRN CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 ZINC000113953987 563990448 /nfs/dbraw/zinc/99/04/48/563990448.db2.gz NAAOLZJZDLGGDQ-INIZCTEOSA-N 0 0 327.424 4.417 40 0 EIABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000113960156 563990568 /nfs/dbraw/zinc/99/05/68/563990568.db2.gz OYPGXKKVBHOLPP-ZWKOTPCHSA-N 0 0 345.414 4.259 40 0 EIABRN CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccc(C)cc1C ZINC000113970014 563990668 /nfs/dbraw/zinc/99/06/68/563990668.db2.gz AORIMYRHYKWPGM-GOSISDBHSA-N 0 0 341.451 4.176 40 0 EIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000113970236 563990699 /nfs/dbraw/zinc/99/06/99/563990699.db2.gz YPBVHLVTGIMCRP-MAUKXSAKSA-N 0 0 329.415 4.477 40 0 EIABRN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)sc2n1 ZINC000000303489 563990868 /nfs/dbraw/zinc/99/08/68/563990868.db2.gz 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