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/nfs/dbraw/zinc/63/92/31/439639231.db2.gz NROFKTQHCKSIRB-SFHVURJKSA-N 0 0 343.383 0.968 40 0 ECABRN CN([C@@H]1COC[C@@H](O)[C@H]1O)S(=O)(=O)c1cccc2ccccc21 ZINC000585292098 439641095 /nfs/dbraw/zinc/64/10/95/439641095.db2.gz XETFAHBXNYMYDU-FMKPAKJESA-N 0 0 337.397 0.581 40 0 ECABRN CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000585289068 439641601 /nfs/dbraw/zinc/64/16/01/439641601.db2.gz CSYXYUOVPOAIQL-LZYNDVPASA-N 0 0 348.447 0.506 40 0 ECABRN CO[C@@H]1COC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2)[C@@H]1OC ZINC000585291171 439642255 /nfs/dbraw/zinc/64/22/55/439642255.db2.gz MOWMCLODFAUKSB-MCIONIFRSA-N 0 0 333.381 0.875 40 0 ECABRN Cn1cnc2c1C[C@H](COCc1ccccn1)N(S(C)(=O)=O)C2 ZINC000585094623 439627176 /nfs/dbraw/zinc/62/71/76/439627176.db2.gz FTSOXHLCDVRYEN-CYBMUJFWSA-N 0 0 336.417 0.718 40 0 ECABRN COCC(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2cscn2)C1 ZINC000585095233 439627510 /nfs/dbraw/zinc/62/75/10/439627510.db2.gz LMPKSEWRIBSAEN-NSHDSACASA-N 0 0 335.389 0.299 40 0 ECABRN COCCN1CC[C@@]2(CN(C(=O)C3CC(O)C3)CC(F)(F)C2)C1=O ZINC000585093497 439627698 /nfs/dbraw/zinc/62/76/98/439627698.db2.gz ZYQKXMJQOSWNNL-KOHJWAIASA-N 0 0 346.374 0.490 40 0 ECABRN Cn1cnc2c1C[C@@H](COCc1ccccn1)N(S(C)(=O)=O)C2 ZINC000585094624 439627904 /nfs/dbraw/zinc/62/79/04/439627904.db2.gz FTSOXHLCDVRYEN-ZDUSSCGKSA-N 0 0 336.417 0.718 40 0 ECABRN CC(=O)N[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)OC[C@]1(C)O ZINC000257258353 534650378 /nfs/dbraw/zinc/65/03/78/534650378.db2.gz KTMACZDQLVESAO-HOCLYGCPSA-N 0 0 348.403 0.127 40 0 ECABRN COCC(=O)N1CC[C@@H]2O[C@@H](COCCN3CCOCC3)CC[C@@H]21 ZINC000096186731 522751059 /nfs/dbraw/zinc/75/10/59/522751059.db2.gz GRJYJWKDJUWLBY-PMPSAXMXSA-N 0 0 342.436 0.130 40 0 ECABRN CCS(=O)(=O)CCN1CC2(C1)C[C@@H](Oc1cnccn1)CCO2 ZINC000253494464 535627959 /nfs/dbraw/zinc/62/79/59/535627959.db2.gz XOYSUZDASFLCJM-ZDUSSCGKSA-N 0 0 341.433 0.524 40 0 ECABRN CN1C(=O)CCC[C@@H]2[C@H]1CCCN2S(=O)(=O)N1CCOCC1 ZINC000257275390 536307153 /nfs/dbraw/zinc/30/71/53/536307153.db2.gz NPEPHFXCJWSMOK-CHWSQXEVSA-N 0 0 331.438 0.039 40 0 ECABRN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C[C@H](C)O[C@@H](C)C1 ZINC000195547062 545914395 /nfs/dbraw/zinc/91/43/95/545914395.db2.gz MIPOOJBGTJORPV-SDDRHHMPSA-N 0 0 341.433 0.770 40 0 ECABRN CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1F ZINC000224909367 564043898 /nfs/dbraw/zinc/04/38/98/564043898.db2.gz VVTYVDNHRLGZCE-ZDUSSCGKSA-N 0 0 344.408 0.883 40 0 ECABRN CC(=O)O[C@H](C)CN(C[C@@H](C)OC(C)=O)C(=O)[C@@H](C)OC(C)=O ZINC000004428329 210192703 /nfs/dbraw/zinc/19/27/03/210192703.db2.gz UOMOZUONHGGTET-GMTAPVOTSA-N 0 0 331.365 0.670 40 0 ECABRN CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000100775360 219106675 /nfs/dbraw/zinc/10/66/75/219106675.db2.gz VRWZLFVPHZTUAR-YHQUGGNUSA-N 0 0 341.452 0.872 40 0 ECABRN CC(=O)N1CCN(c2c(=O)c(=O)c2NC[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000101442261 219127535 /nfs/dbraw/zinc/12/75/35/219127535.db2.gz KHQUHRQRJAJDGS-HZSPNIEDSA-N 0 0 329.400 0.575 40 0 ECABRN CCN1C(=O)C[C@@H](SCCS[C@@H]2CC(=O)N(CC)C2=O)C1=O ZINC000104089098 219345698 /nfs/dbraw/zinc/34/56/98/219345698.db2.gz OYTQLQOVGFPSDN-NXEZZACHSA-N 0 0 344.458 0.748 40 0 ECABRN Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc3c(c1)OCCO3)C(=O)N2 ZINC000040386812 213295582 /nfs/dbraw/zinc/29/55/82/213295582.db2.gz JMJODZXWJNFQKA-JTQLQIEISA-N 0 0 343.343 0.955 40 0 ECABRN CN1CN=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2C1 ZINC000033839533 283185100 /nfs/dbraw/zinc/18/51/00/283185100.db2.gz KUDVUESRCAJTJL-WDZFZDKYSA-N 0 0 338.230 0.981 40 0 ECABRN CNC(=O)CO[C@H]1CO[C@]2(C1)CCCN(C(=O)c1cccn1C)C2 ZINC000096073558 283325212 /nfs/dbraw/zinc/32/52/12/283325212.db2.gz KQDLHQYTGLSYJK-DYVFJYSZSA-N 0 0 335.404 0.551 40 0 ECABRN C[C@H]1OC(=O)/C=C/[C@@H](O)[C@H](C)OC(=O)C[C@H](C)OC(=O)/C=C/[C@H]1O ZINC000035456033 291195138 /nfs/dbraw/zinc/19/51/38/291195138.db2.gz MJMMUATWVTYSFD-VQUNNAKDSA-N 0 0 342.344 0.019 40 0 biogenic,in-vitro ECABRN CCOC(=O)[C@H]1CCCN(C(=O)Cn2nc(C)c3cccn3c2=O)C1 ZINC000072346579 216159902 /nfs/dbraw/zinc/15/99/02/216159902.db2.gz POIUERRNWGYLST-ZDUSSCGKSA-N 0 0 346.387 0.606 40 0 ECABRN Cc1nonc1CNc1cc([C@@H]2CCN2S(C)(=O)=O)nc(C)n1 ZINC000072387671 216187261 /nfs/dbraw/zinc/18/72/61/216187261.db2.gz HBASQYYYLGDJRU-LBPRGKRZSA-N 0 0 338.393 0.795 40 0 ECABRN Cc1ccc(CN(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1 ZINC000225788293 242035631 /nfs/dbraw/zinc/03/56/31/242035631.db2.gz DDGXYYQHKDHQEB-UHFFFAOYSA-N 0 0 326.418 0.615 40 0 ECABRN CCCCNC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000243370072 243023749 /nfs/dbraw/zinc/02/37/49/243023749.db2.gz MDOBFMCMQZAOOT-UHFFFAOYSA-N 0 0 330.406 0.898 40 0 ECABRN NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000020798779 212172531 /nfs/dbraw/zinc/17/25/31/212172531.db2.gz CFMHBUFIVUIMGK-CYBMUJFWSA-N 0 0 337.326 0.794 40 0 ECABRN CCCCc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)c[nH]1 ZINC000257209234 244143245 /nfs/dbraw/zinc/14/32/45/244143245.db2.gz BPNGNNIGLCAGFK-HUUCEWRRSA-N 0 0 344.419 0.517 40 0 ECABRN Cc1nc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCOCC4)C3)ccc2[nH]1 ZINC000257210159 244145374 /nfs/dbraw/zinc/14/53/74/244145374.db2.gz BTLBZHJPJLYCGF-HZPDHXFCSA-N 0 0 330.388 0.389 40 0 ECABRN CN(C)S(=O)(=O)N1CCC[C@H]1c1cnc(-c2ccnn2C)cn1 ZINC000257212402 244154291 /nfs/dbraw/zinc/15/42/91/244154291.db2.gz CDGKJPCGKCFQNC-AWEZNQCLSA-N 0 0 336.421 0.820 40 0 ECABRN CCn1cc(C(=O)NC[C@@]2(O)CCN(c3cc(C)ncn3)C2)cn1 ZINC000257219498 244176771 /nfs/dbraw/zinc/17/67/71/244176771.db2.gz DGZUTKLPAQXNON-INIZCTEOSA-N 0 0 330.392 0.373 40 0 ECABRN Cc1c[nH]c([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)n1 ZINC000257214097 244161518 /nfs/dbraw/zinc/16/15/18/244161518.db2.gz CKMSPNKVPGQEGQ-CYBMUJFWSA-N 0 0 328.438 0.515 40 0 ECABRN CC(=O)N1CCN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1C(=O)N(C)C ZINC000257214951 244162248 /nfs/dbraw/zinc/16/22/48/244162248.db2.gz COBLDALMAOLDCJ-HNNXBMFYSA-N 0 0 349.435 0.107 40 0 ECABRN COCc1c(C)onc1C(=O)N1CCO[C@@H](c2nccnc2N)C1 ZINC000257222639 244187119 /nfs/dbraw/zinc/18/71/19/244187119.db2.gz DUDQOJAVTORLMG-LLVKDONJSA-N 0 0 333.348 0.715 40 0 ECABRN COCCN1CCN(C(=O)c2ccc(-c3cncnc3)nc2)CC1 ZINC000257223198 244191843 /nfs/dbraw/zinc/19/18/43/244191843.db2.gz DWIIHRXZIXBMMZ-UHFFFAOYSA-N 0 0 327.388 0.943 40 0 ECABRN CCn1nc(C2CC2)cc1C(=O)N1C[C@@H](O)[C@H](N2CCN(C)CC2)C1 ZINC000257224340 244194434 /nfs/dbraw/zinc/19/44/34/244194434.db2.gz FBKCVRSPZCTYLS-IAGOWNOFSA-N 0 0 347.463 0.213 40 0 ECABRN Cn1cnc(S(=O)(=O)N2CCOC[C@@H]2CCc2cnccn2)c1 ZINC000257226171 244201772 /nfs/dbraw/zinc/20/17/72/244201772.db2.gz FJLMYJBJMCXZRV-ZDUSSCGKSA-N 0 0 337.405 0.232 40 0 ECABRN CCOC(=O)CN1CC2=C(C1=O)[C@H](c1ccc(OC)cc1)NC(=O)N2 ZINC000020213871 212112400 /nfs/dbraw/zinc/11/24/00/212112400.db2.gz HDSHWOAMZWQMPR-HNNXBMFYSA-N 0 0 345.355 0.709 40 0 ECABRN C[C@]1(C(=O)NCCc2ccc(F)cc2)CN(S(C)(=O)=O)CCO1 ZINC000257221316 244184353 /nfs/dbraw/zinc/18/43/53/244184353.db2.gz DOLMPZFYMLWWBV-OAHLLOKOSA-N 0 0 344.408 0.535 40 0 ECABRN CNc1nccnc1[C@@H]1CN(S(=O)(=O)c2cccnc2)CCO1 ZINC000257234957 244226074 /nfs/dbraw/zinc/22/60/74/244226074.db2.gz GVUCFFAHYATTKN-LBPRGKRZSA-N 0 0 335.389 0.676 40 0 ECABRN CNC(=O)[C@@H]1CN(C(C)=O)CCN1C(=O)CCOc1ccccc1 ZINC000257249377 244265220 /nfs/dbraw/zinc/26/52/20/244265220.db2.gz JIAAHJSBSVBDQI-HNNXBMFYSA-N 0 0 333.388 0.261 40 0 ECABRN Cc1nonc1CC(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1 ZINC000257250684 244268153 /nfs/dbraw/zinc/26/81/53/244268153.db2.gz JNNQPZYPCOGJFH-CQSZACIVSA-N 0 0 331.376 0.879 40 0 ECABRN Cc1cncc(C(=O)N(C)C[C@@]2(O)CCN(c3cnccn3)C2)c1 ZINC000257250782 244268679 /nfs/dbraw/zinc/26/86/79/244268679.db2.gz JNZBPKIYXKVVDR-KRWDZBQOSA-N 0 0 327.388 0.893 40 0 ECABRN CNc1cc([C@H]2CCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)ccn1 ZINC000257258458 244290707 /nfs/dbraw/zinc/29/07/07/244290707.db2.gz KTZPRYLWXVSXGV-GFCCVEGCSA-N 0 0 343.387 0.498 40 0 ECABRN CC(=O)N1CCN(C[C@@]2(O)CCN(C(=O)c3ccccc3F)C2)CC1 ZINC000257260342 244293382 /nfs/dbraw/zinc/29/33/82/244293382.db2.gz LCLHQYKKHOQIML-SFHVURJKSA-N 0 0 349.406 0.567 40 0 ECABRN CC(=O)N1CCN([C@@H]2CN(C(=O)Cc3ccccc3C)C[C@H]2O)CC1 ZINC000257266136 244362117 /nfs/dbraw/zinc/36/21/17/244362117.db2.gz MBTDARVDUHONQM-QZTJIDSGSA-N 0 0 345.443 0.273 40 0 ECABRN CN(C)S(=O)(=O)N1CCC[C@H]1c1nccnc1-c1nccn1C ZINC000257268635 244369091 /nfs/dbraw/zinc/36/90/91/244369091.db2.gz MMNOJOSILNLUFH-NSHDSACASA-N 0 0 336.421 0.820 40 0 ECABRN CCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000020033511 212095751 /nfs/dbraw/zinc/09/57/51/212095751.db2.gz JRBPQOPIGHFBEZ-UHFFFAOYSA-N 0 0 348.446 0.147 40 0 ECABRN CC(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)C[C@H]1C(=O)N(C)C ZINC000257263588 244356319 /nfs/dbraw/zinc/35/63/19/244356319.db2.gz LQQZJXUGBOTVQA-INIZCTEOSA-N 0 0 346.431 0.514 40 0 ECABRN Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3cnccn3)C2)cn1 ZINC000257272929 244384428 /nfs/dbraw/zinc/38/44/28/244384428.db2.gz NELBCLSPJKYTDU-KRWDZBQOSA-N 0 0 327.388 0.893 40 0 ECABRN Cc1ncsc1C(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000257273658 244386346 /nfs/dbraw/zinc/38/63/46/244386346.db2.gz NHPRTCQREFZWOF-OAHLLOKOSA-N 0 0 333.417 0.955 40 0 ECABRN CCc1nccn1CC(=O)N1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257276611 244394533 /nfs/dbraw/zinc/39/45/33/244394533.db2.gz NUMFQSDOIRGKFJ-CYBMUJFWSA-N 0 0 331.376 0.850 40 0 ECABRN CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3ncoc3C)C2)ncn1 ZINC000257278360 244399232 /nfs/dbraw/zinc/39/92/32/244399232.db2.gz OBYKBSZWNQJASK-INIZCTEOSA-N 0 0 346.391 0.528 40 0 ECABRN O=C(Nc1ccc(NC(=O)Nn2cnnc2)cc1)Nn1cnnc1 ZINC000016428467 211902827 /nfs/dbraw/zinc/90/28/27/211902827.db2.gz NYTPPLSPIXZDPX-UHFFFAOYSA-N 0 0 328.296 0.421 40 0 ECABRN COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@H]2O1 ZINC000012380073 211361652 /nfs/dbraw/zinc/36/16/52/211361652.db2.gz BPDYHHRWWLUABH-XSWJXKHESA-N 0 0 343.335 0.703 40 0 ECABRN CS(=O)(=O)c1snnc1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000012121397 211299085 /nfs/dbraw/zinc/29/90/85/211299085.db2.gz GTBMWSRMVQYMSV-SNVBAGLBSA-N 0 0 345.446 0.827 40 0 ECABRN CCOC(=O)[C@H]1[C@H](c2cccnc2)NC(=O)N[C@@]1(O)C(F)(F)F 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